A0A087WRI8_MOUSE Loading...

Uncharacterized protein C19orf47 homolog

AlphaFold DB , UniProt , Accession A0A087WRI8, Species MOUSE (Mus musculus, Mouse), Gene 2310022A10Rik, Length 397 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
1M37.2Very low44.2Very low248 Ų248164.3 Ų164.3100%1.22285%0.849SS**  01260-55.8-59-166.800107.5
2G36.5Very low43.9Very low74 Ų74163 Ų16376%0.76384%0.844SS**  cis-167.5159.9-6.800000110.1
3F40.9Very low44.6Very low203 Ų203161.5 Ų161.589%0.8984%0.837SS**  trans-75.9151.5179-71.8-104.4000112.5
4R44.2Very low44.6Very low220 Ų220167.5 Ų167.583%0.8384%0.844SS**  174.2142.9113.6-95.2173.7-134.7-1005.2113.3
5I49.5Very low45Very low158 Ų158167.9 Ų167.981%0.8184%0.838SS**  trans49.5126.8141.6-51.9161.8000117.4
6G39.9Very low45.3Very low64 Ų64161.8 Ų161.866%0.6682%0.822SS**  cis135.3156.71.500000111.2
7E51.6Low45.6Very low201 Ų201159.1 Ų159.194%0.93982%0.818SS**  trans-163.6162.2157.8-121.5172.5-147.100112.5
8N43.5Very low46Very low152 Ų152153.4 Ų153.481%0.81380%0.804SS**  trans-105115.4-166.1-64.5-85.5000112.6L10N8-L10 PolarHBondContact O-N 3.28Å
9L48.4Very low46.4Very low189 Ų189149.7 Ų149.799%0.9979%0.792SS**  trans-91.177.3168.3-97.3165.1000111.2
10L47.4Very low46.7Very low130 Ų130150.9 Ų150.968%0.68179%0.785SS**  trans-113127.6178.9-156.576.7000110.7N8N8-L10 PolarHBondContact O-N 3.28Å
11F47.5Very low47.2Very low168 Ų168148.7 Ų148.774%0.73778%0.779SS**  trans64.9135.6-178.7-56.4-76.7000115.4
12N39.7Very low48.1Very low149 Ų149144.7 Ų144.780%0.79775%0.754SS**  -151.6137.554.1-97.5-82.7000115.6R14N12-R14 PolarHBondContact O-N 3.29Å
13L53Low49.2Very low144 Ų144143.1 Ų143.175%0.75473%0.734SS**  trans-8293.5177.1179.870.3000111.5K15L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 2.85Å
14R44.4Very low50.1Low245 Ų245140.3 Ų140.393%0.92572%0.718SS**  trans-72.580.1172.1-77.1-166.8173.7-162.2-0.3112.1N12 A16N12-R14 PolarHBondContact O-N 3.29Å; R14-A16 PolarHBondContact O-N 3.37Å
15K51.1Low50.9Low174 Ų174137.9 Ų137.976%0.75771%0.713SS**  trans-66.995.5176.9-167.487.8173.7-172.50111.4L13L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 2.85Å
16A49.4Very low51.5Low70 Ų70133.9 Ų133.958%0.57970%0.696SS**  trans-61123.6179.200000112.5R14 G18R14-A16 PolarHBondContact O-N 3.37Å; A16-G18 PolarHBondContact O-N 3.07Å
17P51.5Low52.6Low116 Ų116136.3 Ų136.375%0.75369%0.692SS**THydrogen-bonded Turntrans-69.9-28.7-170.224.6-33.4000114.3S19 R20P17-S19 VanDerWaalsContact C-N 3.27Å; P17-S19 PolarHBondContact O-N 3.4Å; P17-R20 PolarHBondContact O-N 3.25Å
18G51.4Low53.2Low56 Ų56131 Ų13158%0.57767%0.672SS**Hα-helixtrans-63.1-26.9-177.700000115A16 R20A16-G18 PolarHBondContact O-N 3.07Å; G18-R20 PolarHBondContact O-N 3.41Å
19S54.9Low54.4Low83 Ų83127.1 Ų127.158%0.5866%0.657SS**Hα-helixtrans-58.9-44.7179.1169.60000112.3P17 V21 K22 A23P17-S19 VanDerWaalsContact C-N 3.27Å; P17-S19 PolarHBondContact O-N 3.4Å; S19-V21 VanDerWaalsContact C-N 3.31Å; S19-V21 PolarHBondContact O-N 3.31Å; S19-K22 PolarHBondContact O-N 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.39Å; S19-A23 PolarHBondContact O-N 3.18Å
20R52.6Low55.8Low173 Ų173121.2 Ų121.265%0.65363%0.629SS**Hα-helixtrans-67.2-30.4-169.6-155.3179.2-163.6-176.85.3112.8P17 G18 R24P17-R20 PolarHBondContact O-N 3.25Å; G18-R20 PolarHBondContact O-N 3.41Å; R20-R24 WeakPolarHBondContact O-CB 3.17Å; R20-R24 WeakPolarHBondContact O-CD 3.42Å; R20-R24 WeakPolarHBondContact O-CG 3.32Å; R20-R24 PolarHBondContact O-N 2.95Å; R20-R24 VanDerWaalsContact O-N 3.16Å
21V56.4Low57.4Low106 Ų106118.8 Ų118.864%0.64262%0.62SS**Hα-helixtrans-77.6-44.4178.1-176.60000110.8S19 R24 K25S19-V21 VanDerWaalsContact C-N 3.31Å; S19-V21 PolarHBondContact O-N 3.31Å; V21-R24 PolarHBondContact O-N 2.92Å; V21-K25 PolarHBondContact O-N 3.31Å
22K57.1Low59.1Low163 Ų163115.9 Ų115.971%0.70961%0.61SS**Hα-helixtrans-65.6-43.5178.6-160168.6-175.5177.20111.3S19 R24 K25 T26S19-K22 PolarHBondContact O-N 3.28Å; K22-R24 PolarHBondContact O-N 3.16Å; K22-K25 PolarHBondContact O-N 2.98Å; K22-T26 PolarHBondContact O-N 3.33Å; K22-T26 PolarHBondContact O-OG1 2.93Å
23A59Low61.2Low41 Ų41110.4 Ų110.434%0.33959%0.585SS.*Hα-helixtrans-61.9-38.7174.100000113.1S19 T26 M27S19-A23 WeakPolarHBondContact O-CB 3.39Å; S19-A23 PolarHBondContact O-N 3.18Å; A23-T26 WeakPolarHBondContact CA-OG1 3.33Å; A23-T26 PolarHBondContact O-OG1 3.22Å; A23-M27 WeakPolarHBondContact O-CB 3.38Å; A23-M27 WeakPolarHBondContact O-CG 3.44Å; A23-M27 PolarHBondContact O-N 3.46Å
24R59.3Low63Low145 Ų145104.3 Ų104.355%0.54755%0.554SS.*Hα-helixtrans-64.2-43.7172.2-81.1171.5171-171.9-6.1111.8R20 V21 K22 M27 V28R20-R24 WeakPolarHBondContact O-CB 3.17Å; R20-R24 WeakPolarHBondContact O-CD 3.42Å; R20-R24 WeakPolarHBondContact O-CG 3.32Å; R20-R24 PolarHBondContact O-N 2.95Å; R20-R24 VanDerWaalsContact O-N 3.16Å; V21-R24 PolarHBondContact O-N 2.92Å; K22-R24 PolarHBondContact O-N 3.16Å; R24-M27 HydrophobicContact CG-CE 4.39Å; R24-M27 PolarHBondContact O-N 2.94Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 3.4Å
25K61.5Low65.2Low168 Ų16895.2 Ų95.273%0.7353%0.528SS*.Hα-helixtrans-65.8-39.3179.5-169.1164.9-178.4172.60112.1V21 K22 V28 S29V21-K25 PolarHBondContact O-N 3.31Å; K22-K25 PolarHBondContact O-N 2.98Å; K25-V28 PolarHBondContact O-N 3.04Å; K25-S29 PolarHBondContact O-N 2.9Å; K25-S29 PolarHBondContact O-OG 3.05Å
26T62.8Low67.3Low75 Ų7591.7 Ų91.746%0.4651%0.514SS..Hα-helixtrans-68.6-41.3174.653.20000112.4K22 A23 V28 S29 V30K22-T26 PolarHBondContact O-N 3.33Å; K22-T26 PolarHBondContact O-OG1 2.93Å; A23-T26 WeakPolarHBondContact CA-OG1 3.33Å; A23-T26 PolarHBondContact O-OG1 3.22Å; T26-V28 VanDerWaalsContact C-N 3.33Å; T26-V28 PolarHBondContact O-N 3.17Å; T26-S29 WeakPolarHBondContact CA-OG 3.32Å; T26-S29 PolarHBondContact O-N 3.32Å; T26-S29 PolarHBondContact O-OG 2.98Å; T26-V30 WeakPolarHBondContact O-CG2 3.36Å; T26-V30 PolarHBondContact O-N 3.28Å
27M62.3Low69.5Low115 Ų11589.1 Ų89.157%0.56749%0.489SS*.Hα-helixtrans-61.9-39.4173.8-75.4-172.9-62.500112.1A23 R24 V30 T31A23-M27 WeakPolarHBondContact O-CB 3.38Å; A23-M27 WeakPolarHBondContact O-CG 3.44Å; A23-M27 PolarHBondContact O-N 3.46Å; R24-M27 HydrophobicContact CG-CE 4.39Å; R24-M27 PolarHBondContact O-N 2.94Å; M27-V30 PolarHBondContact O-N 3.23Å; M27-T31 WeakPolarHBondContact O-CG2 3.32Å; M27-T31 PolarHBondContact O-N 3.45Å; M27-T31 PolarHBondContact O-OG1 3.09Å
28V63.5Low71.6Confident88 Ų8885.9 Ų85.953%0.53347%0.465SS..Hα-helixtrans-66.6-40.6176.1169.90000112R24 K25 T26 V30 T31 M32R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 3.4Å; K25-V28 PolarHBondContact O-N 3.04Å; T26-V28 VanDerWaalsContact C-N 3.33Å; T26-V28 PolarHBondContact O-N 3.17Å; V28-V30 VanDerWaalsContact C-N 3.31Å; V28-V30 PolarHBondContact O-N 3.45Å; V28-T31 PolarHBondContact O-N 3.46Å; V28-T31 PolarHBondContact O-OG1 3.45Å; V28-M32 VanDerWaalsContact O-CG 3.27Å; V28-M32 WeakPolarHBondContact O-CG 3.27Å; V28-M32 PolarHBondContact O-N 3.33Å; V28-M32 VanDerWaalsContact O-N 3.09Å
29S69.4Low73.7Confident71 Ų7186.8 Ų86.850%0.49745%0.454SS..Hα-helixtrans-65.2-35.3173.948.90000112.6K25 T26 A33K25-S29 PolarHBondContact O-N 2.9Å; K25-S29 PolarHBondContact O-OG 3.05Å; T26-S29 WeakPolarHBondContact CA-OG 3.32Å; T26-S29 PolarHBondContact O-N 3.32Å; T26-S29 PolarHBondContact O-OG 2.98Å; S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 2.85Å; S29-A33 VanDerWaalsContact O-N 3.1Å
30V78.3Confident75.6Confident66 Ų6683.6 Ų83.640%0.443%0.43SS..Hα-helixtrans-65.5-50.7174.1167.90000110.6T26 M27 V28 M32 A33 T34 V59T26-V30 WeakPolarHBondContact O-CG2 3.36Å; T26-V30 PolarHBondContact O-N 3.28Å; M27-V30 PolarHBondContact O-N 3.23Å; V28-V30 VanDerWaalsContact C-N 3.31Å; V28-V30 PolarHBondContact O-N 3.45Å; V30-M32 VanDerWaalsContact C-N 3.29Å; V30-M32 PolarHBondContact O-N 2.99Å; V30-A33 PolarHBondContact O-N 2.84Å; V30-A33 VanDerWaalsContact O-N 3.12Å; V30-T34 PolarHBondContact O-N 3.02Å; V30-T34 PolarHBondContact O-OG1 3.3Å; V30-V59 HydrophobicContact CG1-CG1 4.27Å
31T79.8Confident77.7Confident78 Ų7875.3 Ų75.348%0.47940%0.399SS..Hα-helixtrans-63.7-32.4-178.556.40000113.3M27 V28 S35M27-T31 WeakPolarHBondContact O-CG2 3.32Å; M27-T31 PolarHBondContact O-N 3.45Å; M27-T31 PolarHBondContact O-OG1 3.09Å; V28-T31 PolarHBondContact O-N 3.46Å; V28-T31 PolarHBondContact O-OG1 3.45Å; T31-S35 WeakPolarHBondContact O-CB 3.4Å; T31-S35 PolarHBondContact O-N 3.1Å
32M82.9Confident79.6Confident108 Ų10876.1 Ų76.153%0.53239%0.394SS..Hα-helixtrans-65.3-50.2171-66-6693.800111.4V28 V30 T34 S35 E36V28-M32 VanDerWaalsContact O-CG 3.27Å; V28-M32 WeakPolarHBondContact O-CG 3.27Å; V28-M32 PolarHBondContact O-N 3.33Å; V28-M32 VanDerWaalsContact O-N 3.09Å; V30-M32 VanDerWaalsContact C-N 3.29Å; V30-M32 PolarHBondContact O-N 2.99Å; M32-T34 PolarHBondContact O-N 3.12Å; M32-S35 WeakPolarHBondContact O-CB 3.42Å; M32-S35 PolarHBondContact O-N 3.36Å; M32-S35 PolarHBondContact O-OG 3.08Å; M32-E36 PolarHBondContact O-N 3.25Å; M32-E36 VanDerWaalsContact O-N 3.14Å
33A84.6Confident81.4Confident33 Ų3373.4 Ų73.427%0.27338%0.384SS..Hα-helixtrans-59.3-43.1177.200000112.5S29 V30 S35 E36 W37 V59S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 2.85Å; S29-A33 VanDerWaalsContact O-N 3.1Å; V30-A33 PolarHBondContact O-N 2.84Å; V30-A33 VanDerWaalsContact O-N 3.12Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.19Å; A33-E36 PolarHBondContact O-N 2.89Å; A33-W37 VanDerWaalsContact O-CD1 3.27Å; A33-W37 PolarHBondContact O-N 2.88Å; A33-V59 HydrophobicContact CB-CG2 3.96Å
34T90.8Very high83.1Confident16 Ų1672.4 Ų72.410%0.09838%0.375CS..Hα-helixtrans-61.6-37.9174.4-49.80000111.1V30 M32 E36 W37 I38 A55 V56V30-T34 PolarHBondContact O-N 3.02Å; V30-T34 PolarHBondContact O-OG1 3.3Å; M32-T34 PolarHBondContact O-N 3.12Å; T34-E36 PolarHBondContact O-N 3.25Å; T34-W37 PolarHBondContact O-N 3Å; T34-I38 HydrophobicContact CG2-CD1 4.01Å; T34-I38 HydrophobicContact CG2-CG1 4.42Å; T34-I38 VanDerWaalsContact O-CG1 3.27Å; T34-I38 WeakPolarHBondContact O-CG1 3.32Å; T34-I38 PolarHBondContact O-N 3.06Å; T34-A55 HydrophobicContact CG2-CB 3.74Å; T34-V56 HydrophobicContact CG2-CG2 3.98Å
35S91.6Very high84.8Confident54 Ų5468.4 Ų68.438%0.37838%0.379SS..Hα-helixtrans-66.4-34178.676.80000113.7T31 M32 A33 Q39T31-S35 WeakPolarHBondContact O-CB 3.4Å; T31-S35 PolarHBondContact O-N 3.1Å; M32-S35 WeakPolarHBondContact O-CB 3.42Å; M32-S35 PolarHBondContact O-N 3.36Å; M32-S35 PolarHBondContact O-OG 3.08Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.19Å; S35-Q39 PolarHBondContact O-N 2.82Å; S35-Q39 VanDerWaalsContact O-N 3.12Å
36E93.8Very high86.4Confident101 Ų10160.7 Ų60.747%0.47235%0.346SS..Hα-helixtrans-65.7-43.7172.6-67.4-172.9-140.600111.6M32 A33 T34 Q39 F40 K65M32-E36 PolarHBondContact O-N 3.25Å; M32-E36 VanDerWaalsContact O-N 3.14Å; A33-E36 PolarHBondContact O-N 2.89Å; T34-E36 PolarHBondContact O-N 3.25Å; E36-Q39 PolarHBondContact O-N 3.3Å; E36-F40 PolarHBondContact O-N 3.4Å; E36-K65 IonicContact OE2-NZ 2.66Å; E36-K65 PolarHBondContact OE2-NZ 3.31Å
37W95.4Very high87.9Confident15 Ų1560.6 Ų60.66%0.05735%0.346CS..Hα-helixtrans-66.9-38.3176.6-75.1115.5000112.6A33 T34 Q39 F40 F41 A55 F58 I63 K65 L68A33-W37 VanDerWaalsContact O-CD1 3.27Å; A33-W37 PolarHBondContact O-N 2.88Å; T34-W37 PolarHBondContact O-N 3Å; W37-Q39 VanDerWaalsContact C-N 3.29Å; W37-Q39 PolarHBondContact O-N 2.68Å; W37-F40 HydrophobicContact CE3-CB 4.2Å; W37-F40 AromaticContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CE1 4.42Å; W37-F40 HydrophobicContact CE3-CG 4.04Å; W37-F40 AromaticContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD2 4.4Å; W37-F40 HydrophobicContact CZ3-CE1 4.08Å; W37-F40 HydrophobicContact CZ3-CG 4.07Å; W37-F40 HydrophobicContact CZ3-CZ 4.43Å; W37-F40 WeakPolarHBondContact O-CB 3.35Å; W37-F40 PolarHBondContact O-N 3.29Å; W37-F41 HydrophobicContact CB-CE2 4.08Å; W37-F41 HydrophobicContact CE3-CE2 4.48Å; W37-F41 HydrophobicContact CE3-CZ 4.3Å; W37-F41 WeakPolarHBondContact O-CD2 3.48Å; W37-F41 WeakPolarHBondContact O-CG 3.29Å; W37-F41 PolarHBondContact O-N 2.61Å; W37-A55 HydrophobicContact CB-CB 3.6Å; W37-F58 HydrophobicContact CD2-CB 4.13Å; W37-F58 AromaticContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CG 4.46Å; W37-F58 AromaticContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CE1 4.21Å; W37-F58 HydrophobicContact CE3-CG 4.44Å; W37-F58 HydrophobicContact CG-CB 4.2Å; W37-F58 AromaticContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CE1 4.27Å; W37-F58 HydrophobicContact CZ2-CD1 4.14Å; W37-F58 AromaticContact CZ3-CD1 3.59Å; W37-F58 HydrophobicContact CZ3-CD1 3.59Å; W37-F58 AromaticContact CZ3-CE1 3.87Å; W37-F58 HydrophobicContact CZ3-CE1 3.87Å; W37-I63 HydrophobicContact CH2-CG2 4.28Å; W37-I63 HydrophobicContact CZ2-CG2 4.36Å; W37-I63 VanDerWaalsContact CZ2-O 3.3Å; W37-I63 WeakPolarHBondContact CZ2-O 3.39Å; W37-K65 HydrophobicContact CH2-CG 4.23Å; W37-K65 HydrophobicContact CZ2-CG 4.4Å; W37-L68 HydrophobicContact CH2-CD2 4.01Å; W37-L68 HydrophobicContact CH2-CG 4.49Å; W37-L68 HydrophobicContact CZ3-CD2 4Å
38I95.6Very high89.4Confident48 Ų4859.7 Ų59.725%0.24635%0.349CS..Hα-helixtrans-57.1-44171.8-71.2162.6000110.8T34 F41 K42 V52 A55T34-I38 HydrophobicContact CG2-CD1 4.01Å; T34-I38 HydrophobicContact CG2-CG1 4.42Å; T34-I38 VanDerWaalsContact O-CG1 3.27Å; T34-I38 WeakPolarHBondContact O-CG1 3.32Å; T34-I38 PolarHBondContact O-N 3.06Å; I38-F41 PolarHBondContact O-N 3.14Å; I38-K42 VanDerWaalsContact O-CB 3.28Å; I38-K42 WeakPolarHBondContact O-CB 3.27Å; I38-K42 PolarHBondContact O-N 3.47Å; I38-V52 HydrophobicContact CD1-CB 4.48Å; I38-V52 HydrophobicContact CD1-CG2 3.84Å; I38-V52 HydrophobicContact CG1-CG2 4.09Å; I38-A55 HydrophobicContact CB-CB 4.49Å; I38-A55 HydrophobicContact CG1-CB 3.58Å
39Q95.2Very high90.8Very high75 Ų7558.1 Ų58.135%0.3535%0.351SS..Hα-helixtrans-68.7-38.7178.8-177.562.323.900111.7S35 E36 W37 K42 E43S35-Q39 PolarHBondContact O-N 2.82Å; S35-Q39 VanDerWaalsContact O-N 3.12Å; E36-Q39 PolarHBondContact O-N 3.3Å; W37-Q39 VanDerWaalsContact C-N 3.29Å; W37-Q39 PolarHBondContact O-N 2.68Å; Q39-K42 PolarHBondContact O-N 3.04Å; Q39-E43 PolarHBondContact NE2-OE1 2.89Å; Q39-E43 WeakPolarHBondContact O-CB 3.21Å; Q39-E43 WeakPolarHBondContact O-CG 3.37Å; Q39-E43 PolarHBondContact O-N 3.4Å
40F95.6Very high92Very high16 Ų1657 Ų577%0.0734%0.342CS..Hα-helixtrans-58.3-47.3171.7171.7-89.3000112.3E36 W37 K42 E43 A44 L68 I90 H93 V97E36-F40 PolarHBondContact O-N 3.4Å; W37-F40 HydrophobicContact CE3-CB 4.2Å; W37-F40 AromaticContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CE1 4.42Å; W37-F40 HydrophobicContact CE3-CG 4.04Å; W37-F40 AromaticContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD2 4.4Å; W37-F40 HydrophobicContact CZ3-CE1 4.08Å; W37-F40 HydrophobicContact CZ3-CG 4.07Å; W37-F40 HydrophobicContact CZ3-CZ 4.43Å; W37-F40 WeakPolarHBondContact O-CB 3.35Å; W37-F40 PolarHBondContact O-N 3.29Å; F40-K42 PolarHBondContact O-N 2.87Å; F40-E43 PolarHBondContact O-N 3.23Å; F40-A44 PolarHBondContact O-N 3.25Å; F40-L68 HydrophobicContact CE1-CD2 4.33Å; F40-L68 HydrophobicContact CE2-CD1 3.71Å; F40-L68 HydrophobicContact CE2-CD2 3.98Å; F40-L68 HydrophobicContact CZ-CD1 4.2Å; F40-L68 HydrophobicContact CZ-CD2 3.61Å; F40-I90 HydrophobicContact CE1-CG2 4.31Å; F40-H93 AromaticContact CD2-CD2 3.44Å; F40-H93 VanDerWaalsContact CD2-CD2 3.44Å; F40-H93 WeakPolarHBondContact CD2-CD2 3.5Å; F40-H93 AromaticContact CD2-NE2 3.69Å; F40-H93 AromaticContact CE2-CD2 3.35Å; F40-H93 WeakPolarHBondContact CE2-CD2 3.49Å; F40-H93 AromaticContact CE2-NE2 3.99Å; F40-H93 AromaticContact CG-CD2 3.93Å; F40-H93 AromaticContact CZ-CD2 3.77Å; F40-H93 PolarHBondContact O-CD2 3.24Å; F40-H93 VanDerWaalsContact O-CD2 3.3Å; F40-H93 PolarHBondContact O-NE2 3.43Å; F40-V97 HydrophobicContact CD2-CG2 4.06Å; F40-V97 HydrophobicContact CE2-CB 4.34Å; F40-V97 HydrophobicContact CE2-CG2 3.86Å
41F96.3Very high92.9Very high0 Ų053.9 Ų53.90%032%0.323CS..Hα-helixtrans-67.7-35.8178.3-64.6-52.3000112.7W37 I38 A44 G45 I46 A51 A55 F58 I90W37-F41 HydrophobicContact CB-CE2 4.08Å; W37-F41 HydrophobicContact CE3-CE2 4.48Å; W37-F41 HydrophobicContact CE3-CZ 4.3Å; W37-F41 WeakPolarHBondContact O-CD2 3.48Å; W37-F41 WeakPolarHBondContact O-CG 3.29Å; W37-F41 PolarHBondContact O-N 2.61Å; I38-F41 PolarHBondContact O-N 3.14Å; F41-A44 WeakPolarHBondContact O-CB 3.36Å; F41-A44 PolarHBondContact O-N 3.15Å; F41-G45 PolarHBondContact O-N 3.17Å; F41-G45 VanDerWaalsContact O-N 3.16Å; F41-I46 HydrophobicContact CB-CB 4.26Å; F41-I46 HydrophobicContact CB-CD1 4.37Å; F41-I46 HydrophobicContact CD1-CD1 4.06Å; F41-I46 WeakPolarHBondContact O-CB 3.49Å; F41-I46 PolarHBondContact O-N 3.28Å; F41-A51 HydrophobicContact CB-CB 3.72Å; F41-A55 HydrophobicContact CD2-CB 4.17Å; F41-A55 HydrophobicContact CE2-CB 4.07Å; F41-F58 HydrophobicContact CE1-CE1 4.28Å; F41-F58 HydrophobicContact CE1-CE2 4.24Å; F41-F58 HydrophobicContact CE1-CZ 4.03Å; F41-F58 HydrophobicContact CE2-CD2 4.44Å; F41-F58 HydrophobicContact CE2-CG 4.39Å; F41-F58 AromaticContact CZ-CD1 3.86Å; F41-F58 HydrophobicContact CZ-CD1 3.86Å; F41-F58 AromaticContact CZ-CD2 3.71Å; F41-F58 HydrophobicContact CZ-CD2 3.71Å; F41-F58 AromaticContact CZ-CE1 3.85Å; F41-F58 HydrophobicContact CZ-CE1 3.85Å; F41-F58 AromaticContact CZ-CE2 3.7Å; F41-F58 HydrophobicContact CZ-CE2 3.7Å; F41-F58 AromaticContact CZ-CG 3.79Å; F41-F58 HydrophobicContact CZ-CG 3.79Å; F41-F58 AromaticContact CZ-CZ 3.77Å; F41-F58 HydrophobicContact CZ-CZ 3.77Å; F41-I90 HydrophobicContact CD1-CD1 3.88Å; F41-I90 HydrophobicContact CD1-CG1 3.7Å; F41-I90 HydrophobicContact CE1-CD1 3.56Å; F41-I90 HydrophobicContact CE1-CG1 3.63Å; F41-I90 HydrophobicContact CE1-CG2 4.43Å
42K95.9Very high93.6Very high122 Ų12253.5 Ų53.553%0.5332%0.32SS..Hα-helixtrans-65-37.4172.8175.3-179.8156.6-1510112.5I38 Q39 F40 G45I38-K42 VanDerWaalsContact O-CB 3.28Å; I38-K42 WeakPolarHBondContact O-CB 3.27Å; I38-K42 PolarHBondContact O-N 3.47Å; Q39-K42 PolarHBondContact O-N 3.04Å; F40-K42 PolarHBondContact O-N 2.87Å; K42-G45 PolarHBondContact O-N 3.22Å
43E95Very high94.2Very high107 Ų10752.7 Ų52.750%0.532%0.318SS..Hα-helixtrans-75.1-25.8173.5-73.8-178-149.500113.1Q39 F40 G45Q39-E43 PolarHBondContact NE2-OE1 2.89Å; Q39-E43 WeakPolarHBondContact O-CB 3.21Å; Q39-E43 WeakPolarHBondContact O-CG 3.37Å; Q39-E43 PolarHBondContact O-N 3.4Å; F40-E43 PolarHBondContact O-N 3.23Å; E43-G45 PolarHBondContact O-N 2.89Å
44A95.3Very high94.7Very high20 Ų2051.9 Ų51.917%0.16531%0.308CS..Hα-helixtrans-68.1-1916600000113.2F40 F41 A89 H93F40-A44 PolarHBondContact O-N 3.25Å; F41-A44 WeakPolarHBondContact O-CB 3.36Å; F41-A44 PolarHBondContact O-N 3.15Å; A44-A89 HydrophobicContact CB-CB 4.35Å; A44-H93 HydrophobicContact CB-CB 3.48Å; A44-H93 VanDerWaalsContact CB-CB 3.48Å
45G94.5Very high95Very high61 Ų6151.1 Ų51.163%0.62930%0.304SS*.THydrogen-bonded Turntrans98.89.3-179.400000115F41 K42 E43F41-G45 PolarHBondContact O-N 3.17Å; F41-G45 VanDerWaalsContact O-N 3.16Å; K42-G45 PolarHBondContact O-N 3.22Å; E43-G45 PolarHBondContact O-N 2.89Å
46I95.6Very high95.1Very high5 Ų551.2 Ų51.23%0.02630%0.302CS..  trans-74.5137.4177.8-62.4-178.8000109.8F41 P50 A51 Y54 D86 A89 I90F41-I46 HydrophobicContact CB-CB 4.26Å; F41-I46 HydrophobicContact CB-CD1 4.37Å; F41-I46 HydrophobicContact CD1-CD1 4.06Å; F41-I46 WeakPolarHBondContact O-CB 3.49Å; F41-I46 PolarHBondContact O-N 3.28Å; I46-P50 HydrophobicContact CG2-CB 4.17Å; I46-A51 HydrophobicContact CG2-CB 4.18Å; I46-Y54 HydrophobicContact CD1-CD2 4.28Å; I46-Y54 HydrophobicContact CD1-CE2 4.42Å; I46-Y54 HydrophobicContact CG2-CD2 4.24Å; I46-Y54 HydrophobicContact CG2-CE2 4.12Å; I46-D86 HydrophobicContact CD1-CB 3.68Å; I46-D86 HydrophobicContact CG1-CB 4.14Å; I46-A89 HydrophobicContact CD1-CB 4.47Å; I46-A89 HydrophobicContact CG1-CB 4.11Å; I46-I90 HydrophobicContact CD1-CD1 3.75Å; I46-I90 HydrophobicContact CD1-CG1 3.64Å
47P95.7Very high95.1Very high73 Ų7348.9 Ų48.947%0.47429%0.291SS..  trans-58.7146.8176.5-23.533.9000112.7G49 P50 A51P47-G49 PolarHBondContact O-N 3.37Å; P47-P50 WeakPolarHBondContact O-CD 3.37Å; P47-A51 WeakPolarHBondContact O-CB 3.3Å; P47-A51 PolarHBondContact O-N 3.03Å
48P93Very high95.1Very high97 Ų9748.2 Ų48.263%0.6329%0.289SS*.Hα-helixtrans-65.6-14.8-172.225.3-35000114.8V52P48-V52 WeakPolarHBondContact O-CG2 3.48Å
49G93.6Very high95.1Very high54 Ų5447.1 Ų47.156%0.55728%0.284SS*.Hα-helixtrans-69.4-69.5173.400000112.2P47 A51 V52P47-G49 PolarHBondContact O-N 3.37Å; G49-A51 VanDerWaalsContact C-N 3.25Å; G49-A51 PolarHBondContact O-N 3.2Å; G49-V52 PolarHBondContact O-N 3.36Å
50P94.4Very high95Very high49 Ų4948.6 Ų48.632%0.31830%0.295SS..Hα-helixtrans-55-37.9175.7-27.235.2000113.7I46 P47 V52 N53 Y54I46-P50 HydrophobicContact CG2-CB 4.17Å; P47-P50 WeakPolarHBondContact O-CD 3.37Å; P50-V52 PolarHBondContact O-N 3.4Å; P50-V52 VanDerWaalsContact O-N 3.17Å; P50-N53 PolarHBondContact O-N 3.02Å; P50-Y54 HydrophobicContact CB-CD2 4.2Å; P50-Y54 HydrophobicContact CB-CE2 3.55Å; P50-Y54 WeakPolarHBondContact O-CD2 3.15Å; P50-Y54 PolarHBondContact O-N 3Å
51A96.1Very high94.9Very high0 Ų052.5 Ų52.50%032%0.316CS..Hα-helixtrans-54.7-34179.500000114.2F41 I46 P47 G49 A55F41-A51 HydrophobicContact CB-CB 3.72Å; I46-A51 HydrophobicContact CG2-CB 4.18Å; P47-A51 WeakPolarHBondContact O-CB 3.3Å; P47-A51 PolarHBondContact O-N 3.03Å; G49-A51 VanDerWaalsContact C-N 3.25Å; G49-A51 PolarHBondContact O-N 3.2Å; A51-A55 WeakPolarHBondContact O-CB 3.17Å; A51-A55 PolarHBondContact O-N 3.1Å
52V95.3Very high94.9Very high69 Ų6962.2 Ų62.242%0.41835%0.353SS..Hα-helixtrans-68.3-41.9176.2172.60000111.3I38 P48 G49 P50 A55 V56I38-V52 HydrophobicContact CD1-CB 4.48Å; I38-V52 HydrophobicContact CD1-CG2 3.84Å; I38-V52 HydrophobicContact CG1-CG2 4.09Å; P48-V52 WeakPolarHBondContact O-CG2 3.48Å; G49-V52 PolarHBondContact O-N 3.36Å; P50-V52 PolarHBondContact O-N 3.4Å; P50-V52 VanDerWaalsContact O-N 3.17Å; V52-A55 PolarHBondContact O-N 3.15Å; V52-V56 WeakPolarHBondContact O-CG2 3.44Å; V52-V56 PolarHBondContact O-N 3.05Å; V52-V56 VanDerWaalsContact O-N 3.1Å
53N95.2Very high94.7Very high92 Ų9257.2 Ų57.249%0.49233%0.332SS..Hα-helixtrans-66.8-46.1178.7-168.561.3000111.1P50 A55 V56 M57P50-N53 PolarHBondContact O-N 3.02Å; N53-A55 VanDerWaalsContact C-N 3.28Å; N53-A55 PolarHBondContact O-N 3.09Å; N53-V56 PolarHBondContact O-N 3.48Å; N53-M57 WeakPolarHBondContact O-CG 3.3Å; N53-M57 PolarHBondContact O-N 3.09Å
54Y95.8Very high94.6Very high16 Ų1657.7 Ų57.76%0.06333%0.334CS..Hα-helixtrans-61.9-35.8176.5-55.3-31.7000112.1I46 P50 M57 F58 V81 D86I46-Y54 HydrophobicContact CD1-CD2 4.28Å; I46-Y54 HydrophobicContact CD1-CE2 4.42Å; I46-Y54 HydrophobicContact CG2-CD2 4.24Å; I46-Y54 HydrophobicContact CG2-CE2 4.12Å; P50-Y54 HydrophobicContact CB-CD2 4.2Å; P50-Y54 HydrophobicContact CB-CE2 3.55Å; P50-Y54 WeakPolarHBondContact O-CD2 3.15Å; P50-Y54 PolarHBondContact O-N 3Å; Y54-M57 PolarHBondContact O-N 3.14Å; Y54-F58 WeakPolarHBondContact O-CB 3.48Å; Y54-F58 VanDerWaalsContact O-CD2 3.3Å; Y54-F58 WeakPolarHBondContact O-CD2 3.47Å; Y54-F58 PolarHBondContact O-N 3.31Å; Y54-V81 HydrophobicContact CD1-CG2 3.78Å; Y54-V81 HydrophobicContact CE1-CB 4.28Å; Y54-V81 HydrophobicContact CE1-CG1 4.2Å; Y54-V81 HydrophobicContact CE1-CG2 3.97Å; Y54-V81 HydrophobicContact CE2-CG1 4.25Å; Y54-V81 HydrophobicContact CG-CG2 4.2Å; Y54-D86 HydrophobicContact CE2-CB 4.19Å; Y54-D86 PolarHBondContact OH-OD2 3.2Å
55A95.8Very high94.4Very high0 Ų061.4 Ų61.40%035%0.346CS..Hα-helixtrans-68.5-34.7175.400000114.3T34 W37 I38 F41 A51 V52 N53 V59T34-A55 HydrophobicContact CG2-CB 3.74Å; W37-A55 HydrophobicContact CB-CB 3.6Å; I38-A55 HydrophobicContact CB-CB 4.49Å; I38-A55 HydrophobicContact CG1-CB 3.58Å; F41-A55 HydrophobicContact CD2-CB 4.17Å; F41-A55 HydrophobicContact CE2-CB 4.07Å; A51-A55 WeakPolarHBondContact O-CB 3.17Å; A51-A55 PolarHBondContact O-N 3.1Å; V52-A55 PolarHBondContact O-N 3.15Å; N53-A55 VanDerWaalsContact C-N 3.28Å; N53-A55 PolarHBondContact O-N 3.09Å; A55-V59 VanDerWaalsContact O-CG2 3.32Å; A55-V59 WeakPolarHBondContact O-CG2 2.98Å; A55-V59 PolarHBondContact O-N 3.27Å
56V94.4Very high94.2Very high56 Ų5662.3 Ų62.334%0.33934%0.343SS..Hα-helixtrans-64.9-49.9170.4171.50000109.5T34 V52 N53 F58 V59 D60T34-V56 HydrophobicContact CG2-CG2 3.98Å; V52-V56 WeakPolarHBondContact O-CG2 3.44Å; V52-V56 PolarHBondContact O-N 3.05Å; V52-V56 VanDerWaalsContact O-N 3.1Å; N53-V56 PolarHBondContact O-N 3.48Å; V56-F58 VanDerWaalsContact C-N 3.33Å; V56-F58 PolarHBondContact O-N 2.99Å; V56-V59 PolarHBondContact O-N 3.16Å; V56-D60 VanDerWaalsContact CG1-OD2 3.29Å; V56-D60 WeakPolarHBondContact CG1-OD2 3.49Å; V56-D60 PolarHBondContact O-N 2.97Å
57M94.4Very high94.2Very high51 Ų5166 Ų6625%0.25136%0.361SS..Hα-helixtrans-63.1-34.1-178.9-64.7-172.773.600113.4N53 Y54 N61 L79N53-M57 WeakPolarHBondContact O-CG 3.3Å; N53-M57 PolarHBondContact O-N 3.09Å; Y54-M57 PolarHBondContact O-N 3.14Å; M57-N61 WeakPolarHBondContact O-CB 3.33Å; M57-N61 PolarHBondContact O-N 2.95Å; M57-N61 VanDerWaalsContact O-N 3.08Å; M57-N61 PolarHBondContact O-ND2 2.99Å; M57-L79 VanDerWaalsContact CE-C 3.44Å; M57-L79 WeakPolarHBondContact CE-O 3.28Å
58F94.9Very high94Very high1 Ų162.6 Ų62.60%0.00434%0.339CS..Hα-helixtrans-68-37.2172.8-91.2-127.5000112.8W37 F41 Y54 V56 R62 I63 L71 M76 L79 I90W37-F58 HydrophobicContact CD2-CB 4.13Å; W37-F58 AromaticContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CG 4.46Å; W37-F58 AromaticContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CE1 4.21Å; W37-F58 HydrophobicContact CE3-CG 4.44Å; W37-F58 HydrophobicContact CG-CB 4.2Å; W37-F58 AromaticContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CE1 4.27Å; W37-F58 HydrophobicContact CZ2-CD1 4.14Å; W37-F58 AromaticContact CZ3-CD1 3.59Å; W37-F58 HydrophobicContact CZ3-CD1 3.59Å; W37-F58 AromaticContact CZ3-CE1 3.87Å; W37-F58 HydrophobicContact CZ3-CE1 3.87Å; F41-F58 HydrophobicContact CE1-CE1 4.28Å; F41-F58 HydrophobicContact CE1-CE2 4.24Å; F41-F58 HydrophobicContact CE1-CZ 4.03Å; F41-F58 HydrophobicContact CE2-CD2 4.44Å; F41-F58 HydrophobicContact CE2-CG 4.39Å; F41-F58 AromaticContact CZ-CD1 3.86Å; F41-F58 HydrophobicContact CZ-CD1 3.86Å; F41-F58 AromaticContact CZ-CD2 3.71Å; F41-F58 HydrophobicContact CZ-CD2 3.71Å; F41-F58 AromaticContact CZ-CE1 3.85Å; F41-F58 HydrophobicContact CZ-CE1 3.85Å; F41-F58 AromaticContact CZ-CE2 3.7Å; F41-F58 HydrophobicContact CZ-CE2 3.7Å; F41-F58 AromaticContact CZ-CG 3.79Å; F41-F58 HydrophobicContact CZ-CG 3.79Å; F41-F58 AromaticContact CZ-CZ 3.77Å; F41-F58 HydrophobicContact CZ-CZ 3.77Å; Y54-F58 WeakPolarHBondContact O-CB 3.48Å; Y54-F58 VanDerWaalsContact O-CD2 3.3Å; Y54-F58 WeakPolarHBondContact O-CD2 3.47Å; Y54-F58 PolarHBondContact O-N 3.31Å; V56-F58 VanDerWaalsContact C-N 3.33Å; V56-F58 PolarHBondContact O-N 2.99Å; F58-R62 PolarHBondContact O-N 3.12Å; F58-R62 VanDerWaalsContact O-N 3.15Å; F58-I63 HydrophobicContact CB-CB 4.4Å; F58-I63 HydrophobicContact CD1-CB 3.88Å; F58-I63 HydrophobicContact CD1-CD1 3.97Å; F58-I63 HydrophobicContact CD1-CG2 3.7Å; F58-I63 HydrophobicContact CD2-CD1 4.03Å; F58-I63 HydrophobicContact CE1-CB 4.5Å; F58-I63 HydrophobicContact CE1-CD1 4.18Å; F58-I63 HydrophobicContact CE1-CG2 3.9Å; F58-I63 HydrophobicContact CE2-CD1 4.23Å; F58-I63 HydrophobicContact CG-CB 4.27Å; F58-I63 HydrophobicContact CG-CD1 3.9Å; F58-I63 HydrophobicContact CZ-CD1 4.31Å; F58-I63 PolarHBondContact O-N 3.38Å; F58-L71 HydrophobicContact CE1-CD1 3.9Å; F58-L71 HydrophobicContact CZ-CD1 4.02Å; F58-M76 HydrophobicContact CE2-CE 4.19Å; F58-M76 HydrophobicContact CE2-SD 4.32Å; F58-M76 HydrophobicContact CZ-CE 3.78Å; F58-M76 HydrophobicContact CZ-SD 4Å; F58-L79 HydrophobicContact CD2-CD1 4.18Å; F58-L79 HydrophobicContact CE2-CD1 3.74Å; F58-L79 HydrophobicContact CZ-CD1 4.33Å; F58-I90 HydrophobicContact CZ-CG2 4.35Å
59V94.8Very high94.1Very high25 Ų2561.8 Ų61.815%0.15233%0.329CS..Hα-helixtrans-72-43.1176.6171.50000111.4V30 A33 A55 V56 R62V30-V59 HydrophobicContact CG1-CG1 4.27Å; A33-V59 HydrophobicContact CB-CG2 3.96Å; A55-V59 VanDerWaalsContact O-CG2 3.32Å; A55-V59 WeakPolarHBondContact O-CG2 2.98Å; A55-V59 PolarHBondContact O-N 3.27Å; V56-V59 PolarHBondContact O-N 3.16Å; V59-R62 WeakPolarHBondContact O-CA 3.48Å; V59-R62 PolarHBondContact O-N 3.23Å
60D93.9Very high94.1Very high107 Ų10764 Ų6457%0.57233%0.328SS*.Hα-helixtrans-65.2-41.3-179.4-70-20.4000111.6V56 R62V56-D60 VanDerWaalsContact CG1-OD2 3.29Å; V56-D60 WeakPolarHBondContact CG1-OD2 3.49Å; V56-D60 PolarHBondContact O-N 2.97Å; D60-R62 PolarHBondContact O-N 3.46Å
61N94.1Very high94.1Very high97 Ų9762.2 Ų62.252%0.51932%0.316SS..THydrogen-bonded Turntrans-82.17.4172.3-65.4-80.6000113.5M57 I63 L79M57-N61 WeakPolarHBondContact O-CB 3.33Å; M57-N61 PolarHBondContact O-N 2.95Å; M57-N61 VanDerWaalsContact O-N 3.08Å; M57-N61 PolarHBondContact O-ND2 2.99Å; N61-I63 VanDerWaalsContact C-N 3.25Å; N61-I63 HydrophobicContact CB-CD1 4.48Å; N61-I63 HydrophobicContact CB-CG1 4.32Å; N61-I63 PolarHBondContact O-N 3.01Å; N61-L79 HydrophobicContact CB-CD2 3.73Å; N61-L79 VanDerWaalsContact ND2-CD2 3.35Å; N61-L79 WeakPolarHBondContact ND2-CD2 3.39Å
62R94.3Very high94.1Very high205 Ų20567 Ų6777%0.77434%0.342SS*.THydrogen-bonded Turntrans56.130.6172.6-53.6-175.1178.3-1400.6115.6F58 V59 D60F58-R62 PolarHBondContact O-N 3.12Å; F58-R62 VanDerWaalsContact O-N 3.15Å; V59-R62 WeakPolarHBondContact O-CA 3.48Å; V59-R62 PolarHBondContact O-N 3.23Å; D60-R62 PolarHBondContact O-N 3.46Å
63I93.5Very high94.1Very high17 Ų1769.2 Ų69.29%0.08735%0.345CS..  trans-64.9141179.4-59.4178000109.4W37 F58 N61 L71 L79W37-I63 HydrophobicContact CH2-CG2 4.28Å; W37-I63 HydrophobicContact CZ2-CG2 4.36Å; W37-I63 VanDerWaalsContact CZ2-O 3.3Å; W37-I63 WeakPolarHBondContact CZ2-O 3.39Å; F58-I63 HydrophobicContact CB-CB 4.4Å; F58-I63 HydrophobicContact CD1-CB 3.88Å; F58-I63 HydrophobicContact CD1-CD1 3.97Å; F58-I63 HydrophobicContact CD1-CG2 3.7Å; F58-I63 HydrophobicContact CD2-CD1 4.03Å; F58-I63 HydrophobicContact CE1-CB 4.5Å; F58-I63 HydrophobicContact CE1-CD1 4.18Å; F58-I63 HydrophobicContact CE1-CG2 3.9Å; F58-I63 HydrophobicContact CE2-CD1 4.23Å; F58-I63 HydrophobicContact CG-CB 4.27Å; F58-I63 HydrophobicContact CG-CD1 3.9Å; F58-I63 HydrophobicContact CZ-CD1 4.31Å; F58-I63 PolarHBondContact O-N 3.38Å; N61-I63 VanDerWaalsContact C-N 3.25Å; N61-I63 HydrophobicContact CB-CD1 4.48Å; N61-I63 HydrophobicContact CB-CG1 4.32Å; N61-I63 PolarHBondContact O-N 3.01Å; I63-L71 HydrophobicContact CD1-CD2 4.48Å; I63-L71 HydrophobicContact CG2-CD2 4.25Å; I63-L79 HydrophobicContact CD1-CD1 3.28Å; I63-L79 HydrophobicContact CD1-CD2 3.92Å; I63-L79 HydrophobicContact CD1-CG 4.23Å
64Q92.8Very high94.1Very high116 Ų11671.6 Ų71.654%0.54235%0.354SS..  trans-119.5157.7-176.2-57.8-173.926.400111.1S66 M67Q64-S66 WeakPolarHBondContact CB-OG 3.36Å; Q64-S66 PolarHBondContact O-N 3.04Å; Q64-M67 HydrophobicContact CB-CG 4.34Å; Q64-M67 HydrophobicContact CB-SD 4.29Å; Q64-M67 HydrophobicContact CG-SD 4.42Å; Q64-M67 PolarHBondContact O-N 3.18Å
65K90.1Very high94.1Very high98 Ų9873.6 Ų73.643%0.42637%0.365SS..SBendtrans-63.5-25.3178.2-65.4176.1-171.9167.10113.1E36 W37 L68E36-K65 IonicContact OE2-NZ 2.66Å; E36-K65 PolarHBondContact OE2-NZ 3.31Å; W37-K65 HydrophobicContact CH2-CG 4.23Å; W37-K65 HydrophobicContact CZ2-CG 4.4Å; K65-L68 HydrophobicContact CB-CD1 4.26Å; K65-L68 WeakPolarHBondContact O-CB 3.41Å; K65-L68 WeakPolarHBondContact O-CD1 3.43Å; K65-L68 VanDerWaalsContact O-CG 3.32Å; K65-L68 WeakPolarHBondContact O-CG 3.26Å
66S91.3Very high94Very high80 Ų8073.6 Ų73.656%0.55937%0.365SS*.G310 helixtrans-61.6-44.2170.441.90000112.5Q64 L68Q64-S66 WeakPolarHBondContact CB-OG 3.36Å; Q64-S66 PolarHBondContact O-N 3.04Å; S66-L68 PolarHBondContact O-N 3.25Å; S66-L68 VanDerWaalsContact O-N 3.16Å
67M93.9Very high94.1Very high82 Ų8274.6 Ų74.640%0.40437%0.368SS..G310 helixtrans-75.10.1-174.9-57.6171.971.700113.9Q64 L69 D70 L71Q64-M67 HydrophobicContact CB-CG 4.34Å; Q64-M67 HydrophobicContact CB-SD 4.29Å; Q64-M67 HydrophobicContact CG-SD 4.42Å; Q64-M67 PolarHBondContact O-N 3.18Å; M67-L69 PolarHBondContact O-N 3.07Å; M67-L69 VanDerWaalsContact O-N 3.14Å; M67-D70 WeakPolarHBondContact CA-OD2 3.42Å; M67-D70 PolarHBondContact O-N 3.14Å; M67-L71 PolarHBondContact O-N 3.34Å
68L93.3Very high94.1Very high3 Ų379.1 Ų79.12%0.01639%0.389CS..G310 helixtrans-60.3-25.4-174.1-78.6177000114W37 F40 K65 S66 L71 A94 V97W37-L68 HydrophobicContact CH2-CD2 4.01Å; W37-L68 HydrophobicContact CH2-CG 4.49Å; W37-L68 HydrophobicContact CZ3-CD2 4Å; F40-L68 HydrophobicContact CE1-CD2 4.33Å; F40-L68 HydrophobicContact CE2-CD1 3.71Å; F40-L68 HydrophobicContact CE2-CD2 3.98Å; F40-L68 HydrophobicContact CZ-CD1 4.2Å; F40-L68 HydrophobicContact CZ-CD2 3.61Å; K65-L68 HydrophobicContact CB-CD1 4.26Å; K65-L68 WeakPolarHBondContact O-CB 3.41Å; K65-L68 WeakPolarHBondContact O-CD1 3.43Å; K65-L68 VanDerWaalsContact O-CG 3.32Å; K65-L68 WeakPolarHBondContact O-CG 3.26Å; S66-L68 PolarHBondContact O-N 3.25Å; S66-L68 VanDerWaalsContact O-N 3.16Å; L68-L71 HydrophobicContact CD2-CD1 3.76Å; L68-A94 HydrophobicContact CB-CB 3.94Å; L68-A94 HydrophobicContact CD2-CB 4.2Å; L68-A94 WeakPolarHBondContact O-CB 3.44Å; L68-V97 HydrophobicContact CD1-CB 4.35Å; L68-V97 HydrophobicContact CD1-CG1 3.99Å
69L93.9Very high94Very high80 Ų8079.5 Ų79.542%0.41939%0.391SS..G310 helixtrans-81.8-24.4175.4-65.8-172.4000113.6M67 L71 K95 H98M67-L69 PolarHBondContact O-N 3.07Å; M67-L69 VanDerWaalsContact O-N 3.14Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-K95 HydrophobicContact CD2-CG 4.11Å; L69-H98 HydrophobicContact CD2-CB 3.95Å; L69-H98 HydrophobicContact CG-CB 4.24Å
70D93.9Very high93.8Very high100 Ų10080 Ų8054%0.53540%0.4SS..THydrogen-bonded Turntrans-83.1-16-178.4-45.4-49.8000111.7M67 N72M67-D70 WeakPolarHBondContact CA-OD2 3.42Å; M67-D70 PolarHBondContact O-N 3.14Å; D70-N72 PolarHBondContact O-N 3Å; D70-N72 PolarHBondContact O-ND2 3Å
71L94.4Very high93.9Very high11 Ų1174.9 Ų74.96%0.05837%0.373CS..  trans-59115.9174.1-64.9-171.5000110.9F58 I63 M67 L68 L69 I75 M76 I90 L91F58-L71 HydrophobicContact CE1-CD1 3.9Å; F58-L71 HydrophobicContact CZ-CD1 4.02Å; I63-L71 HydrophobicContact CD1-CD2 4.48Å; I63-L71 HydrophobicContact CG2-CD2 4.25Å; M67-L71 PolarHBondContact O-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 3.76Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L71-I75 HydrophobicContact CD2-CG2 4.09Å; L71-M76 HydrophobicContact CB-CE 4.02Å; L71-M76 HydrophobicContact CD1-CE 3.78Å; L71-M76 HydrophobicContact CD2-CE 3.74Å; L71-M76 HydrophobicContact CG-CE 4.03Å; L71-I90 HydrophobicContact CD1-CG2 4.5Å; L71-L91 HydrophobicContact CB-CD2 3.87Å; L71-L91 WeakPolarHBondContact O-CD2 3.27Å
72N95.8Very high94Very high102 Ų10275.2 Ų75.255%0.54538%0.379SS..  trans-108.6166.7174.2-81.9-56.5000111.5D70 E74 I75 M76D70-N72 PolarHBondContact O-N 3Å; D70-N72 PolarHBondContact O-ND2 3Å; N72-E74 PolarHBondContact O-N 3.37Å; N72-I75 PolarHBondContact O-N 3.28Å; N72-M76 WeakPolarHBondContact O-CG 3.18Å; N72-M76 PolarHBondContact O-N 2.91Å
73K95.6Very high94.1Very high114 Ų11468.8 Ų68.850%0.49636%0.362SS..Hα-helixtrans-53.1-37.4173.9-179.6-166.4171.2-56.70111.8M76 N77 I87K73-M76 PolarHBondContact O-N 2.99Å; K73-N77 PolarHBondContact NZ-ND2 3.4Å; K73-N77 PolarHBondContact NZ-OD1 3.46Å; K73-N77 WeakPolarHBondContact O-CB 3.22Å; K73-N77 PolarHBondContact O-N 3.2Å; K73-N77 PolarHBondContact O-OD1 3.36Å; K73-I87 HydrophobicContact CB-CG2 4.47Å; K73-I87 HydrophobicContact CG-CD1 4.36Å; K73-I87 HydrophobicContact CG-CG2 4.25Å
74E95.3Very high94.2Very high142 Ų14272.3 Ų72.366%0.66439%0.385SS*.Hα-helixtrans-63.3-52.4179.5-170.7154.3-128.900111.7N72 M76 N77 E78N72-E74 PolarHBondContact O-N 3.37Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 2.91Å; E74-N77 CarbonylContact O-C 3.38Å; E74-N77 WeakPolarHBondContact O-CA 3.26Å; E74-N77 VanDerWaalsContact O-CB 3.26Å; E74-N77 WeakPolarHBondContact O-CB 3.48Å; E74-N77 PolarHBondContact O-N 3.1Å; E74-E78 WeakPolarHBondContact O-CG 3.38Å; E74-E78 PolarHBondContact O-N 3.35Å
75I94.8Very high94.4Very high59 Ų5969 Ų6930%0.30338%0.382SS..Hα-helixtrans-58.1-39.2173.9-57.5173.2000110.9L71 N72 E78 L79L71-I75 HydrophobicContact CD2-CG2 4.09Å; N72-I75 PolarHBondContact O-N 3.28Å; I75-E78 PolarHBondContact O-N 2.9Å; I75-L79 HydrophobicContact CG2-CD1 3.9Å; I75-L79 HydrophobicContact CG2-CG 4.43Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 WeakPolarHBondContact O-CD1 3.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.2Å
76M95.3Very high94.7Very high0 Ų065.4 Ų65.40%037%0.367CS..Hα-helixtrans-64.1-39.8174.5-66.1-59.396.300112.5F58 L71 N72 K73 E74 L79 V81 I87 I90 L91F58-M76 HydrophobicContact CE2-CE 4.19Å; F58-M76 HydrophobicContact CE2-SD 4.32Å; F58-M76 HydrophobicContact CZ-CE 3.78Å; F58-M76 HydrophobicContact CZ-SD 4Å; L71-M76 HydrophobicContact CB-CE 4.02Å; L71-M76 HydrophobicContact CD1-CE 3.78Å; L71-M76 HydrophobicContact CD2-CE 3.74Å; L71-M76 HydrophobicContact CG-CE 4.03Å; N72-M76 WeakPolarHBondContact O-CG 3.18Å; N72-M76 PolarHBondContact O-N 2.91Å; K73-M76 PolarHBondContact O-N 2.99Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 2.91Å; M76-L79 HydrophobicContact CE-CD1 3.56Å; M76-L79 PolarHBondContact O-N 2.66Å; M76-V81 HydrophobicContact CB-CB 4.3Å; M76-V81 WeakPolarHBondContact O-CA 3.46Å; M76-V81 VanDerWaalsContact O-CB 3.26Å; M76-V81 WeakPolarHBondContact O-CB 3.41Å; M76-V81 PolarHBondContact O-N 2.96Å; M76-I87 HydrophobicContact CB-CG1 4.13Å; M76-I87 HydrophobicContact CB-CG2 4.06Å; M76-I87 HydrophobicContact CG-CG2 4.14Å; M76-I90 HydrophobicContact SD-CB 4.39Å; M76-I90 HydrophobicContact SD-CD1 4.22Å; M76-I90 HydrophobicContact SD-CG2 3.73Å; M76-L91 HydrophobicContact CG-CD2 4.2Å; M76-L91 HydrophobicContact CG-CG 4.44Å
77N95.1Very high94.9Very high76 Ų7661.9 Ų61.941%0.40634%0.342SS..Hα-helixtrans-63-44.2173.9-9039.5000111.6K73 E74 L79 G80K73-N77 PolarHBondContact NZ-ND2 3.4Å; K73-N77 PolarHBondContact NZ-OD1 3.46Å; K73-N77 WeakPolarHBondContact O-CB 3.22Å; K73-N77 PolarHBondContact O-N 3.2Å; K73-N77 PolarHBondContact O-OD1 3.36Å; E74-N77 CarbonylContact O-C 3.38Å; E74-N77 WeakPolarHBondContact O-CA 3.26Å; E74-N77 VanDerWaalsContact O-CB 3.26Å; E74-N77 WeakPolarHBondContact O-CB 3.48Å; E74-N77 PolarHBondContact O-N 3.1Å; N77-L79 VanDerWaalsContact C-N 3.34Å; N77-G80 PolarHBondContact O-N 3.44Å
78E94.3Very high95.1Very high147 Ų14763 Ų6369%0.68735%0.348SS*.Hα-helixtrans-63.2-38.3177.8-69.9175.8163.800112.1E74 I75 G80E74-E78 WeakPolarHBondContact O-CG 3.38Å; E74-E78 PolarHBondContact O-N 3.35Å; I75-E78 PolarHBondContact O-N 2.9Å; E78-G80 PolarHBondContact O-N 3.3Å; E78-G80 VanDerWaalsContact O-N 3.09Å
79L93.4Very high95.2Very high9 Ų963.8 Ų63.85%0.04736%0.355CS..THydrogen-bonded Turntrans-74.315.4171.7-62.5166.2000113.6M57 F58 N61 I63 I75 M76 N77 V81M57-L79 VanDerWaalsContact CE-C 3.44Å; M57-L79 WeakPolarHBondContact CE-O 3.28Å; F58-L79 HydrophobicContact CD2-CD1 4.18Å; F58-L79 HydrophobicContact CE2-CD1 3.74Å; F58-L79 HydrophobicContact CZ-CD1 4.33Å; N61-L79 HydrophobicContact CB-CD2 3.73Å; N61-L79 VanDerWaalsContact ND2-CD2 3.35Å; N61-L79 WeakPolarHBondContact ND2-CD2 3.39Å; I63-L79 HydrophobicContact CD1-CD1 3.28Å; I63-L79 HydrophobicContact CD1-CD2 3.92Å; I63-L79 HydrophobicContact CD1-CG 4.23Å; I75-L79 HydrophobicContact CG2-CD1 3.9Å; I75-L79 HydrophobicContact CG2-CG 4.43Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 WeakPolarHBondContact O-CD1 3.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.2Å; M76-L79 HydrophobicContact CE-CD1 3.56Å; M76-L79 PolarHBondContact O-N 2.66Å; N77-L79 VanDerWaalsContact C-N 3.34Å; L79-V81 HydrophobicContact CB-CG2 4.42Å; L79-V81 PolarHBondContact O-N 2.72Å; L79-V81 VanDerWaalsContact O-N 3.15Å
80G91.6Very high95.4Very high34 Ų3460 Ų6035%0.35134%0.335SS..THydrogen-bonded Turntrans68.79.6176.200000115.2N77 E78 T82N77-G80 PolarHBondContact O-N 3.44Å; E78-G80 PolarHBondContact O-N 3.3Å; E78-G80 VanDerWaalsContact O-N 3.09Å; G80-T82 VanDerWaalsContact C-N 3.26Å; G80-T82 PolarHBondContact O-N 2.88Å
81V95.1Very high95.5Very high0 Ų057.1 Ų57.10%032%0.32CS..  trans-79.777.4174.7-167.80000108.7Y54 M76 L79 D86 I87 I90Y54-V81 HydrophobicContact CD1-CG2 3.78Å; Y54-V81 HydrophobicContact CE1-CB 4.28Å; Y54-V81 HydrophobicContact CE1-CG1 4.2Å; Y54-V81 HydrophobicContact CE1-CG2 3.97Å; Y54-V81 HydrophobicContact CE2-CG1 4.25Å; Y54-V81 HydrophobicContact CG-CG2 4.2Å; M76-V81 HydrophobicContact CB-CB 4.3Å; M76-V81 WeakPolarHBondContact O-CA 3.46Å; M76-V81 VanDerWaalsContact O-CB 3.26Å; M76-V81 WeakPolarHBondContact O-CB 3.41Å; M76-V81 PolarHBondContact O-N 2.96Å; L79-V81 HydrophobicContact CB-CG2 4.42Å; L79-V81 PolarHBondContact O-N 2.72Å; L79-V81 VanDerWaalsContact O-N 3.15Å; V81-D86 HydrophobicContact CG1-CB 4.05Å; V81-I87 HydrophobicContact CB-CG1 4.41Å; V81-I87 HydrophobicContact CG1-CG1 3.96Å; V81-I87 WeakPolarHBondContact O-CD1 3.35Å; V81-I87 WeakPolarHBondContact O-CG1 3.44Å; V81-I90 HydrophobicContact CG1-CD1 4.07Å; V81-I90 HydrophobicContact CG2-CD1 4.44Å
82T95.3Very high95.6Very high105 Ų10563.7 Ų63.764%0.64435%0.348SS*.  trans-80.3-18.4-176.855.70000114G80 V84G80-T82 VanDerWaalsContact C-N 3.26Å; G80-T82 PolarHBondContact O-N 2.88Å; T82-V84 PolarHBondContact O-N 3.47Å
83V96.4Very high95.6Very high69 Ų6959.8 Ų59.842%0.41833%0.326SS..  trans-76.7107.3-177.8179.60000109.7G85 D86 I87V83-G85 PolarHBondContact O-N 3.27Å; V83-G85 VanDerWaalsContact O-N 3.11Å; V83-D86 HydrophobicContact CB-CB 4.07Å; V83-D86 HydrophobicContact CG1-CB 4.21Å; V83-D86 WeakPolarHBondContact O-CA 3.42Å; V83-D86 WeakPolarHBondContact O-CB 3.39Å; V83-D86 PolarHBondContact O-N 2.88Å; V83-I87 WeakPolarHBondContact O-CG1 3.49Å; V83-I87 PolarHBondContact O-N 3.16Å
84V95.9Very high95.5Very high92 Ų9254.4 Ų54.456%0.55830%0.303SS*.Hα-helixtrans-55.6-34-175.4-178.80000113.1T82 I88T82-V84 PolarHBondContact O-N 3.47Å; V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.19Å
85G96.9Very high95.5Very high47 Ų4754.5 Ų54.549%0.48530%0.301SS..Hα-helixtrans-62.4-42.9173.600000113.1V83 I88 A89V83-G85 PolarHBondContact O-N 3.27Å; V83-G85 VanDerWaalsContact O-N 3.11Å; G85-I88 PolarHBondContact O-N 2.81Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.16Å
86D96.9Very high95.5Very high21 Ų2155.4 Ų55.411%0.11231%0.31CS..Hα-helixtrans-72.1-38.9179.9-66.5-13.5000111.1I46 Y54 V81 V83 I88 A89 I90I46-D86 HydrophobicContact CD1-CB 3.68Å; I46-D86 HydrophobicContact CG1-CB 4.14Å; Y54-D86 HydrophobicContact CE2-CB 4.19Å; Y54-D86 PolarHBondContact OH-OD2 3.2Å; V81-D86 HydrophobicContact CG1-CB 4.05Å; V83-D86 HydrophobicContact CB-CB 4.07Å; V83-D86 HydrophobicContact CG1-CB 4.21Å; V83-D86 WeakPolarHBondContact O-CA 3.42Å; V83-D86 WeakPolarHBondContact O-CB 3.39Å; V83-D86 PolarHBondContact O-N 2.88Å; D86-I88 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 3.35Å; D86-A89 PolarHBondContact O-N 3.28Å; D86-I90 WeakPolarHBondContact O-CB 3.26Å; D86-I90 VanDerWaalsContact O-CG1 3.27Å; D86-I90 WeakPolarHBondContact O-CG1 3.32Å; D86-I90 PolarHBondContact O-N 3.41Å
87I96.6Very high95.3Very high6 Ų656 Ų563%0.03131%0.313CS..Hα-helixtrans-54.2-51.2169.5-58.8175.3000109.9K73 M76 V81 V83 A89 I90 L91K73-I87 HydrophobicContact CB-CG2 4.47Å; K73-I87 HydrophobicContact CG-CD1 4.36Å; K73-I87 HydrophobicContact CG-CG2 4.25Å; M76-I87 HydrophobicContact CB-CG1 4.13Å; M76-I87 HydrophobicContact CB-CG2 4.06Å; M76-I87 HydrophobicContact CG-CG2 4.14Å; V81-I87 HydrophobicContact CB-CG1 4.41Å; V81-I87 HydrophobicContact CG1-CG1 3.96Å; V81-I87 WeakPolarHBondContact O-CD1 3.35Å; V81-I87 WeakPolarHBondContact O-CG1 3.44Å; V83-I87 WeakPolarHBondContact O-CG1 3.49Å; V83-I87 PolarHBondContact O-N 3.16Å; I87-A89 VanDerWaalsContact C-N 3.35Å; I87-A89 PolarHBondContact O-N 2.92Å; I87-I90 PolarHBondContact O-N 3.16Å; I87-L91 HydrophobicContact CG2-CD1 3.78Å; I87-L91 HydrophobicContact CG2-CG 4.31Å; I87-L91 WeakPolarHBondContact O-CB 3.32Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.07Å; I87-L91 PolarHBondContact O-N 3.42Å
88I96.3Very high95Very high106 Ų10656 Ų5654%0.54431%0.311SS..Hα-helixtrans-64.6-39.9-179.5-68.3166.4000111V84 G85 D86 K92V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.19Å; G85-I88 PolarHBondContact O-N 2.81Å; D86-I88 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 3.35Å; I88-K92 WeakPolarHBondContact O-CB 3.49Å; I88-K92 PolarHBondContact O-N 2.98Å
89A97.3Very high94.8Very high19 Ų1957.7 Ų57.716%0.15731%0.311CS..Hα-helixtrans-60.1-48.2176.400000111.7A44 I46 G85 D86 I87 K92 H93A44-A89 HydrophobicContact CB-CB 4.35Å; I46-A89 HydrophobicContact CD1-CB 4.47Å; I46-A89 HydrophobicContact CG1-CB 4.11Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.16Å; D86-A89 PolarHBondContact O-N 3.28Å; I87-A89 VanDerWaalsContact C-N 3.35Å; I87-A89 PolarHBondContact O-N 2.92Å; A89-K92 PolarHBondContact O-N 3.27Å; A89-H93 VanDerWaalsContact O-CB 3.26Å; A89-H93 WeakPolarHBondContact O-CB 3.49Å; A89-H93 PolarHBondContact O-N 3Å
90I96.3Very high94.6Very high0 Ų061.5 Ų61.50%033%0.328CS..Hα-helixtrans-62.2-53.6178.5-68.8164.2000110.9F40 F41 I46 F58 L71 M76 V81 D86 I87 K92 H93 A94F40-I90 HydrophobicContact CE1-CG2 4.31Å; F41-I90 HydrophobicContact CD1-CD1 3.88Å; F41-I90 HydrophobicContact CD1-CG1 3.7Å; F41-I90 HydrophobicContact CE1-CD1 3.56Å; F41-I90 HydrophobicContact CE1-CG1 3.63Å; F41-I90 HydrophobicContact CE1-CG2 4.43Å; I46-I90 HydrophobicContact CD1-CD1 3.75Å; I46-I90 HydrophobicContact CD1-CG1 3.64Å; F58-I90 HydrophobicContact CZ-CG2 4.35Å; L71-I90 HydrophobicContact CD1-CG2 4.5Å; M76-I90 HydrophobicContact SD-CB 4.39Å; M76-I90 HydrophobicContact SD-CD1 4.22Å; M76-I90 HydrophobicContact SD-CG2 3.73Å; V81-I90 HydrophobicContact CG1-CD1 4.07Å; V81-I90 HydrophobicContact CG2-CD1 4.44Å; D86-I90 WeakPolarHBondContact O-CB 3.26Å; D86-I90 VanDerWaalsContact O-CG1 3.27Å; D86-I90 WeakPolarHBondContact O-CG1 3.32Å; D86-I90 PolarHBondContact O-N 3.41Å; I87-I90 PolarHBondContact O-N 3.16Å; I90-K92 PolarHBondContact O-N 3.38Å; I90-H93 PolarHBondContact O-N 2.89Å; I90-H93 VanDerWaalsContact O-N 3.16Å; I90-A94 VanDerWaalsContact O-CB 3.26Å; I90-A94 WeakPolarHBondContact O-CB 3.27Å; I90-A94 PolarHBondContact O-N 3.47Å
91L96.1Very high94.3Very high41 Ų4162.5 Ų62.522%0.21533%0.326CS..Hα-helixtrans-65.8-27.2-177.1-63.6-177.9000112.8L71 M76 I87L71-L91 HydrophobicContact CB-CD2 3.87Å; L71-L91 WeakPolarHBondContact O-CD2 3.27Å; M76-L91 HydrophobicContact CG-CD2 4.2Å; M76-L91 HydrophobicContact CG-CG 4.44Å; I87-L91 HydrophobicContact CG2-CD1 3.78Å; I87-L91 HydrophobicContact CG2-CG 4.31Å; I87-L91 WeakPolarHBondContact O-CB 3.32Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.07Å; I87-L91 PolarHBondContact O-N 3.42Å
92K96.6Very high93.6Very high149 Ų14968.2 Ų68.265%0.64835%0.354SS*.Hα-helixtrans-75-46.9171.2-177.3-177.5177.9-173.80111.5I88 A89 I90 K95 V96I88-K92 WeakPolarHBondContact O-CB 3.49Å; I88-K92 PolarHBondContact O-N 2.98Å; A89-K92 PolarHBondContact O-N 3.27Å; I90-K92 PolarHBondContact O-N 3.38Å; K92-K95 PolarHBondContact O-N 2.9Å; K92-V96 WeakPolarHBondContact O-CG2 3.45Å; K92-V96 PolarHBondContact O-N 3.38Å
93H95.7Very high92.7Very high20 Ų2066.7 Ų66.79%0.09335%0.347CS..Hα-helixtrans-69-36.4-178-171.662.7000112F40 A44 A89 I90 K95 V96 V97F40-H93 AromaticContact CD2-CD2 3.44Å; F40-H93 VanDerWaalsContact CD2-CD2 3.44Å; F40-H93 WeakPolarHBondContact CD2-CD2 3.5Å; F40-H93 AromaticContact CD2-NE2 3.69Å; F40-H93 AromaticContact CE2-CD2 3.35Å; F40-H93 WeakPolarHBondContact CE2-CD2 3.49Å; F40-H93 AromaticContact CE2-NE2 3.99Å; F40-H93 AromaticContact CG-CD2 3.93Å; F40-H93 AromaticContact CZ-CD2 3.77Å; F40-H93 PolarHBondContact O-CD2 3.24Å; F40-H93 VanDerWaalsContact O-CD2 3.3Å; F40-H93 PolarHBondContact O-NE2 3.43Å; A44-H93 HydrophobicContact CB-CB 3.48Å; A44-H93 VanDerWaalsContact CB-CB 3.48Å; A89-H93 VanDerWaalsContact O-CB 3.26Å; A89-H93 WeakPolarHBondContact O-CB 3.49Å; A89-H93 PolarHBondContact O-N 3Å; I90-H93 PolarHBondContact O-N 2.89Å; I90-H93 VanDerWaalsContact O-N 3.16Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.11Å; H93-V96 CarbonylContact O-C 3.59Å; H93-V96 WeakPolarHBondContact O-CA 3.49Å; H93-V96 WeakPolarHBondContact O-CB 3.26Å; H93-V96 PolarHBondContact O-N 3.17Å; H93-V97 WeakPolarHBondContact NE2-CG2 3.46Å; H93-V97 WeakPolarHBondContact O-CG2 3.48Å; H93-V97 PolarHBondContact O-N 3.33Å
94A95.3Very high91.8Very high1 Ų167.9 Ų67.91%0.00835%0.346CS..Hα-helixtrans-49.1-49.1169.800000113L68 I90 V96 V97 H98L68-A94 HydrophobicContact CB-CB 3.94Å; L68-A94 HydrophobicContact CD2-CB 4.2Å; L68-A94 WeakPolarHBondContact O-CB 3.44Å; I90-A94 VanDerWaalsContact O-CB 3.26Å; I90-A94 WeakPolarHBondContact O-CB 3.27Å; I90-A94 PolarHBondContact O-N 3.47Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.2Å; A94-V97 PolarHBondContact O-N 3.24Å; A94-H98 PolarHBondContact O-N 3.5Å
95K94.4Very high90.7Very high143 Ų14366.8 Ų66.862%0.62235%0.347SS*.Hα-helixtrans-67.4-32.6177.1-66.8174.9-177.5-179.30112.5L69 K92 H93 R99L69-K95 HydrophobicContact CD2-CG 4.11Å; K92-K95 PolarHBondContact O-N 2.9Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.11Å; K95-R99 WeakPolarHBondContact O-CB 3.49Å; K95-R99 PolarHBondContact O-N 3.43Å
96V93.9Very high89Confident79 Ų7968.6 Ų68.648%0.47936%0.357SS..Hα-helixtrans-69.2-46.2173.6173.90000111K92 H93 A94 R99 Q100K92-V96 WeakPolarHBondContact O-CG2 3.45Å; K92-V96 PolarHBondContact O-N 3.38Å; H93-V96 CarbonylContact O-C 3.59Å; H93-V96 WeakPolarHBondContact O-CA 3.49Å; H93-V96 WeakPolarHBondContact O-CB 3.26Å; H93-V96 PolarHBondContact O-N 3.17Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.2Å; V96-R99 PolarHBondContact O-N 3.25Å; V96-Q100 VanDerWaalsContact O-CB 3.3Å; V96-Q100 WeakPolarHBondContact O-CB 3.35Å; V96-Q100 PolarHBondContact O-N 2.86Å
97V92.2Very high87.2Confident13 Ų1370.3 Ų70.38%0.07937%0.369CS..Hα-helixtrans-64.1-46.5179.1170.40000110.9F40 L68 H93 A94 R99 Q100 D101F40-V97 HydrophobicContact CD2-CG2 4.06Å; F40-V97 HydrophobicContact CE2-CB 4.34Å; F40-V97 HydrophobicContact CE2-CG2 3.86Å; L68-V97 HydrophobicContact CD1-CB 4.35Å; L68-V97 HydrophobicContact CD1-CG1 3.99Å; H93-V97 WeakPolarHBondContact NE2-CG2 3.46Å; H93-V97 WeakPolarHBondContact O-CG2 3.48Å; H93-V97 PolarHBondContact O-N 3.33Å; A94-V97 PolarHBondContact O-N 3.24Å; V97-R99 PolarHBondContact O-N 3.03Å; V97-Q100 CarbonylContact O-C 3.53Å; V97-Q100 WeakPolarHBondContact O-CA 3.42Å; V97-Q100 WeakPolarHBondContact O-CB 3.47Å; V97-Q100 PolarHBondContact O-N 3.12Å; V97-D101 WeakPolarHBondContact O-CB 3.41Å; V97-D101 PolarHBondContact O-N 3.22Å
98H88.4Confident84.9Confident75 Ų7577.4 Ų77.435%0.34740%0.402SS..Hα-helixtrans-56.4-48.1174.8-177.190.5000111.8L69 A94 Q100 D101 M102L69-H98 HydrophobicContact CD2-CB 3.95Å; L69-H98 HydrophobicContact CG-CB 4.24Å; A94-H98 PolarHBondContact O-N 3.5Å; H98-Q100 VanDerWaalsContact C-N 3.31Å; H98-Q100 PolarHBondContact O-N 3.15Å; H98-D101 PolarHBondContact O-N 3.4Å; H98-M102 WeakPolarHBondContact O-CG 3.3Å; H98-M102 PolarHBondContact O-N 2.81Å
99R89.8Confident82.4Confident182 Ų18277.6 Ų77.669%0.68741%0.412SS*.Hα-helixtrans-62.4-37.8174.9-176.9175.8-178.8-97.70.5112.3K95 V96 V97 C103K95-R99 WeakPolarHBondContact O-CB 3.49Å; K95-R99 PolarHBondContact O-N 3.43Å; V96-R99 PolarHBondContact O-N 3.25Å; V97-R99 PolarHBondContact O-N 3.03Å; R99-C103 PolarHBondContact O-N 2.84Å; R99-C103 VanDerWaalsContact O-N 3.12Å; R99-C103 PolarHBondContact O-SG 3.41Å; R99-C103 VanDerWaalsContact O-SG 3.34Å
100Q89.3Confident79.9Confident89 Ų8980.4 Ų80.442%0.41643%0.427SS..Hα-helixtrans-66.1-41.1177.5-159.7-163.54100110.7V96 V97 H98 C103 K104V96-Q100 VanDerWaalsContact O-CB 3.3Å; V96-Q100 WeakPolarHBondContact O-CB 3.35Å; V96-Q100 PolarHBondContact O-N 2.86Å; V97-Q100 CarbonylContact O-C 3.53Å; V97-Q100 WeakPolarHBondContact O-CA 3.42Å; V97-Q100 WeakPolarHBondContact O-CB 3.47Å; V97-Q100 PolarHBondContact O-N 3.12Å; H98-Q100 VanDerWaalsContact C-N 3.31Å; H98-Q100 PolarHBondContact O-N 3.15Å; Q100-C103 CarbonylContact O-C 3.54Å; Q100-C103 WeakPolarHBondContact O-CA 3.47Å; Q100-C103 WeakPolarHBondContact O-CB 3.44Å; Q100-C103 PolarHBondContact O-N 3.34Å; Q100-K104 VanDerWaalsContact CD-CE 3.48Å; Q100-K104 WeakPolarHBondContact O-CG 3.37Å; Q100-K104 PolarHBondContact O-N 3.16Å
101D85.9Confident77.1Confident56 Ų5686.5 Ų86.530%0.29947%0.467SS..Hα-helixtrans-72.4-36.3-178.8-70.1-10.4000111.8V97 H98 C103 K104 A105V97-D101 WeakPolarHBondContact O-CB 3.41Å; V97-D101 PolarHBondContact O-N 3.22Å; H98-D101 PolarHBondContact O-N 3.4Å; D101-C103 VanDerWaalsContact C-N 3.31Å; D101-C103 PolarHBondContact O-N 2.86Å; D101-K104 PolarHBondContact O-N 2.76Å; D101-K104 VanDerWaalsContact O-N 3.16Å; D101-K104 WeakPolarHBondContact OD1-CD 3.41Å; D101-K104 WeakPolarHBondContact OD1-CE 3.43Å; D101-K104 IonicContact OD1-NZ 2.61Å; D101-K104 PolarHBondContact OD1-NZ 3.44Å; D101-A105 WeakPolarHBondContact O-CB 3.43Å; D101-A105 PolarHBondContact O-N 3.17Å
102M80.1Confident74Confident119 Ų11989.8 Ų89.859%0.58649%0.492SS*.Hα-helixtrans-57.7-43.6165.5-67-179.888.300111.6H98 A106H98-M102 WeakPolarHBondContact O-CG 3.3Å; H98-M102 PolarHBondContact O-N 2.81Å; M102-A106 WeakPolarHBondContact O-CB 3.26Å; M102-A106 PolarHBondContact O-N 2.96Å; M102-A106 VanDerWaalsContact O-N 3.15Å
103C76.1Confident71.1Confident74 Ų7489.7 Ų89.750%0.550%0.499SS..Hα-helixtrans-70.4-27.8175.3-69.10000113.5R99 Q100 D101 T107R99-C103 PolarHBondContact O-N 2.84Å; R99-C103 VanDerWaalsContact O-N 3.12Å; R99-C103 PolarHBondContact O-SG 3.41Å; R99-C103 VanDerWaalsContact O-SG 3.34Å; Q100-C103 CarbonylContact O-C 3.54Å; Q100-C103 WeakPolarHBondContact O-CA 3.47Å; Q100-C103 WeakPolarHBondContact O-CB 3.44Å; Q100-C103 PolarHBondContact O-N 3.34Å; D101-C103 VanDerWaalsContact C-N 3.31Å; D101-C103 PolarHBondContact O-N 2.86Å; C103-T107 WeakPolarHBondContact O-CB 3.41Å; C103-T107 VanDerWaalsContact O-CG2 3.26Å; C103-T107 WeakPolarHBondContact O-CG2 3.09Å; C103-T107 PolarHBondContact O-N 3.27Å
104K78.5Confident69.1Low93 Ų9394.5 Ų94.540%0.40453%0.532SS..Hα-helixtrans-70.2-54.3173.2-74172.1-160.8153.80110.6Q100 D101 A106 T107 E108Q100-K104 VanDerWaalsContact CD-CE 3.48Å; Q100-K104 WeakPolarHBondContact O-CG 3.37Å; Q100-K104 PolarHBondContact O-N 3.16Å; D101-K104 PolarHBondContact O-N 2.76Å; D101-K104 VanDerWaalsContact O-N 3.16Å; D101-K104 WeakPolarHBondContact OD1-CD 3.41Å; D101-K104 WeakPolarHBondContact OD1-CE 3.43Å; D101-K104 IonicContact OD1-NZ 2.61Å; D101-K104 PolarHBondContact OD1-NZ 3.44Å; K104-A106 PolarHBondContact O-N 2.77Å; K104-T107 CarbonylContact O-C 3.44Å; K104-T107 WeakPolarHBondContact O-CA 3.5Å; K104-T107 WeakPolarHBondContact O-CG2 3.27Å; K104-T107 PolarHBondContact O-N 3.05Å; K104-E108 WeakPolarHBondContact O-CB 3.35Å; K104-E108 PolarHBondContact O-N 3.41Å
105A71.5Confident66.2Low70 Ų7099.5 Ų99.558%0.57957%0.566SS**Hα-helixtrans-57.2-37.317900000112.1D101 T107D101-A105 WeakPolarHBondContact O-CB 3.43Å; D101-A105 PolarHBondContact O-N 3.17Å; A105-T107 VanDerWaalsContact C-N 3.29Å; A105-T107 PolarHBondContact O-N 3.12Å
106A62Low64.3Low84 Ų8498.9 Ų98.969%0.69458%0.577SS**THydrogen-bonded Turntrans-72.9-13.3174.400000114.9M102 K104M102-A106 WeakPolarHBondContact O-CB 3.26Å; M102-A106 PolarHBondContact O-N 2.96Å; M102-A106 VanDerWaalsContact O-N 3.15Å; K104-A106 PolarHBondContact O-N 2.77Å
107T58.4Low61.8Low58 Ų58102.7 Ų102.736%0.35659%0.594SS.*THydrogen-bonded Turntrans-118.90.7178.7-159.60000114.1C103 K104 A105 S109 V110C103-T107 WeakPolarHBondContact O-CB 3.41Å; C103-T107 VanDerWaalsContact O-CG2 3.26Å; C103-T107 WeakPolarHBondContact O-CG2 3.09Å; C103-T107 PolarHBondContact O-N 3.27Å; K104-T107 CarbonylContact O-C 3.44Å; K104-T107 WeakPolarHBondContact O-CA 3.5Å; K104-T107 WeakPolarHBondContact O-CG2 3.27Å; K104-T107 PolarHBondContact O-N 3.05Å; A105-T107 VanDerWaalsContact C-N 3.29Å; A105-T107 PolarHBondContact O-N 3.12Å; T107-S109 PolarHBondContact O-N 3.34Å; T107-S109 VanDerWaalsContact O-N 3.12Å; T107-V110 PolarHBondContact O-N 3.38Å
108E49.5Very low59.5Low155 Ų155111.8 Ų111.872%0.72464%0.635SS**THydrogen-bonded Turntrans-66.3-14.2-175.2-165.1164.9166.800113.1K104 V110K104-E108 WeakPolarHBondContact O-CB 3.35Å; K104-E108 PolarHBondContact O-N 3.41Å; E108-V110 PolarHBondContact O-N 2.79Å
109S43.7Very low57.3Low109 Ų109110.9 Ų110.976%0.76265%0.647SS**THydrogen-bonded Turntrans-64.8-7.3164.255.50000114.6T107T107-S109 PolarHBondContact O-N 3.34Å; T107-S109 VanDerWaalsContact O-N 3.12Å
110V44.5Very low55.3Low78 Ų78110.8 Ų110.847%0.47365%0.654SS.*SBendtrans-138.6108.1176.8-175.20000111T107 E108 C112T107-V110 PolarHBondContact O-N 3.38Å; E108-V110 PolarHBondContact O-N 2.79Å; V110-C112 PolarHBondContact O-N 3.36Å
111P36.5Very low53.4Low129 Ų129111.4 Ų111.484%0.83866%0.66SS**  trans-70.2128.5179.528.4-34.3000111.8
112C32.8Very low51.7Low110 Ų110117.9 Ų117.974%0.74368%0.68SS**  trans-149.9136.1165.2-164.30000111V110V110-C112 PolarHBondContact O-N 3.36Å
113N35.8Very low50.3Low147 Ų147121.7 Ų121.779%0.78669%0.688SS**  trans-95.6129.5-167.9-171.61.2000111.2S115N113-S115 PolarHBondContact O-N 3.42Å
114P52.7Low49.1Very low120 Ų120119.2 Ų119.278%0.77967%0.674SS**  trans-81.8111.2-177.331-34.7000113.4
115S34.1Very low47.8Very low106 Ų106118 Ų11874%0.74168%0.682SS**  trans-104.3125.6159.358.50000110.3N113 L117N113-S115 PolarHBondContact O-N 3.42Å; S115-L117 PolarHBondContact O-N 3.22Å; S115-L117 VanDerWaalsContact O-N 3.12Å
116P54.9Low47.3Very low130 Ų130119.5 Ų119.584%0.84469%0.688SS**  trans-91.558.5-167.236.4-37.7000113.9
117L40.6Very low47.8Very low159 Ų159118.4 Ų118.483%0.83268%0.675SS**SBendtrans-141.6128.7164-75.9-179.2000111.6S115S115-L117 PolarHBondContact O-N 3.22Å; S115-L117 VanDerWaalsContact O-N 3.12Å
118Q45.3Very low48.5Very low204 Ų204119 Ų11995%0.95369%0.686SS**  trans17.8100.7169.6-63-169.4-5.900117.7
119G42.3Very low49.7Very low57 Ų57114.1 Ų114.159%0.58867%0.673SS**  trans-151.128.9-176.800000115.9
120E46.6Very low51.4Low180 Ų180110.7 Ų110.784%0.84165%0.649SS**THydrogen-bonded Turntrans-61.3149.2175.9-167163.1-167.900111.5R122E120-R122 PolarHBondContact O-N 2.93Å
121L49Very low53.3Low102 Ų102114.1 Ų114.153%0.53465%0.653SS.*THydrogen-bonded Turntrans6530.6174.5-116.2164.4000116.7
122R50.4Low55.5Low191 Ų191114.3 Ų114.372%0.72164%0.644SS**  trans-100.134.5168.2-67.7-55.989.790.812.6115.5E120E120-R122 PolarHBondContact O-N 2.93Å
123R51.5Low57.9Low200 Ų200113.6 Ų113.676%0.75563%0.632SS**SBendtrans-131.826.9171-139.3-174.1-65-136.36.9115.4
124G50.3Low60Low21 Ų21108.5 Ų108.522%0.21661%0.61CS.*  trans-147.48.6178.500000116.3S126 S127 S130G124-S126 PolarHBondContact O-N 2.78Å; G124-S127 PolarHBondContact O-N 3Å; G124-S130 VanDerWaalsContact O-CB 3.27Å; G124-S130 WeakPolarHBondContact O-CB 3.27Å; G124-S130 PolarHBondContact O-OG 3.37Å
125A52.4Low61.2Low68 Ų68108.7 Ų108.756%0.56261%0.605SS**THydrogen-bonded Turntrans-67.6-7.5-165.400000116.3R131A125-R131 PolarHBondContact O-NH2 2.89Å
126S60.6Low63.2Low102 Ų102107.3 Ų107.371%0.71360%0.595SS**THydrogen-bonded Turntrans-79.7-38.1176.651.50000113.1G124 R131G124-S126 PolarHBondContact O-N 2.78Å; S126-R131 PolarHBondContact O-NE 3.47Å; S126-R131 PolarHBondContact O-NH2 3.32Å
127S71.2Confident64.4Low60 Ų60107.1 Ų107.142%0.4259%0.586SS.*SBendtrans-74.4138.3-172-176.70000113.1G124 A129 S130 R131G124-S127 PolarHBondContact O-N 3Å; S127-A129 VanDerWaalsContact C-N 3.26Å; S127-A129 PolarHBondContact O-N 3.35Å; S127-A129 PolarHBondContact OG-N 3.23Å; S127-S130 PolarHBondContact O-N 3.37Å; S127-R131 PolarHBondContact O-N 3.35Å
128A73.6Confident66.1Low70 Ų70105.2 Ų105.258%0.57958%0.577SS**Hα-helixtrans-58.5-36.8175.500000112.5S130 R131 M132A128-S130 PolarHBondContact O-N 2.96Å; A128-R131 WeakPolarHBondContact O-CB 3.45Å; A128-R131 PolarHBondContact O-N 3.05Å; A128-M132 PolarHBondContact O-N 3.32Å
129A75.5Confident67Low54 Ų54103.9 Ų103.945%0.44657%0.57SS.*Hα-helixtrans-60.9-42.6178.100000112.2S127 R131 M132 I133S127-A129 VanDerWaalsContact C-N 3.26Å; S127-A129 PolarHBondContact O-N 3.35Å; S127-A129 PolarHBondContact OG-N 3.23Å; A129-R131 VanDerWaalsContact C-N 3.3Å; A129-R131 PolarHBondContact O-N 3.12Å; A129-M132 PolarHBondContact O-N 2.85Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 3.45Å
130S79.6Confident67.3Low37 Ų37108.2 Ų108.226%0.25958%0.58SS.*Hα-helixtrans-67.7-30.1178.1-57.30000112.7G124 S127 A128 A134G124-S130 VanDerWaalsContact O-CB 3.27Å; G124-S130 WeakPolarHBondContact O-CB 3.27Å; G124-S130 PolarHBondContact O-OG 3.37Å; S127-S130 PolarHBondContact O-N 3.37Å; A128-S130 PolarHBondContact O-N 2.96Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 2.88Å; S130-A134 VanDerWaalsContact O-N 3.13Å
131R82.9Confident67.3Low150 Ų150104 Ų10457%0.56657%0.571SS**Hα-helixtrans-68.6-44.2173-58.4171.6-157.4-101.74.4111.1A125 S126 S127 A128 A129 A134 N135A125-R131 PolarHBondContact O-NH2 2.89Å; S126-R131 PolarHBondContact O-NE 3.47Å; S126-R131 PolarHBondContact O-NH2 3.32Å; S127-R131 PolarHBondContact O-N 3.35Å; A128-R131 WeakPolarHBondContact O-CB 3.45Å; A128-R131 PolarHBondContact O-N 3.05Å; A129-R131 VanDerWaalsContact C-N 3.3Å; A129-R131 PolarHBondContact O-N 3.12Å; R131-A134 PolarHBondContact O-N 3.22Å; R131-N135 WeakPolarHBondContact O-CB 3.37Å; R131-N135 PolarHBondContact O-N 3.47Å
132M83.9Confident67.7Low133 Ų133104.9 Ų104.966%0.65558%0.583SS**Hα-helixtrans-60.4-48.6175.3-69.7177.566.600111.6A128 A129 A134 N135 S136A128-M132 PolarHBondContact O-N 3.32Å; A129-M132 PolarHBondContact O-N 2.85Å; M132-A134 PolarHBondContact O-N 2.83Å; M132-N135 PolarHBondContact O-N 3.33Å; M132-S136 PolarHBondContact O-N 3.42Å; M132-S136 PolarHBondContact O-OG 3.29Å
133I82.7Confident67.8Low95 Ų95101.8 Ų101.849%0.48759%0.587SS.*Hα-helixtrans-58.9-46179.3-67162.3000111A129 N135 S136 L137A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 3.45Å; I133-N135 PolarHBondContact O-N 3.02Å; I133-S136 PolarHBondContact O-N 3.26Å; I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 2.9Å
134A81Confident67.4Low39 Ų39100.4 Ų100.432%0.32259%0.589SS.*Hα-helixtrans-62.1-42176.600000112.4S130 R131 M132 S136 L137 N138S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 2.88Å; S130-A134 VanDerWaalsContact O-N 3.13Å; R131-A134 PolarHBondContact O-N 3.22Å; M132-A134 PolarHBondContact O-N 2.83Å; A134-S136 VanDerWaalsContact C-N 3.32Å; A134-S136 PolarHBondContact O-N 2.85Å; A134-L137 PolarHBondContact O-N 3.26Å; A134-N138 WeakPolarHBondContact O-CB 3.36Å; A134-N138 VanDerWaalsContact O-CG 3.26Å; A134-N138 PolarHBondContact O-N 3.09Å; A134-N138 PolarHBondContact O-ND2 3.48Å
135N78.1Confident67Low125 Ų125104 Ų10467%0.66861%0.607SS**Hα-helixtrans-69.3-26.8178.4-162.3104.4000113.1R131 M132 I133R131-N135 WeakPolarHBondContact O-CB 3.37Å; R131-N135 PolarHBondContact O-N 3.47Å; M132-N135 PolarHBondContact O-N 3.33Å; I133-N135 PolarHBondContact O-N 3.02Å
136S74.8Confident66.4Low76 Ų76107.1 Ų107.153%0.53162%0.621SS.*Hα-helixtrans-82.7-22.5174.6-65.70000113.6M132 I133 A134 H139M132-S136 PolarHBondContact O-N 3.42Å; M132-S136 PolarHBondContact O-OG 3.29Å; I133-S136 PolarHBondContact O-N 3.26Å; A134-S136 VanDerWaalsContact C-N 3.32Å; A134-S136 PolarHBondContact O-N 2.85Å; S136-H139 PolarHBondContact O-CD2 3.42Å; S136-H139 PolarHBondContact O-NE2 3.19Å
137L80.9Confident65.3Low126 Ų126108.7 Ų108.766%0.6663%0.627SS**Hα-helixtrans-85.9-33.7174.5-67.8171000111.7I133 A134 H139I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 2.9Å; A134-L137 PolarHBondContact O-N 3.26Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 3.35Å
138N76.5Confident64Low119 Ų119116.1 Ų116.164%0.63665%0.646SS**  trans-80.269.3173.6-63.8-18.2000110.9A134 D140A134-N138 WeakPolarHBondContact O-CB 3.36Å; A134-N138 VanDerWaalsContact O-CG 3.26Å; A134-N138 PolarHBondContact O-N 3.09Å; A134-N138 PolarHBondContact O-ND2 3.48Å; N138-D140 PolarHBondContact O-N 3.24Å
139H62.9Low62.1Low176 Ų176124.7 Ų124.782%0.81566%0.663SS**  trans-72.948.9170.7-89.9-67.3000112.5S136 L137S136-H139 PolarHBondContact O-CD2 3.42Å; S136-H139 PolarHBondContact O-NE2 3.19Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 3.35Å
140D49.9Very low60.5Low148 Ų148126.7 Ų126.779%0.79167%0.673SS**PPolyproline II helixtrans-83.9155.4170-166.316.6000110.7N138N138-D140 PolarHBondContact O-N 3.24Å
141S45.5Very low58.6Low93 Ų93132.9 Ų132.965%0.6570%0.704SS**PPolyproline II helixtrans-76.1150.4-170.8-67.20000112.7
142P57.5Low56.7Low120 Ų120133.7 Ų133.778%0.77972%0.719SS**PPolyproline II helixtrans-61.4139.2178.326-34.7000111
143P53Low54.8Low125 Ų125132.6 Ų132.681%0.81272%0.724SS**PPolyproline II helixtrans-64.6140.5-173.224.8-34.2000112.6T145P143-T145 PolarHBondContact O-N 3.43Å
144H42.5Very low53.2Low172 Ų172133.8 Ų133.880%0.79674%0.736SS**PPolyproline II helixtrans-62.9127-176.4-144.5-81.8000111.9
145T41.5Very low51.7Low97 Ų97137.6 Ų137.660%0.59576%0.761SS**  trans35.797.5155.555.40000118.3P143 T147P143-T145 PolarHBondContact O-N 3.43Å; T145-T147 PolarHBondContact O-N 3.33Å
146P39.9Very low50.8Low132 Ų132141.1 Ų141.186%0.85777%0.77SS**  trans-73.5110.7170.429.4-33.3000112R148P146-R148 PolarHBondContact O-N 3.13Å
147T38.9Very low49.9Very low136 Ų136145 Ų14583%0.83478%0.783SS**  trans-73.195.2176.1-62.70000112T145T145-T147 PolarHBondContact O-N 3.33Å
148R43.2Very low48.2Very low216 Ų216143.8 Ų143.882%0.81579%0.785SS**  trans25.4109146.5-170.5-175.3-166.6-113.92.8117.7P146P146-R148 PolarHBondContact O-N 3.13Å
149R34.1Very low47Very low250 Ų250144 Ų14494%0.94379%0.791SS**  -144.9154.2129.7-110.7169.8-171.2156.63.9110
150S41.8Very low46.2Very low95 Ų95141.8 Ų141.866%0.66479%0.79SS**  trans-126.5126.3-168.452.80000109.9
151D38.4Very low46Very low168 Ų168141.1 Ų141.190%0.89879%0.791SS**  trans-125.5132.6165-82.6-61.9000109.9
152N43.8Very low46Very low166 Ų166141.8 Ų141.889%0.88880%0.795SS**  trans-95.595.2-177.5172.432.4000109.3
153S43.2Very low45.6Very low110 Ų110143.6 Ų143.677%0.76980%0.799SS**  trans-146.9135.2162.8-162.60000112.9
154T49.9Very low45.6Very low120 Ų120147 Ų14774%0.73680%0.801SS**  trans-53.5129.4-16854.20000116.1
155S50.2Low45.6Very low120 Ų120146.7 Ų146.784%0.83980%0.801SS**  trans-156.8135.6145.2-87.10000111.2
156K57.7Low45.3Very low199 Ų199147.1 Ų147.187%0.86582%0.815SS**  trans-105.6111.4-167.4-60.5174-178.11750111.8
157I56.9Low45.2Very low156 Ų156145 Ų14580%0.881%0.809SS**  trans-133.1106.8151-65.889.8000108.2V159I157-V159 HydrophobicContact CG2-CG2 3.96Å
158S44.3Very low45.1Very low101 Ų101147.9 Ų147.971%0.70681%0.809SS**  trans-110.6106.5173.353.30000109.5
159V51.1Low44.8Very low124 Ų124142.7 Ų142.775%0.75281%0.806SS**  trans-10382172.4-175.10000109I157 V161I157-V159 HydrophobicContact CG2-CG2 3.96Å; V159-V161 PolarHBondContact O-N 3.39Å
160T47.4Very low44.8Very low129 Ų129134.9 Ų134.979%0.79180%0.796SS**  trans-79.6104173.648.20000110.3
161V46Very low44.5Very low134 Ų134140.4 Ų140.481%0.81281%0.807SS**  trans-86.8110.1161.2179.70000107.8V159 N163V159-V161 PolarHBondContact O-N 3.39Å; V161-N163 PolarHBondContact O-N 3.37Å
162S44.8Very low44.1Very low107 Ų107136.4 Ų136.475%0.74880%0.798SS**  trans-71.7121.8-175.655.30000112.3
163N49.3Very low43.6Very low159 Ų159132.9 Ų132.985%0.8579%0.792SS**  trans-87.3116.7165.5-169.129.1000109.4V161V161-N163 PolarHBondContact O-N 3.37Å
164K52.9Low43Very low196 Ų196131.9 Ų131.985%0.85279%0.79SS**  trans-104.9127.3178.4-169.6173.2-178.4179.10110.5
165M41.5Very low42.2Very low165 Ų165134.1 Ų134.181%0.81380%0.797SS**  trans-75.8154.4-170.6-55.2-172.7-64.900114.1
166A35Very low41.2Very low107 Ų107132.1 Ų132.188%0.88479%0.788SS**  trans-121144.9144.200000107.5
167A37.9Very low39.7Very low87 Ų87130.4 Ų130.472%0.71978%0.783SS**  trans-138.8150.6-161.500000114.4
168K38.6Very low38.5Very low196 Ų196131.2 Ų131.285%0.85278%0.776SS**  trans-174.5117.6153-99.8170.2177.7-179.70106.2
169S35.7Very low37.8Very low107 Ų107132.1 Ų132.175%0.74877%0.768SS**  67.7132.977.581.10000113.5
170A33.7Very low36.8Very low87 Ų87134.2 Ų134.272%0.71977%0.77SS**  cis-169.1169.3-500000110.8
171K35.9Very low36.1Very low210 Ų210135.2 Ų135.291%0.91377%0.766SS**  trans63.7148.7164.7-96.6171.9171.61760116.5
172A31.3Very low35.4Very low85 Ų85133 Ų13370%0.70276%0.756SS**  cis-145.3166.40.600000112.8
173A31.4Very low35.2Very low91 Ų91135.7 Ų135.775%0.75276%0.761SS**  trans9.7122.8138.300000118
174A31Very low34.7Very low90 Ų90134.1 Ų134.174%0.74476%0.757SS**  91.9118.883.800000111.1
175L33.8Very low34.4Very low166 Ų166130.8 Ų130.887%0.86975%0.753SS**  109.1131.963.4-160.1176.9000107.8
176A29.6Very low34.4Very low79 Ų79128.6 Ų128.665%0.65375%0.751SS**  trans95.7138.5168.500000119.1
177H26.2Very low35Very low163 Ų163129.7 Ų129.776%0.75575%0.747SS**  trans63.2157.7154.4-87.2-133.2000120.5
178R31.2Very low35.3Very low173 Ų173135.8 Ų135.865%0.65376%0.757SS**  cis-171.7157.6-35.5-172.6173.4139.8-169.8-28.9106.5
179E29.8Very low35.9Very low119 Ų119137.5 Ų137.556%0.55676%0.758SS**  trans45.1135.715970.1-139.2128.700122.7
180E30.8Very low36.5Very low168 Ų168143.4 Ų143.479%0.78576%0.764SS**  trans59.4151.4140-64.6-74.966.400120.3
181E31.9Very low37.9Very low151 Ų151151.3 Ų151.371%0.70678%0.776SS**  cis-145.5174.6-1-151.1-164.1132.100109.3
182S31.3Very low38.8Very low86 Ų86145 Ų14560%0.60175%0.754SS**  trans77120147.279.60000120.8
183L40.8Very low40.1Very low164 Ų164144.3 Ų144.386%0.85974%0.742SS**  trans63.3131.2134.1-58.3171.9000121
184V37.6Very low41.5Very low127 Ų127144 Ų14477%0.7774%0.738SS**  trans115.472146.1-151.10000118.7
185V48.3Very low42.9Very low126 Ų126147.1 Ų147.176%0.76474%0.738SS**  trans-4.5125.1158.9178.40000117.9
186P41.6Very low44Very low119 Ų119146.1 Ų146.177%0.77373%0.73SS**  -135.2151.6116.732.8-20.4000115.2
187T45.7Very low45.5Very low130 Ų130149 Ų14980%0.79873%0.73SS**  trans-62.4148.6178.333.30000113.2R189T187-R189 VanDerWaalsContact C-N 3.32Å; T187-R189 PolarHBondContact O-N 3.35Å
188K46.2Very low47.3Very low214 Ų214143.8 Ų143.893%0.9372%0.721SS**  trans-73.876.3-169.3-165.5171.2-175.6171.70113.8
189R51Low49Very low232 Ų232145 Ų14588%0.87573%0.731SS**  trans21.5105154.7-55.3178.381.4173.56.8115.7T187 R191T187-R189 VanDerWaalsContact C-N 3.32Å; T187-R189 PolarHBondContact O-N 3.35Å; R189-R191 PolarHBondContact O-N 3.3Å
190R48.2Very low50.7Low232 Ų232149.4 Ų149.488%0.87574%0.744SS**  trans-50.1139.8149.4-87176.5147.8150.5-10.6108V192R190-V192 WeakPolarHBondContact CB-O 3.5Å; R190-V192 PolarHBondContact O-N 3.04Å; R190-V192 VanDerWaalsContact O-N 3.15Å
191R62.3Low52.6Low253 Ų253148.1 Ų148.196%0.95574%0.741SS**SBendtrans-72.5-2-179.4-165.2177.3-77.2-112.94.7113.3R189R189-R191 PolarHBondContact O-N 3.3Å
192V54.9Low54.4Low77 Ų77146.7 Ų146.747%0.46774%0.737SS.*SBendtrans-140.4132.3-177.6-175.40000106.8R190 M196R190-V192 WeakPolarHBondContact CB-O 3.5Å; R190-V192 PolarHBondContact O-N 3.04Å; R190-V192 VanDerWaalsContact O-N 3.15Å; V192-M196 HydrophobicContact CG1-CB 3.75Å; V192-M196 HydrophobicContact CG1-CG 3.96Å
193T57.7Low55.9Low71 Ų71148.9 Ų148.944%0.43674%0.737SS.*  trans-94158.9171.250.90000110.6E195 M196T193-E195 WeakPolarHBondContact CB-OE1 3.27Å; T193-E195 PolarHBondContact O-N 3.24Å; T193-E195 PolarHBondContact OG1-OE1 3.26Å; T193-M196 VanDerWaalsContact O-CB 3.31Å; T193-M196 WeakPolarHBondContact O-CB 3.44Å; T193-M196 PolarHBondContact O-N 2.98Å
194A62.4Low57.6Low83 Ų83147.5 Ų147.569%0.68673%0.728SS**THydrogen-bonded Turntrans-66-12.5-17200000114.7E197A194-E197 WeakPolarHBondContact O-CG 3.2Å
195E60.4Low59Low157 Ų157146 Ų14673%0.73472%0.721SS**THydrogen-bonded Turntrans-83.5-21.4171.770.9-127.3123.600113.4T193T193-E195 WeakPolarHBondContact CB-OE1 3.27Å; T193-E195 PolarHBondContact O-N 3.24Å; T193-E195 PolarHBondContact OG1-OE1 3.26Å
196M56.1Low59.8Low144 Ų144147.4 Ų147.471%0.70972%0.717SS**THydrogen-bonded Turntrans-80.6-20.3179.3-169.774.568.200111.5V192 T193 G198V192-M196 HydrophobicContact CG1-CB 3.75Å; V192-M196 HydrophobicContact CG1-CG 3.96Å; T193-M196 VanDerWaalsContact O-CB 3.31Å; T193-M196 WeakPolarHBondContact O-CB 3.44Å; T193-M196 PolarHBondContact O-N 2.98Å; M196-G198 PolarHBondContact O-N 3.28Å; M196-G198 VanDerWaalsContact O-N 3.13Å
197E61.4Low60.7Low140 Ų140142.2 Ų142.265%0.65469%0.685SS**SBendtrans-83.548.216657.3-168.8131.700112A194 K199A194-E197 WeakPolarHBondContact O-CG 3.2Å; E197-K199 PolarHBondContact O-N 3.04Å
198G63.5Low61.5Low53 Ų53140.9 Ų140.955%0.54668%0.676SS.*  trans-51.8132.817400000111.9M196 Y200M196-G198 PolarHBondContact O-N 3.28Å; M196-G198 VanDerWaalsContact O-N 3.13Å; G198-Y200 PolarHBondContact O-N 3.17Å; G198-Y200 VanDerWaalsContact O-N 3.16Å
199K67Low62.8Low199 Ų199134.1 Ų134.187%0.86565%0.653SS**  trans-41.2116.4-169.1-168.5174.9-173.9175.20112.5E197 I201E197-K199 PolarHBondContact O-N 3.04Å; K199-I201 PolarHBondContact O-N 2.99Å
200Y65.2Low63.9Low211 Ų211128.3 Ų128.383%0.82765%0.646SS**  trans-67.691.8-167.1-160.7-103000113.1G198 I202G198-Y200 PolarHBondContact O-N 3.17Å; G198-Y200 VanDerWaalsContact O-N 3.16Å; Y200-I202 HydrophobicContact CD1-CD1 4.29Å; Y200-I202 HydrophobicContact CD1-CG1 3.62Å; Y200-I202 HydrophobicContact CE1-CD1 4.44Å; Y200-I202 HydrophobicContact CE1-CG1 3.82Å; Y200-I202 PolarHBondContact O-N 3.47Å; Y200-I202 VanDerWaalsContact O-N 3.11Å
201I71.9Confident64.8Low141 Ų141127 Ų12772%0.72364%0.64SS**  trans-77.396.3177.4-60.2175.3000109.1K199 H203K199-I201 PolarHBondContact O-N 2.99Å; I201-H203 PolarHBondContact O-N 3.41Å
202I69.1Low65.4Low121 Ų121117 Ų11762%0.62161%0.608SS**  trans-68.493.2171.5-56.5178.7000108.6Y200 M204Y200-I202 HydrophobicContact CD1-CD1 4.29Å; Y200-I202 HydrophobicContact CD1-CG1 3.62Å; Y200-I202 HydrophobicContact CE1-CD1 4.44Å; Y200-I202 HydrophobicContact CE1-CG1 3.82Å; Y200-I202 PolarHBondContact O-N 3.47Å; Y200-I202 VanDerWaalsContact O-N 3.11Å; I202-M204 HydrophobicContact CG2-CE 4.21Å; I202-M204 PolarHBondContact O-N 3.45Å
203H63.6Low66.4Low132 Ų132120.7 Ų120.761%0.61161%0.613SS**  trans-77.292.2-179.3-136.2-23000111I201 K206I201-H203 PolarHBondContact O-N 3.41Å; H203-K206 WeakPolarHBondContact CE1-CE 3.49Å
204M75.4Confident67.3Low135 Ų135124.2 Ų124.267%0.66562%0.623SS**  trans-52.2138.1171.1-78.5-80.497.400110.9I202 K206I202-M204 HydrophobicContact CG2-CE 4.21Å; I202-M204 PolarHBondContact O-N 3.45Å; M204-K206 PolarHBondContact O-N 2.9Å; M204-K206 VanDerWaalsContact O-N 3.08Å
205P66.3Low68Low95 Ų95124.2 Ų124.262%0.61761%0.61SS**  trans-65.3112.9-177.926.1-33.6000109.9G207P205-G207 PolarHBondContact O-N 3.27Å
206K66.3Low68.4Low157 Ų157120.2 Ų120.268%0.68359%0.593SS**  trans-66.322-172-60-176.2-178175.90115.7H203 M204 T208H203-K206 WeakPolarHBondContact CE1-CE 3.49Å; M204-K206 PolarHBondContact O-N 2.9Å; M204-K206 VanDerWaalsContact O-N 3.08Å; K206-T208 PolarHBondContact O-N 2.98Å; K206-T208 VanDerWaalsContact O-N 3.09Å
207G59.4Low69.3Low10 Ų10119.4 Ų119.410%0.10359%0.588CS.*SBendtrans69.34.8175.600000115.8P205 T209 R213P205-G207 PolarHBondContact O-N 3.27Å; G207-T209 VanDerWaalsContact C-N 3.31Å; G207-T209 PolarHBondContact O-N 3.44Å; G207-R213 WeakPolarHBondContact O-CG 3.1Å
208T63.8Low69.8Low101 Ų101119.1 Ų119.162%0.6259%0.586SS**  trans-65.4-27.5-166.2-36.70000114.5K206K206-T208 PolarHBondContact O-N 2.98Å; K206-T208 VanDerWaalsContact O-N 3.09Å
209T73.9Confident69.8Low73 Ų73122.3 Ų122.345%0.44859%0.587SS.*SBendtrans-73.9144.7178.188.80000111.4G207 R211 T212 R213G207-T209 VanDerWaalsContact C-N 3.31Å; G207-T209 PolarHBondContact O-N 3.44Å; T209-R211 PolarHBondContact O-N 2.86Å; T209-T212 PolarHBondContact O-N 3.07Å; T209-T212 PolarHBondContact OG1-N 3.15Å; T209-T212 VanDerWaalsContact OG1-N 3.07Å; T209-T212 PolarHBondContact OG1-OG1 3.04Å; T209-R213 PolarHBondContact O-N 3.29Å
210P72.7Confident69.6Low110 Ų110118.7 Ų118.771%0.71457%0.573SS**Hα-helixtrans-60.6-31.5179.824.1-34000112.6K214P210-K214 PolarHBondContact O-N 3.34Å; P210-K214 VanDerWaalsContact O-N 3.13Å
211R67.8Low69.2Low203 Ų203112.5 Ų112.577%0.76657%0.566SS**Hα-helixtrans-65.3-42.7174.1-170.6177-177.3-1771.2111.6T209 I215T209-R211 PolarHBondContact O-N 2.86Å; R211-I215 HydrophobicContact CG-CD1 4.25Å; R211-I215 WeakPolarHBondContact O-CD1 3.31Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.21Å; R211-I215 PolarHBondContact O-N 2.99Å
212T75.1Confident68.4Low43 Ų43109.8 Ų109.826%0.26456%0.564SS.*Hα-helixtrans-71.4-39.9177.6-43.30000111.6T209 K214 I215 L216T209-T212 PolarHBondContact O-N 3.07Å; T209-T212 PolarHBondContact OG1-N 3.15Å; T209-T212 VanDerWaalsContact OG1-N 3.07Å; T209-T212 PolarHBondContact OG1-OG1 3.04Å; T212-K214 PolarHBondContact O-N 3.39Å; T212-I215 PolarHBondContact O-N 3.17Å; T212-L216 WeakPolarHBondContact O-CB 3.49Å; T212-L216 PolarHBondContact O-N 3.09Å
213R74.7Confident67.7Low156 Ų156111.7 Ų111.759%0.58957%0.568SS**Hα-helixtrans-54.3-53.8174.2-66.3-168.8-171.6179.92.1111.2G207 T209 I215 L216 E217G207-R213 WeakPolarHBondContact O-CG 3.1Å; T209-R213 PolarHBondContact O-N 3.29Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.97Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-L216 VanDerWaalsContact O-N 3.07Å; R213-E217 VanDerWaalsContact O-CB 3.26Å; R213-E217 WeakPolarHBondContact O-CB 3.48Å; R213-E217 PolarHBondContact O-N 3.46Å
214K78.3Confident66.9Low145 Ų145108.6 Ų108.663%0.6357%0.571SS**Hα-helixtrans-58.4-37.8-179.3-172.2169-175.6170.20113P210 T212 Q218P210-K214 PolarHBondContact O-N 3.34Å; P210-K214 VanDerWaalsContact O-N 3.13Å; T212-K214 PolarHBondContact O-N 3.39Å; K214-Q218 WeakPolarHBondContact O-CB 3.47Å; K214-Q218 PolarHBondContact O-N 3.11Å
215I75.6Confident65.7Low82 Ų82109.7 Ų109.742%0.42158%0.579SS.*Hα-helixtrans-68.4-41.9176.4-67.9165000111.3R211 T212 R213 Q219R211-I215 HydrophobicContact CG-CD1 4.25Å; R211-I215 WeakPolarHBondContact O-CD1 3.31Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.21Å; R211-I215 PolarHBondContact O-N 2.99Å; T212-I215 PolarHBondContact O-N 3.17Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.97Å; I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.48Å; I215-Q219 PolarHBondContact O-N 2.96Å
216L70.4Confident65Low73 Ų73113.6 Ų113.638%0.38259%0.589SS.*Hα-helixtrans-74.7-40.6-176.4-144.3159000111.3T212 R213 Q219 Q220T212-L216 WeakPolarHBondContact O-CB 3.49Å; T212-L216 PolarHBondContact O-N 3.09Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-L216 VanDerWaalsContact O-N 3.07Å; L216-Q219 PolarHBondContact O-N 3.12Å; L216-Q220 HydrophobicContact CD2-CG 4.33Å; L216-Q220 WeakPolarHBondContact O-CG 3.43Å; L216-Q220 PolarHBondContact O-N 3.42Å
217E74.1Confident64.6Low128 Ų128117.7 Ų117.760%0.59860%0.6SS**Hα-helixtrans-59.9-46.9169.7178.6178.5-134.500111.4R213 Q219 Q220 A221R213-E217 VanDerWaalsContact O-CB 3.26Å; R213-E217 WeakPolarHBondContact O-CB 3.48Å; R213-E217 PolarHBondContact O-N 3.46Å; E217-Q219 VanDerWaalsContact C-N 3.28Å; E217-Q219 PolarHBondContact O-N 3.37Å; E217-Q220 CarbonylContact O-C 3.6Å; E217-Q220 PolarHBondContact O-N 3.36Å; E217-A221 WeakPolarHBondContact O-CB 3.39Å; E217-A221 PolarHBondContact O-N 3.01Å
218Q71.1Confident64.6Low133 Ų133121.6 Ų121.662%0.62162%0.622SS**Hα-helixtrans-63.9-32.5176.4-170.9171.511.100112.3K214 A222K214-Q218 WeakPolarHBondContact O-CB 3.47Å; K214-Q218 PolarHBondContact O-N 3.11Å; Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 3.39Å
219Q64.1Low65Low120 Ų120119 Ų11956%0.56161%0.608SS**Hα-helixtrans-73.4-26.6171.4-74.2177.219.600113.6I215 L216 E217 K223I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.48Å; I215-Q219 PolarHBondContact O-N 2.96Å; L216-Q219 PolarHBondContact O-N 3.12Å; E217-Q219 VanDerWaalsContact C-N 3.28Å; E217-Q219 PolarHBondContact O-N 3.37Å; Q219-K223 WeakPolarHBondContact O-CG 3.14Å
220Q63.3Low64.5Low124 Ų124120.2 Ų120.258%0.57962%0.615SS**Hα-helixtrans-78.6-43.8173.6-74.1173.5-9.200111.3L216 E217 A222 K223L216-Q220 HydrophobicContact CD2-CG 4.33Å; L216-Q220 WeakPolarHBondContact O-CG 3.43Å; L216-Q220 PolarHBondContact O-N 3.42Å; E217-Q220 CarbonylContact O-C 3.6Å; E217-Q220 PolarHBondContact O-N 3.36Å; Q220-A222 VanDerWaalsContact C-N 3.26Å; Q220-A222 PolarHBondContact O-N 2.96Å; Q220-K223 WeakPolarHBondContact O-CA 3.28Å; Q220-K223 WeakPolarHBondContact O-CB 3.37Å; Q220-K223 PolarHBondContact O-N 2.79Å
221A56.8Low64.1Low81 Ų81123.1 Ų123.167%0.66962%0.617SS**Hα-helixtrans-63.4-30.8172.700000112.6E217 K223E217-A221 WeakPolarHBondContact O-CB 3.39Å; E217-A221 PolarHBondContact O-N 3.01Å; A221-K223 PolarHBondContact O-N 3.3Å
222A54.8Low64.4Low83 Ų83118.1 Ų118.169%0.68661%0.605SS**THydrogen-bonded Turntrans-70.8-13.1171.100000114Q218 Q220 G224Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 3.39Å; Q220-A222 VanDerWaalsContact C-N 3.26Å; Q220-A222 PolarHBondContact O-N 2.96Å; A222-G224 PolarHBondContact O-N 2.91Å; A222-G224 VanDerWaalsContact O-N 3.12Å
223K53.5Low64Low162 Ų162124.6 Ų124.670%0.70463%0.625SS**  trans-85.152.6168.6-67.1175.8-178.4-175.20110.8Q219 Q220 A221 L225Q219-K223 WeakPolarHBondContact O-CG 3.14Å; Q220-K223 WeakPolarHBondContact O-CA 3.28Å; Q220-K223 WeakPolarHBondContact O-CB 3.37Å; Q220-K223 PolarHBondContact O-N 2.79Å; A221-K223 PolarHBondContact O-N 3.3Å; K223-L225 PolarHBondContact O-N 3.44Å
224G46.8Very low63.8Low66 Ų66121.9 Ų121.968%0.6862%0.622SS**  trans-62.2102.5170.600000110.6A222A222-G224 PolarHBondContact O-N 2.91Å; A222-G224 VanDerWaalsContact O-N 3.12Å
225L51.4Low63Low158 Ų158116.5 Ų116.583%0.82761%0.607SS**SBendtrans61.3134.9-174.2-159.766.1000114.4K223 R227K223-L225 PolarHBondContact O-N 3.44Å; L225-R227 PolarHBondContact O-N 3.07Å
226H51.6Low62.1Low177 Ų177115.9 Ų115.982%0.81962%0.615SS**  trans-62.2102.9176.9-73.4-120.1000110T228H226-T228 PolarHBondContact O-N 2.95Å
227R58Low61.5Low244 Ų244119 Ų11992%0.92163%0.627SS**  trans-63.6102.1161.7-76.4-172.3171.1-162.8-4107L225 S229L225-R227 PolarHBondContact O-N 3.07Å; R227-S229 PolarHBondContact O-N 3.22Å
228T58.3Low60.7Low91 Ų91116.5 Ų116.556%0.55862%0.623SS**  trans-51.8128.6179.844.60000109.5H226H226-T228 PolarHBondContact O-N 2.95Å
229S72.2Confident60.1Low47 Ų47118.9 Ų118.933%0.32963%0.632SS.*  trans-60.8147.5179.3-170.30000108.8R227 F231 D232 R233R227-S229 PolarHBondContact O-N 3.22Å; S229-F231 PolarHBondContact O-N 3.04Å; S229-F231 PolarHBondContact OG-N 3.36Å; S229-D232 WeakPolarHBondContact CA-OD2 3.26Å; S229-D232 WeakPolarHBondContact CB-OD2 3.42Å; S229-D232 PolarHBondContact N-OD2 2.98Å; S229-D232 WeakPolarHBondContact O-CB 3.49Å; S229-D232 PolarHBondContact O-N 3.41Å; S229-R233 PolarHBondContact O-N 2.86Å; S229-R233 VanDerWaalsContact O-N 3.07Å
230V64.3Low59.2Low99 Ų99117.2 Ų117.260%0.664%0.639SS**Hα-helixtrans-58.6-33171.5-1720000109.4R233 L234V230-R233 PolarHBondContact O-N 3.28Å; V230-L234 HydrophobicContact CG1-CD1 3.9Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 WeakPolarHBondContact O-CB 3.48Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.45Å
231F64.8Low58Low171 Ų171118.4 Ų118.475%0.7565%0.649SS**Hα-helixtrans-69-29.9172.7-58.6-75.6000114.1S229 G235S229-F231 PolarHBondContact O-N 3.04Å; S229-F231 PolarHBondContact OG-N 3.36Å; F231-G235 WeakPolarHBondContact O-CA 3.37Å; F231-G235 PolarHBondContact O-N 3.29Å
232D72.7Confident57.9Low98 Ų98120.7 Ų120.752%0.52466%0.655SS.*Hα-helixtrans-71-41.5174.4-54.7-28.7000109.9S229 G235 A236S229-D232 WeakPolarHBondContact CA-OD2 3.26Å; S229-D232 WeakPolarHBondContact CB-OD2 3.42Å; S229-D232 PolarHBondContact N-OD2 2.98Å; S229-D232 WeakPolarHBondContact O-CB 3.49Å; S229-D232 PolarHBondContact O-N 3.41Å; D232-G235 PolarHBondContact O-N 3.27Å; D232-A236 WeakPolarHBondContact O-CB 3.37Å; D232-A236 PolarHBondContact O-N 3.27Å
233R68.2Low57.6Low179 Ų179122.4 Ų122.468%0.67566%0.657SS**Hα-helixtrans-67-44.3179-70178.859.4-174.4-4.3112.5S229 V230S229-R233 PolarHBondContact O-N 2.86Å; S229-R233 VanDerWaalsContact O-N 3.07Å; V230-R233 PolarHBondContact O-N 3.28Å
234L69.1Low57.1Low99 Ų99120.8 Ų120.852%0.51866%0.661SS.*Hα-helixtrans-78-19.6176.1-62.1174.3000112.8V230 E237V230-L234 HydrophobicContact CG1-CD1 3.9Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 WeakPolarHBondContact O-CB 3.48Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.45Å; L234-E237 WeakPolarHBondContact CA-OE1 3.01Å; L234-E237 WeakPolarHBondContact CD2-OE1 3.05Å; L234-E237 WeakPolarHBondContact O-CG 3.34Å
235G61.2Low57.5Low32 Ų32121.2 Ų121.233%0.3367%0.665SS.*Hα-helixtrans-76.2-41.3174.300000112.5F231 D232 E237 S238F231-G235 WeakPolarHBondContact O-CA 3.37Å; F231-G235 PolarHBondContact O-N 3.29Å; D232-G235 PolarHBondContact O-N 3.27Å; G235-E237 VanDerWaalsContact C-N 3.33Å; G235-E237 PolarHBondContact O-N 3.27Å; G235-S238 WeakPolarHBondContact O-CB 3.31Å; G235-S238 PolarHBondContact O-N 3.34Å; G235-S238 VanDerWaalsContact O-N 3.1Å; G235-S238 PolarHBondContact O-OG 2.8Å
236A58.4Low57.6Low69 Ų69120 Ų12057%0.5766%0.664SS**Hα-helixtrans-61.9-35.2-176.100000113.8D232 S238D232-A236 WeakPolarHBondContact O-CB 3.37Å; D232-A236 PolarHBondContact O-N 3.27Å; A236-S238 PolarHBondContact O-N 3.02Å
237E56.4Low58.1Low139 Ų139120.4 Ų120.465%0.6566%0.664SS**THydrogen-bonded Turntrans-70.9-11.9177.461.4-171.3165.500113.9L234 G235L234-E237 WeakPolarHBondContact CA-OE1 3.01Å; L234-E237 WeakPolarHBondContact CD2-OE1 3.05Å; L234-E237 WeakPolarHBondContact O-CG 3.34Å; G235-E237 VanDerWaalsContact C-N 3.33Å; G235-E237 PolarHBondContact O-N 3.27Å
238S58.5Low58.1Low74 Ų74114.5 Ų114.552%0.51766%0.657SS.*THydrogen-bonded Turntrans-891179.776.60000115.2G235 A236G235-S238 WeakPolarHBondContact O-CB 3.31Å; G235-S238 PolarHBondContact O-N 3.34Å; G235-S238 VanDerWaalsContact O-N 3.1Å; G235-S238 PolarHBondContact O-OG 2.8Å; A236-S238 PolarHBondContact O-N 3.02Å
239K58Low58.3Low183 Ų183117.4 Ų117.480%0.79668%0.675SS**SBendtrans-140.924.9-171.2-55.8-64.2159.2-157.20114.6
240A44.1Very low57.9Low86 Ų86116.9 Ų116.971%0.71168%0.677SS**  trans-115.3124.4172.700000109.9
241D39.3Very low57.8Low149 Ų149118.1 Ų118.180%0.79768%0.684SS**  trans-86.1157.3-174-160.51.5000112.8T243D241-T243 PolarHBondContact O-N 3.04Å
242T53.4Low57.4Low128 Ų128118.7 Ų118.779%0.78569%0.687SS**  trans-30.9109.4170.9-45.60000115.7
243T49.8Very low56.9Low120 Ų120118.7 Ų118.774%0.73670%0.695SS**  trans-172.5155.1134.9-175.90000112.8D241D241-T243 PolarHBondContact O-N 3.04Å
244T42.7Very low56.6Low127 Ų127120.9 Ų120.978%0.77970%0.703SS**  trans57.490.4161.5-51.10000116.2
245G55.9Low56Low75 Ų75123.5 Ų123.577%0.77372%0.717SS**  trans-82.4151.1-175.800000115.9
246T53.4Low55.8Low132 Ų132125.4 Ų125.481%0.8174%0.736SS**  trans-146116.8153.5-54.70000110.3
247K61.7Low54.9Low187 Ų187126.7 Ų126.781%0.81375%0.747SS**  trans19.2106.1163.7-62.6173.9-177.6174.90117.4T249K247-T249 PolarHBondContact O-N 2.93Å; K247-T249 VanDerWaalsContact O-N 3.17Å
248P58.4Low54.4Low119 Ų119126.8 Ų126.877%0.77376%0.757SS**  trans-67.6115174.528.3-33.9000111.5G250P248-G250 VanDerWaalsContact C-N 3.29Å; P248-G250 PolarHBondContact O-N 2.99Å
249T60.8Low53.9Low152 Ų152129 Ų12993%0.93377%0.77SS**  trans-79.480.8168.2-710000109K247K247-T249 PolarHBondContact O-N 2.93Å; K247-T249 VanDerWaalsContact O-N 3.17Å
250G65.4Low53.2Low36 Ų36128.1 Ų128.137%0.37177%0.769SS.*  trans-103.6142.6177.600000112.3P248 F252 S253P248-G250 VanDerWaalsContact C-N 3.29Å; P248-G250 PolarHBondContact O-N 2.99Å; G250-F252 PolarHBondContact O-N 3.02Å; G250-F252 VanDerWaalsContact O-N 3.15Å; G250-S253 WeakPolarHBondContact O-CB 3.04Å; G250-S253 PolarHBondContact O-N 2.7Å; G250-S253 VanDerWaalsContact O-N 3.09Å
251V60.8Low53.3Low125 Ų125132.6 Ų132.676%0.75878%0.777SS**G310 helixtrans-58.8-29.7-179.9-177.70000112.2S253 R254V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 3.1Å; V251-R254 PolarHBondContact O-N 3.34Å
252F56.3Low53.6Low184 Ų184132.3 Ų132.381%0.80778%0.775SS**G310 helixtrans-63.4-25.2177.7-67.9-82.5000114.3G250 R254 L255G250-F252 PolarHBondContact O-N 3.02Å; G250-F252 VanDerWaalsContact O-N 3.15Å; F252-R254 PolarHBondContact O-N 3.07Å; F252-L255 PolarHBondContact O-N 3.2Å
253S63.7Low53.1Low98 Ų98134.8 Ų134.869%0.68578%0.778SS**G310 helixtrans-68.6-3178.9-55.90000114.2G250 V251G250-S253 WeakPolarHBondContact O-CB 3.04Å; G250-S253 PolarHBondContact O-N 2.7Å; G250-S253 VanDerWaalsContact O-N 3.09Å; V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 3.1Å
254R60.3Low52.9Low224 Ų224137.1 Ų137.185%0.84579%0.786SS**G310 helixtrans-95-2.6176-82.3178.7137.4-104-1115V251 F252V251-R254 PolarHBondContact O-N 3.34Å; F252-R254 PolarHBondContact O-N 3.07Å
255L58Low53.1Low155 Ų155139.2 Ų139.281%0.81279%0.791SS**SBendtrans-114.522.9-172.9-67.4175.8000114.2F252F252-L255 PolarHBondContact O-N 3.2Å
256G55.5Low52.9Low72 Ų72140.5 Ų140.574%0.74280%0.795SS**  trans-153.760.6-173.300000115
257A40.3Very low52.3Low96 Ų96146 Ų14679%0.79380%0.801SS**  trans-160.381.9166.800000111.6
258T47Very low51.2Low140 Ų140143.6 Ų143.686%0.85980%0.797SS**  trans-93.7134.8158.944.20000109.7
259P47Very low50.3Low121 Ų121143.2 Ų143.279%0.78680%0.797SS**  trans-125.2136.7142.434.3-25.2000111.1
260E44.2Very low49.6Very low165 Ų165143.5 Ų143.577%0.77179%0.793SS**  trans-60138.2167.1-55.8-65.115700110.7
261M45.4Very low48.6Very low180 Ų180148.5 Ų148.589%0.88781%0.811SS**  trans-149.1119.6147.5-74.3-161.616700108.7
262D44.9Very low47.8Very low143 Ų143149.7 Ų149.777%0.76581%0.813SS**  trans-72.9135.7176.6-38.5-116.7000111.2
263E44.3Very low47.4Very low180 Ų180145.5 Ų145.584%0.84181%0.807SS**  trans-150123.4159.9-62.7-65.9177.800109.3L265E263-L265 PolarHBondContact O-N 3.13Å
264D45.3Very low46.6Very low169 Ų169146.3 Ų146.390%0.90481%0.812SS**  trans-74.4120.2175.9-93.5-51.7000111.5
265L45.9Very low45.8Very low170 Ų170141.3 Ų141.389%0.8981%0.812SS**  trans-140.8121.7160.6-75.9-179.6000111.2E263E263-L265 PolarHBondContact O-N 3.13Å
266A52.8Low45.3Very low103 Ų103139.6 Ų139.685%0.85181%0.813SS**  trans-68.2135.1172.800000111
267W40.9Very low45Very low248 Ų248141.3 Ų141.394%0.93981%0.814SS**  trans-132.2141.7162.8-161.4-93.3000110.3
268D37.4Very low45.4Very low135 Ų135142.3 Ų142.372%0.72281%0.809SS**  trans-76.9148.6-173.9-154.1-7.6000111.8D270D268-D270 PolarHBondContact O-N 2.93Å
269S40.1Very low45.6Very low111 Ų111142.9 Ų142.978%0.77681%0.807SS**  trans-100.337.2-163.3-173.40000114.6N271S269-N271 PolarHBondContact O-N 2.82Å; S269-N271 VanDerWaalsContact O-N 3.1Å
270D46.4Very low45.9Very low159 Ų159145.7 Ų145.785%0.8581%0.809SS**  trans-79.486171.9-91.7-24.4000111.7D268D268-D270 PolarHBondContact O-N 2.93Å
271N44.6Very low45.8Very low140 Ų140148.7 Ų148.775%0.74982%0.815SS**  trans-105.579.1166.4-17694.9000110.2S269S269-N271 PolarHBondContact O-N 2.82Å; S269-N271 VanDerWaalsContact O-N 3.1Å
272D43.6Very low46.1Very low151 Ų151144.8 Ų144.881%0.80781%0.811SS**  trans-64.6148.2171.7-173.925.7000111.8
273S48.5Very low46.2Very low96 Ų96141.2 Ų141.267%0.67181%0.808SS**  trans-103.194.3-169.9-69.80000112.5
274S45.5Very low46.8Very low114 Ų114140 Ų14080%0.79781%0.813SS**  trans-161108.4160.1-91.20000115.7
275S44.3Very low47Very low119 Ų119139.5 Ų139.583%0.83281%0.809SS**  trans-168.388.7135.441.60000112.4S277S275-S277 PolarHBondContact O-N 3.47Å
276S47.6Very low47.3Very low119 Ų119140.7 Ų140.783%0.83281%0.807SS**  trans-68.9119.8157.6179.10000108.7
277S48.8Very low47Very low109 Ų109145.8 Ų145.876%0.76281%0.81SS**  trans-126.592.6173.5-167.60000110S275 L279S275-S277 PolarHBondContact O-N 3.47Å; S277-L279 PolarHBondContact O-N 3.07Å
278V49.3Very low47.2Very low116 Ų116141.8 Ų141.870%0.70381%0.806SS**  trans-70.8116177.1174.70000109Q280V278-Q280 PolarHBondContact O-N 2.82Å
279L49.8Very low47.5Very low153 Ų153139 Ų13980%0.80181%0.81SS**  trans-63.995.8173.9-78.5168.5000110.8S277 Y281S277-L279 PolarHBondContact O-N 3.07Å; L279-Y281 PolarHBondContact O-N 2.76Å
280Q53.8Low47.3Very low179 Ų179145.4 Ų145.484%0.83682%0.817SS**  trans-65.5119.5169.8-72.7-175-20.300109.8V278 A282V278-Q280 PolarHBondContact O-N 2.82Å; Q280-A282 PolarHBondContact O-N 2.98Å
281Y41.8Very low47.2Very low229 Ų229141 Ų14190%0.89881%0.809SS**  trans-68.191173.2-86-101000110.4L279 G283L279-Y281 PolarHBondContact O-N 2.76Å; Y281-G283 PolarHBondContact O-N 2.95Å; Y281-G283 VanDerWaalsContact O-N 3.09Å
282A52.2Low47.3Very low97 Ų97140.6 Ų140.680%0.80281%0.814SS**  trans-63.5108.9172.700000110.2Q280Q280-A282 PolarHBondContact O-N 2.98Å
283G47.8Very low46.7Very low68 Ų68140 Ų14070%0.70182%0.816SS**  trans-61.7144.717900000112.6Y281 L285Y281-G283 PolarHBondContact O-N 2.95Å; Y281-G283 VanDerWaalsContact O-N 3.09Å; G283-L285 VanDerWaalsContact C-N 3.32Å; G283-L285 PolarHBondContact O-N 3.49Å
284V56.1Low46.1Very low156 Ų156144.8 Ų144.895%0.94583%0.825SS**  trans-72.383.7-179.7-176.40000110.4
285L49.8Very low45.5Very low158 Ų158144 Ų14483%0.82783%0.825SS**  trans-94.2137.6175.6-151.970.6000111.6G283G283-L285 VanDerWaalsContact C-N 3.32Å; G283-L285 PolarHBondContact O-N 3.49Å
286K51.6Low45.1Very low194 Ų194143.4 Ų143.484%0.84382%0.821SS**  trans-65.2136.3-175-66.8169177.4172.90111.3L288K286-L288 PolarHBondContact O-N 2.79Å
287K47.9Very low44.7Very low211 Ų211141.4 Ų141.492%0.91781%0.812SS**  trans-84.3104.4175.1-58.2-166.5-179.6-169.50110.6
288L44.5Very low44.3Very low163 Ų163144.5 Ų144.585%0.85381%0.814SS**  trans-94.2136.9153.7-89.966.2000107.5K286K286-L288 PolarHBondContact O-N 2.79Å
289G44Very low44.5Very low78 Ų78144.6 Ų144.680%0.80482%0.817SS**  trans-88.7154.3-170.400000114.7
290R36.6Very low43.8Very low245 Ų245141 Ų14193%0.92581%0.809SS**  trans-156.5133.5154.1-158.6169.2-65.5-108.70.2108.6
291G44.3Very low43.1Very low67 Ų67140.3 Ų140.369%0.69181%0.811SS**  trans-94.4159.9172.200000111.7
292P45.1Very low42.8Very low130 Ų130134.9 Ų134.984%0.84480%0.801SS**  trans-100.4141.217536-30.2000112.6
293T31.2Very low42Very low139 Ų139137.1 Ų137.185%0.85381%0.805SS**  trans-134.1134.6165.642.60000110.8
294K35.3Very low41.4Very low197 Ų197143.4 Ų143.486%0.85781%0.813SS**  trans58.8130.8154.9-161.1175.9-176.3-179.20119.6
295A32.9Very low40.7Very low97 Ų97140.6 Ų140.680%0.80281%0.806SS**  trans-123168.8164.400000111
296S36.1Very low39.7Very low106 Ų106142.3 Ų142.374%0.74181%0.807SS**  trans-157.4162.1-171.4-850000111.9
297A40.1Very low39Very low77 Ų77137.4 Ų137.464%0.63680%0.802SS**  cis-177.8142.7-23.300000111.4
298Q40.6Very low38.4Very low175 Ų175133.1 Ų133.182%0.81879%0.794SS**  trans68.6165.3157.1-61.7-63.8-22.200118.2
299P53.8Low38.1Very low117 Ų117130.6 Ų130.676%0.7679%0.79SS**  cis-116.9-162.4-1.544.2-29.6000112.7
300A35.2Very low37.8Very low78 Ų78132.8 Ų132.865%0.64579%0.793SS**  cis-157.2151.43.600000115.5
301L38.3Very low37.8Very low164 Ų164125 Ų12586%0.85978%0.781SS**  trans70.2-141.1144.7-63.3176.3000123
302T35.3Very low37.2Very low115 Ų115127.8 Ų127.871%0.70679%0.785SS**  trans-143.9168.2-130.3510000114.7
303V36.3Very low36.6Very low144 Ų144127 Ų12787%0.87378%0.778SS**  -157.4-17865.6167.80000111.6
304K34.8Very low36.6Very low200 Ų200126.5 Ų126.587%0.8778%0.775SS**  trans-122.2124.3-156.6165.6-164.2175.8-174.40115.8
305A40.7Very low36.4Very low97 Ų97121.4 Ų121.480%0.80277%0.77SS**  trans-168.5149.7156.300000109.1
306K30.3Very low36.5Very low195 Ų195123.2 Ų123.285%0.84877%0.771SS**  cis102.268.916-169.556.7-178.8-177.10116.6
307A36Very low36.5Very low90 Ų90124.1 Ų124.174%0.74477%0.772SS**  trans-155.6138.5149.200000106.1
308T34.6Very low37.4Very low122 Ų122125.9 Ų125.975%0.74878%0.777SS**  cis74.881.645.9-55.20000114.2
309S38.2Very low36.9Very low110 Ų110126.3 Ų126.377%0.76978%0.776SS**  -177.4126.612857.70000113
310S38.8Very low36.1Very low123 Ų123127.5 Ų127.586%0.8678%0.775SS**  trans20.5145.5135.8-46.40000121.3
311A35.4Very low36.1Very low82 Ų82135 Ų13568%0.67879%0.787SS**  cis-168.1146.5-10.900000107.7
312T32.3Very low35.9Very low126 Ų126138.2 Ų138.277%0.77379%0.788SS**  55.5117.391.7-37.50000112.7
313T32.7Very low35.7Very low114 Ų114140.9 Ų140.970%0.69980%0.796SS**  cis-167.5166.38.813.10000114
314T31.4Very low35.5Very low127 Ų127138 Ų13878%0.77979%0.788SS**  trans52.6119.5147.355.60000123.9
315A31.8Very low35.6Very low91 Ų91136.4 Ų136.475%0.75279%0.788SS**  trans-7.9152.3137.600000121.7
316T34.4Very low35.8Very low135 Ų135137.8 Ų137.883%0.82879%0.789SS**  -177.9163.9112.9-700000111
317T36.3Very low35.8Very low124 Ų124134.2 Ų134.276%0.76179%0.788SS**  trans-101.3-160.618053.20000112
318P57.4Low35.8Very low114 Ų114140.8 Ų140.874%0.7479%0.794SS**  -124.5-164.5-76.336.5-19000113.8
319K30.6Very low36.3Very low184 Ų184140.9 Ų140.980%0.880%0.797SS**  trans111.2118.3138-159.1175.7-176.4178.60121.3
320L36.5Very low35.9Very low142 Ų142139 Ų13974%0.74379%0.794SS**  trans57.3122.4147.9-68.2173.8000124.2
321R36.4Very low35.7Very low237 Ų237140.7 Ų140.789%0.89479%0.793SS**  173.3131.5119.6-91.8158174.7130.3-6108.3
322R33.6Very low35.6Very low231 Ų231142.7 Ų142.787%0.87279%0.788SS**  75.1120.960.3179.3178.7-80.4-133.10.6114.1
323L30.8Very low35.8Very low170 Ų170144.5 Ų144.589%0.8979%0.785SS**  trans145.2148.5160.4-84168.9000107.9
324A31.6Very low35.9Very low84 Ų84147.8 Ų147.869%0.69479%0.79SS**  cis-149.3177.61.800000112.5
325L36.9Very low36.8Very low167 Ų167145.9 Ų145.987%0.87478%0.78SS**  trans-110.7155.6161.9-94.988.2000108.3
326P45Very low36.7Very low125 Ų125147.8 Ų147.881%0.81278%0.777SS**  -135.6-173.668.929.5-6.1000113.1
327S32.1Very low36.8Very low120 Ų120146 Ų14684%0.83977%0.77SS**  cis-151.8-174.622.4-160.30000114.8
328R34.9Very low37.2Very low229 Ų229148.3 Ų148.386%0.86478%0.777SS**  trans-123.5-173.4-179.7-118.9-170.9170.6-168.4-2.3109.1
329P45.8Very low36.8Very low124 Ų124148.6 Ų148.681%0.80578%0.778SS**  cis-136.2-175.22.841.5-22.4000116.8
330G28.4Very low37.6Very low69 Ų69149.6 Ų149.671%0.71178%0.783SS**  trans135.6102.7169.900000111.1
331L36.3Very low38Very low160 Ų160149.3 Ų149.384%0.83879%0.787SS**  70.4105.552.2-154.875.7000110.7
332E33.3Very low38.7Very low124 Ų124142.9 Ų142.958%0.57978%0.778SS**  -150.1159.672.9-90.2-79.587.300116.2
333K35.3Very low39.5Very low163 Ų163139.8 Ų139.871%0.70978%0.777SS**  trans-13.9155.6156.4-57.8175.9-169.677.90117.9
334K35Very low40.4Very low184 Ų184139.1 Ų139.180%0.877%0.774SS**  cis-179.4-167-12.8-139.7-151.6143.5-143.20104.5
335P49.8Very low41.2Very low87 Ų87144.4 Ų144.457%0.56578%0.784SS**  trans-129.8-139.5-140.437.8-11.3000114.5
336D29.4Very low41.6Very low131 Ų131148.6 Ų148.670%0.70179%0.788SS**  trans87.3145.1167-47.7-35.7000117.2
337S36.9Very low41.6Very low97 Ų97149.8 Ų149.868%0.67879%0.787SS**  -173.5109.3-54.647.40000112.7
338L44.6Very low41.9Very low173 Ų173147.5 Ų147.591%0.90678%0.782SS**  trans58.5179.1161.9-58178.7000116.7
339P50.2Low42.1Very low119 Ų119145 Ų14577%0.77378%0.777SS**  cis-119.7-172.5-16.131.3-10.9000114
340K46.6Very low41.7Very low205 Ų205144 Ų14489%0.89178%0.779SS**  trans-80.5148.7178.8-63.7159.8178.2171.10112.4
341V45.3Very low42Very low137 Ų137145.6 Ų145.683%0.8379%0.786SS**  trans-127.2127.4163.6-176.80000112.3
342S50.3Low42Very low101 Ų101144.1 Ų144.171%0.70678%0.784SS**  trans-40.1141.2175.7-169.80000117.9
343I50.6Low42.1Very low166 Ų166145 Ų14585%0.85180%0.797SS**  trans-100.191166.1-57171.2000108.8
344L49.4Very low42.2Very low157 Ų157142 Ų14282%0.82280%0.796SS**  trans-157.744.7173.8-149.575.9000117.3
345Q50.1Low42Very low194 Ų194142.7 Ų142.791%0.90780%0.802SS**  trans-150.888.5168.4-149.3171.917.100116.1
346R45.2Very low41.5Very low255 Ų255142.6 Ų142.696%0.96281%0.809SS**  trans-158.244.8154.9-133.7170.9175.9-172.9-4.3115G348R346-G348 PolarHBondContact O-N 3.15Å
347L44.7Very low41.9Very low151 Ų151145.6 Ų145.679%0.79182%0.819SS**  trans-83.988.5174.9-170.272.3000111.2
348G37.4Very low41.9Very low71 Ų71147.1 Ų147.173%0.73282%0.82SS**  trans-76.8127.1171.400000112.1R346R346-G348 PolarHBondContact O-N 3.15Å
349K40.6Very low42.3Very low177 Ų177144.4 Ų144.477%0.7782%0.815SS**  trans-123151163.5-11173.3171.3-174.50108.4
350A35.7Very low41.6Very low102 Ų102146.9 Ų146.984%0.84382%0.816SS**  trans-83.4159.2-177.600000112.8
351A35.1Very low40.9Very low103 Ų103143.3 Ų143.385%0.85181%0.811SS**  trans-135150.5162.500000108.8
352V37.3Very low40.5Very low130 Ų130142.7 Ų142.779%0.78881%0.808SS**  trans-116135.3-178.2170.30000109
353V34.9Very low39.8Very low143 Ų143143 Ų14387%0.86781%0.81SS**  trans-140.1138.3160.7176.60000107.9
354S37.4Very low39.4Very low98 Ų98141.8 Ų141.869%0.68581%0.811SS**  trans-105.2156.9170.4-52.50000109.3
355E30.3Very low38.8Very low199 Ų199143 Ų14393%0.9381%0.809SS**  -173.8174.1120.7-159.3134.9109.200109.6
356A38.8Very low38.2Very low86 Ų86138.6 Ų138.671%0.71180%0.8SS**  trans-100.4165.9-172.700000113.7
357Q38.6Very low38.4Very low194 Ų194132.3 Ų132.391%0.90779%0.792SS**  trans-148.6155.5140.9-95.9-67.2-44.800108
358D37.5Very low37.9Very low129 Ų129130.9 Ų130.969%0.6979%0.79SS**  trans-110.6154.9-166.9-167.41.6000111.8
359S51.3Low38Very low115 Ų115133.6 Ų133.680%0.80479%0.792SS**  trans-168.1124.7162.226.80000111.9
360Q36Very low38.1Very low171 Ų171135.8 Ų135.880%0.79980%0.795SS**  trans-92.6-167.7178.5-61.7-165.713.700112.8
361V31.6Very low38.1Very low131 Ų131136.8 Ų136.879%0.79479%0.794SS**  trans98.4120.1170.5-179.90000114
362T37.2Very low38.5Very low124 Ų124139.3 Ų139.376%0.76179%0.792SS**  cis-158154.5-11.818.70000110.8
363S35.3Very low38.8Very low106 Ų106140.6 Ų140.674%0.74179%0.794SS**  trans31.5121.1143.5-169.40000120.9
364T43.2Very low39.7Very low142 Ų142139 Ų13987%0.87179%0.786SS**  -157.5152.7112-800000111.7
365K37.5Very low40.5Very low183 Ų183141.7 Ų141.780%0.79679%0.793SS**  trans-89144.9-161.9-179.1179.9175-177.10114.1
366S36.9Very low42.1Very low100 Ų100137.4 Ų137.470%0.69978%0.783SS**  trans-25.8162.2158.2310000118.3
367P48.2Very low42.9Very low124 Ų124139.4 Ų139.481%0.80579%0.788SS**  cis-146.3173.439.743-23000120.7
368T35.6Very low43.8Very low121 Ų121134.5 Ų134.574%0.74278%0.781SS**  trans-56.6140.4173.4-51.30000115.2R370T368-R370 HydrophobicContact CG2-CG 4.46Å
369V39.5Very low44.5Very low127 Ų127134.3 Ų134.377%0.7779%0.787SS**  trans-124.1132.4150.2176.90000108.7
370R41.3Very low44Very low223 Ų223137.1 Ų137.184%0.84279%0.792SS**  trans-87.5106.8173.8-74.6-179.3173177-2.6109.7T368 I372T368-R370 HydrophobicContact CG2-CG 4.46Å; R370-I372 PolarHBondContact O-N 3.2Å
371C37.2Very low44.3Very low123 Ų123133.7 Ų133.783%0.83179%0.792SS**  trans-75.4102.8167.7-650000109.7L373C371-L373 PolarHBondContact O-N 3.16Å
372I43.8Very low44.8Very low156 Ų156132.3 Ų132.380%0.879%0.789SS**PPolyproline II helixtrans-73.7117.2168.5-62.1172.5000107.3R370R370-I372 PolarHBondContact O-N 3.2Å
373L43.3Very low45.2Very low158 Ų158135.3 Ų135.383%0.82779%0.794SS**PPolyproline II helixtrans-76.7129172.4-169.773.6000108.7C371C371-L373 PolarHBondContact O-N 3.16Å
374P54.4Low45.6Very low109 Ų109140.5 Ų140.571%0.70880%0.797SS**PPolyproline II helixtrans-73.3148.1178.630-34.6000111.8
375D53.2Low46Very low155 Ų155139 Ų13983%0.82979%0.79SS**PPolyproline II helixtrans-61.9148.1177.8-82.2-59.3000113.1
376P64.3Low46.8Very low109 Ų109136.2 Ų136.271%0.70879%0.791SS**PPolyproline II helixtrans-68.7145174.129.7-34.8000111.5
377P56.3Low47.2Very low127 Ų127143 Ų14383%0.82580%0.801SS**PPolyproline II helixtrans-67138.6-176.127.2-34.9000112.5
378A57.3Low47.2Very low91 Ų91148 Ų14875%0.75280%0.804SS**PPolyproline II helixtrans-65.3143-179.900000112.5
379P51.8Low47.7Very low126 Ų126153.1 Ų153.182%0.81881%0.81SS**PPolyproline II helixtrans-69.1138.1178.928.3-34.6000111.8
380L40.5Very low47.7Very low174 Ų174158.6 Ų158.691%0.91182%0.817SS**PPolyproline II helixtrans-59.3145.9178.2-74.6168.4000112.4S382L380-S382 PolarHBondContact O-N 3.13Å
381A42.6Very low48Very low98 Ų98158.3 Ų158.381%0.8182%0.816SS**PPolyproline II helixtrans-61.3124.3-170.100000113.2Q383A381-Q383 PolarHBondContact O-N 3.09Å
382S41.2Very low48.3Very low103 Ų103163.9 Ų163.972%0.7282%0.819SS**PPolyproline II helixtrans-65.1117.4173.2179.60000111L380 R384L380-S382 PolarHBondContact O-N 3.13Å; S382-R384 PolarHBondContact O-N 3.08Å
383Q45.1Very low48.4Very low187 Ų187162.6 Ų162.687%0.87482%0.819SS**  trans-58.892.4169.1-76.3-9531.200110.5A381A381-Q383 PolarHBondContact O-N 3.09Å
384R44.9Very low48.5Very low214 Ų214160.8 Ų160.881%0.80882%0.818SS**PPolyproline II helixtrans-83.7130.6171.9-76.2-176.4170.1179.5-1.7110.1S382S382-R384 PolarHBondContact O-N 3.08Å
385P51.9Low48.3Very low110 Ų110165 Ų16571%0.71483%0.825SS**PPolyproline II helixtrans-64.5150.4174.928-34.8000111.1R387P385-R387 PolarHBondContact O-N 3.11Å
386P53.8Low47.8Very low126 Ų126165 Ų16582%0.81883%0.825SS**PPolyproline II helixtrans-64.4126.4-173.825-34.1000111.7R388P386-R388 PolarHBondContact O-N 2.92Å
387R45.4Very low46.7Very low241 Ų241169.9 Ų169.991%0.90986%0.86SS**PPolyproline II helixtrans-62121.7173.3-78-174.5163.3-150.3-5.1109.8P385 R389P385-R387 PolarHBondContact O-N 3.11Å; R387-R389 PolarHBondContact O-N 2.89Å; R387-R389 VanDerWaalsContact O-N 3.14Å
388R47.6Very low46.3Very low230 Ų230172 Ų17287%0.86886%0.861SS**PPolyproline II helixtrans-57.8117.5173.8-72-177.7177-102.20.4109.8P386 W390P386-R388 PolarHBondContact O-N 2.92Å; R388-W390 PolarHBondContact O-N 3.41Å; R388-W390 VanDerWaalsContact O-N 3.09Å
389R45.5Very low45.7Very low229 Ų229176.3 Ų176.386%0.86487%0.867SS**  trans-69.3101172.9179.2-173.6-76.8-122.53.7108.9R387 R391R387-R389 PolarHBondContact O-N 2.89Å; R387-R389 VanDerWaalsContact O-N 3.14Å; R389-R391 PolarHBondContact O-N 2.59Å; R389-R391 VanDerWaalsContact O-N 3.16Å
390W40.9Very low45.3Very low241 Ų241179.1 Ų179.191%0.91387%0.87SS**  trans-60.8114.7166.8-73.585.2000109R388R388-W390 PolarHBondContact O-N 3.41Å; R388-W390 VanDerWaalsContact O-N 3.09Å
391R46.2Very low45.6Very low217 Ų217179.4 Ų179.482%0.81987%0.867SS**  trans-74.3123.5169.1-67.4-175.2-174.9-101.65.9107.6R389 T393R389-R391 PolarHBondContact O-N 2.59Å; R389-R391 VanDerWaalsContact O-N 3.16Å; R391-T393 PolarHBondContact O-N 2.93Å
392R43.3Very low45.8Very low240 Ų240184.4 Ų184.491%0.90687%0.871SS**  trans-73.1112.4158-86.6-175-82-164.5-4107.4C394R392-C394 PolarHBondContact O-N 3.07Å
393T47.7Very low46.1Very low130 Ų130189.9 Ų189.980%0.79888%0.881SS**  trans-8890.7165.3460000108.3R391R391-T393 PolarHBondContact O-N 2.93Å
394C43.6Very low46.2Very low120 Ų120190.1 Ų190.181%0.81188%0.881SS**  trans-78.5124152.1-59.90000106.6R392R392-C394 PolarHBondContact O-N 3.07Å
395K51.1Low46.3Very low196 Ų196188.2 Ų188.285%0.85289%0.887SS**  trans-156.9145.5157.3-127.4-172.5179.2-165.10109.6
396D43.5Very low45.8Very low155 Ų155194.8 Ų194.883%0.82990%0.902SS**  trans-86.5138.5-163.8-41-99.2000111.7
397C41.3Very low45.1Very low212 Ų212201 Ų201100%1.43291%0.909SS**  trans-176.20148.2-100.10000108.6

Retrieved 397 of 397 residues in 487 ms (Link to these results)