A0A087Y170_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB (A0A3B3UVH1), UniProt , Accession A0A087Y170, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M42Very low38.1Very low245 Ų245131.1 Ų131.1100%1.20784%0.842SS**  0102.20-76.4-175.8158.200108.1
2S34.2Very low39.1Very low131 Ų131140.3 Ų140.392%0.91685%0.848SS**  trans-14191.9163.1-77.70000106.9
3G36Very low39.3Very low72 Ų72147.5 Ų147.574%0.74285%0.851SS**  trans-88.6130.3163.900000108.2
4N37.6Very low39.9Very low177 Ų177148.7 Ų148.795%0.94785%0.851SS**  trans-131.4104.9157.7-94.5-10.1000106.6
5G34.8Very low40Very low66 Ų66147.8 Ų147.868%0.6885%0.85SS**  trans-102.2144.5168.700000110.7
6L41Very low40.6Very low171 Ų171145.9 Ų145.990%0.89584%0.842SS**  trans72.3119.3144.7-65.4150.9000118.6
7V37.3Very low41.6Very low133 Ų133143.3 Ų143.381%0.80683%0.834SS**  -155128.3112.1176.40000110.3
8S34.7Very low43.9Very low102 Ų102142.6 Ų142.671%0.71383%0.832SS**  trans54.4144.4152.487.80000119.8
9S35.3Very low46.3Very low106 Ų106137.5 Ų137.574%0.74180%0.801SS**  cis-164.3148.943.150.70000112.6G11S9-G11 PolarHBondContact O-N 3.24Å
10I48.8Very low48.6Very low164 Ų164131.6 Ų131.684%0.84177%0.768SS**  trans-27.4115.5164-64.3154.9000113.5
11G37.3Very low50.8Low75 Ų75128.1 Ų128.177%0.77375%0.749SS**  trans-107.782163.500000110.6S9 R13S9-G11 PolarHBondContact O-N 3.24Å; G11-R13 PolarHBondContact O-N 2.74Å
12R50.4Low53.4Low241 Ų241117.4 Ų117.491%0.90970%0.696SS**  trans-73.3112152.3-98.7-176.3178.3178.50.1106.6
13R41.9Very low56.3Low235 Ų235116.1 Ų116.189%0.88768%0.675SS**  trans-126.1116.9155.1-84.4-172.1178.3-174.10.4109G11 T15G11-R13 PolarHBondContact O-N 2.74Å; R13-T15 PolarHBondContact O-N 3.07Å
14L47.1Very low59.2Low164 Ų164117.1 Ų117.186%0.85966%0.661SS**  trans-53.4118.7170.2-66.2128.9000109.3T16L14-T16 PolarHBondContact O-N 3.13Å
15T41.4Very low61.9Low135 Ų135110.2 Ų110.283%0.82862%0.623SS**  trans-90.282.1164.852.90000107.9R13 S17R13-T15 PolarHBondContact O-N 3.07Å; T15-S17 PolarHBondContact O-N 3.12Å
16T49.7Very low64.8Low118 Ų118107.6 Ų107.672%0.72460%0.597SS**  trans-68.595.815348.30000105.5L14 T18L14-T16 PolarHBondContact O-N 3.13Å; T16-T18 VanDerWaalsContact C-N 3.34Å; T16-T18 PolarHBondContact O-N 3.03Å
17S58.3Low67.4Low101 Ų101108.2 Ų108.271%0.70659%0.587SS**  trans-62.498.7174.757.70000107.8T15 L19T15-S17 PolarHBondContact O-N 3.12Å; S17-L19 PolarHBondContact O-N 2.68Å; S17-L19 VanDerWaalsContact O-N 3.11Å
18T81.9Confident70.1Confident130 Ų130111 Ų11180%0.79858%0.583SS**  trans-63.2111.7169.442.60000107.2T16T16-T18 VanDerWaalsContact C-N 3.34Å; T16-T18 PolarHBondContact O-N 3.03Å
19L89.2Confident73.1Confident47 Ų47107 Ų10725%0.24655%0.554CS.*  trans-55.4147178.2-64.7160.1000110.6S17 E23 Q24 R27S17-L19 PolarHBondContact O-N 2.68Å; S17-L19 VanDerWaalsContact O-N 3.11Å; L19-E23 VanDerWaalsContact CA-OE2 3.25Å; L19-E23 WeakPolarHBondContact CA-OE2 3.34Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CD2-CB 4.26Å; L19-E23 WeakPolarHBondContact CD2-OE2 3.44Å; L19-Q24 HydrophobicContact CB-CG 3.68Å; L19-Q24 HydrophobicContact CD1-CG 4.38Å; L19-Q24 PolarHBondContact O-NE2 2.96Å; L19-R27 VanDerWaalsContact CD1-NH1 3.3Å
20S93.9Very high76.1Confident19 Ų19107.2 Ų107.213%0.13354%0.539CS..  trans-63.9159.3174.189.30000111.5F22 E23 Q24 E66 Y67S20-F22 VanDerWaalsContact C-N 3.3Å; S20-F22 PolarHBondContact O-N 2.88Å; S20-F22 PolarHBondContact OG-N 3.17Å; S20-E23 PolarHBondContact N-OE2 3.42Å; S20-E23 PolarHBondContact O-N 3.45Å; S20-E23 WeakPolarHBondContact OG-CB 3.45Å; S20-E23 VanDerWaalsContact OG-CG 3.29Å; S20-E23 WeakPolarHBondContact OG-CG 3.43Å; S20-E23 PolarHBondContact OG-N 3.3Å; S20-Q24 WeakPolarHBondContact O-CG 3.48Å; S20-Q24 PolarHBondContact O-N 3.26Å; S20-E66 WeakPolarHBondContact CB-OE1 3.49Å; S20-E66 PolarHBondContact OG-OE1 3.14Å; S20-Y67 WeakPolarHBondContact CB-OH 3.22Å
21P95Very high78.4Confident58 Ų58101.9 Ų101.938%0.37751%0.512SS..Hα-helixtrans-54.7-42.5175.5-27.436.2000113.4Q24 L25 E66 Y67P21-Q24 PolarHBondContact O-N 3.41Å; P21-L25 WeakPolarHBondContact O-CB 3.19Å; P21-L25 PolarHBondContact O-N 3.07Å; P21-E66 WeakPolarHBondContact CD-OE1 3.29Å; P21-Y67 VanDerWaalsContact CD-CZ 3.41Å; P21-Y67 WeakPolarHBondContact CD-OH 3.45Å; P21-Y67 HydrophobicContact CG-CD1 3.78Å; P21-Y67 HydrophobicContact CG-CE1 3.45Å; P21-Y67 VanDerWaalsContact CG-CE1 3.45Å
22F96.3Very high81.3Confident21 Ų21100.2 Ų100.29%0.09249%0.485CS..Hα-helixtrans-71.9-35.5177.9-71.9-3.5000112.3S20 Q24 L25 G26 E66 L111 A132 L134S20-F22 VanDerWaalsContact C-N 3.3Å; S20-F22 PolarHBondContact O-N 2.88Å; S20-F22 PolarHBondContact OG-N 3.17Å; F22-Q24 VanDerWaalsContact C-N 3.33Å; F22-Q24 PolarHBondContact O-N 2.99Å; F22-L25 PolarHBondContact O-N 3.29Å; F22-G26 PolarHBondContact O-N 3.16Å; F22-E66 HydrophobicContact CB-CG 4.27Å; F22-E66 VanDerWaalsContact CB-OE1 3.24Å; F22-E66 WeakPolarHBondContact CB-OE1 3.33Å; F22-E66 HydrophobicContact CD1-CB 4.48Å; F22-E66 HydrophobicContact CD1-CG 3.96Å; F22-E66 HydrophobicContact CD2-CB 3.65Å; F22-E66 HydrophobicContact CD2-CG 3.75Å; F22-E66 HydrophobicContact CE1-CB 4.4Å; F22-E66 HydrophobicContact CE1-CG 4.26Å; F22-E66 HydrophobicContact CE2-CB 3.57Å; F22-E66 HydrophobicContact CE2-CG 4.07Å; F22-E66 HydrophobicContact CG-CB 4.13Å; F22-E66 HydrophobicContact CG-CG 3.7Å; F22-E66 VanDerWaalsContact CZ-CA 3.48Å; F22-E66 HydrophobicContact CZ-CB 3.97Å; F22-E66 HydrophobicContact CZ-CG 4.32Å; F22-E66 PolarHBondContact N-OE1 3.18Å; F22-L111 HydrophobicContact CB-CD1 3.87Å; F22-L111 HydrophobicContact CB-CD2 3.95Å; F22-L111 HydrophobicContact CD1-CD1 4.34Å; F22-L111 HydrophobicContact CD2-CD1 3.48Å; F22-L111 VanDerWaalsContact CD2-CD1 3.48Å; F22-L111 HydrophobicContact CE2-CD1 4Å; F22-L111 HydrophobicContact CG-CD1 3.66Å; F22-L111 VanDerWaalsContact O-CD2 3.29Å; F22-L111 WeakPolarHBondContact O-CD2 3.39Å; F22-A132 HydrophobicContact CD2-CB 4.34Å; F22-L134 HydrophobicContact CE1-CB 3.8Å; F22-L134 HydrophobicContact CE1-CD2 4.16Å; F22-L134 HydrophobicContact CE2-CB 4.29Å; F22-L134 HydrophobicContact CZ-CB 3.56Å
23E95.3Very high83.4Confident104 Ų10492.8 Ų92.849%0.48646%0.463SS..Hα-helixtrans-62.1-41.2172.1-74175.9150.700112L19 S20 R27L19-E23 VanDerWaalsContact CA-OE2 3.25Å; L19-E23 WeakPolarHBondContact CA-OE2 3.34Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CD2-CB 4.26Å; L19-E23 WeakPolarHBondContact CD2-OE2 3.44Å; S20-E23 PolarHBondContact N-OE2 3.42Å; S20-E23 PolarHBondContact O-N 3.45Å; S20-E23 WeakPolarHBondContact OG-CB 3.45Å; S20-E23 VanDerWaalsContact OG-CG 3.29Å; S20-E23 WeakPolarHBondContact OG-CG 3.43Å; S20-E23 PolarHBondContact OG-N 3.3Å; E23-R27 WeakPolarHBondContact O-CG 3.41Å; E23-R27 PolarHBondContact O-N 3.39Å
24Q95.1Very high86Confident93 Ų9384.7 Ų84.744%0.43545%0.453SS..Hα-helixtrans-66.2-40.5176.4-69.3178.644.600112.1L19 S20 P21 F22L19-Q24 HydrophobicContact CB-CG 3.68Å; L19-Q24 HydrophobicContact CD1-CG 4.38Å; L19-Q24 PolarHBondContact O-NE2 2.96Å; S20-Q24 WeakPolarHBondContact O-CG 3.48Å; S20-Q24 PolarHBondContact O-N 3.26Å; P21-Q24 PolarHBondContact O-N 3.41Å; F22-Q24 VanDerWaalsContact C-N 3.33Å; F22-Q24 PolarHBondContact O-N 2.99Å
25L94.9Very high88.4Confident31 Ų3180.8 Ų80.816%0.16243%0.432CS..Hα-helixtrans-65.8-50.4176.6-17862.9000110.8P21 F22 R27 R28 M29 L134P21-L25 WeakPolarHBondContact O-CB 3.19Å; P21-L25 PolarHBondContact O-N 3.07Å; F22-L25 PolarHBondContact O-N 3.29Å; L25-R27 PolarHBondContact O-N 2.8Å; L25-R27 VanDerWaalsContact O-N 3.14Å; L25-R28 PolarHBondContact O-N 3.29Å; L25-M29 HydrophobicContact CD2-SD 4.34Å; L25-M29 HydrophobicContact CG-SD 3.91Å; L25-M29 WeakPolarHBondContact O-CG 3.44Å; L25-L134 HydrophobicContact CD2-CD1 3.74Å; L25-L134 HydrophobicContact CD2-CD2 4.01Å
26G96Very high91Very high12 Ų1275.8 Ų75.812%0.12441%0.408CS..Hα-helixtrans-56.8-31.1-177.400000113.9F22 R28 M29F22-G26 PolarHBondContact O-N 3.16Å; G26-R28 PolarHBondContact O-N 2.98Å; G26-R28 VanDerWaalsContact O-N 3.16Å; G26-M29 PolarHBondContact O-N 2.85Å; G26-M29 VanDerWaalsContact O-N 3.11Å
27R95.2Very high93.3Very high184 Ų18470.1 Ų70.169%0.69437%0.373SS*.THydrogen-bonded Turntrans-62.3-19.2175-76.6178.9177.8-159.2-0.5114.9L19 E23 L25L19-R27 VanDerWaalsContact CD1-NH1 3.3Å; E23-R27 WeakPolarHBondContact O-CG 3.41Å; E23-R27 PolarHBondContact O-N 3.39Å; L25-R27 PolarHBondContact O-N 2.8Å; L25-R27 VanDerWaalsContact O-N 3.14Å
28R94.6Very high95.2Very high191 Ų19165.3 Ų65.372%0.72134%0.34SS*.THydrogen-bonded Turntrans-101.5-8.8179.1-52.7179-165.2-179.72.9112.3L25 G26L25-R28 PolarHBondContact O-N 3.29Å; G26-R28 PolarHBondContact O-N 2.98Å; G26-R28 VanDerWaalsContact O-N 3.16Å
29M97.9Very high96Very high18 Ų1860.3 Ų60.39%0.08931%0.308CS..SBendtrans-91152.8-179.4-60.5-179.59300109.4L25 G26 L39 K40 E41 R109 L111L25-M29 HydrophobicContact CD2-SD 4.34Å; L25-M29 HydrophobicContact CG-SD 3.91Å; L25-M29 WeakPolarHBondContact O-CG 3.44Å; G26-M29 PolarHBondContact O-N 2.85Å; G26-M29 VanDerWaalsContact O-N 3.11Å; M29-L39 HydrophobicContact CB-CB 3.73Å; M29-L39 VanDerWaalsContact CE-O 3.24Å; M29-L39 WeakPolarHBondContact CE-O 3.45Å; M29-L39 HydrophobicContact CG-CB 4.47Å; M29-L39 HydrophobicContact SD-CB 4.01Å; M29-K40 CarbonylContact C-O 3.44Å; M29-K40 VanDerWaalsContact CA-O 3.31Å; M29-K40 WeakPolarHBondContact CA-O 3.45Å; M29-K40 WeakPolarHBondContact CB-O 3.43Å; M29-E41 HydrophobicContact CE-CB 3.97Å; M29-E41 HydrophobicContact CG-CB 3.97Å; M29-R109 HydrophobicContact CE-CB 3.96Å; M29-R109 WeakPolarHBondContact CE-O 3.33Å; M29-L111 HydrophobicContact CE-CB 4.08Å; M29-L111 HydrophobicContact SD-CB 3.64Å; M29-L111 HydrophobicContact SD-CD2 4.43Å
30Y97.6Very high96.4Very high110 Ų11058.1 Ų58.143%0.43130%0.296SS..EExtended strand (participates in β ladder)trans-96.8147.5171.468-90.5000110.2I32 L39 K40 V42Y30-I32 HydrophobicContact CE2-CG1 4.29Å; Y30-L39 CarbonylContact O-C 3.55Å; Y30-L39 WeakPolarHBondContact O-CA 3.16Å; Y30-K40 HydrophobicContact CD1-CB 4.48Å; Y30-K40 WeakPolarHBondContact CD1-O 3.43Å; Y30-K40 HydrophobicContact CE1-CB 4.01Å; Y30-K40 HydrophobicContact CE1-CD 4.28Å; Y30-K40 HydrophobicContact CE1-CG 3.9Å; Y30-K40 WeakPolarHBondContact CE1-O 3.17Å; Y30-K40 HydrophobicContact CE2-CB 4.1Å; Y30-K40 HydrophobicContact CE2-CD 4.32Å; Y30-K40 HydrophobicContact CE2-CG 4.47Å; Y30-K40 PolarHBondContact N-O 3.1Å; Y30-K40 PolarHBondContact O-N 3.02Å; Y30-K40 WeakPolarHBondContact OH-CD 3.43Å; Y30-K40 VanDerWaalsContact OH-CE 3.24Å; Y30-K40 WeakPolarHBondContact OH-CE 3.44Å; Y30-K40 PolarHBondContact OH-NZ 3.19Å; Y30-V42 HydrophobicContact CE1-CG2 4.29Å
31D98Very high96.6Very high53 Ų5359.6 Ų59.628%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-85.7123.4179.9-175.6-9.2000110.6L33 G34 D35 G36 L39D31-L33 PolarHBondContact OD1-N 3.45Å; D31-G34 VanDerWaalsContact CG-CA 3.4Å; D31-G34 PolarHBondContact OD1-N 3.17Å; D31-G34 WeakPolarHBondContact OD2-CA 3.46Å; D31-G34 PolarHBondContact OD2-N 3.05Å; D31-D35 PolarHBondContact OD2-N 3.36Å; D31-G36 VanDerWaalsContact OD2-CA 3.3Å; D31-G36 WeakPolarHBondContact OD2-CA 3.26Å; D31-G36 PolarHBondContact OD2-N 3.43Å; D31-L39 HydrophobicContact CB-CD2 3.8Å
32I96.8Very high96.8Very high39 Ų3959.6 Ų59.620%0.230%0.3CS..SBendtrans-70.7-38.5-177-59.3-173.9000111.4Y30 I38 K40 T101 F110Y30-I32 HydrophobicContact CE2-CG1 4.29Å; I32-I38 HydrophobicContact CB-CB 4.36Å; I32-I38 HydrophobicContact CB-CG2 4.32Å; I32-I38 HydrophobicContact CD1-CB 4.43Å; I32-I38 HydrophobicContact CD1-CG2 3.49Å; I32-I38 VanDerWaalsContact CD1-CG2 3.49Å; I32-I38 HydrophobicContact CG1-CG2 4.03Å; I32-I38 PolarHBondContact N-O 3.44Å; I32-K40 HydrophobicContact CD1-CB 3.89Å; I32-K40 HydrophobicContact CD1-CD 4.09Å; I32-K40 HydrophobicContact CG1-CB 3.91Å; I32-T101 HydrophobicContact CD1-CG2 4.07Å; I32-T101 HydrophobicContact CG2-CG2 3.74Å; I32-F110 HydrophobicContact CD1-CD1 4.17Å; I32-F110 HydrophobicContact CD1-CE1 3.88Å
33L95.9Very high96.9Very high85 Ų8561.8 Ų61.845%0.44532%0.315SS..SBendtrans-108.1-17.7-172.2-60.9-179.4000113.1D31 I38 L97 Y116D31-L33 PolarHBondContact OD1-N 3.45Å; L33-I38 HydrophobicContact CD1-CD1 3.8Å; L33-I38 HydrophobicContact CD1-CG1 4.43Å; L33-I38 HydrophobicContact CG-CD1 4.33Å; L33-L97 HydrophobicContact CD1-CD1 4.15Å; L33-Y116 HydrophobicContact CD1-CE1 3.86Å; L33-Y116 HydrophobicContact CD1-CE2 4.36Å; L33-Y116 VanDerWaalsContact CD1-OH 3.26Å; L33-Y116 WeakPolarHBondContact CD1-OH 3.46Å
34G96.4Very high97Very high65 Ų6562 Ų6267%0.6732%0.316SS*.SBendtrans85.77.2-176.700000114.1D31D31-G34 VanDerWaalsContact CG-CA 3.4Å; D31-G34 PolarHBondContact OD1-N 3.17Å; D31-G34 WeakPolarHBondContact OD2-CA 3.46Å; D31-G34 PolarHBondContact OD2-N 3.05Å
35D96.8Very high97.2Very high82 Ų8262.3 Ų62.344%0.43933%0.326SS..SBendtrans-105.32.1-179.371.8-7.6000114.1D31 G37 Y116D31-D35 PolarHBondContact OD2-N 3.36Å; D35-G37 PolarHBondContact O-N 2.89Å; D35-G37 WeakPolarHBondContact OD1-CA 3.22Å; D35-G37 PolarHBondContact OD1-N 3.05Å; D35-Y116 VanDerWaalsContact OD2-CE2 3.27Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.48Å; D35-Y116 PolarHBondContact OD2-OH 2.92Å
36G96.4Very high97.3Very high30 Ų3061.5 Ų61.531%0.30933%0.325SS..SBendtrans762.2-177.400000114.4D31 Q113D31-G36 VanDerWaalsContact OD2-CA 3.3Å; D31-G36 WeakPolarHBondContact OD2-CA 3.26Å; D31-G36 PolarHBondContact OD2-N 3.43Å; G36-Q113 VanDerWaalsContact O-CG 3.29Å; G36-Q113 WeakPolarHBondContact O-CG 3.41Å
37G97.1Very high97.4Very high0 Ų068.7 Ų68.70%036%0.356CS..SBendtrans-84.4-32.5-170.200000114.9D35 Q113D35-G37 PolarHBondContact O-N 2.89Å; D35-G37 WeakPolarHBondContact OD1-CA 3.22Å; D35-G37 PolarHBondContact OD1-N 3.05Å; G37-Q113 PolarHBondContact O-N 2.76Å
38I98.4Very high97.4Very high0 Ų062.3 Ų62.30%035%0.347CS..EExtended strand (participates in β ladder)trans-127.9101.2179.5-51.9174.2000108.6I32 L33 L97 F110 L112 Y116I32-I38 HydrophobicContact CB-CB 4.36Å; I32-I38 HydrophobicContact CB-CG2 4.32Å; I32-I38 HydrophobicContact CD1-CB 4.43Å; I32-I38 HydrophobicContact CD1-CG2 3.49Å; I32-I38 VanDerWaalsContact CD1-CG2 3.49Å; I32-I38 HydrophobicContact CG1-CG2 4.03Å; I32-I38 PolarHBondContact N-O 3.44Å; L33-I38 HydrophobicContact CD1-CD1 3.8Å; L33-I38 HydrophobicContact CD1-CG1 4.43Å; L33-I38 HydrophobicContact CG-CD1 4.33Å; I38-L97 HydrophobicContact CD1-CB 3.84Å; I38-L97 HydrophobicContact CD1-CD1 3.77Å; I38-L97 HydrophobicContact CD1-CG 4.46Å; I38-F110 HydrophobicContact CG2-CD1 4.36Å; I38-L112 HydrophobicContact CB-CD2 4.36Å; I38-L112 HydrophobicContact CG1-CD2 4.32Å; I38-L112 HydrophobicContact CG2-CD2 3.69Å; I38-Y116 HydrophobicContact CD1-CD1 3.7Å; I38-Y116 HydrophobicContact CD1-CD2 4.34Å; I38-Y116 HydrophobicContact CD1-CE1 4.01Å; I38-Y116 HydrophobicContact CD1-CG 3.88Å; I38-Y116 HydrophobicContact CG1-CD1 3.94Å; I38-Y116 HydrophobicContact CG1-CD2 3.69Å; I38-Y116 HydrophobicContact CG1-CE1 4.39Å; I38-Y116 HydrophobicContact CG1-CE2 4.18Å; I38-Y116 HydrophobicContact CG1-CG 3.56Å
39L98.6Very high97.5Very high24 Ų2457.2 Ų57.213%0.12634%0.338CS..EExtended strand (participates in β ladder)trans-99.1136.4177.1-53.5-178.5000109.7M29 Y30 D31 F110 L111M29-L39 HydrophobicContact CB-CB 3.73Å; M29-L39 VanDerWaalsContact CE-O 3.24Å; M29-L39 WeakPolarHBondContact CE-O 3.45Å; M29-L39 HydrophobicContact CG-CB 4.47Å; M29-L39 HydrophobicContact SD-CB 4.01Å; Y30-L39 CarbonylContact O-C 3.55Å; Y30-L39 WeakPolarHBondContact O-CA 3.16Å; D31-L39 HydrophobicContact CB-CD2 3.8Å; L39-F110 CarbonylContact O-C 3.37Å; L39-F110 VanDerWaalsContact O-CA 3.29Å; L39-F110 WeakPolarHBondContact O-CA 3.42Å; L39-L111 HydrophobicContact CB-CB 4.25Å; L39-L111 HydrophobicContact CD1-CD2 4.27Å; L39-L111 PolarHBondContact N-O 2.97Å; L39-L111 PolarHBondContact O-N 3.24Å
40K98.5Very high97.4Very high1 Ų159.7 Ų59.70%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-124.4140.2-178.2-179.8172.6168.5-173.80112.7M29 Y30 I32 T101 E106 S108 R109 F110M29-K40 CarbonylContact C-O 3.44Å; M29-K40 VanDerWaalsContact CA-O 3.31Å; M29-K40 WeakPolarHBondContact CA-O 3.45Å; M29-K40 WeakPolarHBondContact CB-O 3.43Å; Y30-K40 HydrophobicContact CD1-CB 4.48Å; Y30-K40 WeakPolarHBondContact CD1-O 3.43Å; Y30-K40 HydrophobicContact CE1-CB 4.01Å; Y30-K40 HydrophobicContact CE1-CD 4.28Å; Y30-K40 HydrophobicContact CE1-CG 3.9Å; Y30-K40 WeakPolarHBondContact CE1-O 3.17Å; Y30-K40 HydrophobicContact CE2-CB 4.1Å; Y30-K40 HydrophobicContact CE2-CD 4.32Å; Y30-K40 HydrophobicContact CE2-CG 4.47Å; Y30-K40 PolarHBondContact N-O 3.1Å; Y30-K40 PolarHBondContact O-N 3.02Å; Y30-K40 WeakPolarHBondContact OH-CD 3.43Å; Y30-K40 VanDerWaalsContact OH-CE 3.24Å; Y30-K40 WeakPolarHBondContact OH-CE 3.44Å; Y30-K40 PolarHBondContact OH-NZ 3.19Å; I32-K40 HydrophobicContact CD1-CB 3.89Å; I32-K40 HydrophobicContact CD1-CD 4.09Å; I32-K40 HydrophobicContact CG1-CB 3.91Å; K40-T101 WeakPolarHBondContact CD-OG1 3.4Å; K40-T101 PolarHBondContact NZ-O 2.97Å; K40-T101 PolarHBondContact NZ-OG1 3.46Å; K40-E106 WeakPolarHBondContact CE-OE1 3.38Å; K40-E106 IonicContact NZ-OE1 2.65Å; K40-E106 PolarHBondContact NZ-OE1 2.93Å; K40-S108 VanDerWaalsContact CE-OG 3.25Å; K40-S108 WeakPolarHBondContact CE-OG 3.45Å; K40-R109 VanDerWaalsContact CA-O 3.31Å; K40-R109 WeakPolarHBondContact CA-O 3.23Å; K40-F110 HydrophobicContact CB-CD1 4.17Å; K40-F110 HydrophobicContact CB-CE1 4.17Å; K40-F110 HydrophobicContact CD-CD1 4.34Å; K40-F110 HydrophobicContact CD-CE1 3.52Å; K40-F110 HydrophobicContact CD-CZ 3.88Å; K40-F110 HydrophobicContact CG-CD1 4.22Å; K40-F110 HydrophobicContact CG-CE1 3.87Å; K40-F110 HydrophobicContact CG-CZ 4.35Å
41E98.4Very high97.4Very high50 Ų5054.7 Ų54.723%0.23434%0.337CS..EExtended strand (participates in β ladder)trans-123.1124.9164.5168.4-178-121.100108.1M29 V43 S108 R109M29-E41 HydrophobicContact CE-CB 3.97Å; M29-E41 HydrophobicContact CG-CB 3.97Å; E41-V43 HydrophobicContact CG-CG2 4.15Å; E41-V43 PolarHBondContact O-N 2.97Å; E41-S108 CarbonylContact O-C 3.56Å; E41-S108 VanDerWaalsContact O-CA 3.24Å; E41-S108 WeakPolarHBondContact O-CA 3.37Å; E41-S108 WeakPolarHBondContact O-CB 3.48Å; E41-R109 HydrophobicContact CB-CB 4.37Å; E41-R109 PolarHBondContact N-O 2.91Å; E41-R109 PolarHBondContact O-N 2.88Å; E41-R109 WeakPolarHBondContact OE2-CD 3.48Å; E41-R109 IonicContact OE2-CZ 2.73Å; E41-R109 IonicContact OE2-NH1 3.34Å; E41-R109 PolarHBondContact OE2-NH1 3.26Å
42V98.4Very high97.3Very high59 Ų5954 Ų5436%0.35834%0.335SS..EExtended strand (participates in β ladder)trans-84.1108.9169.8179.50000107.7Y30 P45 E106Y30-V42 HydrophobicContact CE1-CG2 4.29Å; V42-P45 HydrophobicContact CG1-CB 4.42Å; V42-E106 HydrophobicContact CG1-CG 4.19Å
43V98.3Very high97.1Very high66 Ų6659.1 Ų59.140%0.436%0.358SS..EExtended strand (participates in β ladder)trans-83.1-41.9179.4-179.50000110.5E41 F107 R109E41-V43 HydrophobicContact CG-CG2 4.15Å; E41-V43 PolarHBondContact O-N 2.97Å; V43-F107 WeakPolarHBondContact CA-O 3.39Å; V43-F107 HydrophobicContact CB-CD1 3.57Å; V43-F107 HydrophobicContact CB-CE1 4.04Å; V43-F107 HydrophobicContact CB-CG 4.45Å; V43-F107 WeakPolarHBondContact CB-O 3.47Å; V43-F107 HydrophobicContact CG1-CD1 3.63Å; V43-F107 HydrophobicContact CG1-CE1 3.9Å; V43-F107 HydrophobicContact CG2-CD1 4.2Å; V43-F107 HydrophobicContact CG2-CE1 4.25Å; V43-F107 PolarHBondContact N-O 3.24Å; V43-R109 HydrophobicContact CG2-CG 3.82Å
44Q98.4Very high96.9Very high109 Ų10958.4 Ų58.451%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-134.4124.7172.4-174.9-178.5-22.100109.3E106 F107Q44-E106 WeakPolarHBondContact O-CA 3.22Å; Q44-E106 VanDerWaalsContact O-CG 3.32Å; Q44-E106 WeakPolarHBondContact O-CG 3.42Å; Q44-F107 HydrophobicContact CB-CB 3.92Å; Q44-F107 PolarHBondContact N-O 2.97Å; Q44-F107 PolarHBondContact O-N 3.21Å
45P98.2Very high96.8Very high100 Ų10055.3 Ų55.365%0.64932%0.323SS*.  trans-70.2143.3178.929.8-34.5000111.3V42V42-P45 HydrophobicContact CG1-CB 4.42Å
46G97.7Very high96.8Very high14 Ų1452 Ų5214%0.14431%0.306CS..  trans-95.9-179.6167.900000113K104G46-K104 CarbonylContact C-O 3.58Å; G46-K104 WeakPolarHBondContact CA-O 3.37Å
47E97Very high96.9Very high163 Ų16350.6 Ų50.676%0.76229%0.291SS*.EExtended strand (participates in β ladder)trans-115.4157.7-178.2-64.8-175.417400112.6K104E47-K104 PolarHBondContact N-O 2.97Å; E47-K104 PolarHBondContact O-N 3.46Å
48G95.6Very high96.8Very high49 Ų4951.6 Ų51.651%0.50530%0.297SS..EExtended strand (participates in β ladder)trans80.8-166.4176.600000114.2K103G48-K103 VanDerWaalsContact O-CD 3.29Å; G48-K103 WeakPolarHBondContact O-CD 3.46Å; G48-K103 WeakPolarHBondContact O-CE 3.39Å
49P96.2Very high96.7Very high84 Ų8451.8 Ų51.855%0.54530%0.297SS..EExtended strand (participates in β ladder)trans-71.6162.6177.628.8-29.2000111.3Y142P49-Y142 WeakPolarHBondContact CG-OH 3.47Å; P49-Y142 PolarHBondContact O-OH 3.24Å; P49-Y142 VanDerWaalsContact O-OH 3.13Å
50P97.1Very high96.7Very high71 Ų7153.6 Ų53.646%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-63.3160.717227.2-34000111.9L100 M102P50-L100 WeakPolarHBondContact CB-O 3.39Å; P50-M102 CarbonylContact C-O 3.46Å; P50-M102 VanDerWaalsContact CA-O 3.23Å; P50-M102 WeakPolarHBondContact CA-O 3.35Å
51V97.4Very high96.6Very high4 Ų455.5 Ų55.52%0.02431%0.311CS..PPolyproline II helixtrans-57.9124.4173.6178.70000109.6A55 V57 L86 L99 M102 V139 Y142V51-A55 HydrophobicContact CG1-CB 3.77Å; V51-V57 HydrophobicContact CG1-CG2 3.59Å; V51-L86 HydrophobicContact CG1-CD1 3.69Å; V51-L99 WeakPolarHBondContact CB-O 3.25Å; V51-M102 WeakPolarHBondContact CG2-O 3.48Å; V51-M102 PolarHBondContact N-O 3.38Å; V51-V139 HydrophobicContact CG2-CG1 4.42Å; V51-Y142 HydrophobicContact CG1-CG 4.41Å; V51-Y142 HydrophobicContact CG2-CD1 3.77Å; V51-Y142 HydrophobicContact CG2-CE1 4.21Å; V51-Y142 HydrophobicContact CG2-CG 4.14Å
52P95.2Very high96.6Very high38 Ų3853.9 Ų53.925%0.24731%0.305CS..PPolyproline II helixtrans-72.5161.3179.224.3-25.9000111.9A55 Y142 D144P52-A55 HydrophobicContact CG-CB 3.87Å; P52-A55 WeakPolarHBondContact O-CB 3.49Å; P52-A55 PolarHBondContact O-N 3.26Å; P52-Y142 VanDerWaalsContact CD-CD2 3.5Å; P52-Y142 HydrophobicContact CG-CD2 4.23Å; P52-Y142 HydrophobicContact CG-CE2 4.08Å; P52-D144 HydrophobicContact CG-CB 4.21Å
53Q92.9Very high96.5Very high147 Ų14751 Ų5169%0.68729%0.288SS*.THydrogen-bonded Turntrans-60149172.1-67.7-178.50.500110.7A55 L100Q53-A55 PolarHBondContact O-N 3.07Å; Q53-L100 HydrophobicContact CG-CD2 4.13Å
54N91.6Very high96.5Very high71 Ų7150 Ų5038%0.3828%0.277SS..THydrogen-bonded Turntrans54.420.4-178.4-56.5-38.7000113.7K85 S145 G146N54-K85 WeakPolarHBondContact O-CD 3.33Å; N54-K85 WeakPolarHBondContact O-CE 3.31Å; N54-K85 PolarHBondContact O-NZ 2.85Å; N54-S145 PolarHBondContact O-OG 3.43Å; N54-S145 VanDerWaalsContact O-OG 3.07Å; N54-G146 PolarHBondContact O-N 3.13Å; N54-G146 VanDerWaalsContact O-N 3.09Å
55A95.6Very high96.4Very high0 Ų046.6 Ų46.60%026%0.262CS..  trans-70.7163.3175.400000111.4V51 P52 Q53 L86V51-A55 HydrophobicContact CG1-CB 3.77Å; P52-A55 HydrophobicContact CG-CB 3.87Å; P52-A55 WeakPolarHBondContact O-CB 3.49Å; P52-A55 PolarHBondContact O-N 3.26Å; Q53-A55 PolarHBondContact O-N 3.07Å; A55-L86 HydrophobicContact CB-CD1 4.5Å; A55-L86 PolarHBondContact O-N 3.38Å
56S96.8Very high96.3Very high12 Ų1244.6 Ų44.68%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-103.5111.4167.8-75.90000108.6M83 M84 Y142 L143 S145S56-M83 VanDerWaalsContact O-CE 3.31Å; S56-M83 WeakPolarHBondContact O-CE 3.25Å; S56-M84 CarbonylContact C-O 3.57Å; S56-M84 WeakPolarHBondContact CA-O 3.47Å; S56-Y142 CarbonylContact O-C 3.53Å; S56-Y142 VanDerWaalsContact O-CA 3.32Å; S56-Y142 WeakPolarHBondContact O-CA 3.4Å; S56-L143 PolarHBondContact N-O 2.91Å; S56-L143 PolarHBondContact O-N 3.17Å; S56-S145 WeakPolarHBondContact CB-OG 3.36Å; S56-S145 PolarHBondContact N-OG 3.07Å; S56-S145 VanDerWaalsContact N-OG 3.11Å; S56-S145 WeakPolarHBondContact OG-CB 3.46Å; S56-S145 PolarHBondContact OG-OG 2.91Å
57V97.2Very high96.2Very high0 Ų051.9 Ų51.90%027%0.268CS..EExtended strand (participates in β ladder)trans-99.5144.4-172.1-174.40000110.8V51 M59 M83 M84 L86 L99 V139V51-V57 HydrophobicContact CG1-CG2 3.59Å; V57-M59 HydrophobicContact CB-CE 3.99Å; V57-M59 HydrophobicContact CG1-CB 4.33Å; V57-M59 HydrophobicContact CG1-CE 3.9Å; V57-M83 WeakPolarHBondContact O-CA 3.27Å; V57-M84 PolarHBondContact N-O 3.39Å; V57-M84 PolarHBondContact O-N 3.04Å; V57-L86 HydrophobicContact CG2-CD1 4.07Å; V57-L86 HydrophobicContact CG2-CD2 4.03Å; V57-L86 HydrophobicContact CG2-CG 3.91Å; V57-L99 HydrophobicContact CG1-CD2 4.42Å; V57-V139 HydrophobicContact CG1-CG1 4.07Å; V57-V139 HydrophobicContact CG1-CG2 4.16Å
58I96Very high96Very high22 Ų2246.4 Ų46.411%0.11325%0.248CC..EExtended strand (participates in β ladder)trans-110.6117.3170.1-40.8-170.9000107.2P81 M83 L140 D141I58-P81 HydrophobicContact CG2-CG 3.74Å; I58-M83 HydrophobicContact CD1-CE 3.8Å; I58-M83 HydrophobicContact CG1-CE 3.6Å; I58-M83 HydrophobicContact CG1-CG 4.29Å; I58-L140 HydrophobicContact CB-CB 4.31Å; I58-L140 HydrophobicContact CG2-CB 4.21Å; I58-L140 HydrophobicContact CG2-CD1 4.09Å; I58-L140 PolarHBondContact O-N 2.95Å; I58-D141 HydrophobicContact CB-CB 4.48Å; I58-D141 WeakPolarHBondContact CB-O 3.13Å; I58-D141 HydrophobicContact CD1-CB 3.93Å; I58-D141 HydrophobicContact CG1-CB 4.22Å; I58-D141 PolarHBondContact N-O 3.06Å; I58-D141 PolarHBondContact O-N 3.24Å
59M96.7Very high95.8Very high3 Ų351.7 Ų51.72%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-146.5151.1-17863.7-179.2113.500112V57 Y61 P81 M84 V90 L99 V137 H138 V139V57-M59 HydrophobicContact CB-CE 3.99Å; V57-M59 HydrophobicContact CG1-CB 4.33Å; V57-M59 HydrophobicContact CG1-CE 3.9Å; M59-Y61 HydrophobicContact CG-CD1 4.08Å; M59-Y61 HydrophobicContact SD-CD1 4.13Å; M59-P81 WeakPolarHBondContact O-CB 3.33Å; M59-M84 HydrophobicContact CE-CB 4.47Å; M59-M84 HydrophobicContact CE-CE 3.31Å; M59-M84 HydrophobicContact CG-CE 4.46Å; M59-M84 HydrophobicContact SD-CE 3.98Å; M59-V90 HydrophobicContact CE-CG2 4.09Å; M59-L99 HydrophobicContact CE-CD1 3.33Å; M59-L99 HydrophobicContact CE-CD2 3.96Å; M59-L99 HydrophobicContact CE-CG 4.31Å; M59-L99 HydrophobicContact SD-CD1 3.94Å; M59-L99 HydrophobicContact SD-CD2 3.81Å; M59-L99 HydrophobicContact SD-CG 4.49Å; M59-V137 HydrophobicContact CB-CG1 4.31Å; M59-V137 HydrophobicContact SD-CG1 3.92Å; M59-H138 CarbonylContact C-O 3.53Å; M59-H138 WeakPolarHBondContact CA-O 3.36Å; M59-H138 VanDerWaalsContact CB-O 3.31Å; M59-H138 WeakPolarHBondContact CB-O 3.42Å; M59-V139 HydrophobicContact CB-CG2 4.47Å
60Y97.7Very high95.7Very high62 Ų6255.1 Ų55.124%0.24327%0.273CS..EExtended strand (participates in β ladder)trans-94.3143.5154.5-70-65.2000108.8T75 L78 P81 V137 H138 L140Y60-T75 WeakPolarHBondContact CA-OG1 3.48Å; Y60-T75 WeakPolarHBondContact CD1-O 3.43Å; Y60-T75 WeakPolarHBondContact CE1-O 3.39Å; Y60-L78 VanDerWaalsContact CE1-O 3.28Å; Y60-L78 WeakPolarHBondContact CE1-O 3.18Å; Y60-L78 PolarHBondContact OH-O 3.36Å; Y60-P81 HydrophobicContact CD1-CB 4.16Å; Y60-P81 HydrophobicContact CD1-CG 4.24Å; Y60-P81 HydrophobicContact CE1-CB 4.02Å; Y60-P81 HydrophobicContact CE1-CG 3.89Å; Y60-P81 HydrophobicContact CE2-CG 4.31Å; Y60-V137 CarbonylContact O-C 3.54Å; Y60-V137 WeakPolarHBondContact O-CA 3.4Å; Y60-H138 PolarHBondContact N-O 3.32Å; Y60-H138 PolarHBondContact O-N 3.34Å; Y60-L140 HydrophobicContact CD2-CD1 3.87Å; Y60-L140 HydrophobicContact CD2-CD2 4.05Å; Y60-L140 HydrophobicContact CD2-CG 4.21Å; Y60-L140 HydrophobicContact CE2-CD1 3.64Å; Y60-L140 HydrophobicContact CE2-CD2 4.33Å; Y60-L140 HydrophobicContact CE2-CG 4.43Å
61Y97.1Very high95.7Very high42 Ų4254.2 Ų54.217%0.16527%0.267CS..EExtended strand (participates in β ladder)trans-147.1154.7173.666-95.8000111.2M59 E73 S74 T75 M84 Y135 E136M59-Y61 HydrophobicContact CG-CD1 4.08Å; M59-Y61 HydrophobicContact SD-CD1 4.13Å; Y61-E73 HydrophobicContact CD2-CG 4.48Å; Y61-E73 HydrophobicContact CE2-CG 4Å; Y61-E73 VanDerWaalsContact CE2-OE1 3.27Å; Y61-E73 WeakPolarHBondContact CE2-OE1 3.47Å; Y61-S74 WeakPolarHBondContact O-CA 3.06Å; Y61-T75 HydrophobicContact CD1-CG2 4.03Å; Y61-T75 HydrophobicContact CE1-CG2 3.49Å; Y61-T75 VanDerWaalsContact CE1-CG2 3.49Å; Y61-T75 HydrophobicContact CE2-CG2 4.19Å; Y61-T75 PolarHBondContact N-OG1 3.23Å; Y61-T75 PolarHBondContact O-N 3.06Å; Y61-T75 PolarHBondContact O-OG1 2.86Å; Y61-M84 HydrophobicContact CD1-CE 4.44Å; Y61-M84 HydrophobicContact CE1-CE 3.86Å; Y61-M84 HydrophobicContact CE1-SD 4.21Å; Y61-Y135 HydrophobicContact CD2-CD1 4.16Å; Y61-Y135 AromaticContact CD2-CE1 3.81Å; Y61-Y135 HydrophobicContact CD2-CE1 3.81Å; Y61-Y135 HydrophobicContact CE2-CE1 4.32Å; Y61-E136 CarbonylContact C-O 3.46Å; Y61-E136 WeakPolarHBondContact CA-O 3.48Å
62S97.4Very high95.6Very high15 Ų1556.8 Ų56.811%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-139.8131169.5-56.50000109.5Y64 E73 S74 Y135 E136S62-Y64 VanDerWaalsContact CB-CE2 3.47Å; S62-E73 CarbonylContact C-O 3.54Å; S62-E73 VanDerWaalsContact CA-O 3.3Å; S62-E73 WeakPolarHBondContact CA-O 3.19Å; S62-S74 WeakPolarHBondContact OG-CB 3.26Å; S62-S74 PolarHBondContact OG-OG 3.36Å; S62-Y135 WeakPolarHBondContact O-CA 3.4Å; S62-E136 PolarHBondContact N-O 3.1Å; S62-E136 PolarHBondContact O-N 3.01Å
63G97.1Very high95.5Very high0 Ų057.8 Ų57.80%028%0.28CS..EExtended strand (participates in β ladder)trans-104.1134.5178.800000111.5P71 F72 E73 L134G63-P71 CarbonylContact O-C 3.42Å; G63-P71 WeakPolarHBondContact O-CA 3.39Å; G63-P71 VanDerWaalsContact O-CB 3.24Å; G63-P71 WeakPolarHBondContact O-CB 3.25Å; G63-F72 VanDerWaalsContact C-CD1 3.47Å; G63-F72 WeakPolarHBondContact O-CD1 3.17Å; G63-F72 WeakPolarHBondContact O-CE1 3.43Å; G63-F72 PolarHBondContact O-N 3.41Å; G63-E73 PolarHBondContact N-O 3.02Å; G63-L134 CarbonylContact C-O 3.57Å; G63-L134 WeakPolarHBondContact CA-O 3.36Å
64Y97.6Very high95.6Very high45 Ų4552.5 Ų52.518%0.17626%0.259CS..EExtended strand (participates in β ladder)trans-127.7141.7-175.2-59.7-96.2000111.7S62 P71 F72 I133 L134 E136S62-Y64 VanDerWaalsContact CB-CE2 3.47Å; Y64-P71 HydrophobicContact CD1-CB 4.05Å; Y64-P71 HydrophobicContact CE1-CB 3.7Å; Y64-P71 HydrophobicContact CE1-CG 4.1Å; Y64-P71 HydrophobicContact CE2-CB 4.31Å; Y64-P71 HydrophobicContact CG-CB 4.48Å; Y64-F72 VanDerWaalsContact N-CE1 3.33Å; Y64-I133 WeakPolarHBondContact O-CA 3.49Å; Y64-L134 PolarHBondContact N-O 3.32Å; Y64-L134 PolarHBondContact O-N 3.33Å; Y64-E136 HydrophobicContact CE2-CG 4.07Å
65L97.3Very high95.8Very high36 Ų3649.6 Ų49.619%0.18824%0.243CC..EExtended strand (participates in β ladder)trans-87.1154.5165.6-73168.8000110Y67 S68 F72 I127 A131 I133L65-Y67 PolarHBondContact O-N 3.27Å; L65-S68 PolarHBondContact O-N 3.29Å; L65-S68 VanDerWaalsContact O-N 3.14Å; L65-F72 HydrophobicContact CG-CD1 4.02Å; L65-I127 HydrophobicContact CD2-CG2 4.33Å; L65-A131 HydrophobicContact CD2-CB 4.14Å; L65-I133 HydrophobicContact CD2-CG2 4.03Å
66E95.6Very high95.7Very high58 Ų5852.8 Ų52.827%0.27127%0.27SS..THydrogen-bonded Turntrans-58.6141.1175.2-158.2174.5-149.400110.9S20 P21 F22 S68S20-E66 WeakPolarHBondContact CB-OE1 3.49Å; S20-E66 PolarHBondContact OG-OE1 3.14Å; P21-E66 WeakPolarHBondContact CD-OE1 3.29Å; F22-E66 HydrophobicContact CB-CG 4.27Å; F22-E66 VanDerWaalsContact CB-OE1 3.24Å; F22-E66 WeakPolarHBondContact CB-OE1 3.33Å; F22-E66 HydrophobicContact CD1-CB 4.48Å; F22-E66 HydrophobicContact CD1-CG 3.96Å; F22-E66 HydrophobicContact CD2-CB 3.65Å; F22-E66 HydrophobicContact CD2-CG 3.75Å; F22-E66 HydrophobicContact CE1-CB 4.4Å; F22-E66 HydrophobicContact CE1-CG 4.26Å; F22-E66 HydrophobicContact CE2-CB 3.57Å; F22-E66 HydrophobicContact CE2-CG 4.07Å; F22-E66 HydrophobicContact CG-CB 4.13Å; F22-E66 HydrophobicContact CG-CG 3.7Å; F22-E66 VanDerWaalsContact CZ-CA 3.48Å; F22-E66 HydrophobicContact CZ-CB 3.97Å; F22-E66 HydrophobicContact CZ-CG 4.32Å; F22-E66 PolarHBondContact N-OE1 3.18Å; E66-S68 PolarHBondContact O-N 3.13Å; E66-S68 VanDerWaalsContact O-N 3.1Å
67Y94.6Very high95.4Very high168 Ų16859.3 Ų59.366%0.65930%0.299SS*.THydrogen-bonded Turntrans63.93-176.2-46.4-80.7000115.9S20 P21 L65S20-Y67 WeakPolarHBondContact CB-OH 3.22Å; P21-Y67 VanDerWaalsContact CD-CZ 3.41Å; P21-Y67 WeakPolarHBondContact CD-OH 3.45Å; P21-Y67 HydrophobicContact CG-CD1 3.78Å; P21-Y67 HydrophobicContact CG-CE1 3.45Å; P21-Y67 VanDerWaalsContact CG-CE1 3.45Å; L65-Y67 PolarHBondContact O-N 3.27Å
68S94.3Very high95.2Very high48 Ų4862.1 Ų62.134%0.33631%0.313SS..  trans-99.7129171.9-175.50000111.3L65 E66 Q70L65-S68 PolarHBondContact O-N 3.29Å; L65-S68 VanDerWaalsContact O-N 3.14Å; E66-S68 PolarHBondContact O-N 3.13Å; E66-S68 VanDerWaalsContact O-N 3.1Å; S68-Q70 PolarHBondContact OG-N 3.36Å; S68-Q70 VanDerWaalsContact OG-N 3.16Å; S68-Q70 PolarHBondContact OG-O 3.17Å
69N90.2Very high94.9Very high160 Ų16068.6 Ų68.686%0.85634%0.341SS*.SBendtrans-88.6-8169.4-66.4-29.5000112.6
70Q94.5Very high94.4Very high155 Ų15573.9 Ų73.972%0.72436%0.361SS*.SBendtrans-99.6129.9175.4-68.9-171.8-0.800109.6S68S68-Q70 PolarHBondContact OG-N 3.36Å; S68-Q70 VanDerWaalsContact OG-N 3.16Å; S68-Q70 PolarHBondContact OG-O 3.17Å
71P96.6Very high94.1Very high52 Ų5271.2 Ų71.234%0.33835%0.352SS..  trans-69.9139.7176.229-32.2000110.1G63 Y64 E73G63-P71 CarbonylContact O-C 3.42Å; G63-P71 WeakPolarHBondContact O-CA 3.39Å; G63-P71 VanDerWaalsContact O-CB 3.24Å; G63-P71 WeakPolarHBondContact O-CB 3.25Å; Y64-P71 HydrophobicContact CD1-CB 4.05Å; Y64-P71 HydrophobicContact CE1-CB 3.7Å; Y64-P71 HydrophobicContact CE1-CG 4.1Å; Y64-P71 HydrophobicContact CE2-CB 4.31Å; Y64-P71 HydrophobicContact CG-CB 4.48Å; P71-E73 WeakPolarHBondContact CB-O 3.12Å
72F94.9Very high93.7Very high59 Ų5972.3 Ų72.326%0.25936%0.364SS..SBendtrans-74.1-22.6171.763.2-100.7000111.4G63 Y64 L65 Y118 I127 I133 Y135G63-F72 VanDerWaalsContact C-CD1 3.47Å; G63-F72 WeakPolarHBondContact O-CD1 3.17Å; G63-F72 WeakPolarHBondContact O-CE1 3.43Å; G63-F72 PolarHBondContact O-N 3.41Å; Y64-F72 VanDerWaalsContact N-CE1 3.33Å; L65-F72 HydrophobicContact CG-CD1 4.02Å; F72-Y118 HydrophobicContact CE2-CE2 4.34Å; F72-Y118 HydrophobicContact CZ-CE2 4.26Å; F72-I127 HydrophobicContact CD2-CD1 4.03Å; F72-I127 HydrophobicContact CD2-CG1 4.49Å; F72-I127 HydrophobicContact CE2-CD1 3.82Å; F72-I127 HydrophobicContact CZ-CD1 4.2Å; F72-I133 HydrophobicContact CE1-CB 4.29Å; F72-I133 HydrophobicContact CE1-CG2 4.12Å; F72-I133 HydrophobicContact CZ-CD1 4.28Å; F72-I133 HydrophobicContact CZ-CG2 4.45Å; F72-Y135 HydrophobicContact CZ-CE2 4.26Å
73E93.9Very high93.4Very high59 Ų5973.5 Ų73.528%0.27637%0.369SS..EExtended strand (participates in β ladder)trans-146.9145.9169.170.4179.6-160.400111.4Y61 S62 G63 P71 Y135Y61-E73 HydrophobicContact CD2-CG 4.48Å; Y61-E73 HydrophobicContact CE2-CG 4Å; Y61-E73 VanDerWaalsContact CE2-OE1 3.27Å; Y61-E73 WeakPolarHBondContact CE2-OE1 3.47Å; S62-E73 CarbonylContact C-O 3.54Å; S62-E73 VanDerWaalsContact CA-O 3.3Å; S62-E73 WeakPolarHBondContact CA-O 3.19Å; G63-E73 PolarHBondContact N-O 3.02Å; P71-E73 WeakPolarHBondContact CB-O 3.12Å; E73-Y135 HydrophobicContact CG-CE1 4.36Å; E73-Y135 WeakPolarHBondContact OE1-CE1 3.23Å; E73-Y135 PolarHBondContact OE1-OH 3.46Å
74S95.6Very high93.3Very high35 Ų3574.6 Ų74.625%0.24537%0.374CS..EExtended strand (participates in β ladder)trans-156.2141.8175.9-177.50000112.2Y61 S62 A76 H77Y61-S74 WeakPolarHBondContact O-CA 3.06Å; S62-S74 WeakPolarHBondContact OG-CB 3.26Å; S62-S74 PolarHBondContact OG-OG 3.36Å; S74-A76 WeakPolarHBondContact OG-CB 3.08Å; S74-A76 PolarHBondContact OG-N 2.91Å; S74-H77 PolarHBondContact O-CE1 3.13Å; S74-H77 PolarHBondContact O-ND1 3.13Å; S74-H77 VanDerWaalsContact O-ND1 3.1Å
75T96.1Very high93.2Very high10 Ų1073.7 Ų73.76%0.06137%0.371CS..  trans-101.20.7172.5510000113.4Y60 Y61 H77 L78Y60-T75 WeakPolarHBondContact CA-OG1 3.48Å; Y60-T75 WeakPolarHBondContact CD1-O 3.43Å; Y60-T75 WeakPolarHBondContact CE1-O 3.39Å; Y61-T75 HydrophobicContact CD1-CG2 4.03Å; Y61-T75 HydrophobicContact CE1-CG2 3.49Å; Y61-T75 VanDerWaalsContact CE1-CG2 3.49Å; Y61-T75 HydrophobicContact CE2-CG2 4.19Å; Y61-T75 PolarHBondContact N-OG1 3.23Å; Y61-T75 PolarHBondContact O-N 3.06Å; Y61-T75 PolarHBondContact O-OG1 2.86Å; T75-H77 PolarHBondContact O-N 3.44Å; T75-H77 VanDerWaalsContact O-N 3.07Å; T75-L78 HydrophobicContact CG2-CD1 4.1Å; T75-L78 WeakPolarHBondContact O-CB 3.31Å; T75-L78 PolarHBondContact O-N 3.2Å
76A92.2Very high93Very high67 Ų6772.1 Ų72.155%0.55436%0.363SS*.THydrogen-bonded Turntrans-60-24-174.700000114S74 L78S74-A76 WeakPolarHBondContact OG-CB 3.08Å; S74-A76 PolarHBondContact OG-N 2.91Å; A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 PolarHBondContact O-N 3.44Å
77H92Very high92.6Very high149 Ų14971.8 Ų71.869%0.6937%0.374SS*.THydrogen-bonded Turntrans-77.6-12.4177.965.9-84.8000113.5S74 T75S74-H77 PolarHBondContact O-CE1 3.13Å; S74-H77 PolarHBondContact O-ND1 3.13Å; S74-H77 VanDerWaalsContact O-ND1 3.1Å; T75-H77 PolarHBondContact O-N 3.44Å; T75-H77 VanDerWaalsContact O-N 3.07Å
78L92.5Very high92.5Very high59 Ų5973.2 Ų73.231%0.30938%0.379SS..  trans-80.5124.9-177.3-61.2178.8000111.1Y60 T75 A76 Y80Y60-L78 VanDerWaalsContact CE1-O 3.28Å; Y60-L78 WeakPolarHBondContact CE1-O 3.18Å; Y60-L78 PolarHBondContact OH-O 3.36Å; T75-L78 HydrophobicContact CG2-CD1 4.1Å; T75-L78 WeakPolarHBondContact O-CB 3.31Å; T75-L78 PolarHBondContact O-N 3.2Å; A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 PolarHBondContact O-N 3.44Å; L78-Y80 PolarHBondContact O-N 3.01Å
79K88.8Confident92.4Very high159 Ų15974.7 Ų74.769%0.69138%0.383SS*.SBendtrans-57.5-37.2171.8-174.3-179.8-179.9-1740112.2
80Y86.9Confident92.4Very high113 Ų11367.3 Ų67.344%0.44334%0.343SS..SBendtrans-133.8108.1175.3-56.6-70.2000108.7L78 Q184L78-Y80 PolarHBondContact O-N 3.01Å; Y80-Q184 HydrophobicContact CD1-CG 4.14Å; Y80-Q184 HydrophobicContact CD2-CG 4.33Å; Y80-Q184 HydrophobicContact CE1-CG 4.44Å; Y80-Q184 HydrophobicContact CG-CG 4.09Å
81P91.7Very high92Very high7 Ų766.1 Ų66.15%0.04535%0.347CS..PPolyproline II helixtrans-62.6147.717624.8-31.6000109.5I58 M59 Y60 L140 R180I58-P81 HydrophobicContact CG2-CG 3.74Å; M59-P81 WeakPolarHBondContact O-CB 3.33Å; Y60-P81 HydrophobicContact CD1-CB 4.16Å; Y60-P81 HydrophobicContact CD1-CG 4.24Å; Y60-P81 HydrophobicContact CE1-CB 4.02Å; Y60-P81 HydrophobicContact CE1-CG 3.89Å; Y60-P81 HydrophobicContact CE2-CG 4.31Å; P81-L140 HydrophobicContact CG-CD1 3.84Å; P81-R180 PolarHBondContact O-NH2 3.17Å
82P88.1Confident91.8Very high64 Ų6464.3 Ų64.342%0.41633%0.334SS..PPolyproline II helixtrans-62.9160.817627.7-34.1000110.7M84P82-M84 HydrophobicContact CG-CG 4.4Å
83M91.3Very high91.8Very high41 Ų4163.6 Ų63.620%0.20234%0.339CS..EExtended strand (participates in β ladder)trans-89.1127.4166.2-148.6162.9-148.200108.1S56 V57 I58 L143 F177 R180S56-M83 VanDerWaalsContact O-CE 3.31Å; S56-M83 WeakPolarHBondContact O-CE 3.25Å; V57-M83 WeakPolarHBondContact O-CA 3.27Å; I58-M83 HydrophobicContact CD1-CE 3.8Å; I58-M83 HydrophobicContact CG1-CE 3.6Å; I58-M83 HydrophobicContact CG1-CG 4.29Å; M83-L143 HydrophobicContact CE-CB 3.83Å; M83-L143 HydrophobicContact CE-CD1 3.49Å; M83-L143 VanDerWaalsContact CE-CD1 3.49Å; M83-L143 HydrophobicContact CE-CG 3.45Å; M83-L143 VanDerWaalsContact CE-CG 3.45Å; M83-L143 HydrophobicContact SD-CD1 4.24Å; M83-F177 HydrophobicContact CE-CE1 4.18Å; M83-F177 HydrophobicContact SD-CD1 3.88Å; M83-F177 HydrophobicContact SD-CE1 3.28Å; M83-F177 WeakPolarHBondContact SD-CE1 3.38Å; M83-F177 HydrophobicContact SD-CZ 4.15Å; M83-R180 VanDerWaalsContact CE-NH1 3.33Å; M83-R180 PolarHBondContact SD-NH1 3.49Å
84M94.4Very high92Very high22 Ų2260.8 Ų60.811%0.10833%0.326CS..EExtended strand (participates in β ladder)trans-114124.8-178.6-49.2-156.9-49.600109S56 V57 M59 Y61 P82 D89 V90S56-M84 CarbonylContact C-O 3.57Å; S56-M84 WeakPolarHBondContact CA-O 3.47Å; V57-M84 PolarHBondContact N-O 3.39Å; V57-M84 PolarHBondContact O-N 3.04Å; M59-M84 HydrophobicContact CE-CB 4.47Å; M59-M84 HydrophobicContact CE-CE 3.31Å; M59-M84 HydrophobicContact CG-CE 4.46Å; M59-M84 HydrophobicContact SD-CE 3.98Å; Y61-M84 HydrophobicContact CD1-CE 4.44Å; Y61-M84 HydrophobicContact CE1-CE 3.86Å; Y61-M84 HydrophobicContact CE1-SD 4.21Å; P82-M84 HydrophobicContact CG-CG 4.4Å; M84-D89 HydrophobicContact CB-CB 4.01Å; M84-V90 HydrophobicContact CB-CG2 3.8Å; M84-V90 HydrophobicContact CE-CG2 3.63Å
85K94.9Very high92Very high27 Ų2759.4 Ų59.412%0.11732%0.316CS..EExtended strand (participates in β ladder)trans-76.5123.2173.9-176.673.9179-167.20109.4N54 R88 D89 V90 S145 D149N54-K85 WeakPolarHBondContact O-CD 3.33Å; N54-K85 WeakPolarHBondContact O-CE 3.31Å; N54-K85 PolarHBondContact O-NZ 2.85Å; K85-R88 HydrophobicContact CB-CB 4.23Å; K85-R88 HydrophobicContact CG-CB 4.09Å; K85-R88 PolarHBondContact O-N 3.26Å; K85-D89 VanDerWaalsContact CB-OD2 3.29Å; K85-D89 WeakPolarHBondContact CB-OD2 3.42Å; K85-D89 PolarHBondContact N-OD2 2.9Å; K85-D89 PolarHBondContact O-N 3.12Å; K85-V90 PolarHBondContact O-N 3.37Å; K85-S145 VanDerWaalsContact CD-OG 3.3Å; K85-S145 WeakPolarHBondContact CD-OG 3.29Å; K85-S145 VanDerWaalsContact NZ-C 3.28Å; K85-S145 PolarHBondContact NZ-O 2.99Å; K85-S145 PolarHBondContact NZ-OG 3.04Å; K85-D149 WeakPolarHBondContact CE-OD2 3.46Å; K85-D149 IonicContact NZ-OD2 3.01Å; K85-D149 PolarHBondContact NZ-OD2 3Å
86L94.3Very high92Very high3 Ų361.7 Ų61.72%0.01633%0.326CS..BIsolated β-bridgetrans-62.1141.4170-61.6-174.9000109.9V51 A55 V57 R88 V90 L99 L100V51-L86 HydrophobicContact CG1-CD1 3.69Å; A55-L86 HydrophobicContact CB-CD1 4.5Å; A55-L86 PolarHBondContact O-N 3.38Å; V57-L86 HydrophobicContact CG2-CD1 4.07Å; V57-L86 HydrophobicContact CG2-CD2 4.03Å; V57-L86 HydrophobicContact CG2-CG 3.91Å; L86-R88 PolarHBondContact O-N 2.87Å; L86-V90 HydrophobicContact CD2-CB 4.22Å; L86-V90 HydrophobicContact CD2-CG2 3.78Å; L86-L99 HydrophobicContact CD2-CB 4.2Å; L86-L99 HydrophobicContact CD2-CD1 3.71Å; L86-L100 HydrophobicContact CD1-CD2 3.76Å
87G88Confident92.2Very high50 Ų5061.4 Ų61.452%0.51532%0.315SS..THydrogen-bonded Turntrans76.80.8-175.200000115.5E96G87-E96 WeakPolarHBondContact CA-OE1 3.43Å; G87-E96 PolarHBondContact N-OE1 3.31Å
88R90.4Very high92.5Very high199 Ų19954.3 Ų54.375%0.75128%0.282SS*.THydrogen-bonded Turntrans-137.6-56.4179.3-176.2-177176.1173.41.2113.6K85 L86K85-R88 HydrophobicContact CB-CB 4.23Å; K85-R88 HydrophobicContact CG-CB 4.09Å; K85-R88 PolarHBondContact O-N 3.26Å; L86-R88 PolarHBondContact O-N 2.87Å
89D92.8Very high92.8Very high79 Ų7951.5 Ų51.542%0.42227%0.267SS..THydrogen-bonded Turntrans-95.8-26.9-174.5-54.6-34.4000111.6M84 K85 T91M84-D89 HydrophobicContact CB-CB 4.01Å; K85-D89 VanDerWaalsContact CB-OD2 3.29Å; K85-D89 WeakPolarHBondContact CB-OD2 3.42Å; K85-D89 PolarHBondContact N-OD2 2.9Å; K85-D89 PolarHBondContact O-N 3.12Å; D89-T91 PolarHBondContact O-N 2.93Å
90V90.9Very high93.2Very high5 Ų546.2 Ų46.23%0.0325%0.246CC..BIsolated β-bridgetrans-89.8100.4171.6-171.70000108.1M59 M84 K85 L86 L95 E96 L99M59-V90 HydrophobicContact CE-CG2 4.09Å; M84-V90 HydrophobicContact CB-CG2 3.8Å; M84-V90 HydrophobicContact CE-CG2 3.63Å; K85-V90 PolarHBondContact O-N 3.37Å; L86-V90 HydrophobicContact CD2-CB 4.22Å; L86-V90 HydrophobicContact CD2-CG2 3.78Å; V90-L95 HydrophobicContact CG1-CB 4.33Å; V90-L95 HydrophobicContact CG1-CD2 4.15Å; V90-L95 HydrophobicContact CG1-CG 4.1Å; V90-E96 HydrophobicContact CG1-CB 4.21Å; V90-L99 HydrophobicContact CG1-CD1 4.07Å; V90-L99 HydrophobicContact CG2-CD1 4.3Å
91T85.7Confident93.7Very high130 Ų13043 Ų4380%0.79824%0.239SC*.  trans-94.3-17.2-171.554.10000114D89 A93D89-T91 PolarHBondContact O-N 2.93Å; T91-A93 PolarHBondContact O-N 2.95Å
92L93.5Very high94Very high14 Ų1442.7 Ų42.77%0.07324%0.236CC..  trans-81.3109.6179-162.377.6000109.7G94 L95 E96 L112 A117 Y118 I133 Y135L92-G94 VanDerWaalsContact C-N 3.28Å; L92-G94 PolarHBondContact O-N 3.46Å; L92-L95 HydrophobicContact CB-CB 4.1Å; L92-L95 HydrophobicContact CD2-CB 4.15Å; L92-L95 PolarHBondContact O-N 3.24Å; L92-E96 PolarHBondContact O-N 2.84Å; L92-L112 HydrophobicContact CD2-CD1 3.55Å; L92-L112 HydrophobicContact CG-CD1 4.41Å; L92-A117 WeakPolarHBondContact CD1-O 3.43Å; L92-Y118 HydrophobicContact CD1-CD2 4.21Å; L92-Y118 HydrophobicContact CD1-CE1 4.39Å; L92-Y118 HydrophobicContact CD1-CE2 3.91Å; L92-I133 HydrophobicContact CD2-CD1 3.99Å; L92-Y135 HydrophobicContact CD2-CD2 4.05Å; L92-Y135 HydrophobicContact CD2-CE2 3.3Å
93A94.5Very high94.5Very high44 Ų4443.6 Ų43.636%0.36423%0.234SC..Hα-helixtrans-54.5-41.5-172.500000113.2T91 L95 E96 L97T91-A93 PolarHBondContact O-N 2.95Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.15Å; A93-E96 PolarHBondContact O-N 2.97Å; A93-L97 WeakPolarHBondContact O-CB 3.43Å; A93-L97 WeakPolarHBondContact O-CG 3.2Å; A93-L97 PolarHBondContact O-N 2.93Å
94G96.9Very high94.8Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-63.7-38.1177.700000113.5L92 G98 Y116L92-G94 VanDerWaalsContact C-N 3.28Å; L92-G94 PolarHBondContact O-N 3.46Å; G94-G98 PolarHBondContact O-N 3.47Å; G94-Y116 WeakPolarHBondContact CA-O 3.3Å; G94-Y116 PolarHBondContact N-O 3.43Å
95L96.6Very high95Very high6 Ų646.2 Ų46.23%0.03125%0.25CC..Hα-helixtrans-73.5-40.8176.7-176.760.4000111.3V90 L92 A93 G98 L99 Y135 V137V90-L95 HydrophobicContact CG1-CB 4.33Å; V90-L95 HydrophobicContact CG1-CD2 4.15Å; V90-L95 HydrophobicContact CG1-CG 4.1Å; L92-L95 HydrophobicContact CB-CB 4.1Å; L92-L95 HydrophobicContact CD2-CB 4.15Å; L92-L95 PolarHBondContact O-N 3.24Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.15Å; L95-G98 PolarHBondContact O-N 3.36Å; L95-L99 HydrophobicContact CD1-CD1 4.27Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 WeakPolarHBondContact O-CD1 3.39Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.32Å; L95-Y135 HydrophobicContact CD2-CE1 4.48Å; L95-V137 HydrophobicContact CD1-CG2 3.55Å
96E95.9Very high95.2Very high57 Ų5745.3 Ų45.327%0.26625%0.246SC..Hα-helixtrans-57.8-52.2175.7-178178.2-170.800111.5G87 V90 L92 A93 G98 L99 L100G87-E96 WeakPolarHBondContact CA-OE1 3.43Å; G87-E96 PolarHBondContact N-OE1 3.31Å; V90-E96 HydrophobicContact CG1-CB 4.21Å; L92-E96 PolarHBondContact O-N 2.84Å; A93-E96 PolarHBondContact O-N 2.97Å; E96-G98 VanDerWaalsContact C-N 3.33Å; E96-G98 PolarHBondContact O-N 3.46Å; E96-L99 PolarHBondContact O-N 3.21Å; E96-L100 PolarHBondContact O-N 3.44Å
97L97.1Very high95.4Very high62 Ų6247.3 Ų47.333%0.32526%0.255SS..Hα-helixtrans-64.5-39.3177.2-67.9172000111.6L33 I38 A93 L99 L100 Y116L33-L97 HydrophobicContact CD1-CD1 4.15Å; I38-L97 HydrophobicContact CD1-CB 3.84Å; I38-L97 HydrophobicContact CD1-CD1 3.77Å; I38-L97 HydrophobicContact CD1-CG 4.46Å; A93-L97 WeakPolarHBondContact O-CB 3.43Å; A93-L97 WeakPolarHBondContact O-CG 3.2Å; A93-L97 PolarHBondContact O-N 2.93Å; L97-L99 PolarHBondContact O-N 3.49Å; L97-L100 HydrophobicContact CD2-CD1 4.48Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-Y116 HydrophobicContact CD1-CD1 4.32Å; L97-Y116 HydrophobicContact CD1-CE1 4.09Å
98G97.5Very high95.9Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-60-44.217600000113G94 L95 E96 L100 T101G94-G98 PolarHBondContact O-N 3.47Å; L95-G98 PolarHBondContact O-N 3.36Å; E96-G98 VanDerWaalsContact C-N 3.33Å; E96-G98 PolarHBondContact O-N 3.46Å; G98-L100 VanDerWaalsContact C-N 3.3Å; G98-L100 PolarHBondContact O-N 3.19Å; G98-T101 WeakPolarHBondContact O-CB 3.38Å; G98-T101 PolarHBondContact O-N 3.04Å; G98-T101 PolarHBondContact O-OG1 3.47Å
99L97.9Very high96.3Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-62.8-33.4-179.9-76164.5000112.9V51 V57 M59 L86 V90 L95 E96 L97 T101 M102 V137 V139V51-L99 WeakPolarHBondContact CB-O 3.25Å; V57-L99 HydrophobicContact CG1-CD2 4.42Å; M59-L99 HydrophobicContact CE-CD1 3.33Å; M59-L99 HydrophobicContact CE-CD2 3.96Å; M59-L99 HydrophobicContact CE-CG 4.31Å; M59-L99 HydrophobicContact SD-CD1 3.94Å; M59-L99 HydrophobicContact SD-CD2 3.81Å; M59-L99 HydrophobicContact SD-CG 4.49Å; L86-L99 HydrophobicContact CD2-CB 4.2Å; L86-L99 HydrophobicContact CD2-CD1 3.71Å; V90-L99 HydrophobicContact CG1-CD1 4.07Å; V90-L99 HydrophobicContact CG2-CD1 4.3Å; L95-L99 HydrophobicContact CD1-CD1 4.27Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 WeakPolarHBondContact O-CD1 3.39Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.32Å; E96-L99 PolarHBondContact O-N 3.21Å; L97-L99 PolarHBondContact O-N 3.49Å; L99-T101 PolarHBondContact O-N 2.93Å; L99-T101 VanDerWaalsContact O-N 3.13Å; L99-M102 HydrophobicContact CD2-SD 3.89Å; L99-M102 WeakPolarHBondContact O-CB 3.47Å; L99-M102 PolarHBondContact O-N 3.34Å; L99-V137 HydrophobicContact CD2-CG1 3.93Å; L99-V139 HydrophobicContact CD2-CG2 3.7Å
100L97.3Very high96.6Very high47 Ų4735 Ų3525%0.24619%0.187CC..THydrogen-bonded Turntrans-62.2-18.1174.8-63.9174.8000112.9P50 Q53 L86 E96 L97 G98P50-L100 WeakPolarHBondContact CB-O 3.39Å; Q53-L100 HydrophobicContact CG-CD2 4.13Å; L86-L100 HydrophobicContact CD1-CD2 3.76Å; E96-L100 PolarHBondContact O-N 3.44Å; L97-L100 HydrophobicContact CD2-CD1 4.48Å; L97-L100 PolarHBondContact O-N 2.93Å; G98-L100 VanDerWaalsContact C-N 3.3Å; G98-L100 PolarHBondContact O-N 3.19Å
101T97.8Very high96.9Very high46 Ų4635 Ų3528%0.28219%0.187SC..THydrogen-bonded Turntrans-93.6-6.1175.975.60000113.4I32 K40 G98 L99I32-T101 HydrophobicContact CD1-CG2 4.07Å; I32-T101 HydrophobicContact CG2-CG2 3.74Å; K40-T101 WeakPolarHBondContact CD-OG1 3.4Å; K40-T101 PolarHBondContact NZ-O 2.97Å; K40-T101 PolarHBondContact NZ-OG1 3.46Å; G98-T101 WeakPolarHBondContact O-CB 3.38Å; G98-T101 PolarHBondContact O-N 3.04Å; G98-T101 PolarHBondContact O-OG1 3.47Å; L99-T101 PolarHBondContact O-N 2.93Å; L99-T101 VanDerWaalsContact O-N 3.13Å
102M98.4Very high97.5Very high0 Ų028.8 Ų28.80%015%0.149CC..  trans-91.8156-175.5-62.2-167.567.600112.2P50 V51 L99 E106 F110 V137 V139P50-M102 CarbonylContact C-O 3.46Å; P50-M102 VanDerWaalsContact CA-O 3.23Å; P50-M102 WeakPolarHBondContact CA-O 3.35Å; V51-M102 WeakPolarHBondContact CG2-O 3.48Å; V51-M102 PolarHBondContact N-O 3.38Å; L99-M102 HydrophobicContact CD2-SD 3.89Å; L99-M102 WeakPolarHBondContact O-CB 3.47Å; L99-M102 PolarHBondContact O-N 3.34Å; M102-E106 WeakPolarHBondContact CA-OE2 3.47Å; M102-E106 HydrophobicContact CE-CB 3.84Å; M102-E106 HydrophobicContact CE-CG 3.86Å; M102-E106 VanDerWaalsContact CE-O 3.25Å; M102-E106 WeakPolarHBondContact CE-O 3.5Å; M102-E106 WeakPolarHBondContact CG-OE1 3.34Å; M102-F110 HydrophobicContact CG-CE2 4.34Å; M102-F110 HydrophobicContact CG-CZ 3.78Å; M102-F110 HydrophobicContact SD-CE2 3.56Å; M102-F110 VanDerWaalsContact SD-CE2 3.56Å; M102-F110 HydrophobicContact SD-CZ 3.62Å; M102-V137 HydrophobicContact CE-CB 4.49Å; M102-V137 HydrophobicContact CE-CG1 4.38Å; M102-V137 HydrophobicContact SD-CB 4.24Å; M102-V137 HydrophobicContact SD-CG1 3.95Å; M102-V139 HydrophobicContact CB-CG2 4.04Å; M102-V139 HydrophobicContact CE-CB 4.22Å; M102-V139 HydrophobicContact CE-CG2 3.67Å; M102-V139 HydrophobicContact CG-CG2 4.49Å; M102-V139 HydrophobicContact SD-CG2 3.66Å
103K98.3Very high97.7Very high84 Ų8431 Ų3137%0.36516%0.159SC..EExtended strand (participates in β ladder)trans-110.5168.7173.4-66.2176.4179.2179.40112.1G48 G105 E106G48-K103 VanDerWaalsContact O-CD 3.29Å; G48-K103 WeakPolarHBondContact O-CD 3.46Å; G48-K103 WeakPolarHBondContact O-CE 3.39Å; K103-G105 PolarHBondContact O-N 2.93Å; K103-E106 HydrophobicContact CB-CB 4.46Å; K103-E106 PolarHBondContact N-OE2 3.22Å; K103-E106 WeakPolarHBondContact O-CB 3.49Å; K103-E106 PolarHBondContact O-N 3.38Å; K103-E106 VanDerWaalsContact O-N 3.15Å
104K97.9Very high97.9Very high94 Ų9429.5 Ų29.541%0.40915%0.145SC..EExtended strand (participates in β ladder)trans-62.1130173.9177.1176.1-177151.50110.6G46 E47 E106 D141 Y142G46-K104 CarbonylContact C-O 3.58Å; G46-K104 WeakPolarHBondContact CA-O 3.37Å; E47-K104 PolarHBondContact N-O 2.97Å; E47-K104 PolarHBondContact O-N 3.46Å; K104-E106 VanDerWaalsContact C-N 3.26Å; K104-E106 PolarHBondContact O-N 3.38Å; K104-D141 VanDerWaalsContact CD-OD1 3.3Å; K104-D141 WeakPolarHBondContact CD-OD1 3.48Å; K104-D141 WeakPolarHBondContact CE-OD1 3.43Å; K104-D141 IonicContact NZ-OD1 2.82Å; K104-D141 PolarHBondContact NZ-OD1 3.37Å; K104-D141 IonicContact NZ-OD2 2.84Å; K104-D141 PolarHBondContact NZ-OD2 2.71Å; K104-Y142 HydrophobicContact CB-CD1 4.47Å; K104-Y142 HydrophobicContact CB-CE1 4.06Å
105G98Very high97.9Very high23 Ų2335.2 Ų35.224%0.23717%0.172CC..THydrogen-bonded Turntrans78.93.1-177.800000114.4K103 V139K103-G105 PolarHBondContact O-N 2.93Å; G105-V139 CarbonylContact C-O 3.49Å; G105-V139 WeakPolarHBondContact CA-O 3.43Å; G105-V139 PolarHBondContact N-O 3Å
106E98.7Very high97.9Very high8 Ų837 Ų374%0.03718%0.179CC..  trans-75.2137-179.5-170.3-178.8125.100111.4K40 V42 Q44 M102 K103 K104 S108 H138 V139K40-E106 WeakPolarHBondContact CE-OE1 3.38Å; K40-E106 IonicContact NZ-OE1 2.65Å; K40-E106 PolarHBondContact NZ-OE1 2.93Å; V42-E106 HydrophobicContact CG1-CG 4.19Å; Q44-E106 WeakPolarHBondContact O-CA 3.22Å; Q44-E106 VanDerWaalsContact O-CG 3.32Å; Q44-E106 WeakPolarHBondContact O-CG 3.42Å; M102-E106 WeakPolarHBondContact CA-OE2 3.47Å; M102-E106 HydrophobicContact CE-CB 3.84Å; M102-E106 HydrophobicContact CE-CG 3.86Å; M102-E106 VanDerWaalsContact CE-O 3.25Å; M102-E106 WeakPolarHBondContact CE-O 3.5Å; M102-E106 WeakPolarHBondContact CG-OE1 3.34Å; K103-E106 HydrophobicContact CB-CB 4.46Å; K103-E106 PolarHBondContact N-OE2 3.22Å; K103-E106 WeakPolarHBondContact O-CB 3.49Å; K103-E106 PolarHBondContact O-N 3.38Å; K103-E106 VanDerWaalsContact O-N 3.15Å; K104-E106 VanDerWaalsContact C-N 3.26Å; K104-E106 PolarHBondContact O-N 3.38Å; E106-S108 PolarHBondContact OE1-OG 2.98Å; E106-H138 WeakPolarHBondContact O-CA 3.46Å; E106-H138 PolarHBondContact O-CD2 2.9Å; E106-V139 PolarHBondContact O-N 3.31Å
107F98.7Very high97.9Very high46 Ų4635.2 Ų35.220%0.20217%0.173CC..EExtended strand (participates in β ladder)trans-112.1119.4166.1-177.6-123.2000109.4V43 Q44 E136 V137 H138V43-F107 WeakPolarHBondContact CA-O 3.39Å; V43-F107 HydrophobicContact CB-CD1 3.57Å; V43-F107 HydrophobicContact CB-CE1 4.04Å; V43-F107 HydrophobicContact CB-CG 4.45Å; V43-F107 WeakPolarHBondContact CB-O 3.47Å; V43-F107 HydrophobicContact CG1-CD1 3.63Å; V43-F107 HydrophobicContact CG1-CE1 3.9Å; V43-F107 HydrophobicContact CG2-CD1 4.2Å; V43-F107 HydrophobicContact CG2-CE1 4.25Å; V43-F107 PolarHBondContact N-O 3.24Å; Q44-F107 HydrophobicContact CB-CB 3.92Å; Q44-F107 PolarHBondContact N-O 2.97Å; Q44-F107 PolarHBondContact O-N 3.21Å; F107-E136 HydrophobicContact CE2-CB 3.9Å; F107-E136 HydrophobicContact CZ-CB 3.86Å; F107-E136 HydrophobicContact CZ-CG 4.44Å; F107-V137 CarbonylContact C-O 3.59Å; F107-V137 WeakPolarHBondContact CA-O 3.25Å; F107-V137 VanDerWaalsContact CD2-O 3.24Å; F107-V137 WeakPolarHBondContact CD2-O 3.41Å; F107-H138 HydrophobicContact CD2-CB 3.74Å; F107-H138 HydrophobicContact CE2-CB 4.45Å
108S98.7Very high97.9Very high0 Ų035.3 Ų35.30%017%0.17CC..EExtended strand (participates in β ladder)trans-134.4151.7-176.4-74.70000111.5K40 E41 E106 V137K40-S108 VanDerWaalsContact CE-OG 3.25Å; K40-S108 WeakPolarHBondContact CE-OG 3.45Å; E41-S108 CarbonylContact O-C 3.56Å; E41-S108 VanDerWaalsContact O-CA 3.24Å; E41-S108 WeakPolarHBondContact O-CA 3.37Å; E41-S108 WeakPolarHBondContact O-CB 3.48Å; E106-S108 PolarHBondContact OE1-OG 2.98Å; S108-V137 PolarHBondContact N-O 3.31Å; S108-V137 PolarHBondContact O-N 3.01Å
109R98.6Very high97.8Very high70 Ų7036.3 Ų36.326%0.26418%0.18SC..EExtended strand (participates in β ladder)trans-103.7141.1169.4-64.4-171.8177.4131.8-5.7110.3M29 K40 E41 V43 L134 Y135 E136M29-R109 HydrophobicContact CE-CB 3.96Å; M29-R109 WeakPolarHBondContact CE-O 3.33Å; K40-R109 VanDerWaalsContact CA-O 3.31Å; K40-R109 WeakPolarHBondContact CA-O 3.23Å; E41-R109 HydrophobicContact CB-CB 4.37Å; E41-R109 PolarHBondContact N-O 2.91Å; E41-R109 PolarHBondContact O-N 2.88Å; E41-R109 WeakPolarHBondContact OE2-CD 3.48Å; E41-R109 IonicContact OE2-CZ 2.73Å; E41-R109 IonicContact OE2-NH1 3.34Å; E41-R109 PolarHBondContact OE2-NH1 3.26Å; V43-R109 HydrophobicContact CG2-CG 3.82Å; R109-L134 HydrophobicContact CB-CD1 4.12Å; R109-Y135 CarbonylContact C-O 3.57Å; R109-Y135 VanDerWaalsContact CA-O 3.24Å; R109-Y135 WeakPolarHBondContact CA-O 3.36Å; R109-E136 HydrophobicContact CG-CG 4.12Å; R109-E136 IonicContact CZ-OE1 2.68Å; R109-E136 IonicContact NE-OE1 2.74Å; R109-E136 PolarHBondContact NE-OE1 3.01Å; R109-E136 IonicContact NH2-OE1 3.9Å; R109-E136 PolarHBondContact NH2-OE1 3.36Å
110F98.6Very high97.8Very high0 Ų043.2 Ų43.20%021%0.212CC..EExtended strand (participates in β ladder)trans-126116.1176.4-62.7-86.8000109.6I32 I38 L39 K40 M102 L112 L134 Y135 V137I32-F110 HydrophobicContact CD1-CD1 4.17Å; I32-F110 HydrophobicContact CD1-CE1 3.88Å; I38-F110 HydrophobicContact CG2-CD1 4.36Å; L39-F110 CarbonylContact O-C 3.37Å; L39-F110 VanDerWaalsContact O-CA 3.29Å; L39-F110 WeakPolarHBondContact O-CA 3.42Å; K40-F110 HydrophobicContact CB-CD1 4.17Å; K40-F110 HydrophobicContact CB-CE1 4.17Å; K40-F110 HydrophobicContact CD-CD1 4.34Å; K40-F110 HydrophobicContact CD-CE1 3.52Å; K40-F110 HydrophobicContact CD-CZ 3.88Å; K40-F110 HydrophobicContact CG-CD1 4.22Å; K40-F110 HydrophobicContact CG-CE1 3.87Å; K40-F110 HydrophobicContact CG-CZ 4.35Å; M102-F110 HydrophobicContact CG-CE2 4.34Å; M102-F110 HydrophobicContact CG-CZ 3.78Å; M102-F110 HydrophobicContact SD-CE2 3.56Å; M102-F110 VanDerWaalsContact SD-CE2 3.56Å; M102-F110 HydrophobicContact SD-CZ 3.62Å; F110-L112 HydrophobicContact CB-CD2 3.9Å; F110-L112 HydrophobicContact CB-CG 4.25Å; F110-L134 CarbonylContact O-C 3.59Å; F110-L134 WeakPolarHBondContact O-CA 3.29Å; F110-Y135 PolarHBondContact N-O 3.14Å; F110-Y135 PolarHBondContact O-N 3.14Å; F110-V137 HydrophobicContact CD2-CB 4.29Å; F110-V137 HydrophobicContact CD2-CG2 3.75Å; F110-V137 HydrophobicContact CE2-CB 4.04Å; F110-V137 HydrophobicContact CE2-CG2 3.94Å
111L98.6Very high97.7Very high4 Ų448.7 Ų48.72%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-96111.9169177.362.3000107.5F22 M29 L39 A132 L134F22-L111 HydrophobicContact CB-CD1 3.87Å; F22-L111 HydrophobicContact CB-CD2 3.95Å; F22-L111 HydrophobicContact CD1-CD1 4.34Å; F22-L111 HydrophobicContact CD2-CD1 3.48Å; F22-L111 VanDerWaalsContact CD2-CD1 3.48Å; F22-L111 HydrophobicContact CE2-CD1 4Å; F22-L111 HydrophobicContact CG-CD1 3.66Å; F22-L111 VanDerWaalsContact O-CD2 3.29Å; F22-L111 WeakPolarHBondContact O-CD2 3.39Å; M29-L111 HydrophobicContact CE-CB 4.08Å; M29-L111 HydrophobicContact SD-CB 3.64Å; M29-L111 HydrophobicContact SD-CD2 4.43Å; L39-L111 HydrophobicContact CB-CB 4.25Å; L39-L111 HydrophobicContact CD1-CD2 4.27Å; L39-L111 PolarHBondContact N-O 2.97Å; L39-L111 PolarHBondContact O-N 3.24Å; L111-A132 HydrophobicContact CD1-CB 4.48Å; L111-L134 HydrophobicContact CB-CD1 4.45Å
112L98.4Very high97.5Very high0 Ų047.1 Ų47.10%023%0.232CC..EExtended strand (participates in β ladder)trans-107.1121.7-172.2-53.5-177.5000109.4I38 L92 F110 A117 A132 I133 Y135I38-L112 HydrophobicContact CB-CD2 4.36Å; I38-L112 HydrophobicContact CG1-CD2 4.32Å; I38-L112 HydrophobicContact CG2-CD2 3.69Å; L92-L112 HydrophobicContact CD2-CD1 3.55Å; L92-L112 HydrophobicContact CG-CD1 4.41Å; F110-L112 HydrophobicContact CB-CD2 3.9Å; F110-L112 HydrophobicContact CB-CG 4.25Å; L112-A117 HydrophobicContact CB-CB 4.2Å; L112-A132 VanDerWaalsContact O-CA 3.28Å; L112-A132 WeakPolarHBondContact O-CA 3.32Å; L112-I133 HydrophobicContact CB-CG1 3.97Å; L112-I133 HydrophobicContact CD1-CG1 4.41Å; L112-I133 PolarHBondContact N-O 3.21Å; L112-I133 PolarHBondContact O-N 2.97Å; L112-Y135 HydrophobicContact CD1-CD2 3.86Å; L112-Y135 HydrophobicContact CD1-CE2 4.29Å
113Q98.1Very high97.3Very high60 Ų6049.8 Ų49.828%0.2825%0.25SS..  trans-71.3158.9171.4-62.9-58.4-28.800110.8G36 G37 Q115 Y116 A117G36-Q113 VanDerWaalsContact O-CG 3.29Å; G36-Q113 WeakPolarHBondContact O-CG 3.41Å; G37-Q113 PolarHBondContact O-N 2.76Å; Q113-Q115 VanDerWaalsContact CB-OE1 3.26Å; Q113-Q115 PolarHBondContact O-N 3.33Å; Q113-Q115 VanDerWaalsContact O-N 3.08Å; Q113-Y116 CarbonylContact O-C 3.41Å; Q113-Y116 PolarHBondContact O-N 2.86Å; Q113-A117 WeakPolarHBondContact O-CB 3.4Å; Q113-A117 PolarHBondContact O-N 3.34Å
114P97.6Very high96.9Very high13 Ų1350.7 Ų50.78%0.08426%0.264CS..G310 helixtrans-50.8-40.5-172-29.836.8000114.4Y116 A117 G119 A130P114-Y116 PolarHBondContact O-N 3.43Å; P114-A117 CarbonylContact O-C 3.59Å; P114-A117 PolarHBondContact O-N 2.85Å; P114-G119 WeakPolarHBondContact O-CA 3.39Å; P114-G119 PolarHBondContact O-N 3.23Å; P114-A130 HydrophobicContact CG-CB 4.32Å; P114-A130 WeakPolarHBondContact CG-O 3.31Å
115Q96.8Very high96.5Very high119 Ų11951.9 Ų51.956%0.55628%0.282SS*.G310 helixtrans-63-22179.767.7-84.418.700114.5Q113Q113-Q115 VanDerWaalsContact CB-OE1 3.26Å; Q113-Q115 PolarHBondContact O-N 3.33Å; Q113-Q115 VanDerWaalsContact O-N 3.08Å
116Y97.5Very high96.2Very high45 Ų4557.9 Ų57.918%0.17630%0.301CS..G310 helixtrans-107.15.7174.2-68.1-71.3000112.8L33 D35 I38 G94 L97 Q113 P114L33-Y116 HydrophobicContact CD1-CE1 3.86Å; L33-Y116 HydrophobicContact CD1-CE2 4.36Å; L33-Y116 VanDerWaalsContact CD1-OH 3.26Å; L33-Y116 WeakPolarHBondContact CD1-OH 3.46Å; D35-Y116 VanDerWaalsContact OD2-CE2 3.27Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.48Å; D35-Y116 PolarHBondContact OD2-OH 2.92Å; I38-Y116 HydrophobicContact CD1-CD1 3.7Å; I38-Y116 HydrophobicContact CD1-CD2 4.34Å; I38-Y116 HydrophobicContact CD1-CE1 4.01Å; I38-Y116 HydrophobicContact CD1-CG 3.88Å; I38-Y116 HydrophobicContact CG1-CD1 3.94Å; I38-Y116 HydrophobicContact CG1-CD2 3.69Å; I38-Y116 HydrophobicContact CG1-CE1 4.39Å; I38-Y116 HydrophobicContact CG1-CE2 4.18Å; I38-Y116 HydrophobicContact CG1-CG 3.56Å; G94-Y116 WeakPolarHBondContact CA-O 3.3Å; G94-Y116 PolarHBondContact N-O 3.43Å; L97-Y116 HydrophobicContact CD1-CD1 4.32Å; L97-Y116 HydrophobicContact CD1-CE1 4.09Å; Q113-Y116 CarbonylContact O-C 3.41Å; Q113-Y116 PolarHBondContact O-N 2.86Å; P114-Y116 PolarHBondContact O-N 3.43Å
117A96.3Very high96Very high19 Ų1957.8 Ų57.816%0.15730%0.301CS..THydrogen-bonded Turntrans-120.4-120.9-178.400000110.3L92 L112 Q113 P114 I133L92-A117 WeakPolarHBondContact CD1-O 3.43Å; L112-A117 HydrophobicContact CB-CB 4.2Å; Q113-A117 WeakPolarHBondContact O-CB 3.4Å; Q113-A117 PolarHBondContact O-N 3.34Å; P114-A117 CarbonylContact O-C 3.59Å; P114-A117 PolarHBondContact O-N 2.85Å; A117-I133 HydrophobicContact CB-CD1 3.53Å; A117-I133 HydrophobicContact CB-CG1 3.78Å
118Y96.1Very high95.9Very high64 Ų6459.1 Ų59.125%0.25131%0.314SS..THydrogen-bonded Turntrans-100.48.8-177.4-62.7-90.5000113.8F72 L92 G122 C123 I127 I133 Y135F72-Y118 HydrophobicContact CE2-CE2 4.34Å; F72-Y118 HydrophobicContact CZ-CE2 4.26Å; L92-Y118 HydrophobicContact CD1-CD2 4.21Å; L92-Y118 HydrophobicContact CD1-CE1 4.39Å; L92-Y118 HydrophobicContact CD1-CE2 3.91Å; Y118-G122 WeakPolarHBondContact O-CA 3.39Å; Y118-G122 PolarHBondContact O-N 3.4Å; Y118-G122 VanDerWaalsContact O-N 3.12Å; Y118-C123 HydrophobicContact CD1-CB 4.02Å; Y118-C123 HydrophobicContact CE1-CB 4.45Å; Y118-I127 HydrophobicContact CD1-CD1 3.92Å; Y118-I127 HydrophobicContact CD2-CD1 3.41Å; Y118-I127 VanDerWaalsContact CD2-CD1 3.41Å; Y118-I127 HydrophobicContact CD2-CG2 3.87Å; Y118-I127 HydrophobicContact CE1-CD1 3.67Å; Y118-I127 HydrophobicContact CE2-CD1 3.14Å; Y118-I127 HydrophobicContact CG-CD1 3.79Å; Y118-I127 HydrophobicContact CG-CG2 4.09Å; Y118-I133 HydrophobicContact CD2-CD1 3.71Å; Y118-I133 HydrophobicContact CE2-CD1 3.48Å; Y118-I133 VanDerWaalsContact CE2-CD1 3.48Å; Y118-Y135 PolarHBondContact OH-OH 2.9Å
119G95.9Very high95.8Very high21 Ų2162.2 Ų62.222%0.21634%0.34CS..THydrogen-bonded Turntrans64-165.5174.400000115.1P114 M121 G122 A130P114-G119 WeakPolarHBondContact O-CA 3.39Å; P114-G119 PolarHBondContact O-N 3.23Å; G119-M121 PolarHBondContact O-N 3.23Å; G119-G122 PolarHBondContact O-N 3.02Å; G119-A130 PolarHBondContact O-N 3.03Å; G119-A130 VanDerWaalsContact O-N 3.1Å
120E96.7Very high95.7Very high144 Ų14461.1 Ų61.167%0.67335%0.346SS*.THydrogen-bonded Turntrans-63.1-28.4-179.2-63.5-57137.800113.1A129E120-A129 VanDerWaalsContact O-CA 3.3Å; E120-A129 WeakPolarHBondContact O-CA 3.46Å; E120-A129 WeakPolarHBondContact O-CB 3.47Å
121M95.3Very high95.6Very high162 Ų16262 Ų6280%0.79835%0.353SS*.THydrogen-bonded Turntrans-84-22.7-179.3-67-171.1-69.800113.1G119G119-M121 PolarHBondContact O-N 3.23Å
122G95.1Very high95.6Very high14 Ų1462.9 Ų62.914%0.14436%0.361CS..  trans62.8-150.8-171.500000112.4Y118 G119 P128Y118-G122 WeakPolarHBondContact O-CA 3.39Å; Y118-G122 PolarHBondContact O-N 3.4Å; Y118-G122 VanDerWaalsContact O-N 3.12Å; G119-G122 PolarHBondContact O-N 3.02Å; G122-P128 WeakPolarHBondContact CA-O 3.25Å
123C93.6Very high95.5Very high56 Ų5662.9 Ų62.938%0.37836%0.361SS..BIsolated β-bridgetrans-138.677.3173.1-1700000109.8Y118 F126 I127Y118-C123 HydrophobicContact CD1-CB 4.02Å; Y118-C123 HydrophobicContact CE1-CB 4.45Å; C123-F126 PolarHBondContact O-N 3.18Å; C123-I127 CarbonylContact C-O 3.52Å; C123-I127 HydrophobicContact CB-CB 3.89Å; C123-I127 HydrophobicContact CB-CD1 4.17Å; C123-I127 HydrophobicContact CB-CG1 4.16Å; C123-I127 PolarHBondContact N-O 3.45Å; C123-I127 PolarHBondContact O-N 2.85Å
124P89.6Confident95.5Very high103 Ų10361 Ų6167%0.66935%0.353SS*.THydrogen-bonded Turntrans-63.1145-175.7-23.935000113.2F126P124-F126 VanDerWaalsContact C-N 3.34Å
125P90.8Very high95.6Very high118 Ų11860.4 Ų60.477%0.76635%0.349SS*.THydrogen-bonded Turncis-84.93-2.936-37.3000114.2
126F90Very high95.6Very high149 Ų14956.9 Ų56.965%0.65433%0.332SS*.THydrogen-bonded Turntrans-83.3-38.2-166.3-56.1-72.8000113.9C123 P124C123-F126 PolarHBondContact O-N 3.18Å; P124-F126 VanDerWaalsContact C-N 3.34Å
127I95.3Very high95.7Very high6 Ų654.7 Ų54.73%0.03132%0.324CS..BIsolated β-bridgetrans-125.4119.5-175.8-55.1-178.5000108.1L65 F72 Y118 C123 A131L65-I127 HydrophobicContact CD2-CG2 4.33Å; F72-I127 HydrophobicContact CD2-CD1 4.03Å; F72-I127 HydrophobicContact CD2-CG1 4.49Å; F72-I127 HydrophobicContact CE2-CD1 3.82Å; F72-I127 HydrophobicContact CZ-CD1 4.2Å; Y118-I127 HydrophobicContact CD1-CD1 3.92Å; Y118-I127 HydrophobicContact CD2-CD1 3.41Å; Y118-I127 VanDerWaalsContact CD2-CD1 3.41Å; Y118-I127 HydrophobicContact CD2-CG2 3.87Å; Y118-I127 HydrophobicContact CE1-CD1 3.67Å; Y118-I127 HydrophobicContact CE2-CD1 3.14Å; Y118-I127 HydrophobicContact CG-CD1 3.79Å; Y118-I127 HydrophobicContact CG-CG2 4.09Å; C123-I127 CarbonylContact C-O 3.52Å; C123-I127 HydrophobicContact CB-CB 3.89Å; C123-I127 HydrophobicContact CB-CD1 4.17Å; C123-I127 HydrophobicContact CB-CG1 4.16Å; C123-I127 PolarHBondContact N-O 3.45Å; C123-I127 PolarHBondContact O-N 2.85Å; I127-A131 HydrophobicContact CG2-CB 4.24Å
128P96.1Very high95.8Very high74 Ų7456.7 Ų56.748%0.48133%0.33SS..  trans-62.4158.2178.7-21.632.7000113.1G122 A131G122-P128 WeakPolarHBondContact CA-O 3.25Å; P128-A131 HydrophobicContact CB-CB 4.24Å; P128-A131 WeakPolarHBondContact O-CB 3.22Å; P128-A131 PolarHBondContact O-N 3.11Å
129A96.9Very high95.9Very high66 Ų6653.6 Ų53.655%0.54532%0.318SS..THydrogen-bonded Turntrans-55138.1167.400000111.2E120 A131E120-A129 VanDerWaalsContact O-CA 3.3Å; E120-A129 WeakPolarHBondContact O-CA 3.46Å; E120-A129 WeakPolarHBondContact O-CB 3.47Å; A129-A131 PolarHBondContact O-N 2.92Å; A129-A131 VanDerWaalsContact O-N 3.11Å
130A96.5Very high95.9Very high47 Ų4755.3 Ų55.339%0.38832%0.322SS..THydrogen-bonded Turntrans52.631.717700000114.4P114 G119P114-A130 HydrophobicContact CG-CB 4.32Å; P114-A130 WeakPolarHBondContact CG-O 3.31Å; G119-A130 PolarHBondContact O-N 3.03Å; G119-A130 VanDerWaalsContact O-N 3.1Å
131A96.8Very high95.9Very high17 Ų1750.9 Ų50.914%0.1430%0.303CS..  trans-81.7129.2179.300000111.9L65 I127 P128 A129L65-A131 HydrophobicContact CD2-CB 4.14Å; I127-A131 HydrophobicContact CG2-CB 4.24Å; P128-A131 HydrophobicContact CB-CB 4.24Å; P128-A131 WeakPolarHBondContact O-CB 3.22Å; P128-A131 PolarHBondContact O-N 3.11Å; A129-A131 PolarHBondContact O-N 2.92Å; A129-A131 VanDerWaalsContact O-N 3.11Å
132A97.5Very high95.9Very high24 Ų2445 Ų4520%0.19827%0.272CS..  trans-74.7146.6160.700000109.7F22 L111 L112F22-A132 HydrophobicContact CD2-CB 4.34Å; L111-A132 HydrophobicContact CD1-CB 4.48Å; L112-A132 VanDerWaalsContact O-CA 3.28Å; L112-A132 WeakPolarHBondContact O-CA 3.32Å
133I97.7Very high95.9Very high0 Ų045.4 Ų45.40%027%0.27CS..EExtended strand (participates in β ladder)trans-134.8147.8-177.262.5-175.3000111.5Y64 L65 F72 L92 L112 A117 Y118 Y135Y64-I133 WeakPolarHBondContact O-CA 3.49Å; L65-I133 HydrophobicContact CD2-CG2 4.03Å; F72-I133 HydrophobicContact CE1-CB 4.29Å; F72-I133 HydrophobicContact CE1-CG2 4.12Å; F72-I133 HydrophobicContact CZ-CD1 4.28Å; F72-I133 HydrophobicContact CZ-CG2 4.45Å; L92-I133 HydrophobicContact CD2-CD1 3.99Å; L112-I133 HydrophobicContact CB-CG1 3.97Å; L112-I133 HydrophobicContact CD1-CG1 4.41Å; L112-I133 PolarHBondContact N-O 3.21Å; L112-I133 PolarHBondContact O-N 2.97Å; A117-I133 HydrophobicContact CB-CD1 3.53Å; A117-I133 HydrophobicContact CB-CG1 3.78Å; Y118-I133 HydrophobicContact CD2-CD1 3.71Å; Y118-I133 HydrophobicContact CE2-CD1 3.48Å; Y118-I133 VanDerWaalsContact CE2-CD1 3.48Å; I133-Y135 HydrophobicContact CD1-CD2 4.15Å; I133-Y135 HydrophobicContact CD1-CE2 3.5Å; I133-Y135 VanDerWaalsContact CD1-CE2 3.5Å; I133-Y135 HydrophobicContact CG1-CD2 4.26Å; I133-Y135 HydrophobicContact CG1-CE2 4.09Å
134L98.3Very high95.8Very high19 Ų1945 Ų4510%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-105.8124.8175.8177.568.9000109.4F22 L25 G63 Y64 R109 F110 L111F22-L134 HydrophobicContact CE1-CB 3.8Å; F22-L134 HydrophobicContact CE1-CD2 4.16Å; F22-L134 HydrophobicContact CE2-CB 4.29Å; F22-L134 HydrophobicContact CZ-CB 3.56Å; L25-L134 HydrophobicContact CD2-CD1 3.74Å; L25-L134 HydrophobicContact CD2-CD2 4.01Å; G63-L134 CarbonylContact C-O 3.57Å; G63-L134 WeakPolarHBondContact CA-O 3.36Å; Y64-L134 PolarHBondContact N-O 3.32Å; Y64-L134 PolarHBondContact O-N 3.33Å; R109-L134 HydrophobicContact CB-CD1 4.12Å; F110-L134 CarbonylContact O-C 3.59Å; F110-L134 WeakPolarHBondContact O-CA 3.29Å; L111-L134 HydrophobicContact CB-CD1 4.45Å
135Y98.2Very high95.9Very high2 Ų240.3 Ų40.31%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-105.8131.1166.8-86.8-88.9000110.8Y61 S62 F72 E73 L92 L95 R109 F110 L112 Y118 I133Y61-Y135 HydrophobicContact CD2-CD1 4.16Å; Y61-Y135 AromaticContact CD2-CE1 3.81Å; Y61-Y135 HydrophobicContact CD2-CE1 3.81Å; Y61-Y135 HydrophobicContact CE2-CE1 4.32Å; S62-Y135 WeakPolarHBondContact O-CA 3.4Å; F72-Y135 HydrophobicContact CZ-CE2 4.26Å; E73-Y135 HydrophobicContact CG-CE1 4.36Å; E73-Y135 WeakPolarHBondContact OE1-CE1 3.23Å; E73-Y135 PolarHBondContact OE1-OH 3.46Å; L92-Y135 HydrophobicContact CD2-CD2 4.05Å; L92-Y135 HydrophobicContact CD2-CE2 3.3Å; L95-Y135 HydrophobicContact CD2-CE1 4.48Å; R109-Y135 CarbonylContact C-O 3.57Å; R109-Y135 VanDerWaalsContact CA-O 3.24Å; R109-Y135 WeakPolarHBondContact CA-O 3.36Å; F110-Y135 PolarHBondContact N-O 3.14Å; F110-Y135 PolarHBondContact O-N 3.14Å; L112-Y135 HydrophobicContact CD1-CD2 3.86Å; L112-Y135 HydrophobicContact CD1-CE2 4.29Å; Y118-Y135 PolarHBondContact OH-OH 2.9Å; I133-Y135 HydrophobicContact CD1-CD2 4.15Å; I133-Y135 HydrophobicContact CD1-CE2 3.5Å; I133-Y135 VanDerWaalsContact CD1-CE2 3.5Å; I133-Y135 HydrophobicContact CG1-CD2 4.26Å; I133-Y135 HydrophobicContact CG1-CE2 4.09Å
136E98.3Very high95.9Very high44 Ų4434.8 Ų34.821%0.20620%0.199CC..EExtended strand (participates in β ladder)trans-100.1124.5161.6-57.1-161.213400108.3Y61 S62 Y64 F107 R109Y61-E136 CarbonylContact C-O 3.46Å; Y61-E136 WeakPolarHBondContact CA-O 3.48Å; S62-E136 PolarHBondContact N-O 3.1Å; S62-E136 PolarHBondContact O-N 3.01Å; Y64-E136 HydrophobicContact CE2-CG 4.07Å; F107-E136 HydrophobicContact CE2-CB 3.9Å; F107-E136 HydrophobicContact CZ-CB 3.86Å; F107-E136 HydrophobicContact CZ-CG 4.44Å; R109-E136 HydrophobicContact CG-CG 4.12Å; R109-E136 IonicContact CZ-OE1 2.68Å; R109-E136 IonicContact NE-OE1 2.74Å; R109-E136 PolarHBondContact NE-OE1 3.01Å; R109-E136 IonicContact NH2-OE1 3.9Å; R109-E136 PolarHBondContact NH2-OE1 3.36Å
137V98.4Very high95.9Very high0 Ų030 Ų300%018%0.179CC..EExtended strand (participates in β ladder)trans-132.3126.2-170.3-174.10000109.8M59 Y60 L95 L99 M102 F107 S108 F110 V139M59-V137 HydrophobicContact CB-CG1 4.31Å; M59-V137 HydrophobicContact SD-CG1 3.92Å; Y60-V137 CarbonylContact O-C 3.54Å; Y60-V137 WeakPolarHBondContact O-CA 3.4Å; L95-V137 HydrophobicContact CD1-CG2 3.55Å; L99-V137 HydrophobicContact CD2-CG1 3.93Å; M102-V137 HydrophobicContact CE-CB 4.49Å; M102-V137 HydrophobicContact CE-CG1 4.38Å; M102-V137 HydrophobicContact SD-CB 4.24Å; M102-V137 HydrophobicContact SD-CG1 3.95Å; F107-V137 CarbonylContact C-O 3.59Å; F107-V137 WeakPolarHBondContact CA-O 3.25Å; F107-V137 VanDerWaalsContact CD2-O 3.24Å; F107-V137 WeakPolarHBondContact CD2-O 3.41Å; S108-V137 PolarHBondContact N-O 3.31Å; S108-V137 PolarHBondContact O-N 3.01Å; F110-V137 HydrophobicContact CD2-CB 4.29Å; F110-V137 HydrophobicContact CD2-CG2 3.75Å; F110-V137 HydrophobicContact CE2-CB 4.04Å; F110-V137 HydrophobicContact CE2-CG2 3.94Å; V137-V139 HydrophobicContact CG1-CG2 4.43Å
138H98.3Very high95.8Very high60 Ų6030 Ų3028%0.27818%0.179SC..EExtended strand (participates in β ladder)trans-114.5107.3173.4-174.5-172.7000109.5M59 Y60 E106 F107 L140M59-H138 CarbonylContact C-O 3.53Å; M59-H138 WeakPolarHBondContact CA-O 3.36Å; M59-H138 VanDerWaalsContact CB-O 3.31Å; M59-H138 WeakPolarHBondContact CB-O 3.42Å; Y60-H138 PolarHBondContact N-O 3.32Å; Y60-H138 PolarHBondContact O-N 3.34Å; E106-H138 WeakPolarHBondContact O-CA 3.46Å; E106-H138 PolarHBondContact O-CD2 2.9Å; F107-H138 HydrophobicContact CD2-CB 3.74Å; F107-H138 HydrophobicContact CE2-CB 4.45Å; H138-L140 PolarHBondContact O-N 3.22Å
139V98.1Very high95.6Very high0 Ų030.5 Ų30.50%018%0.178CC..EExtended strand (participates in β ladder)trans-80.5110.4174.8172.60000108.9V51 V57 M59 L99 M102 G105 E106 V137V51-V139 HydrophobicContact CG2-CG1 4.42Å; V57-V139 HydrophobicContact CG1-CG1 4.07Å; V57-V139 HydrophobicContact CG1-CG2 4.16Å; M59-V139 HydrophobicContact CB-CG2 4.47Å; L99-V139 HydrophobicContact CD2-CG2 3.7Å; M102-V139 HydrophobicContact CB-CG2 4.04Å; M102-V139 HydrophobicContact CE-CB 4.22Å; M102-V139 HydrophobicContact CE-CG2 3.67Å; M102-V139 HydrophobicContact CG-CG2 4.49Å; M102-V139 HydrophobicContact SD-CG2 3.66Å; G105-V139 CarbonylContact C-O 3.49Å; G105-V139 WeakPolarHBondContact CA-O 3.43Å; G105-V139 PolarHBondContact N-O 3Å; E106-V139 PolarHBondContact O-N 3.31Å; V137-V139 HydrophobicContact CG1-CG2 4.43Å
140L96.7Very high95.3Very high57 Ų5733 Ų3330%0.29818%0.178SC..EExtended strand (participates in β ladder)trans-77.8-44.6178.3-56.8-177000111.7I58 Y60 P81 H138I58-L140 HydrophobicContact CB-CB 4.31Å; I58-L140 HydrophobicContact CG2-CB 4.21Å; I58-L140 HydrophobicContact CG2-CD1 4.09Å; I58-L140 PolarHBondContact O-N 2.95Å; Y60-L140 HydrophobicContact CD2-CD1 3.87Å; Y60-L140 HydrophobicContact CD2-CD2 4.05Å; Y60-L140 HydrophobicContact CD2-CG 4.21Å; Y60-L140 HydrophobicContact CE2-CD1 3.64Å; Y60-L140 HydrophobicContact CE2-CD2 4.33Å; Y60-L140 HydrophobicContact CE2-CG 4.43Å; P81-L140 HydrophobicContact CG-CD1 3.84Å; H138-L140 PolarHBondContact O-N 3.22Å
141D95.9Very high95.1Very high51 Ų5131.1 Ų31.127%0.27316%0.161SC..EExtended strand (participates in β ladder)trans-164.6170.6-179.5-146.7-10000110.3I58 K104I58-D141 HydrophobicContact CB-CB 4.48Å; I58-D141 WeakPolarHBondContact CB-O 3.13Å; I58-D141 HydrophobicContact CD1-CB 3.93Å; I58-D141 HydrophobicContact CG1-CB 4.22Å; I58-D141 PolarHBondContact N-O 3.06Å; I58-D141 PolarHBondContact O-N 3.24Å; K104-D141 VanDerWaalsContact CD-OD1 3.3Å; K104-D141 WeakPolarHBondContact CD-OD1 3.48Å; K104-D141 WeakPolarHBondContact CE-OD1 3.43Å; K104-D141 IonicContact NZ-OD1 2.82Å; K104-D141 PolarHBondContact NZ-OD1 3.37Å; K104-D141 IonicContact NZ-OD2 2.84Å; K104-D141 PolarHBondContact NZ-OD2 2.71Å
142Y96.2Very high94.8Very high39 Ų3933.7 Ų33.715%0.15317%0.171CC..EExtended strand (participates in β ladder)trans-147.4156.3168.861.8-89.6000110.7P49 V51 P52 S56 K104P49-Y142 WeakPolarHBondContact CG-OH 3.47Å; P49-Y142 PolarHBondContact O-OH 3.24Å; P49-Y142 VanDerWaalsContact O-OH 3.13Å; V51-Y142 HydrophobicContact CG1-CG 4.41Å; V51-Y142 HydrophobicContact CG2-CD1 3.77Å; V51-Y142 HydrophobicContact CG2-CE1 4.21Å; V51-Y142 HydrophobicContact CG2-CG 4.14Å; P52-Y142 VanDerWaalsContact CD-CD2 3.5Å; P52-Y142 HydrophobicContact CG-CD2 4.23Å; P52-Y142 HydrophobicContact CG-CE2 4.08Å; S56-Y142 CarbonylContact O-C 3.53Å; S56-Y142 VanDerWaalsContact O-CA 3.32Å; S56-Y142 WeakPolarHBondContact O-CA 3.4Å; K104-Y142 HydrophobicContact CB-CD1 4.47Å; K104-Y142 HydrophobicContact CB-CE1 4.06Å
143L94.5Very high94.5Very high21 Ų2137.2 Ų37.211%0.1120%0.195CC..EExtended strand (participates in β ladder)trans-121.9133.2172.1-63.5-179.8000108.7S56 M83 S145 T173 F177S56-L143 PolarHBondContact N-O 2.91Å; S56-L143 PolarHBondContact O-N 3.17Å; M83-L143 HydrophobicContact CE-CB 3.83Å; M83-L143 HydrophobicContact CE-CD1 3.49Å; M83-L143 VanDerWaalsContact CE-CD1 3.49Å; M83-L143 HydrophobicContact CE-CG 3.45Å; M83-L143 VanDerWaalsContact CE-CG 3.45Å; M83-L143 HydrophobicContact SD-CD1 4.24Å; L143-S145 PolarHBondContact O-N 3.26Å; L143-T173 HydrophobicContact CB-CG2 3.99Å; L143-F177 HydrophobicContact CB-CE1 4.48Å; L143-F177 HydrophobicContact CB-CE2 3.98Å; L143-F177 HydrophobicContact CB-CZ 3.91Å; L143-F177 HydrophobicContact CD1-CB 4.29Å; L143-F177 HydrophobicContact CD1-CD1 3.55Å; L143-F177 HydrophobicContact CD1-CD2 3.71Å; L143-F177 HydrophobicContact CD1-CE1 3.73Å; L143-F177 HydrophobicContact CD1-CE2 3.85Å; L143-F177 HydrophobicContact CD1-CG 3.54Å; L143-F177 HydrophobicContact CD1-CZ 3.85Å
144D92.4Very high94.2Very high48 Ų4840 Ų4026%0.25721%0.208SC..  trans-7273.8175.6-174-3.6000110.4P52 G146 Q147 T173P52-D144 HydrophobicContact CG-CB 4.21Å; D144-G146 VanDerWaalsContact C-N 3.32Å; D144-Q147 WeakPolarHBondContact OD1-CB 3.34Å; D144-Q147 PolarHBondContact OD1-N 3.18Å; D144-Q147 VanDerWaalsContact OD1-N 3.16Å; D144-T173 WeakPolarHBondContact O-CG2 3.43Å
145S91.4Very high93.8Very high4 Ų441.3 Ų41.33%0.02822%0.219CC..Hα-helixtrans-76-22.4179.657.70000112.6N54 S56 K85 L143 Q147 V148 D149N54-S145 PolarHBondContact O-OG 3.43Å; N54-S145 VanDerWaalsContact O-OG 3.07Å; S56-S145 WeakPolarHBondContact CB-OG 3.36Å; S56-S145 PolarHBondContact N-OG 3.07Å; S56-S145 VanDerWaalsContact N-OG 3.11Å; S56-S145 WeakPolarHBondContact OG-CB 3.46Å; S56-S145 PolarHBondContact OG-OG 2.91Å; K85-S145 VanDerWaalsContact CD-OG 3.3Å; K85-S145 WeakPolarHBondContact CD-OG 3.29Å; K85-S145 VanDerWaalsContact NZ-C 3.28Å; K85-S145 PolarHBondContact NZ-O 2.99Å; K85-S145 PolarHBondContact NZ-OG 3.04Å; L143-S145 PolarHBondContact O-N 3.26Å; S145-Q147 VanDerWaalsContact C-N 3.34Å; S145-V148 PolarHBondContact O-N 3.12Å; S145-V148 VanDerWaalsContact O-N 3.15Å; S145-D149 PolarHBondContact O-N 3.27Å
146G90.5Very high93.2Very high3 Ų345.1 Ų45.13%0.03125%0.246CC..Hα-helixtrans-55.5-51172.300000110.9N54 D144 V148 D149 E150N54-G146 PolarHBondContact O-N 3.13Å; N54-G146 VanDerWaalsContact O-N 3.09Å; D144-G146 VanDerWaalsContact C-N 3.32Å; G146-V148 PolarHBondContact O-N 3.47Å; G146-D149 PolarHBondContact O-N 3.32Å; G146-E150 WeakPolarHBondContact O-CB 3.03Å; G146-E150 WeakPolarHBondContact O-CG 3.24Å; G146-E150 PolarHBondContact O-N 2.9Å
147Q90.1Very high92.6Very high49 Ų4949.9 Ų49.923%0.22927%0.268CS..Hα-helixtrans-60.1-33176.7-173.6178.5100.100113.3D144 S145 F151 K169 V170D144-Q147 WeakPolarHBondContact OD1-CB 3.34Å; D144-Q147 PolarHBondContact OD1-N 3.18Å; D144-Q147 VanDerWaalsContact OD1-N 3.16Å; S145-Q147 VanDerWaalsContact C-N 3.34Å; Q147-F151 VanDerWaalsContact O-CB 3.24Å; Q147-F151 WeakPolarHBondContact O-CB 3.45Å; Q147-F151 PolarHBondContact O-N 2.93Å; Q147-F151 VanDerWaalsContact O-N 3.08Å; Q147-K169 VanDerWaalsContact OE1-CB 3.27Å; Q147-V170 HydrophobicContact CG-CG2 3.95Å
148V92.3Very high92.2Very high6 Ų654.6 Ų54.64%0.03629%0.291CS..Hα-helixtrans-71.5-45.6177.3177.50000110.8S145 G146 F151 I152 V170 T173 L174S145-V148 PolarHBondContact O-N 3.12Å; S145-V148 VanDerWaalsContact O-N 3.15Å; G146-V148 PolarHBondContact O-N 3.47Å; V148-F151 PolarHBondContact O-N 2.97Å; V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.49Å; V148-I152 WeakPolarHBondContact O-CD1 3.32Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.31Å; V148-I152 PolarHBondContact O-N 3.23Å; V148-V170 HydrophobicContact CG1-CG1 4.44Å; V148-V170 HydrophobicContact CG2-CG1 4.19Å; V148-T173 HydrophobicContact CG2-CG2 3.65Å; V148-L174 HydrophobicContact CG1-CD1 4.46Å; V148-L174 HydrophobicContact CG1-CD2 3.73Å; V148-L174 HydrophobicContact CG1-CG 3.99Å
149D91.6Very high91.6Very high84 Ų8453.5 Ų53.545%0.44929%0.285SS..Hα-helixtrans-65.1-46.5-178.7-64.6-24.5000110.7K85 S145 G146 F151 I152 S153K85-D149 WeakPolarHBondContact CE-OD2 3.46Å; K85-D149 IonicContact NZ-OD2 3.01Å; K85-D149 PolarHBondContact NZ-OD2 3Å; S145-D149 PolarHBondContact O-N 3.27Å; G146-D149 PolarHBondContact O-N 3.32Å; D149-F151 VanDerWaalsContact C-N 3.29Å; D149-F151 PolarHBondContact O-N 3.02Å; D149-I152 PolarHBondContact O-N 3.39Å; D149-S153 WeakPolarHBondContact O-CB 3.49Å; D149-S153 PolarHBondContact O-N 2.95Å; D149-S153 PolarHBondContact O-OG 3.42Å
150E91.4Very high91Very high117 Ų11756.2 Ų56.255%0.54731%0.305SS..Hα-helixtrans-55.1-47172-74171.5-163.100110.6G146 I152 S153 M154G146-E150 WeakPolarHBondContact O-CB 3.03Å; G146-E150 WeakPolarHBondContact O-CG 3.24Å; G146-E150 PolarHBondContact O-N 2.9Å; E150-I152 PolarHBondContact O-N 3.08Å; E150-S153 WeakPolarHBondContact CA-OG 3.33Å; E150-S153 PolarHBondContact O-N 2.96Å; E150-S153 PolarHBondContact O-OG 3.41Å; E150-M154 PolarHBondContact O-N 3.3Å
151F91.9Very high90.5Very high9 Ų958 Ų584%0.03932%0.321CS..Hα-helixtrans-61.2-43.7-179.8-170.9-84.1000113.7Q147 V148 D149 S153 M154 Q159 V162 L167 V170 L200Q147-F151 VanDerWaalsContact O-CB 3.24Å; Q147-F151 WeakPolarHBondContact O-CB 3.45Å; Q147-F151 PolarHBondContact O-N 2.93Å; Q147-F151 VanDerWaalsContact O-N 3.08Å; V148-F151 PolarHBondContact O-N 2.97Å; D149-F151 VanDerWaalsContact C-N 3.29Å; D149-F151 PolarHBondContact O-N 3.02Å; F151-S153 VanDerWaalsContact C-N 3.3Å; F151-S153 PolarHBondContact O-N 3.46Å; F151-M154 VanDerWaalsContact CA-CE 3.46Å; F151-M154 HydrophobicContact CB-CE 4.05Å; F151-M154 HydrophobicContact CD2-CE 3.46Å; F151-M154 VanDerWaalsContact CD2-CE 3.46Å; F151-M154 HydrophobicContact CE2-CE 4.1Å; F151-M154 HydrophobicContact CG-CE 3.97Å; F151-M154 PolarHBondContact O-N 3.35Å; F151-Q159 HydrophobicContact CD1-CG 4.35Å; F151-Q159 HydrophobicContact CE1-CB 4.23Å; F151-Q159 HydrophobicContact CE1-CG 3.81Å; F151-Q159 HydrophobicContact CE2-CB 4.49Å; F151-Q159 HydrophobicContact CE2-CG 4.4Å; F151-Q159 HydrophobicContact CZ-CB 3.84Å; F151-Q159 HydrophobicContact CZ-CG 3.83Å; F151-Q159 PolarHBondContact O-NE2 3.32Å; F151-V162 HydrophobicContact CE2-CB 4.1Å; F151-V162 HydrophobicContact CE2-CG1 4.02Å; F151-V162 HydrophobicContact CE2-CG2 4.09Å; F151-L167 HydrophobicContact CE1-CD1 3.95Å; F151-L167 HydrophobicContact CE2-CD1 4.19Å; F151-L167 HydrophobicContact CZ-CD1 3.64Å; F151-V170 HydrophobicContact CB-CG1 4.19Å; F151-V170 HydrophobicContact CB-CG2 3.88Å; F151-V170 HydrophobicContact CD1-CG1 4.17Å; F151-V170 HydrophobicContact CD2-CG2 4.11Å; F151-V170 HydrophobicContact CG-CG1 4.16Å; F151-V170 HydrophobicContact CG-CG2 3.98Å; F151-L200 HydrophobicContact CD1-CD1 4.12Å; F151-L200 HydrophobicContact CE1-CD1 4.14Å; F151-L200 HydrophobicContact CE1-CD2 4.13Å
152I90.4Very high90.2Very high70 Ų7056.5 Ų56.536%0.35931%0.314SS..Hα-helixtrans-70.9-29.5-179.7-67.1162.6000111.4V148 D149 E150 M154V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.49Å; V148-I152 WeakPolarHBondContact O-CD1 3.32Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.31Å; V148-I152 PolarHBondContact O-N 3.23Å; D149-I152 PolarHBondContact O-N 3.39Å; E150-I152 PolarHBondContact O-N 3.08Å; I152-M154 VanDerWaalsContact C-N 3.31Å
153S91.7Very high89.9Confident99 Ų9958.3 Ų58.369%0.69233%0.331SS*.Hα-helixtrans-74.2-18.717970.70000114.4D149 E150 F151D149-S153 WeakPolarHBondContact O-CB 3.49Å; D149-S153 PolarHBondContact O-N 2.95Å; D149-S153 PolarHBondContact O-OG 3.42Å; E150-S153 WeakPolarHBondContact CA-OG 3.33Å; E150-S153 PolarHBondContact O-N 2.96Å; E150-S153 PolarHBondContact O-OG 3.41Å; F151-S153 VanDerWaalsContact C-N 3.3Å; F151-S153 PolarHBondContact O-N 3.46Å
154M91.2Very high89.6Confident58 Ų5858.3 Ų58.329%0.28633%0.331SS..SBendtrans-68.9156177.7-75.1-169.8-83.500112.6E150 F151 I152 E158 Q159 V162E150-M154 PolarHBondContact O-N 3.3Å; F151-M154 VanDerWaalsContact CA-CE 3.46Å; F151-M154 HydrophobicContact CB-CE 4.05Å; F151-M154 HydrophobicContact CD2-CE 3.46Å; F151-M154 VanDerWaalsContact CD2-CE 3.46Å; F151-M154 HydrophobicContact CE2-CE 4.1Å; F151-M154 HydrophobicContact CG-CE 3.97Å; F151-M154 PolarHBondContact O-N 3.35Å; I152-M154 VanDerWaalsContact C-N 3.31Å; M154-E158 WeakPolarHBondContact CA-OE2 3.38Å; M154-E158 HydrophobicContact CB-CB 3.97Å; M154-E158 HydrophobicContact CG-CB 4.35Å; M154-E158 HydrophobicContact SD-CB 4.12Å; M154-Q159 HydrophobicContact CB-CG 3.93Å; M154-Q159 PolarHBondContact O-NE2 3.17Å; M154-V162 HydrophobicContact CE-CG2 3.89Å; M154-V162 HydrophobicContact SD-CG2 4.23Å
155S90.7Very high89.5Confident46 Ų4659.9 Ų59.932%0.32235%0.346SS..  trans-67.4162.9172.897.10000112E157 E158 Q159S155-E157 VanDerWaalsContact C-N 3.26Å; S155-E157 WeakPolarHBondContact CB-OE2 3.21Å; S155-E157 PolarHBondContact O-N 3.43Å; S155-E157 PolarHBondContact OG-N 3.37Å; S155-E157 PolarHBondContact OG-OE2 3.44Å; S155-E158 PolarHBondContact N-OE2 2.81Å; S155-E158 PolarHBondContact O-N 3.13Å; S155-E158 PolarHBondContact OG-N 2.66Å; S155-Q159 WeakPolarHBondContact O-CB 3.41Å; S155-Q159 VanDerWaalsContact O-CG 3.29Å; S155-Q159 WeakPolarHBondContact O-CG 3.3Å; S155-Q159 PolarHBondContact O-N 2.93Å
156S85.9Confident89.6Confident83 Ų8361.9 Ų61.958%0.5836%0.358SS*.Hα-helixtrans-60.3-35.6177.7-61.50000112.8S160S156-S160 WeakPolarHBondContact O-CB 3.37Å; S156-S160 PolarHBondContact O-N 2.99Å; S156-S160 VanDerWaalsContact O-N 3.09Å; S156-S160 PolarHBondContact O-OG 3.27Å
157E85.4Confident89.6Confident143 Ų14361.9 Ų61.967%0.66836%0.357SS*.Hα-helixtrans-68.4-45.3177.4-58.274.4-160.700111S155 S160 S161S155-E157 VanDerWaalsContact C-N 3.26Å; S155-E157 WeakPolarHBondContact CB-OE2 3.21Å; S155-E157 PolarHBondContact O-N 3.43Å; S155-E157 PolarHBondContact OG-N 3.37Å; S155-E157 PolarHBondContact OG-OE2 3.44Å; E157-S160 WeakPolarHBondContact O-CB 3.27Å; E157-S160 PolarHBondContact O-N 2.93Å; E157-S161 PolarHBondContact O-N 3.5Å
158E88.8Confident89.7Confident100 Ų10061.5 Ų61.547%0.46736%0.358SS..Hα-helixtrans-62.6-49.2176.9-68.8175.7144.600110.7M154 S155 S160 S161 V162M154-E158 WeakPolarHBondContact CA-OE2 3.38Å; M154-E158 HydrophobicContact CB-CB 3.97Å; M154-E158 HydrophobicContact CG-CB 4.35Å; M154-E158 HydrophobicContact SD-CB 4.12Å; S155-E158 PolarHBondContact N-OE2 2.81Å; S155-E158 PolarHBondContact O-N 3.13Å; S155-E158 PolarHBondContact OG-N 2.66Å; E158-S160 PolarHBondContact O-N 3.07Å; E158-S160 VanDerWaalsContact O-N 3.16Å; E158-S161 WeakPolarHBondContact O-CB 3.45Å; E158-S161 PolarHBondContact O-N 3.5Å; E158-S161 PolarHBondContact O-OG 2.97Å; E158-V162 WeakPolarHBondContact O-CG2 3.12Å; E158-V162 PolarHBondContact O-N 3.31Å
159Q87.4Confident89.8Confident36 Ų3667.1 Ų67.117%0.16838%0.382CS..Hα-helixtrans-55.6-34.4175.1-72.2179.329.900112.3F151 M154 S155 R204F151-Q159 HydrophobicContact CD1-CG 4.35Å; F151-Q159 HydrophobicContact CE1-CB 4.23Å; F151-Q159 HydrophobicContact CE1-CG 3.81Å; F151-Q159 HydrophobicContact CE2-CB 4.49Å; F151-Q159 HydrophobicContact CE2-CG 4.4Å; F151-Q159 HydrophobicContact CZ-CB 3.84Å; F151-Q159 HydrophobicContact CZ-CG 3.83Å; F151-Q159 PolarHBondContact O-NE2 3.32Å; M154-Q159 HydrophobicContact CB-CG 3.93Å; M154-Q159 PolarHBondContact O-NE2 3.17Å; S155-Q159 WeakPolarHBondContact O-CB 3.41Å; S155-Q159 VanDerWaalsContact O-CG 3.29Å; S155-Q159 WeakPolarHBondContact O-CG 3.3Å; S155-Q159 PolarHBondContact O-N 2.93Å; Q159-R204 PolarHBondContact O-NH1 2.92Å
160S85.1Confident89.9Confident58 Ų5863.1 Ų63.141%0.40636%0.36SS..Hα-helixtrans-77.1-20.6177.9-61.50000113.5S156 E157 E158 R204S156-S160 WeakPolarHBondContact O-CB 3.37Å; S156-S160 PolarHBondContact O-N 2.99Å; S156-S160 VanDerWaalsContact O-N 3.09Å; S156-S160 PolarHBondContact O-OG 3.27Å; E157-S160 WeakPolarHBondContact O-CB 3.27Å; E157-S160 PolarHBondContact O-N 2.93Å; E158-S160 PolarHBondContact O-N 3.07Å; E158-S160 VanDerWaalsContact O-N 3.16Å; S160-R204 VanDerWaalsContact C-NH1 3.33Å; S160-R204 PolarHBondContact O-NH1 3.49Å; S160-R204 VanDerWaalsContact O-NH1 3.15Å; S160-R204 PolarHBondContact O-NH2 2.75Å
161S86.1Confident90.1Very high93 Ų9357.7 Ų57.765%0.6534%0.335SS*.Hα-helixtrans-85.2-26176.975.90000113.2E157 E158E157-S161 PolarHBondContact O-N 3.5Å; E158-S161 WeakPolarHBondContact O-CB 3.45Å; E158-S161 PolarHBondContact O-N 3.5Å; E158-S161 PolarHBondContact O-OG 2.97Å
162V88.6Confident90.3Very high20 Ų2060.2 Ų60.212%0.12135%0.349CS..SBendtrans-58.5138.6-178171.40000111F151 M154 E158 T166 R204F151-V162 HydrophobicContact CE2-CB 4.1Å; F151-V162 HydrophobicContact CE2-CG1 4.02Å; F151-V162 HydrophobicContact CE2-CG2 4.09Å; M154-V162 HydrophobicContact CE-CG2 3.89Å; M154-V162 HydrophobicContact SD-CG2 4.23Å; E158-V162 WeakPolarHBondContact O-CG2 3.12Å; E158-V162 PolarHBondContact O-N 3.31Å; V162-T166 HydrophobicContact CG1-CG2 3.72Å; V162-R204 PolarHBondContact O-NH1 3.15Å; V162-R204 PolarHBondContact O-NH2 3.39Å
163P90.6Very high90.5Very high78 Ų7857.8 Ų57.851%0.50634%0.338SS..  trans-56.9141.5175.7-26.935.3000113.1S165 T166 L167P163-S165 PolarHBondContact O-N 3.01Å; P163-S165 VanDerWaalsContact O-N 3.14Å; P163-T166 WeakPolarHBondContact O-CB 3.44Å; P163-T166 PolarHBondContact O-N 2.96Å; P163-L167 PolarHBondContact O-N 2.83Å; P163-L167 VanDerWaalsContact O-N 3.13Å
164L88.6Confident90.8Very high20 Ų2053.1 Ų53.111%0.10531%0.305CS..Hα-helixtrans-57.1-33.2179.3-178.460.2000112.4T166 L167 V168 D211 K214 I215L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.46Å; L164-L167 HydrophobicContact CD1-CD2 4.19Å; L164-L167 PolarHBondContact O-N 3.27Å; L164-V168 HydrophobicContact CD1-CG2 4.31Å; L164-V168 HydrophobicContact CG-CG2 4.35Å; L164-V168 WeakPolarHBondContact O-CB 3.41Å; L164-V168 VanDerWaalsContact O-CG2 3.25Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.45Å; L164-D211 HydrophobicContact CD2-CB 4.07Å; L164-K214 HydrophobicContact CD2-CB 3.66Å; L164-K214 HydrophobicContact CD2-CD 3.84Å; L164-K214 HydrophobicContact CD2-CG 4.44Å; L164-I215 HydrophobicContact CD1-CG1 4.02Å; L164-I215 HydrophobicContact CD2-CG1 4.37Å
165S90.6Very high91Very high81 Ų8153.4 Ų53.457%0.56630%0.303SS*.Hα-helixtrans-60.9-39.9175.552.90000112.8P163 K169P163-S165 PolarHBondContact O-N 3.01Å; P163-S165 VanDerWaalsContact O-N 3.14Å; S165-K169 PolarHBondContact O-N 3.26Å
166T91.8Very high91.3Very high47 Ų4753.1 Ų53.129%0.28830%0.301SS..Hα-helixtrans-70-43.9175.8-57.90000110.8V162 P163 L164 V168 K169 V170V162-T166 HydrophobicContact CG1-CG2 3.72Å; P163-T166 WeakPolarHBondContact O-CB 3.44Å; P163-T166 PolarHBondContact O-N 2.96Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.46Å; T166-V168 VanDerWaalsContact C-N 3.31Å; T166-V168 PolarHBondContact O-N 2.86Å; T166-K169 WeakPolarHBondContact O-CB 3.37Å; T166-K169 PolarHBondContact O-N 2.88Å; T166-K169 VanDerWaalsContact O-N 3.08Å; T166-V170 PolarHBondContact O-N 3.43Å
167L92.1Very high91.8Very high2 Ų249.8 Ų49.81%0.0128%0.276CS..Hα-helixtrans-56.8-46.4173.5175.157.3000110.8F151 P163 L164 K169 V170 I171 L200 L201 R204F151-L167 HydrophobicContact CE1-CD1 3.95Å; F151-L167 HydrophobicContact CE2-CD1 4.19Å; F151-L167 HydrophobicContact CZ-CD1 3.64Å; P163-L167 PolarHBondContact O-N 2.83Å; P163-L167 VanDerWaalsContact O-N 3.13Å; L164-L167 HydrophobicContact CD1-CD2 4.19Å; L164-L167 PolarHBondContact O-N 3.27Å; L167-K169 PolarHBondContact O-N 3.37Å; L167-V170 WeakPolarHBondContact O-CB 3.48Å; L167-V170 PolarHBondContact O-N 3.04Å; L167-I171 HydrophobicContact CD1-CD1 4.11Å; L167-I171 HydrophobicContact CD1-CG1 4.07Å; L167-I171 HydrophobicContact CG-CG1 4.25Å; L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.31Å; L167-I171 PolarHBondContact O-N 2.91Å; L167-L200 HydrophobicContact CD1-CB 4.26Å; L167-L201 HydrophobicContact CD2-CD2 4.33Å; L167-L201 HydrophobicContact CG-CD2 4.47Å; L167-R204 HydrophobicContact CD2-CB 4.35Å; L167-R204 HydrophobicContact CD2-CG 4.33Å
168V92.4Very high92.3Very high41 Ų4143 Ų4325%0.24824%0.244CC..Hα-helixtrans-58.5-32.7177.8168.10000112.4L164 T166 N172 A218L164-V168 HydrophobicContact CD1-CG2 4.31Å; L164-V168 HydrophobicContact CG-CG2 4.35Å; L164-V168 WeakPolarHBondContact O-CB 3.41Å; L164-V168 VanDerWaalsContact O-CG2 3.25Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.45Å; T166-V168 VanDerWaalsContact C-N 3.31Å; T166-V168 PolarHBondContact O-N 2.86Å; V168-N172 WeakPolarHBondContact O-CB 3.47Å; V168-N172 PolarHBondContact O-N 3.22Å; V168-N172 PolarHBondContact O-ND2 3.38Å; V168-A218 HydrophobicContact CG2-CB 4.47Å
169K93.4Very high92.7Very high124 Ų12440.4 Ų40.454%0.53923%0.233SC..Hα-helixtrans-64.7-49.8172.2-67.9175.9-178.71800111.4Q147 S165 T166 L167 I171 N172 T173Q147-K169 VanDerWaalsContact OE1-CB 3.27Å; S165-K169 PolarHBondContact O-N 3.26Å; T166-K169 WeakPolarHBondContact O-CB 3.37Å; T166-K169 PolarHBondContact O-N 2.88Å; T166-K169 VanDerWaalsContact O-N 3.08Å; L167-K169 PolarHBondContact O-N 3.37Å; K169-I171 VanDerWaalsContact C-N 3.29Å; K169-I171 PolarHBondContact O-N 3.38Å; K169-N172 PolarHBondContact O-N 2.97Å; K169-N172 VanDerWaalsContact O-N 3.09Å; K169-T173 PolarHBondContact O-N 3.33Å; K169-T173 PolarHBondContact O-OG1 2.84Å
170V94.8Very high93.1Very high0 Ų040.5 Ų40.50%023%0.232CC..Hα-helixtrans-54-46.4174.9173.30000111.2Q147 V148 F151 T166 L167 N172 T173 L174 L200Q147-V170 HydrophobicContact CG-CG2 3.95Å; V148-V170 HydrophobicContact CG1-CG1 4.44Å; V148-V170 HydrophobicContact CG2-CG1 4.19Å; F151-V170 HydrophobicContact CB-CG1 4.19Å; F151-V170 HydrophobicContact CB-CG2 3.88Å; F151-V170 HydrophobicContact CD1-CG1 4.17Å; F151-V170 HydrophobicContact CD2-CG2 4.11Å; F151-V170 HydrophobicContact CG-CG1 4.16Å; F151-V170 HydrophobicContact CG-CG2 3.98Å; T166-V170 PolarHBondContact O-N 3.43Å; L167-V170 WeakPolarHBondContact O-CB 3.48Å; L167-V170 PolarHBondContact O-N 3.04Å; V170-N172 PolarHBondContact O-N 3.45Å; V170-T173 PolarHBondContact O-N 3.14Å; V170-L174 HydrophobicContact CG1-CD1 4.35Å; V170-L174 PolarHBondContact O-N 2.96Å; V170-L200 HydrophobicContact CG1-CD1 4.16Å
171I95.2Very high93.5Very high3 Ų339.1 Ų39.12%0.01522%0.219CC..Hα-helixtrans-60.6-45.2177-64.9-50.6000112L167 K169 T173 L174 R175 A197 L200 L201 L222L167-I171 HydrophobicContact CD1-CD1 4.11Å; L167-I171 HydrophobicContact CD1-CG1 4.07Å; L167-I171 HydrophobicContact CG-CG1 4.25Å; L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.31Å; L167-I171 PolarHBondContact O-N 2.91Å; K169-I171 VanDerWaalsContact C-N 3.29Å; K169-I171 PolarHBondContact O-N 3.38Å; I171-T173 VanDerWaalsContact C-N 3.3Å; I171-T173 PolarHBondContact O-N 3.34Å; I171-L174 PolarHBondContact O-N 2.85Å; I171-R175 WeakPolarHBondContact O-CB 3.08Å; I171-R175 PolarHBondContact O-N 2.72Å; I171-A197 HydrophobicContact CD1-CB 4.09Å; I171-A197 WeakPolarHBondContact CD1-O 3.32Å; I171-A197 HydrophobicContact CG2-CB 4.27Å; I171-L200 HydrophobicContact CD1-CB 3.81Å; I171-L200 HydrophobicContact CD1-CD1 4.35Å; I171-L201 HydrophobicContact CD1-CD1 4.42Å; I171-L201 HydrophobicContact CD1-CG 3.86Å; I171-L201 HydrophobicContact CG1-CD1 4.14Å; I171-L201 HydrophobicContact CG1-CD2 3.98Å; I171-L201 HydrophobicContact CG1-CG 3.72Å; I171-L201 HydrophobicContact CG2-CD1 3.88Å; I171-L201 HydrophobicContact CG2-CG 4.41Å; I171-L222 HydrophobicContact CG2-CD1 4.04Å
172N95.5Very high94.1Very high63 Ų6336.3 Ų36.334%0.33720%0.195SC..Hα-helixtrans-65.6-35.9179-82.1-44.7000111.9V168 K169 V170 R175 S176V168-N172 WeakPolarHBondContact O-CB 3.47Å; V168-N172 PolarHBondContact O-N 3.22Å; V168-N172 PolarHBondContact O-ND2 3.38Å; K169-N172 PolarHBondContact O-N 2.97Å; K169-N172 VanDerWaalsContact O-N 3.09Å; V170-N172 PolarHBondContact O-N 3.45Å; N172-R175 PolarHBondContact O-N 3.24Å; N172-R175 PolarHBondContact OD1-NE 2.79Å; N172-S176 WeakPolarHBondContact O-CB 3.4Å; N172-S176 PolarHBondContact O-N 2.85Å; N172-S176 PolarHBondContact O-OG 3.35Å
173T95.4Very high94.4Very high18 Ų1841 Ų4111%0.1122%0.22CC..Hα-helixtrans-63.9-49.2172.7-55.40000110.9L143 D144 V148 K169 V170 I171 R175 S176 F177L143-T173 HydrophobicContact CB-CG2 3.99Å; D144-T173 WeakPolarHBondContact O-CG2 3.43Å; V148-T173 HydrophobicContact CG2-CG2 3.65Å; K169-T173 PolarHBondContact O-N 3.33Å; K169-T173 PolarHBondContact O-OG1 2.84Å; V170-T173 PolarHBondContact O-N 3.14Å; I171-T173 VanDerWaalsContact C-N 3.3Å; I171-T173 PolarHBondContact O-N 3.34Å; T173-R175 VanDerWaalsContact C-N 3.33Å; T173-R175 PolarHBondContact O-N 3.3Å; T173-S176 WeakPolarHBondContact O-CB 3.5Å; T173-S176 PolarHBondContact O-N 3.15Å; T173-F177 HydrophobicContact CG2-CD2 4.11Å; T173-F177 HydrophobicContact CG2-CE2 3.81Å; T173-F177 VanDerWaalsContact O-CD2 3.27Å; T173-F177 WeakPolarHBondContact O-CD2 3.45Å; T173-F177 PolarHBondContact O-N 3.2Å
174L96.4Very high94.5Very high1 Ų139.1 Ų39.11%0.00520%0.204CC..Hα-helixtrans-59-41.6175.3-75.5173000112.6V148 V170 I171 S176 F177 G178 Q196 A197 L200V148-L174 HydrophobicContact CG1-CD1 4.46Å; V148-L174 HydrophobicContact CG1-CD2 3.73Å; V148-L174 HydrophobicContact CG1-CG 3.99Å; V170-L174 HydrophobicContact CG1-CD1 4.35Å; V170-L174 PolarHBondContact O-N 2.96Å; I171-L174 PolarHBondContact O-N 2.85Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 2.68Å; L174-F177 WeakPolarHBondContact O-CB 3.4Å; L174-F177 PolarHBondContact O-N 2.83Å; L174-G178 PolarHBondContact O-N 3.39Å; L174-Q196 HydrophobicContact CD1-CG 4.13Å; L174-Q196 HydrophobicContact CD2-CG 4.45Å; L174-Q196 VanDerWaalsContact CD2-OE1 3.3Å; L174-A197 HydrophobicContact CB-CB 3.83Å; L174-A197 HydrophobicContact CD1-CB 4.11Å; L174-L200 HydrophobicContact CD1-CD1 3.74Å
175R97.3Very high94.9Very high65 Ų6541.9 Ų41.925%0.24523%0.225CC..Hα-helixtrans-61.5-39.5174.1-173.1178.268.186.82.6111.3I171 N172 T173 G178 N179 Y194 L222I171-R175 WeakPolarHBondContact O-CB 3.08Å; I171-R175 PolarHBondContact O-N 2.72Å; N172-R175 PolarHBondContact O-N 3.24Å; N172-R175 PolarHBondContact OD1-NE 2.79Å; T173-R175 VanDerWaalsContact C-N 3.33Å; T173-R175 PolarHBondContact O-N 3.3Å; R175-G178 PolarHBondContact O-N 2.86Å; R175-N179 VanDerWaalsContact O-CG 3.25Å; R175-N179 PolarHBondContact O-N 3.46Å; R175-N179 PolarHBondContact O-OD1 3.24Å; R175-Y194 HydrophobicContact CG-CD1 4.34Å; R175-Y194 HydrophobicContact CG-CE1 4.11Å; R175-Y194 WeakPolarHBondContact O-CE1 3.12Å; R175-L222 HydrophobicContact CB-CD2 3.96Å; R175-L222 HydrophobicContact CG-CD2 3.92Å
176S96.6Very high95.1Very high40 Ų4043.5 Ų43.528%0.2822%0.219SC..Hα-helixtrans-67.8-38.2178.4-58.20000112N172 T173 L174 G178 N179 R180N172-S176 WeakPolarHBondContact O-CB 3.4Å; N172-S176 PolarHBondContact O-N 2.85Å; N172-S176 PolarHBondContact O-OG 3.35Å; T173-S176 WeakPolarHBondContact O-CB 3.5Å; T173-S176 PolarHBondContact O-N 3.15Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-S176 PolarHBondContact O-N 2.68Å; S176-G178 VanDerWaalsContact C-N 3.34Å; S176-G178 PolarHBondContact O-N 2.84Å; S176-N179 PolarHBondContact O-N 2.84Å; S176-R180 PolarHBondContact O-N 2.66Å
177F95.5Very high95.4Very high13 Ų1343.9 Ų43.96%0.05722%0.215CC..Hα-helixtrans-57.5-46.7167.5-81.3-71.9000111.9M83 L143 T173 L174 R180 F181 R193M83-F177 HydrophobicContact CE-CE1 4.18Å; M83-F177 HydrophobicContact SD-CD1 3.88Å; M83-F177 HydrophobicContact SD-CE1 3.28Å; M83-F177 WeakPolarHBondContact SD-CE1 3.38Å; M83-F177 HydrophobicContact SD-CZ 4.15Å; L143-F177 HydrophobicContact CB-CE1 4.48Å; L143-F177 HydrophobicContact CB-CE2 3.98Å; L143-F177 HydrophobicContact CB-CZ 3.91Å; L143-F177 HydrophobicContact CD1-CB 4.29Å; L143-F177 HydrophobicContact CD1-CD1 3.55Å; L143-F177 HydrophobicContact CD1-CD2 3.71Å; L143-F177 HydrophobicContact CD1-CE1 3.73Å; L143-F177 HydrophobicContact CD1-CE2 3.85Å; L143-F177 HydrophobicContact CD1-CG 3.54Å; L143-F177 HydrophobicContact CD1-CZ 3.85Å; T173-F177 HydrophobicContact CG2-CD2 4.11Å; T173-F177 HydrophobicContact CG2-CE2 3.81Å; T173-F177 VanDerWaalsContact O-CD2 3.27Å; T173-F177 WeakPolarHBondContact O-CD2 3.45Å; T173-F177 PolarHBondContact O-N 3.2Å; L174-F177 WeakPolarHBondContact O-CB 3.4Å; L174-F177 PolarHBondContact O-N 2.83Å; F177-R180 PolarHBondContact O-N 3.22Å; F177-F181 WeakPolarHBondContact O-CD2 3.3Å; F177-F181 PolarHBondContact O-N 3.47Å; F177-F181 VanDerWaalsContact O-N 3.1Å; F177-R193 HydrophobicContact CB-CB 4.41Å; F177-R193 HydrophobicContact CB-CG 4.06Å; F177-R193 VanDerWaalsContact CD1-NH1 3.28Å
178G97.1Very high95.7Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-60.3-44.7176.500000112.8L174 R175 S176 R180 F181 F182 A190 Y194L174-G178 PolarHBondContact O-N 3.39Å; R175-G178 PolarHBondContact O-N 2.86Å; S176-G178 VanDerWaalsContact C-N 3.34Å; S176-G178 PolarHBondContact O-N 2.84Å; G178-R180 VanDerWaalsContact C-N 3.29Å; G178-R180 PolarHBondContact O-N 2.87Å; G178-F181 PolarHBondContact O-N 2.82Å; G178-F182 WeakPolarHBondContact O-CB 3.27Å; G178-F182 PolarHBondContact O-N 3.44Å; G178-A190 VanDerWaalsContact O-CB 3.31Å; G178-A190 WeakPolarHBondContact O-CB 3.31Å; G178-Y194 PolarHBondContact O-OH 3.08Å
179N97.1Very high95.9Very high45 Ų4549.7 Ų49.724%0.24124%0.242CC..Hα-helixtrans-60.1-41178.2-69.6-18.8000111.2R175 S176 F182 N183 Y194 N225R175-N179 VanDerWaalsContact O-CG 3.25Å; R175-N179 PolarHBondContact O-N 3.46Å; R175-N179 PolarHBondContact O-OD1 3.24Å; S176-N179 PolarHBondContact O-N 2.84Å; N179-F182 WeakPolarHBondContact O-CB 3.37Å; N179-F182 PolarHBondContact O-N 2.97Å; N179-N183 WeakPolarHBondContact O-CB 3.42Å; N179-N183 VanDerWaalsContact O-CG 3.23Å; N179-N183 PolarHBondContact O-N 3.03Å; N179-N183 PolarHBondContact O-ND2 3.46Å; N179-Y194 VanDerWaalsContact CA-OH 3.23Å; N179-Y194 WeakPolarHBondContact CA-OH 3.42Å; N179-Y194 PolarHBondContact N-OH 3.13Å; N179-Y194 VanDerWaalsContact N-OH 3.08Å; N179-Y194 PolarHBondContact OD1-OH 3.43Å; N179-N225 PolarHBondContact OD1-ND2 3.08Å
180R94.2Very high96.1Very high38 Ų3843.8 Ų43.814%0.14322%0.217CC..Hα-helixtrans-62.5-51.3176.7-179.9-178.1175.4169.33.1111.6P81 M83 S176 F177 G178 F182 N183 Q184P81-R180 PolarHBondContact O-NH2 3.17Å; M83-R180 VanDerWaalsContact CE-NH1 3.33Å; M83-R180 PolarHBondContact SD-NH1 3.49Å; S176-R180 PolarHBondContact O-N 2.66Å; F177-R180 PolarHBondContact O-N 3.22Å; G178-R180 VanDerWaalsContact C-N 3.29Å; G178-R180 PolarHBondContact O-N 2.87Å; R180-F182 PolarHBondContact O-N 3.16Å; R180-N183 PolarHBondContact O-N 3.45Å; R180-N183 VanDerWaalsContact O-N 3.17Å; R180-Q184 WeakPolarHBondContact O-CG 3.22Å; R180-Q184 PolarHBondContact O-N 2.91Å; R180-Q184 VanDerWaalsContact O-N 3.09Å
181F95.4Very high96.3Very high29 Ų2945.3 Ų45.313%0.12722%0.223CC..Hα-helixtrans-58.6-39.4177.4-74.5-55.8000111.3F177 G178 N183 Q184 S185 R186 H189 A190 R193F177-F181 WeakPolarHBondContact O-CD2 3.3Å; F177-F181 PolarHBondContact O-N 3.47Å; F177-F181 VanDerWaalsContact O-N 3.1Å; G178-F181 PolarHBondContact O-N 2.82Å; F181-N183 PolarHBondContact O-N 2.75Å; F181-Q184 CarbonylContact O-C 3.54Å; F181-Q184 PolarHBondContact O-N 3.44Å; F181-S185 PolarHBondContact O-N 3.19Å; F181-R186 HydrophobicContact CB-CB 4.23Å; F181-R186 HydrophobicContact CD1-CB 4.21Å; F181-R186 WeakPolarHBondContact O-CA 3.45Å; F181-R186 WeakPolarHBondContact O-CB 3.46Å; F181-R186 PolarHBondContact O-N 2.82Å; F181-H189 HydrophobicContact CB-CB 4.04Å; F181-H189 HydrophobicContact CD1-CB 3.72Å; F181-H189 HydrophobicContact CD2-CB 3.75Å; F181-H189 HydrophobicContact CE1-CB 4.06Å; F181-H189 HydrophobicContact CE2-CB 4.08Å; F181-H189 HydrophobicContact CG-CB 3.57Å; F181-H189 HydrophobicContact CZ-CB 4.23Å; F181-A190 HydrophobicContact CB-CB 3.87Å; F181-R193 HydrophobicContact CD2-CG 4.02Å; F181-R193 HydrophobicContact CE2-CG 3.99Å
182F97.2Very high96.4Very high35 Ų3549.3 Ų49.315%0.15424%0.244CC..Hα-helixtrans-60.3-46.4176-171.3-83.1000112G178 N179 R180 Q184 S185 Y187 A190 L228 T229 R232G178-F182 WeakPolarHBondContact O-CB 3.27Å; G178-F182 PolarHBondContact O-N 3.44Å; N179-F182 WeakPolarHBondContact O-CB 3.37Å; N179-F182 PolarHBondContact O-N 2.97Å; R180-F182 PolarHBondContact O-N 3.16Å; F182-Q184 PolarHBondContact O-N 3.29Å; F182-S185 PolarHBondContact O-N 3.11Å; F182-Y187 AromaticContact CD2-CD1 3.72Å; F182-Y187 HydrophobicContact CD2-CD1 3.72Å; F182-Y187 AromaticContact CD2-CE1 3.98Å; F182-Y187 HydrophobicContact CD2-CE1 3.98Å; F182-Y187 HydrophobicContact CE1-CE1 4.39Å; F182-Y187 AromaticContact CE2-CD1 3.8Å; F182-Y187 HydrophobicContact CE2-CD1 3.8Å; F182-Y187 AromaticContact CE2-CE1 3.82Å; F182-Y187 HydrophobicContact CE2-CE1 3.82Å; F182-Y187 HydrophobicContact CG-CD1 4.33Å; F182-Y187 HydrophobicContact CG-CE1 4.33Å; F182-Y187 HydrophobicContact CZ-CD1 4.47Å; F182-Y187 HydrophobicContact CZ-CE1 4.03Å; F182-A190 HydrophobicContact CB-CB 3.95Å; F182-L228 HydrophobicContact CE1-CD2 4.12Å; F182-L228 HydrophobicContact CE2-CD2 4.18Å; F182-L228 HydrophobicContact CE2-CG 3.97Å; F182-L228 HydrophobicContact CZ-CD2 3.53Å; F182-L228 HydrophobicContact CZ-CG 3.65Å; F182-T229 HydrophobicContact CD2-CG2 4.48Å; F182-T229 WeakPolarHBondContact CD2-OG1 3.19Å; F182-R232 HydrophobicContact CE2-CG 3.96Å; F182-R232 HydrophobicContact CZ-CG 3.93Å
183N94.5Very high96.5Very high118 Ų11849.9 Ų49.963%0.63124%0.242SC*.Hα-helixtrans-67.4-18.6178.3-69.1-14.6000113.5N179 R180 F181 S185N179-N183 WeakPolarHBondContact O-CB 3.42Å; N179-N183 VanDerWaalsContact O-CG 3.23Å; N179-N183 PolarHBondContact O-N 3.03Å; N179-N183 PolarHBondContact O-ND2 3.46Å; R180-N183 PolarHBondContact O-N 3.45Å; R180-N183 VanDerWaalsContact O-N 3.17Å; F181-N183 PolarHBondContact O-N 2.75Å; N183-S185 VanDerWaalsContact C-N 3.31Å
184Q93.6Very high96.6Very high38 Ų3849.1 Ų49.118%0.17824%0.237CC..THydrogen-bonded Turntrans-91.59.6172.4-65.5177.2-7.200112.5Y80 R180 F181 F182 R186Y80-Q184 HydrophobicContact CD1-CG 4.14Å; Y80-Q184 HydrophobicContact CD2-CG 4.33Å; Y80-Q184 HydrophobicContact CE1-CG 4.44Å; Y80-Q184 HydrophobicContact CG-CG 4.09Å; R180-Q184 WeakPolarHBondContact O-CG 3.22Å; R180-Q184 PolarHBondContact O-N 2.91Å; R180-Q184 VanDerWaalsContact O-N 3.09Å; F181-Q184 CarbonylContact O-C 3.54Å; F181-Q184 PolarHBondContact O-N 3.44Å; F182-Q184 PolarHBondContact O-N 3.29Å; Q184-R186 HydrophobicContact CB-CG 4.26Å; Q184-R186 PolarHBondContact O-N 3.06Å; Q184-R186 VanDerWaalsContact O-N 3.13Å
185S96.2Very high96.6Very high79 Ų7951.8 Ų51.855%0.55225%0.249SC*.THydrogen-bonded Turntrans58.917.9-173.4-53.70000114.5F181 F182 N183 Y187F181-S185 PolarHBondContact O-N 3.19Å; F182-S185 PolarHBondContact O-N 3.11Å; N183-S185 VanDerWaalsContact C-N 3.31Å; S185-Y187 VanDerWaalsContact C-N 3.33Å; S185-Y187 WeakPolarHBondContact O-CD2 3.4Å; S185-Y187 PolarHBondContact O-N 2.85Å
186R95.9Very high96.5Very high114 Ų11452 Ų5243%0.4325%0.252SS..  trans-91.266.5178.1-69.9-18068-174.81.1110F181 Q184 D188 H189 A190F181-R186 HydrophobicContact CB-CB 4.23Å; F181-R186 HydrophobicContact CD1-CB 4.21Å; F181-R186 WeakPolarHBondContact O-CA 3.45Å; F181-R186 WeakPolarHBondContact O-CB 3.46Å; F181-R186 PolarHBondContact O-N 2.82Å; Q184-R186 HydrophobicContact CB-CG 4.26Å; Q184-R186 PolarHBondContact O-N 3.06Å; Q184-R186 VanDerWaalsContact O-N 3.13Å; R186-D188 PolarHBondContact O-N 3.04Å; R186-H189 PolarHBondContact NE-CD2 2.98Å; R186-H189 VanDerWaalsContact NE-CD2 3.29Å; R186-H189 PolarHBondContact NH2-CD2 3.39Å; R186-H189 PolarHBondContact NH2-NE2 3.03Å; R186-H189 PolarHBondContact O-N 3.23Å; R186-A190 PolarHBondContact O-N 3.28Å; R186-A190 VanDerWaalsContact O-N 3.09Å
187Y98Very high96.5Very high55 Ų5550.1 Ų50.122%0.21624%0.239CC..Hα-helixtrans-65.4-32.4-167.9-55.1-57.5000114.3F182 S185 A190 K191 T229 R232F182-Y187 AromaticContact CD2-CD1 3.72Å; F182-Y187 HydrophobicContact CD2-CD1 3.72Å; F182-Y187 AromaticContact CD2-CE1 3.98Å; F182-Y187 HydrophobicContact CD2-CE1 3.98Å; F182-Y187 HydrophobicContact CE1-CE1 4.39Å; F182-Y187 AromaticContact CE2-CD1 3.8Å; F182-Y187 HydrophobicContact CE2-CD1 3.8Å; F182-Y187 AromaticContact CE2-CE1 3.82Å; F182-Y187 HydrophobicContact CE2-CE1 3.82Å; F182-Y187 HydrophobicContact CG-CD1 4.33Å; F182-Y187 HydrophobicContact CG-CE1 4.33Å; F182-Y187 HydrophobicContact CZ-CD1 4.47Å; F182-Y187 HydrophobicContact CZ-CE1 4.03Å; S185-Y187 VanDerWaalsContact C-N 3.33Å; S185-Y187 WeakPolarHBondContact O-CD2 3.4Å; S185-Y187 PolarHBondContact O-N 2.85Å; Y187-A190 WeakPolarHBondContact O-CB 3.21Å; Y187-A190 PolarHBondContact O-N 3.13Å; Y187-K191 WeakPolarHBondContact O-CB 3.36Å; Y187-K191 PolarHBondContact O-N 3.14Å; Y187-T229 WeakPolarHBondContact O-CG2 3.45Å; Y187-R232 HydrophobicContact CD1-CB 3.8Å; Y187-R232 HydrophobicContact CD1-CG 4.17Å; Y187-R232 HydrophobicContact CD2-CB 3.79Å; Y187-R232 HydrophobicContact CE1-CB 3.84Å; Y187-R232 HydrophobicContact CE1-CG 3.81Å; Y187-R232 HydrophobicContact CE2-CB 3.82Å; Y187-R232 HydrophobicContact CE2-CG 4.41Å; Y187-R232 HydrophobicContact CG-CB 3.78Å
188D97.7Very high96.5Very high84 Ų8450.1 Ų50.145%0.44924%0.239SC..Hα-helixtrans-64.1-47.1176-73.9-57.7000112.5R186 A190 K191 D192R186-D188 PolarHBondContact O-N 3.04Å; D188-A190 VanDerWaalsContact C-N 3.29Å; D188-A190 PolarHBondContact O-N 3.47Å; D188-K191 WeakPolarHBondContact O-CB 3.38Å; D188-K191 PolarHBondContact O-N 3.33Å; D188-K191 IonicContact OD1-NZ 3.45Å; D188-K191 PolarHBondContact OD1-NZ 2.82Å; D188-D192 VanDerWaalsContact O-CG 3.28Å; D188-D192 PolarHBondContact O-N 3.17Å
189H96.4Very high96.2Very high82 Ų8253.2 Ų53.238%0.3826%0.259SS..Hα-helixtrans-64.8-35.4175.4-63.3-64.8000112F181 R186 D192 R193F181-H189 HydrophobicContact CB-CB 4.04Å; F181-H189 HydrophobicContact CD1-CB 3.72Å; F181-H189 HydrophobicContact CD2-CB 3.75Å; F181-H189 HydrophobicContact CE1-CB 4.06Å; F181-H189 HydrophobicContact CE2-CB 4.08Å; F181-H189 HydrophobicContact CG-CB 3.57Å; F181-H189 HydrophobicContact CZ-CB 4.23Å; R186-H189 PolarHBondContact NE-CD2 2.98Å; R186-H189 VanDerWaalsContact NE-CD2 3.29Å; R186-H189 PolarHBondContact NH2-CD2 3.39Å; R186-H189 PolarHBondContact NH2-NE2 3.03Å; R186-H189 PolarHBondContact O-N 3.23Å; H189-D192 PolarHBondContact O-N 3.27Å; H189-R193 WeakPolarHBondContact O-CG 3.36Å; H189-R193 PolarHBondContact O-N 2.94Å
190A98.1Very high95.9Very high0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-61-4917400000111.2G178 F181 F182 R186 Y187 D188 D192 R193 Y194 T229G178-A190 VanDerWaalsContact O-CB 3.31Å; G178-A190 WeakPolarHBondContact O-CB 3.31Å; F181-A190 HydrophobicContact CB-CB 3.87Å; F182-A190 HydrophobicContact CB-CB 3.95Å; R186-A190 PolarHBondContact O-N 3.28Å; R186-A190 VanDerWaalsContact O-N 3.09Å; Y187-A190 WeakPolarHBondContact O-CB 3.21Å; Y187-A190 PolarHBondContact O-N 3.13Å; D188-A190 VanDerWaalsContact C-N 3.29Å; D188-A190 PolarHBondContact O-N 3.47Å; A190-D192 VanDerWaalsContact C-N 3.33Å; A190-D192 PolarHBondContact O-N 3.48Å; A190-R193 PolarHBondContact O-N 3.09Å; A190-Y194 HydrophobicContact CB-CD2 4.48Å; A190-Y194 HydrophobicContact CB-CE2 3.9Å; A190-Y194 WeakPolarHBondContact O-CD2 3.49Å; A190-Y194 VanDerWaalsContact O-CG 3.3Å; A190-Y194 PolarHBondContact O-N 2.95Å; A190-T229 HydrophobicContact CB-CG2 4.28Å
191K98.3Very high95.7Very high32 Ų3250.4 Ų50.414%0.13925%0.246CC..Hα-helixtrans-55.4-46.2176.5174.6-171.473.4-160.70111.4Y187 D188 R193 Y194 K195 L226 T229 L233Y187-K191 WeakPolarHBondContact O-CB 3.36Å; Y187-K191 PolarHBondContact O-N 3.14Å; D188-K191 WeakPolarHBondContact O-CB 3.38Å; D188-K191 PolarHBondContact O-N 3.33Å; D188-K191 IonicContact OD1-NZ 3.45Å; D188-K191 PolarHBondContact OD1-NZ 2.82Å; K191-R193 PolarHBondContact O-N 3.47Å; K191-Y194 PolarHBondContact O-N 3.05Å; K191-K195 HydrophobicContact CG-CD 4.09Å; K191-K195 WeakPolarHBondContact O-CB 3.36Å; K191-K195 WeakPolarHBondContact O-CG 3.4Å; K191-K195 PolarHBondContact O-N 3.16Å; K191-L226 HydrophobicContact CG-CD2 4.32Å; K191-T229 HydrophobicContact CB-CG2 3.88Å; K191-L233 HydrophobicContact CB-CD1 4.37Å; K191-L233 HydrophobicContact CD-CD1 3.81Å
192D97.7Very high95.3Very high86 Ų8656.2 Ų56.246%0.4627%0.267SS..Hα-helixtrans-62-44.8-178.7-66-18.1000111.6D188 H189 A190 K195 Q196D188-D192 VanDerWaalsContact O-CG 3.28Å; D188-D192 PolarHBondContact O-N 3.17Å; H189-D192 PolarHBondContact O-N 3.27Å; A190-D192 VanDerWaalsContact C-N 3.33Å; A190-D192 PolarHBondContact O-N 3.48Å; D192-K195 PolarHBondContact O-N 3.38Å; D192-Q196 WeakPolarHBondContact O-CB 3.39Å; D192-Q196 PolarHBondContact O-N 3.33Å
193R97.1Very high94.7Very high75 Ų7559.6 Ų59.628%0.28329%0.287SS..Hα-helixtrans-66.2-41.9177.9-63.1-58.4-177.6104.6-0.6112.8F177 F181 H189 A190 K191 K195 Q196 A197F177-R193 HydrophobicContact CB-CB 4.41Å; F177-R193 HydrophobicContact CB-CG 4.06Å; F177-R193 VanDerWaalsContact CD1-NH1 3.28Å; F181-R193 HydrophobicContact CD2-CG 4.02Å; F181-R193 HydrophobicContact CE2-CG 3.99Å; H189-R193 WeakPolarHBondContact O-CG 3.36Å; H189-R193 PolarHBondContact O-N 2.94Å; A190-R193 PolarHBondContact O-N 3.09Å; K191-R193 PolarHBondContact O-N 3.47Å; R193-K195 VanDerWaalsContact C-N 3.34Å; R193-Q196 PolarHBondContact O-N 2.95Å; R193-A197 PolarHBondContact O-N 2.9Å
194Y98.3Very high94.1Very high2 Ų256.2 Ų56.21%0.00827%0.266CS..Hα-helixtrans-65.6-37.6175-59.2-44.9000112.3R175 G178 N179 A190 K191 A197 M198 L222 N225 L226 T229R175-Y194 HydrophobicContact CG-CD1 4.34Å; R175-Y194 HydrophobicContact CG-CE1 4.11Å; R175-Y194 WeakPolarHBondContact O-CE1 3.12Å; G178-Y194 PolarHBondContact O-OH 3.08Å; N179-Y194 VanDerWaalsContact CA-OH 3.23Å; N179-Y194 WeakPolarHBondContact CA-OH 3.42Å; N179-Y194 PolarHBondContact N-OH 3.13Å; N179-Y194 VanDerWaalsContact N-OH 3.08Å; N179-Y194 PolarHBondContact OD1-OH 3.43Å; A190-Y194 HydrophobicContact CB-CD2 4.48Å; A190-Y194 HydrophobicContact CB-CE2 3.9Å; A190-Y194 WeakPolarHBondContact O-CD2 3.49Å; A190-Y194 VanDerWaalsContact O-CG 3.3Å; A190-Y194 PolarHBondContact O-N 2.95Å; K191-Y194 PolarHBondContact O-N 3.05Å; Y194-A197 PolarHBondContact O-N 3.19Å; Y194-M198 WeakPolarHBondContact O-CB 3.49Å; Y194-M198 PolarHBondContact O-N 3.2Å; Y194-L222 HydrophobicContact CD1-CD2 4.29Å; Y194-N225 HydrophobicContact CD1-CB 4.14Å; Y194-N225 HydrophobicContact CD2-CB 4.02Å; Y194-N225 HydrophobicContact CE1-CB 3.85Å; Y194-N225 VanDerWaalsContact CE1-ND2 3.29Å; Y194-N225 WeakPolarHBondContact CE1-ND2 3.46Å; Y194-N225 HydrophobicContact CE2-CB 3.75Å; Y194-N225 HydrophobicContact CG-CB 4.23Å; Y194-N225 PolarHBondContact OH-ND2 3.42Å; Y194-L226 HydrophobicContact CD2-CD2 4.31Å; Y194-L226 HydrophobicContact CD2-CG 4.47Å; Y194-L226 HydrophobicContact CG-CD2 4.49Å; Y194-L226 HydrophobicContact CG-CG 4.45Å; Y194-T229 WeakPolarHBondContact CE2-OG1 3.31Å
195K97.1Very high92.9Very high57 Ų5760.3 Ų60.325%0.24829%0.289CS..Hα-helixtrans-66.9-42.7175.9-78.6-177.9-178.8171.60111.8K191 D192 R193 A197 M198 T199 L226 E230 Y242K191-K195 HydrophobicContact CG-CD 4.09Å; K191-K195 WeakPolarHBondContact O-CB 3.36Å; K191-K195 WeakPolarHBondContact O-CG 3.4Å; K191-K195 PolarHBondContact O-N 3.16Å; D192-K195 PolarHBondContact O-N 3.38Å; R193-K195 VanDerWaalsContact C-N 3.34Å; K195-A197 VanDerWaalsContact C-N 3.33Å; K195-A197 PolarHBondContact O-N 3.09Å; K195-M198 HydrophobicContact CG-CE 4.33Å; K195-M198 PolarHBondContact O-N 3.44Å; K195-T199 PolarHBondContact O-N 2.99Å; K195-T199 PolarHBondContact O-OG1 3.39Å; K195-T199 VanDerWaalsContact O-OG1 3.11Å; K195-L226 HydrophobicContact CG-CD1 4.47Å; K195-L226 HydrophobicContact CG-CD2 3.89Å; K195-E230 IonicContact NZ-OE1 2.98Å; K195-E230 PolarHBondContact NZ-OE1 3.23Å; K195-Y242 VanDerWaalsContact CE-OH 3.3Å; K195-Y242 WeakPolarHBondContact CE-OH 3.48Å
196Q95.6Very high91.2Very high70 Ų7058.8 Ų58.833%0.32728%0.278SS..Hα-helixtrans-56.6-49.3174.5-172177.824.400110.7L174 D192 R193 M198 T199 L200L174-Q196 HydrophobicContact CD1-CG 4.13Å; L174-Q196 HydrophobicContact CD2-CG 4.45Å; L174-Q196 VanDerWaalsContact CD2-OE1 3.3Å; D192-Q196 WeakPolarHBondContact O-CB 3.39Å; D192-Q196 PolarHBondContact O-N 3.33Å; R193-Q196 PolarHBondContact O-N 2.95Å; Q196-M198 VanDerWaalsContact C-N 3.35Å; Q196-M198 PolarHBondContact O-N 3.24Å; Q196-T199 PolarHBondContact O-N 3.41Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.28Å; Q196-L200 VanDerWaalsContact O-N 3.09Å
197A95.9Very high89.6Confident0 Ų064.1 Ų64.10%030%0.298CS..Hα-helixtrans-57.8-45.7175.400000112.3I171 L174 R193 Y194 K195 T199 L200 L201 L222I171-A197 HydrophobicContact CD1-CB 4.09Å; I171-A197 WeakPolarHBondContact CD1-O 3.32Å; I171-A197 HydrophobicContact CG2-CB 4.27Å; L174-A197 HydrophobicContact CB-CB 3.83Å; L174-A197 HydrophobicContact CD1-CB 4.11Å; R193-A197 PolarHBondContact O-N 2.9Å; Y194-A197 PolarHBondContact O-N 3.19Å; K195-A197 VanDerWaalsContact C-N 3.33Å; K195-A197 PolarHBondContact O-N 3.09Å; A197-T199 PolarHBondContact O-N 3.2Å; A197-L200 PolarHBondContact O-N 2.93Å; A197-L201 PolarHBondContact O-N 2.69Å; A197-L201 VanDerWaalsContact O-N 3.16Å; A197-L222 HydrophobicContact CB-CD1 3.85Å; A197-L222 HydrophobicContact CB-CD2 3.87Å
198M94.8Very high88Confident13 Ų1366.2 Ų66.26%0.06431%0.313CS..Hα-helixtrans-62.3-41.2178.2179.4-170.260.900112.2Y194 K195 Q196 L201 R202 L219 L222 Y223 L226 Y242Y194-M198 WeakPolarHBondContact O-CB 3.49Å; Y194-M198 PolarHBondContact O-N 3.2Å; K195-M198 HydrophobicContact CG-CE 4.33Å; K195-M198 PolarHBondContact O-N 3.44Å; Q196-M198 VanDerWaalsContact C-N 3.35Å; Q196-M198 PolarHBondContact O-N 3.24Å; M198-L201 PolarHBondContact O-N 3.2Å; M198-R202 HydrophobicContact CG-CG 4.37Å; M198-R202 WeakPolarHBondContact O-CB 3.24Å; M198-R202 VanDerWaalsContact O-CG 3.31Å; M198-R202 WeakPolarHBondContact O-CG 3.46Å; M198-R202 PolarHBondContact O-N 2.86Å; M198-L219 HydrophobicContact CG-CD2 3.99Å; M198-L222 HydrophobicContact CB-CD1 4.35Å; M198-Y223 HydrophobicContact CG-CE1 4.28Å; M198-Y223 HydrophobicContact SD-CD1 4.29Å; M198-Y223 HydrophobicContact SD-CE1 3.57Å; M198-Y223 VanDerWaalsContact SD-CE1 3.57Å; M198-L226 HydrophobicContact CE-CD1 4.49Å; M198-L226 HydrophobicContact SD-CD1 4.08Å; M198-Y242 HydrophobicContact CE-CE1 4.39Å; M198-Y242 HydrophobicContact SD-CE1 3.98Å
199T91.9Very high86.5Confident66 Ų6668.3 Ų68.341%0.40532%0.32SS..Hα-helixtrans-63.4-45.3178.6-63.20000110.9K195 Q196 A197 L201 R202 N203K195-T199 PolarHBondContact O-N 2.99Å; K195-T199 PolarHBondContact O-OG1 3.39Å; K195-T199 VanDerWaalsContact O-OG1 3.11Å; Q196-T199 PolarHBondContact O-N 3.41Å; A197-T199 PolarHBondContact O-N 3.2Å; T199-L201 VanDerWaalsContact C-N 3.32Å; T199-L201 PolarHBondContact O-N 2.93Å; T199-R202 PolarHBondContact O-N 3.07Å; T199-N203 WeakPolarHBondContact O-CB 3.45Å; T199-N203 PolarHBondContact O-N 3.16Å; T199-N203 PolarHBondContact O-OD1 3.19Å
200L91.2Very high85.4Confident23 Ų2368.1 Ų68.112%0.1233%0.326CS..Hα-helixtrans-60.3-40.5177.6-65.7-177.1000112.4F151 L167 V170 I171 L174 Q196 A197F151-L200 HydrophobicContact CD1-CD1 4.12Å; F151-L200 HydrophobicContact CE1-CD1 4.14Å; F151-L200 HydrophobicContact CE1-CD2 4.13Å; L167-L200 HydrophobicContact CD1-CB 4.26Å; V170-L200 HydrophobicContact CG1-CD1 4.16Å; I171-L200 HydrophobicContact CD1-CB 3.81Å; I171-L200 HydrophobicContact CD1-CD1 4.35Å; L174-L200 HydrophobicContact CD1-CD1 3.74Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.28Å; Q196-L200 VanDerWaalsContact O-N 3.09Å; A197-L200 PolarHBondContact O-N 2.93Å
201L89.8Confident84.6Confident1 Ų170.6 Ų70.61%0.00534%0.339CS..Hα-helixtrans-67.1-41.3174.9-81.3172.2000113.1L167 I171 A197 M198 T199 R204 A218 L219 L222L167-L201 HydrophobicContact CD2-CD2 4.33Å; L167-L201 HydrophobicContact CG-CD2 4.47Å; I171-L201 HydrophobicContact CD1-CD1 4.42Å; I171-L201 HydrophobicContact CD1-CG 3.86Å; I171-L201 HydrophobicContact CG1-CD1 4.14Å; I171-L201 HydrophobicContact CG1-CD2 3.98Å; I171-L201 HydrophobicContact CG1-CG 3.72Å; I171-L201 HydrophobicContact CG2-CD1 3.88Å; I171-L201 HydrophobicContact CG2-CG 4.41Å; A197-L201 PolarHBondContact O-N 2.69Å; A197-L201 VanDerWaalsContact O-N 3.16Å; M198-L201 PolarHBondContact O-N 3.2Å; T199-L201 VanDerWaalsContact C-N 3.32Å; T199-L201 PolarHBondContact O-N 2.93Å; L201-R204 VanDerWaalsContact O-CB 3.31Å; L201-R204 WeakPolarHBondContact O-CB 3.48Å; L201-R204 PolarHBondContact O-N 3.09Å; L201-A218 HydrophobicContact CD1-CB 3.83Å; L201-A218 HydrophobicContact CD2-CB 4.19Å; L201-L219 HydrophobicContact CB-CD2 3.98Å; L201-L219 HydrophobicContact CB-CG 4.41Å; L201-L219 HydrophobicContact CD1-CD2 3.86Å; L201-L219 HydrophobicContact CD1-CG 4.06Å; L201-L222 HydrophobicContact CD1-CD1 3.77Å
202R86.5Confident84Confident150 Ų15072.9 Ų72.957%0.56635%0.349SS*.Hα-helixtrans-74.4-27.1-176.7-73.7-176.171.7-154-2.5113.4M198 T199 R204 L219M198-R202 HydrophobicContact CG-CG 4.37Å; M198-R202 WeakPolarHBondContact O-CB 3.24Å; M198-R202 VanDerWaalsContact O-CG 3.31Å; M198-R202 WeakPolarHBondContact O-CG 3.46Å; M198-R202 PolarHBondContact O-N 2.86Å; T199-R202 PolarHBondContact O-N 3.07Å; R202-R204 PolarHBondContact O-N 2.76Å; R202-L219 HydrophobicContact CG-CD2 4.4Å
203N84.5Confident83.5Confident106 Ų10675 Ų7557%0.56736%0.356SS*.THydrogen-bonded Turntrans-72.9-8.3174.8-700.4000112.2T199 D205T199-N203 WeakPolarHBondContact O-CB 3.45Å; T199-N203 PolarHBondContact O-N 3.16Å; T199-N203 PolarHBondContact O-OD1 3.19Å; N203-D205 PolarHBondContact O-N 3.47Å
204R82.1Confident83Confident48 Ų4877 Ų7718%0.18137%0.367CS..SBendtrans-77.8115177.8-165.467.4-173.5-144.3-7.2110.5Q159 S160 V162 L167 L201 R202 S206 I215Q159-R204 PolarHBondContact O-NH1 2.92Å; S160-R204 VanDerWaalsContact C-NH1 3.33Å; S160-R204 PolarHBondContact O-NH1 3.49Å; S160-R204 VanDerWaalsContact O-NH1 3.15Å; S160-R204 PolarHBondContact O-NH2 2.75Å; V162-R204 PolarHBondContact O-NH1 3.15Å; V162-R204 PolarHBondContact O-NH2 3.39Å; L167-R204 HydrophobicContact CD2-CB 4.35Å; L167-R204 HydrophobicContact CD2-CG 4.33Å; L201-R204 VanDerWaalsContact O-CB 3.31Å; L201-R204 WeakPolarHBondContact O-CB 3.48Å; L201-R204 PolarHBondContact O-N 3.09Å; R202-R204 PolarHBondContact O-N 2.76Å; R204-S206 PolarHBondContact O-N 3.49Å; R204-I215 HydrophobicContact CB-CD1 4.26Å; R204-I215 HydrophobicContact CG-CD1 4.27Å
205D67.1Low82.7Confident124 Ų12477.5 Ų77.566%0.66337%0.37SS*.  trans-63.8105.7170.2-90.5-11.4000110.1N203N203-D205 PolarHBondContact O-N 3.47Å
206S61.4Low82.5Confident46 Ų4678.7 Ų78.732%0.32238%0.376SS..  trans-99.883.7172.968.90000110.1R204R204-S206 PolarHBondContact O-N 3.49Å
207R61.7Low82.3Confident227 Ų22779.9 Ų79.986%0.85739%0.388SS*.  trans-73.8-17.1170.2-63.3-175.3-173.1-176.92.6112.5
208N65.6Low82.2Confident98 Ų9880.6 Ų80.652%0.52439%0.394SS..SBendtrans-103.1130.2-179.3-61.8-22.8000111.2P210 D211 K212N208-P210 HydrophobicContact CB-CG 4.38Å; N208-D211 PolarHBondContact O-N 2.92Å; N208-K212 PolarHBondContact O-N 3.25Å
209E65.4Low82.2Confident128 Ų12880.6 Ų80.660%0.59839%0.394SS*.Hα-helixtrans-55.8-42.2176.3-74.9-62.9157.200115.4D211 K212 E213E209-D211 VanDerWaalsContact C-N 3.27Å; E209-D211 PolarHBondContact O-N 2.96Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 3.17Å; E209-K212 IonicContact OE1-NZ 3.02Å; E209-K212 PolarHBondContact OE1-NZ 3.13Å; E209-K212 WeakPolarHBondContact OE2-CD 3.48Å; E209-K212 IonicContact OE2-NZ 3.36Å; E209-K212 PolarHBondContact OE2-NZ 3.32Å; E209-E213 PolarHBondContact O-N 3.03Å; E209-E213 VanDerWaalsContact O-N 3.14Å
210P73Confident82.5Confident79 Ų7978.9 Ų78.951%0.51338%0.383SS..Hα-helixtrans-66.1-27.3179.824.4-35.1000113.8N208 K214N208-P210 HydrophobicContact CB-CG 4.38Å; P210-K214 WeakPolarHBondContact O-CG 3.47Å; P210-K214 PolarHBondContact O-N 3.33Å
211D81.1Confident82.8Confident51 Ų5179.7 Ų79.727%0.27339%0.389SS..Hα-helixtrans-79.2-32.8176.4-69.8-27.2000111.3L164 N208 E209 K214 I215L164-D211 HydrophobicContact CD2-CB 4.07Å; N208-D211 PolarHBondContact O-N 2.92Å; E209-D211 VanDerWaalsContact C-N 3.27Å; E209-D211 PolarHBondContact O-N 2.96Å; D211-K214 PolarHBondContact O-N 2.84Å; D211-K214 IonicContact OD1-NZ 3.93Å; D211-I215 WeakPolarHBondContact O-CB 3.1Å; D211-I215 WeakPolarHBondContact O-CD1 3.36Å; D211-I215 WeakPolarHBondContact O-CG1 3.21Å; D211-I215 PolarHBondContact O-N 2.89Å
212K85.4Confident83.2Confident80 Ų8079.6 Ų79.635%0.34839%0.389SS..Hα-helixtrans-62.9-43.4174.8-174.7-179.6166.3-160.60111.8N208 E209 I215 Q216N208-K212 PolarHBondContact O-N 3.25Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 3.17Å; E209-K212 IonicContact OE1-NZ 3.02Å; E209-K212 PolarHBondContact OE1-NZ 3.13Å; E209-K212 WeakPolarHBondContact OE2-CD 3.48Å; E209-K212 IonicContact OE2-NZ 3.36Å; E209-K212 PolarHBondContact OE2-NZ 3.32Å; K212-I215 PolarHBondContact O-N 3.33Å; K212-Q216 WeakPolarHBondContact O-CG 3.39Å; K212-Q216 PolarHBondContact O-N 3.27Å
213E87.4Confident83.7Confident130 Ų13073.2 Ų73.261%0.60737%0.365SS*.Hα-helixtrans-61.1-47.7174.6-172.7-178.5-179.400111.2E209 I215 Q216 V217E209-E213 PolarHBondContact O-N 3.03Å; E209-E213 VanDerWaalsContact O-N 3.14Å; E213-I215 VanDerWaalsContact C-N 3.3Å; E213-I215 PolarHBondContact O-N 3.37Å; E213-Q216 WeakPolarHBondContact O-CB 3.48Å; E213-Q216 PolarHBondContact O-N 3.34Å; E213-Q216 VanDerWaalsContact O-N 3.13Å; E213-V217 WeakPolarHBondContact O-CG2 3.25Å; E213-V217 PolarHBondContact O-N 3.27Å
214K88.4Confident84.4Confident117 Ų11769 Ų6951%0.50934%0.342SS..Hα-helixtrans-59.7-39.1176.5-71.8171.3-171.7166.40112.6L164 P210 D211 V217 A218L164-K214 HydrophobicContact CD2-CB 3.66Å; L164-K214 HydrophobicContact CD2-CD 3.84Å; L164-K214 HydrophobicContact CD2-CG 4.44Å; P210-K214 WeakPolarHBondContact O-CG 3.47Å; P210-K214 PolarHBondContact O-N 3.33Å; D211-K214 PolarHBondContact O-N 2.84Å; D211-K214 IonicContact OD1-NZ 3.93Å; K214-V217 PolarHBondContact O-N 3.03Å; K214-A218 WeakPolarHBondContact O-CB 3.35Å; K214-A218 PolarHBondContact O-N 3.22Å
215I91.1Very high85.2Confident14 Ų1468.1 Ų68.17%0.07234%0.341CS..Hα-helixtrans-64.5-44.4175.5-71.7162.7000110.4L164 R204 D211 K212 E213 A218 L219L164-I215 HydrophobicContact CD1-CG1 4.02Å; L164-I215 HydrophobicContact CD2-CG1 4.37Å; R204-I215 HydrophobicContact CB-CD1 4.26Å; R204-I215 HydrophobicContact CG-CD1 4.27Å; D211-I215 WeakPolarHBondContact O-CB 3.1Å; D211-I215 WeakPolarHBondContact O-CD1 3.36Å; D211-I215 WeakPolarHBondContact O-CG1 3.21Å; D211-I215 PolarHBondContact O-N 2.89Å; K212-I215 PolarHBondContact O-N 3.33Å; E213-I215 VanDerWaalsContact C-N 3.3Å; E213-I215 PolarHBondContact O-N 3.37Å; I215-A218 PolarHBondContact O-N 3.04Å; I215-L219 HydrophobicContact CG2-CD1 3.84Å; I215-L219 HydrophobicContact CG2-CG 4.24Å; I215-L219 WeakPolarHBondContact O-CB 3.24Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.25Å; I215-L219 PolarHBondContact O-N 3.23Å
216Q91.8Very high86.7Confident82 Ų8262.2 Ų62.238%0.38331%0.309SS..Hα-helixtrans-60.5-46.1175.8-73.7-179.7-9.700111.6K212 E213 A218 L219 L220 I249K212-Q216 WeakPolarHBondContact O-CG 3.39Å; K212-Q216 PolarHBondContact O-N 3.27Å; E213-Q216 WeakPolarHBondContact O-CB 3.48Å; E213-Q216 PolarHBondContact O-N 3.34Å; E213-Q216 VanDerWaalsContact O-N 3.13Å; Q216-A218 VanDerWaalsContact C-N 3.27Å; Q216-A218 PolarHBondContact O-N 2.86Å; Q216-L219 PolarHBondContact O-N 3.26Å; Q216-L219 VanDerWaalsContact O-N 3.1Å; Q216-L220 PolarHBondContact O-N 2.94Å; Q216-I249 HydrophobicContact CB-CD1 4.46Å; Q216-I249 HydrophobicContact CB-CG1 4.27Å; Q216-I249 HydrophobicContact CB-CG2 4.16Å; Q216-I249 HydrophobicContact CG-CG1 4.49Å
217V92.1Very high88.5Confident94 Ų9460 Ų6057%0.5729%0.294SS*.Hα-helixtrans-58-40.5175.3171.80000111.4E213 K214 P221E213-V217 WeakPolarHBondContact O-CG2 3.25Å; E213-V217 PolarHBondContact O-N 3.27Å; K214-V217 PolarHBondContact O-N 3.03Å; V217-P221 WeakPolarHBondContact O-CD 3.18Å
218A93.8Very high90.2Very high16 Ų1650.8 Ų50.813%0.13226%0.262CS..Hα-helixtrans-72.8-29.7176.900000113.6V168 L201 K214 I215 Q216 P221V168-A218 HydrophobicContact CG2-CB 4.47Å; L201-A218 HydrophobicContact CD1-CB 3.83Å; L201-A218 HydrophobicContact CD2-CB 4.19Å; K214-A218 WeakPolarHBondContact O-CB 3.35Å; K214-A218 PolarHBondContact O-N 3.22Å; I215-A218 PolarHBondContact O-N 3.04Å; Q216-A218 VanDerWaalsContact C-N 3.27Å; Q216-A218 PolarHBondContact O-N 2.86Å; A218-P221 WeakPolarHBondContact O-CD 3.31Å; A218-P221 WeakPolarHBondContact O-CG 3.41Å
219L95.6Very high91.8Very high13 Ų1346.1 Ų46.17%0.06824%0.237CC..Hα-helixtrans-73.9-34.6177.1-78.3171.8000112.8M198 L201 R202 I215 Q216 L222 Y223 I249M198-L219 HydrophobicContact CG-CD2 3.99Å; L201-L219 HydrophobicContact CB-CD2 3.98Å; L201-L219 HydrophobicContact CB-CG 4.41Å; L201-L219 HydrophobicContact CD1-CD2 3.86Å; L201-L219 HydrophobicContact CD1-CG 4.06Å; R202-L219 HydrophobicContact CG-CD2 4.4Å; I215-L219 HydrophobicContact CG2-CD1 3.84Å; I215-L219 HydrophobicContact CG2-CG 4.24Å; I215-L219 WeakPolarHBondContact O-CB 3.24Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.25Å; I215-L219 PolarHBondContact O-N 3.23Å; Q216-L219 PolarHBondContact O-N 3.26Å; Q216-L219 VanDerWaalsContact O-N 3.1Å; L219-L222 WeakPolarHBondContact O-CA 3.38Å; L219-L222 WeakPolarHBondContact O-CB 3.48Å; L219-L222 PolarHBondContact O-N 2.96Å; L219-Y223 HydrophobicContact CB-CD2 4.18Å; L219-Y223 HydrophobicContact CB-CE2 3.82Å; L219-Y223 HydrophobicContact CD1-CE2 4.33Å; L219-Y223 HydrophobicContact CG-CE2 4.47Å; L219-Y223 PolarHBondContact O-N 3.19Å; L219-I249 HydrophobicContact CB-CD1 4.16Å
220L96.9Very high93.4Very high30 Ų3040 Ų4016%0.15721%0.208CC..Hα-helixtrans-49.7-54.7-178.4178.960.5000113.6Q216 L222 Y223 L224 A246 I249 D250Q216-L220 PolarHBondContact O-N 2.94Å; L220-L222 PolarHBondContact O-N 3.49Å; L220-Y223 PolarHBondContact O-N 2.87Å; L220-L224 HydrophobicContact CD1-CD1 4.15Å; L220-L224 HydrophobicContact CD1-CG 4.14Å; L220-L224 HydrophobicContact CG-CD1 4.12Å; L220-L224 WeakPolarHBondContact O-CB 3.11Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.23Å; L220-L224 PolarHBondContact O-N 3.39Å; L220-A246 HydrophobicContact CD1-CB 3.77Å; L220-I249 HydrophobicContact CB-CD1 4.33Å; L220-I249 HydrophobicContact CB-CG2 4.26Å; L220-I249 HydrophobicContact CD1-CB 4.49Å; L220-D250 HydrophobicContact CD2-CB 4.16Å
221P97.8Very high94.6Very high39 Ų3937 Ų3725%0.25319%0.187SC..Hα-helixtrans-63.4-28.9178.625.6-35.4000113.2V217 A218 N225V217-P221 WeakPolarHBondContact O-CD 3.18Å; A218-P221 WeakPolarHBondContact O-CD 3.31Å; A218-P221 WeakPolarHBondContact O-CG 3.41Å; P221-N225 WeakPolarHBondContact O-CB 3.11Å; P221-N225 VanDerWaalsContact O-CG 3.26Å; P221-N225 PolarHBondContact O-N 3.3Å
222L98.2Very high95.4Very high0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-71.5-44176-61.6175.7000111.5I171 R175 Y194 A197 M198 L201 L219 L220 L224 N225 L226I171-L222 HydrophobicContact CG2-CD1 4.04Å; R175-L222 HydrophobicContact CB-CD2 3.96Å; R175-L222 HydrophobicContact CG-CD2 3.92Å; Y194-L222 HydrophobicContact CD1-CD2 4.29Å; A197-L222 HydrophobicContact CB-CD1 3.85Å; A197-L222 HydrophobicContact CB-CD2 3.87Å; M198-L222 HydrophobicContact CB-CD1 4.35Å; L201-L222 HydrophobicContact CD1-CD1 3.77Å; L219-L222 WeakPolarHBondContact O-CA 3.38Å; L219-L222 WeakPolarHBondContact O-CB 3.48Å; L219-L222 PolarHBondContact O-N 2.96Å; L220-L222 PolarHBondContact O-N 3.49Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-N225 PolarHBondContact O-N 3.41Å; L222-L226 VanDerWaalsContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.89Å
223Y98.4Very high96Very high15 Ų1539.1 Ų39.16%0.05919%0.192CC..Hα-helixtrans-63.5-41.5175-70.9-37.7000112.1M198 L219 L220 L226 S227 Y242 K245 I249M198-Y223 HydrophobicContact CG-CE1 4.28Å; M198-Y223 HydrophobicContact SD-CD1 4.29Å; M198-Y223 HydrophobicContact SD-CE1 3.57Å; M198-Y223 VanDerWaalsContact SD-CE1 3.57Å; L219-Y223 HydrophobicContact CB-CD2 4.18Å; L219-Y223 HydrophobicContact CB-CE2 3.82Å; L219-Y223 HydrophobicContact CD1-CE2 4.33Å; L219-Y223 HydrophobicContact CG-CE2 4.47Å; L219-Y223 PolarHBondContact O-N 3.19Å; L220-Y223 PolarHBondContact O-N 2.87Å; Y223-L226 PolarHBondContact O-N 2.99Å; Y223-S227 VanDerWaalsContact O-CB 3.23Å; Y223-S227 WeakPolarHBondContact O-CB 3.45Å; Y223-S227 PolarHBondContact O-N 3.32Å; Y223-Y242 AromaticContact CD1-CD1 3.67Å; Y223-Y242 HydrophobicContact CD1-CD1 3.67Å; Y223-Y242 HydrophobicContact CD1-CE1 4.31Å; Y223-Y242 HydrophobicContact CE1-CD1 4.11Å; Y223-Y242 HydrophobicContact CE1-CE1 4.41Å; Y223-K245 HydrophobicContact CD1-CB 4.18Å; Y223-K245 HydrophobicContact CD1-CD 4.31Å; Y223-K245 HydrophobicContact CD2-CB 3.82Å; Y223-K245 HydrophobicContact CE1-CB 4.2Å; Y223-K245 HydrophobicContact CE1-CD 3.73Å; Y223-K245 HydrophobicContact CE2-CB 3.83Å; Y223-K245 HydrophobicContact CE2-CD 4.42Å; Y223-K245 HydrophobicContact CG-CB 4.01Å; Y223-I249 HydrophobicContact CD2-CD1 3.77Å; Y223-I249 HydrophobicContact CE2-CD1 3.82Å
224L98.6Very high96.5Very high18 Ų1840.9 Ų40.99%0.09420%0.2CC..Hα-helixtrans-56.9-51.4172.7-76.3-178.4000111.1L220 L222 S227 L228 A246 K255 A256 R259L220-L224 HydrophobicContact CD1-CD1 4.15Å; L220-L224 HydrophobicContact CD1-CG 4.14Å; L220-L224 HydrophobicContact CG-CD1 4.12Å; L220-L224 WeakPolarHBondContact O-CB 3.11Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.23Å; L220-L224 PolarHBondContact O-N 3.39Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L224-S227 PolarHBondContact O-N 3.02Å; L224-L228 PolarHBondContact O-N 3.45Å; L224-L228 VanDerWaalsContact O-N 3.16Å; L224-A246 HydrophobicContact CD2-CB 3.97Å; L224-A246 HydrophobicContact CG-CB 4.28Å; L224-K255 HydrophobicContact CD2-CB 4.02Å; L224-A256 HydrophobicContact CD2-CB 3.76Å; L224-R259 VanDerWaalsContact CD2-NH1 3.26Å; L224-R259 VanDerWaalsContact O-CZ 3.23Å; L224-R259 PolarHBondContact O-NH1 3.07Å
225N98.6Very high97Very high29 Ų2938.2 Ų38.216%0.15519%0.191CC..Hα-helixtrans-66.1-41.5-179.9-77.91.9000112.6N179 Y194 P221 L222 L228 T229N179-N225 PolarHBondContact OD1-ND2 3.08Å; Y194-N225 HydrophobicContact CD1-CB 4.14Å; Y194-N225 HydrophobicContact CD2-CB 4.02Å; Y194-N225 HydrophobicContact CE1-CB 3.85Å; Y194-N225 VanDerWaalsContact CE1-ND2 3.29Å; Y194-N225 WeakPolarHBondContact CE1-ND2 3.46Å; Y194-N225 HydrophobicContact CE2-CB 3.75Å; Y194-N225 HydrophobicContact CG-CB 4.23Å; Y194-N225 PolarHBondContact OH-ND2 3.42Å; P221-N225 WeakPolarHBondContact O-CB 3.11Å; P221-N225 VanDerWaalsContact O-CG 3.26Å; P221-N225 PolarHBondContact O-N 3.3Å; L222-N225 PolarHBondContact O-N 3.41Å; N225-L228 PolarHBondContact O-N 3.16Å; N225-T229 WeakPolarHBondContact O-CB 3.46Å; N225-T229 PolarHBondContact O-N 3.39Å; N225-T229 PolarHBondContact O-OG1 3.48Å
226L98.6Very high97.3Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-63.9-42.6176-78.7166.8000112K191 Y194 K195 M198 L222 Y223 L228 T229 E230 Y242K191-L226 HydrophobicContact CG-CD2 4.32Å; Y194-L226 HydrophobicContact CD2-CD2 4.31Å; Y194-L226 HydrophobicContact CD2-CG 4.47Å; Y194-L226 HydrophobicContact CG-CD2 4.49Å; Y194-L226 HydrophobicContact CG-CG 4.45Å; K195-L226 HydrophobicContact CG-CD1 4.47Å; K195-L226 HydrophobicContact CG-CD2 3.89Å; M198-L226 HydrophobicContact CE-CD1 4.49Å; M198-L226 HydrophobicContact SD-CD1 4.08Å; L222-L226 VanDerWaalsContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.89Å; Y223-L226 PolarHBondContact O-N 2.99Å; L226-L228 PolarHBondContact O-N 3.31Å; L226-T229 PolarHBondContact O-N 3.06Å; L226-E230 WeakPolarHBondContact O-CB 3.32Å; L226-E230 VanDerWaalsContact O-CG 3.24Å; L226-E230 WeakPolarHBondContact O-CG 3.46Å; L226-E230 PolarHBondContact O-N 3.23Å; L226-Y242 HydrophobicContact CB-CD1 4.18Å; L226-Y242 HydrophobicContact CB-CD2 3.74Å; L226-Y242 HydrophobicContact CB-CE1 4.42Å; L226-Y242 HydrophobicContact CB-CE2 4.01Å; L226-Y242 HydrophobicContact CB-CG 3.82Å; L226-Y242 HydrophobicContact CD1-CD1 4.18Å; L226-Y242 HydrophobicContact CD1-CE1 3.82Å; L226-Y242 HydrophobicContact CD1-CE2 4.47Å; L226-Y242 HydrophobicContact CD2-CE2 4.47Å
227S98.6Very high97.6Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-58-49176.5179.50000111.1Y223 L224 T229 E230 L231 A239Y223-S227 VanDerWaalsContact O-CB 3.23Å; Y223-S227 WeakPolarHBondContact O-CB 3.45Å; Y223-S227 PolarHBondContact O-N 3.32Å; L224-S227 PolarHBondContact O-N 3.02Å; S227-T229 PolarHBondContact O-N 3.44Å; S227-E230 PolarHBondContact O-N 3.31Å; S227-L231 PolarHBondContact O-N 3.46Å; S227-L231 VanDerWaalsContact O-N 3.11Å; S227-A239 WeakPolarHBondContact CB-O 3.45Å; S227-A239 WeakPolarHBondContact O-CB 3.44Å; S227-A239 PolarHBondContact OG-O 3.47Å
228L98.6Very high97.9Very high34 Ų3442.8 Ų42.818%0.17820%0.204CC..Hα-helixtrans-64.6-40.6176-177.358.9000112.5F182 L224 N225 L226 E230 L231 R232F182-L228 HydrophobicContact CE1-CD2 4.12Å; F182-L228 HydrophobicContact CE2-CD2 4.18Å; F182-L228 HydrophobicContact CE2-CG 3.97Å; F182-L228 HydrophobicContact CZ-CD2 3.53Å; F182-L228 HydrophobicContact CZ-CG 3.65Å; L224-L228 PolarHBondContact O-N 3.45Å; L224-L228 VanDerWaalsContact O-N 3.16Å; N225-L228 PolarHBondContact O-N 3.16Å; L226-L228 PolarHBondContact O-N 3.31Å; L228-E230 VanDerWaalsContact C-N 3.35Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.11Å; L228-R232 WeakPolarHBondContact O-CG 3.34Å; L228-R232 PolarHBondContact O-N 2.88Å
229T98.6Very high98.1Very high0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-64.9-40.4-179.8-550000111.4F182 Y187 A190 K191 Y194 N225 L226 S227 R232 L233F182-T229 HydrophobicContact CD2-CG2 4.48Å; F182-T229 WeakPolarHBondContact CD2-OG1 3.19Å; Y187-T229 WeakPolarHBondContact O-CG2 3.45Å; A190-T229 HydrophobicContact CB-CG2 4.28Å; K191-T229 HydrophobicContact CB-CG2 3.88Å; Y194-T229 WeakPolarHBondContact CE2-OG1 3.31Å; N225-T229 WeakPolarHBondContact O-CB 3.46Å; N225-T229 PolarHBondContact O-N 3.39Å; N225-T229 PolarHBondContact O-OG1 3.48Å; L226-T229 PolarHBondContact O-N 3.06Å; S227-T229 PolarHBondContact O-N 3.44Å; T229-R232 PolarHBondContact O-N 3.45Å; T229-L233 HydrophobicContact CG2-CD1 4.16Å; T229-L233 WeakPolarHBondContact O-CG 3.39Å; T229-L233 PolarHBondContact O-N 3.34Å
230E98.6Very high98.3Very high0 Ų042.1 Ų42.10%020%0.198CC..Hα-helixtrans-69.5-31.5176.6-64.5-79.1-175.700111.7K195 L226 S227 L228 L233 E234 N235 K238 A239 Y242K195-E230 IonicContact NZ-OE1 2.98Å; K195-E230 PolarHBondContact NZ-OE1 3.23Å; L226-E230 WeakPolarHBondContact O-CB 3.32Å; L226-E230 VanDerWaalsContact O-CG 3.24Å; L226-E230 WeakPolarHBondContact O-CG 3.46Å; L226-E230 PolarHBondContact O-N 3.23Å; S227-E230 PolarHBondContact O-N 3.31Å; L228-E230 VanDerWaalsContact C-N 3.35Å; E230-L233 CarbonylContact O-C 3.38Å; E230-L233 PolarHBondContact O-N 3.4Å; E230-E234 PolarHBondContact O-N 2.88Å; E230-N235 HydrophobicContact CB-CB 4.31Å; E230-N235 PolarHBondContact O-N 3.08Å; E230-N235 WeakPolarHBondContact OE2-CB 3.39Å; E230-K238 HydrophobicContact CB-CB 4.12Å; E230-K238 HydrophobicContact CG-CB 3.89Å; E230-K238 WeakPolarHBondContact OE2-CD 3.43Å; E230-A239 HydrophobicContact CB-CB 3.98Å; E230-Y242 HydrophobicContact CG-CD2 4.03Å; E230-Y242 HydrophobicContact CG-CE2 4Å
231L98.4Very high98.3Very high14 Ų1446.7 Ų46.77%0.07322%0.217CC..Hα-helixtrans-62.5-43.9168.1-71.7171.7000111.4S227 L228 L233 E234 A239 R259 Q262 A263S227-L231 PolarHBondContact O-N 3.46Å; S227-L231 VanDerWaalsContact O-N 3.11Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.11Å; L231-L233 PolarHBondContact O-N 2.9Å; L231-E234 PolarHBondContact O-N 3.49Å; L231-A239 HydrophobicContact CD2-CB 3.67Å; L231-A239 HydrophobicContact CG-CB 3.62Å; L231-R259 HydrophobicContact CD1-CB 4.05Å; L231-R259 HydrophobicContact CD1-CG 4.12Å; L231-Q262 HydrophobicContact CD1-CB 3.88Å; L231-Q262 HydrophobicContact CD2-CB 4.22Å; L231-A263 HydrophobicContact CD2-CB 3.99Å
232R98.3Very high98.4Very high141 Ų14145.9 Ų45.953%0.53221%0.209SC..Hα-helixtrans-66.5-20.2176.5-63.8-56.3-177.7-174.3-0.1113.6F182 Y187 L228 T229F182-R232 HydrophobicContact CE2-CG 3.96Å; F182-R232 HydrophobicContact CZ-CG 3.93Å; Y187-R232 HydrophobicContact CD1-CB 3.8Å; Y187-R232 HydrophobicContact CD1-CG 4.17Å; Y187-R232 HydrophobicContact CD2-CB 3.79Å; Y187-R232 HydrophobicContact CE1-CB 3.84Å; Y187-R232 HydrophobicContact CE1-CG 3.81Å; Y187-R232 HydrophobicContact CE2-CB 3.82Å; Y187-R232 HydrophobicContact CE2-CG 4.41Å; Y187-R232 HydrophobicContact CG-CB 3.78Å; L228-R232 WeakPolarHBondContact O-CG 3.34Å; L228-R232 PolarHBondContact O-N 2.88Å; T229-R232 PolarHBondContact O-N 3.45Å
233L98.1Very high98.4Very high35 Ų3546 Ų4618%0.18321%0.21CC..THydrogen-bonded Turntrans-96.812174.3-69.4170.2000112.5K191 T229 E230 L231 N235K191-L233 HydrophobicContact CB-CD1 4.37Å; K191-L233 HydrophobicContact CD-CD1 3.81Å; T229-L233 HydrophobicContact CG2-CD1 4.16Å; T229-L233 WeakPolarHBondContact O-CG 3.39Å; T229-L233 PolarHBondContact O-N 3.34Å; E230-L233 CarbonylContact O-C 3.38Å; E230-L233 PolarHBondContact O-N 3.4Å; L231-L233 PolarHBondContact O-N 2.9Å; L233-N235 PolarHBondContact O-N 3.27Å; L233-N235 PolarHBondContact O-ND2 2.88Å
234E97.8Very high98.4Very high168 Ų16849.5 Ų49.579%0.78523%0.225SC*.THydrogen-bonded Turntrans56.534.8178.3-57.3177-166.900113.1E230 L231 P236E230-E234 PolarHBondContact O-N 2.88Å; L231-E234 PolarHBondContact O-N 3.49Å; E234-P236 WeakPolarHBondContact O-CD 3.3Å
235N98.1Very high98.3Very high60 Ų6050.6 Ų50.632%0.32123%0.229SC..  trans-112.665.9178-72.8-70.3000111.4E230 L233 K237 K238 A239E230-N235 HydrophobicContact CB-CB 4.31Å; E230-N235 PolarHBondContact O-N 3.08Å; E230-N235 WeakPolarHBondContact OE2-CB 3.39Å; L233-N235 PolarHBondContact O-N 3.27Å; L233-N235 PolarHBondContact O-ND2 2.88Å; N235-K237 VanDerWaalsContact C-N 3.28Å; N235-K237 PolarHBondContact O-N 3.32Å; N235-K238 HydrophobicContact CB-CB 4.31Å; N235-K238 HydrophobicContact CB-CD 4.31Å; N235-K238 PolarHBondContact O-N 3.3Å; N235-A239 PolarHBondContact O-N 2.88Å
236P98Very high98.3Very high22 Ų2249.2 Ų49.214%0.14322%0.222CC..Hα-helixtrans-61.3-32.8-171.122.2-33.6000113.5E234 K238 A239 L240 A263 E266 L267E234-P236 WeakPolarHBondContact O-CD 3.3Å; P236-K238 VanDerWaalsContact C-N 3.34Å; P236-K238 PolarHBondContact O-N 2.65Å; P236-A239 WeakPolarHBondContact O-CB 3.38Å; P236-A239 PolarHBondContact O-N 2.91Å; P236-L240 WeakPolarHBondContact O-CB 3.47Å; P236-L240 PolarHBondContact O-N 2.88Å; P236-A263 HydrophobicContact CB-CB 4.28Å; P236-E266 HydrophobicContact CB-CB 3.83Å; P236-E266 WeakPolarHBondContact CB-OE2 3.44Å; P236-E266 HydrophobicContact CG-CB 4.05Å; P236-L267 HydrophobicContact CB-CD1 4.41Å; P236-L267 HydrophobicContact CB-CD2 4.19Å; P236-L267 HydrophobicContact CB-CG 3.94Å; P236-L267 HydrophobicContact CG-CD2 3.87Å; P236-L267 HydrophobicContact CG-CG 4.15Å
237K98.3Very high98.2Very high165 Ų16550.8 Ų50.872%0.71723%0.23SC*.Hα-helixtrans-59.9-42175.2-63.2-173.7179178.20112.5N235 K241 L267N235-K237 VanDerWaalsContact C-N 3.28Å; N235-K237 PolarHBondContact O-N 3.32Å; K237-K241 PolarHBondContact O-N 2.9Å; K237-K241 VanDerWaalsContact O-N 3.13Å; K237-L267 HydrophobicContact CG-CD1 4.44Å; K237-L267 HydrophobicContact CG-CD2 3.72Å
238K98.2Very high98.1Very high99 Ų9958 Ų5843%0.4326%0.264SS..Hα-helixtrans-75-39.2177.4-70.3176.6-175.3159.20111E230 N235 P236 L240 K241 Y242E230-K238 HydrophobicContact CB-CB 4.12Å; E230-K238 HydrophobicContact CG-CB 3.89Å; E230-K238 WeakPolarHBondContact OE2-CD 3.43Å; N235-K238 HydrophobicContact CB-CB 4.31Å; N235-K238 HydrophobicContact CB-CD 4.31Å; N235-K238 PolarHBondContact O-N 3.3Å; P236-K238 VanDerWaalsContact C-N 3.34Å; P236-K238 PolarHBondContact O-N 2.65Å; K238-L240 VanDerWaalsContact C-N 3.3Å; K238-L240 PolarHBondContact O-N 2.86Å; K238-K241 WeakPolarHBondContact O-CB 2.97Å; K238-K241 PolarHBondContact O-N 3.31Å; K238-Y242 WeakPolarHBondContact O-CD2 3.47Å; K238-Y242 PolarHBondContact O-N 3.44Å
239A98.6Very high98Very high0 Ų058.7 Ų58.70%027%0.267CS..Hα-helixtrans-56.5-46.1174.400000112S227 E230 L231 N235 P236 Y242 G243 A263S227-A239 WeakPolarHBondContact CB-O 3.45Å; S227-A239 WeakPolarHBondContact O-CB 3.44Å; S227-A239 PolarHBondContact OG-O 3.47Å; E230-A239 HydrophobicContact CB-CB 3.98Å; L231-A239 HydrophobicContact CD2-CB 3.67Å; L231-A239 HydrophobicContact CG-CB 3.62Å; N235-A239 PolarHBondContact O-N 2.88Å; P236-A239 WeakPolarHBondContact O-CB 3.38Å; P236-A239 PolarHBondContact O-N 2.91Å; A239-Y242 PolarHBondContact O-N 2.64Å; A239-G243 PolarHBondContact O-N 2.91Å; A239-A263 HydrophobicContact CB-CB 4.21Å
240L98.3Very high97.9Very high16 Ų1661.3 Ų61.38%0.08428%0.281CS..Hα-helixtrans-63.3-44.2176.6-176.763000111.6P236 K238 Y242 G243 K244 C260 A263 Y264 L267P236-L240 WeakPolarHBondContact O-CB 3.47Å; P236-L240 PolarHBondContact O-N 2.88Å; K238-L240 VanDerWaalsContact C-N 3.3Å; K238-L240 PolarHBondContact O-N 2.86Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 2.73Å; L240-G243 PolarHBondContact O-N 2.94Å; L240-K244 HydrophobicContact CD1-CD 4.48Å; L240-K244 HydrophobicContact CD1-CG 4.31Å; L240-K244 HydrophobicContact CG-CD 4.32Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.3Å; L240-K244 PolarHBondContact O-N 3.37Å; L240-C260 HydrophobicContact CD1-CB 3.95Å; L240-A263 HydrophobicContact CB-CB 3.91Å; L240-A263 HydrophobicContact CD1-CB 4.48Å; L240-Y264 HydrophobicContact CD1-CD1 4.33Å; L240-Y264 HydrophobicContact CD1-CD2 3.85Å; L240-Y264 HydrophobicContact CD1-CE1 4.04Å; L240-Y264 HydrophobicContact CD1-CE2 3.48Å; L240-Y264 VanDerWaalsContact CD1-CE2 3.48Å; L240-Y264 HydrophobicContact CD1-CG 4.27Å; L240-Y264 HydrophobicContact CD2-CD1 3.85Å; L240-Y264 HydrophobicContact CD2-CE1 3.37Å; L240-Y264 HydrophobicContact CD2-CE2 4.38Å; L240-Y264 HydrophobicContact CG-CE1 4.35Å; L240-L267 HydrophobicContact CD2-CD1 4.12Å
241K98.4Very high97.7Very high126 Ų12665.9 Ų65.955%0.54831%0.313SS..Hα-helixtrans-55.3-46.9175.7178.7179.8179.8173.60111.8K237 K238 K245K237-K241 PolarHBondContact O-N 2.9Å; K237-K241 VanDerWaalsContact O-N 3.13Å; K238-K241 WeakPolarHBondContact O-CB 2.97Å; K238-K241 PolarHBondContact O-N 3.31Å; K241-K245 WeakPolarHBondContact O-CG 3.49Å; K241-K245 PolarHBondContact O-N 3.13Å
242Y98.5Very high97.5Very high22 Ų2267.2 Ų67.29%0.08633%0.326CS..Hα-helixtrans-72.6-35.8178.2-69.6-58.2000112.8K195 M198 Y223 L226 E230 K238 A239 L240 K245 A246K195-Y242 VanDerWaalsContact CE-OH 3.3Å; K195-Y242 WeakPolarHBondContact CE-OH 3.48Å; M198-Y242 HydrophobicContact CE-CE1 4.39Å; M198-Y242 HydrophobicContact SD-CE1 3.98Å; Y223-Y242 AromaticContact CD1-CD1 3.67Å; Y223-Y242 HydrophobicContact CD1-CD1 3.67Å; Y223-Y242 HydrophobicContact CD1-CE1 4.31Å; Y223-Y242 HydrophobicContact CE1-CD1 4.11Å; Y223-Y242 HydrophobicContact CE1-CE1 4.41Å; L226-Y242 HydrophobicContact CB-CD1 4.18Å; L226-Y242 HydrophobicContact CB-CD2 3.74Å; L226-Y242 HydrophobicContact CB-CE1 4.42Å; L226-Y242 HydrophobicContact CB-CE2 4.01Å; L226-Y242 HydrophobicContact CB-CG 3.82Å; L226-Y242 HydrophobicContact CD1-CD1 4.18Å; L226-Y242 HydrophobicContact CD1-CE1 3.82Å; L226-Y242 HydrophobicContact CD1-CE2 4.47Å; L226-Y242 HydrophobicContact CD2-CE2 4.47Å; E230-Y242 HydrophobicContact CG-CD2 4.03Å; E230-Y242 HydrophobicContact CG-CE2 4Å; K238-Y242 WeakPolarHBondContact O-CD2 3.47Å; K238-Y242 PolarHBondContact O-N 3.44Å; A239-Y242 PolarHBondContact O-N 2.64Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 2.73Å; Y242-K245 PolarHBondContact O-N 3.17Å; Y242-A246 PolarHBondContact O-N 3.09Å
243G98.4Very high97.5Very high1 Ų161.6 Ų61.61%0.0131%0.307CS..Hα-helixtrans-60.1-46.5174.300000112A239 L240 K245 A246 L247 C260A239-G243 PolarHBondContact O-N 2.91Å; L240-G243 PolarHBondContact O-N 2.94Å; G243-K245 PolarHBondContact O-N 3.38Å; G243-A246 WeakPolarHBondContact O-CB 3.43Å; G243-A246 PolarHBondContact O-N 3.4Å; G243-A246 VanDerWaalsContact O-N 3.11Å; G243-L247 WeakPolarHBondContact O-CG 3.33Å; G243-L247 PolarHBondContact O-N 2.81Å; G243-C260 VanDerWaalsContact C-SG 3.52Å
244K98.1Very high97.5Very high90 Ų9061.3 Ų61.339%0.39131%0.307SS..Hα-helixtrans-60.2-43174.8-72.3-177177.1-175.60112.5L240 A246 L247 E248 Y264L240-K244 HydrophobicContact CD1-CD 4.48Å; L240-K244 HydrophobicContact CD1-CG 4.31Å; L240-K244 HydrophobicContact CG-CD 4.32Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.3Å; L240-K244 PolarHBondContact O-N 3.37Å; K244-A246 VanDerWaalsContact C-N 3.28Å; K244-A246 PolarHBondContact O-N 3.2Å; K244-L247 CarbonylContact O-C 3.57Å; K244-L247 WeakPolarHBondContact O-CA 3.24Å; K244-L247 WeakPolarHBondContact O-CB 3.24Å; K244-L247 PolarHBondContact O-N 2.82Å; K244-E248 WeakPolarHBondContact O-CG 3.28Å; K244-E248 PolarHBondContact O-N 2.64Å; K244-Y264 WeakPolarHBondContact CE-OH 3.41Å; K244-Y264 PolarHBondContact NZ-OH 3.22Å
245K97.7Very high97.4Very high41 Ų4159.4 Ų59.418%0.17830%0.295CS..Hα-helixtrans-61.6-33.5173.8-72.9-175.8173-151.30113.8Y223 K241 Y242 G243Y223-K245 HydrophobicContact CD1-CB 4.18Å; Y223-K245 HydrophobicContact CD1-CD 4.31Å; Y223-K245 HydrophobicContact CD2-CB 3.82Å; Y223-K245 HydrophobicContact CE1-CB 4.2Å; Y223-K245 HydrophobicContact CE1-CD 3.73Å; Y223-K245 HydrophobicContact CE2-CB 3.83Å; Y223-K245 HydrophobicContact CE2-CD 4.42Å; Y223-K245 HydrophobicContact CG-CB 4.01Å; K241-K245 WeakPolarHBondContact O-CG 3.49Å; K241-K245 PolarHBondContact O-N 3.13Å; Y242-K245 PolarHBondContact O-N 3.17Å; G243-K245 PolarHBondContact O-N 3.38Å
246A98.1Very high97.4Very high0 Ų056.5 Ų56.50%028%0.28CS..Hα-helixtrans-68.2-37.5171.900000111.4L220 L224 Y242 G243 K244 I249 D250 A256L220-A246 HydrophobicContact CD1-CB 3.77Å; L224-A246 HydrophobicContact CD2-CB 3.97Å; L224-A246 HydrophobicContact CG-CB 4.28Å; Y242-A246 PolarHBondContact O-N 3.09Å; G243-A246 WeakPolarHBondContact O-CB 3.43Å; G243-A246 PolarHBondContact O-N 3.4Å; G243-A246 VanDerWaalsContact O-N 3.11Å; K244-A246 VanDerWaalsContact C-N 3.28Å; K244-A246 PolarHBondContact O-N 3.2Å; A246-I249 PolarHBondContact O-N 3.05Å; A246-D250 PolarHBondContact O-N 2.89Å; A246-A256 HydrophobicContact CB-CB 3.78Å
247L97.4Very high97.5Very high33 Ų3355.7 Ų55.717%0.17328%0.275CS..Hα-helixtrans-71.7-27.6176.2-64.4171.5000113.7G243 K244 I249 D250 S251 A256 L257G243-L247 WeakPolarHBondContact O-CG 3.33Å; G243-L247 PolarHBondContact O-N 2.81Å; K244-L247 CarbonylContact O-C 3.57Å; K244-L247 WeakPolarHBondContact O-CA 3.24Å; K244-L247 WeakPolarHBondContact O-CB 3.24Å; K244-L247 PolarHBondContact O-N 2.82Å; L247-I249 PolarHBondContact O-N 3.47Å; L247-D250 WeakPolarHBondContact CA-O 3.39Å; L247-D250 CarbonylContact O-C 3.51Å; L247-S251 WeakPolarHBondContact O-CA 3.31Å; L247-S251 PolarHBondContact O-N 2.98Å; L247-A256 HydrophobicContact CD2-CB 3.63Å; L247-A256 HydrophobicContact CG-CB 3.81Å; L247-L257 HydrophobicContact CD1-CD2 3.99Å; L247-L257 HydrophobicContact CD2-CD2 3.7Å; L247-L257 HydrophobicContact CD2-CG 3.72Å
248E96.1Very high97.5Very high151 Ų15149.6 Ų49.671%0.70625%0.248SC*.Hα-helixtrans-62.6-29170.1-72.7164.4-161.500111.7K244K244-E248 WeakPolarHBondContact O-CG 3.28Å; K244-E248 PolarHBondContact O-N 2.64Å
249I95.6Very high97.5Very high48 Ų4846 Ų4625%0.24623%0.232CC..Hα-helixtrans-89-46.4177.4-61.1163.9000110.9Q216 L219 L220 Y223 A246 L247Q216-I249 HydrophobicContact CB-CD1 4.46Å; Q216-I249 HydrophobicContact CB-CG1 4.27Å; Q216-I249 HydrophobicContact CB-CG2 4.16Å; Q216-I249 HydrophobicContact CG-CG1 4.49Å; L219-I249 HydrophobicContact CB-CD1 4.16Å; L220-I249 HydrophobicContact CB-CD1 4.33Å; L220-I249 HydrophobicContact CB-CG2 4.26Å; L220-I249 HydrophobicContact CD1-CB 4.49Å; Y223-I249 HydrophobicContact CD2-CD1 3.77Å; Y223-I249 HydrophobicContact CE2-CD1 3.82Å; A246-I249 PolarHBondContact O-N 3.05Å; L247-I249 PolarHBondContact O-N 3.47Å
250D96.4Very high97.4Very high55 Ų5546 Ų4629%0.29423%0.232SC..  trans-136.393.4179.4172.911.5000109.1L220 A246 L247 A252 N253L220-D250 HydrophobicContact CD2-CB 4.16Å; A246-D250 PolarHBondContact O-N 2.89Å; L247-D250 WeakPolarHBondContact CA-O 3.39Å; L247-D250 CarbonylContact O-C 3.51Å; D250-A252 PolarHBondContact O-N 3.13Å; D250-A252 PolarHBondContact OD1-N 2.8Å; D250-A252 VanDerWaalsContact OD1-N 3.17Å; D250-N253 HydrophobicContact CB-CB 4.04Å; D250-N253 VanDerWaalsContact O-CB 3.22Å; D250-N253 WeakPolarHBondContact O-CB 3.31Å; D250-N253 PolarHBondContact O-N 3.06Å; D250-N253 PolarHBondContact OD1-N 3.1Å; D250-N253 VanDerWaalsContact OD2-CB 3.26Å; D250-N253 WeakPolarHBondContact OD2-CB 3.37Å; D250-N253 PolarHBondContact OD2-ND2 2.86Å
251S95.6Very high97.4Very high96 Ų9645.3 Ų45.367%0.67123%0.228SC*.THydrogen-bonded Turntrans-64.6-20.3-176.361.70000113.4L247L247-S251 WeakPolarHBondContact O-CA 3.31Å; L247-S251 PolarHBondContact O-N 2.98Å
252A94.6Very high97.4Very high42 Ų4241.6 Ų41.635%0.34721%0.213SC..THydrogen-bonded Turntrans-95.55178.300000113D250 T254D250-A252 PolarHBondContact O-N 3.13Å; D250-A252 PolarHBondContact OD1-N 2.8Å; D250-A252 VanDerWaalsContact OD1-N 3.17Å; A252-T254 PolarHBondContact O-N 2.85Å
253N97.5Very high97.4Very high24 Ų2440.6 Ų40.613%0.12821%0.209CC..  trans-65.9107.2-174-161.9-82.1000112.3D250 K255 A256 L257D250-N253 HydrophobicContact CB-CB 4.04Å; D250-N253 VanDerWaalsContact O-CB 3.22Å; D250-N253 WeakPolarHBondContact O-CB 3.31Å; D250-N253 PolarHBondContact O-N 3.06Å; D250-N253 PolarHBondContact OD1-N 3.1Å; D250-N253 VanDerWaalsContact OD2-CB 3.26Å; D250-N253 WeakPolarHBondContact OD2-CB 3.37Å; D250-N253 PolarHBondContact OD2-ND2 2.86Å; N253-K255 VanDerWaalsContact C-N 3.27Å; N253-K255 PolarHBondContact O-N 3.09Å; N253-K255 WeakPolarHBondContact OD1-CB 3.46Å; N253-K255 PolarHBondContact OD1-N 2.82Å; N253-A256 HydrophobicContact CB-CB 3.95Å; N253-A256 PolarHBondContact O-N 3.34Å; N253-A256 VanDerWaalsContact O-N 3.1Å; N253-A256 PolarHBondContact OD1-N 2.74Å; N253-A256 VanDerWaalsContact OD1-N 3.14Å; N253-L257 WeakPolarHBondContact O-CG 3.17Å; N253-L257 PolarHBondContact O-N 3.35Å
254T97.1Very high97.4Very high29 Ų2941.7 Ų41.718%0.17821%0.213CC..Hα-helixtrans-59.3-36-176.2-41.20000113A252 F258 A280 K283 K284 I290A252-T254 PolarHBondContact O-N 2.85Å; T254-F258 VanDerWaalsContact O-CB 3.27Å; T254-F258 WeakPolarHBondContact O-CB 3.43Å; T254-F258 PolarHBondContact O-N 2.79Å; T254-A280 HydrophobicContact CG2-CB 4.1Å; T254-K283 HydrophobicContact CG2-CB 4.44Å; T254-K284 HydrophobicContact CG2-CB 4.37Å; T254-K284 HydrophobicContact CG2-CD 3.99Å; T254-K284 HydrophobicContact CG2-CG 4.02Å; T254-I290 HydrophobicContact CG2-CD1 3.95Å
255K97.4Very high97.4Very high127 Ų12739.7 Ų39.755%0.55221%0.205SC*.Hα-helixtrans-69.3-39.2179.2-68.2179.7-179.8175.70111.4L224 N253 R259L224-K255 HydrophobicContact CD2-CB 4.02Å; N253-K255 VanDerWaalsContact C-N 3.27Å; N253-K255 PolarHBondContact O-N 3.09Å; N253-K255 WeakPolarHBondContact OD1-CB 3.46Å; N253-K255 PolarHBondContact OD1-N 2.82Å; K255-R259 WeakPolarHBondContact O-CB 3.24Å; K255-R259 VanDerWaalsContact O-CD 3.26Å; K255-R259 WeakPolarHBondContact O-CD 3.44Å; K255-R259 WeakPolarHBondContact O-CG 3.47Å; K255-R259 PolarHBondContact O-N 3.11Å; K255-R259 VanDerWaalsContact O-N 3.14Å
256A98.1Very high97.3Very high0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-68-47.5176.600000111.1L224 A246 L247 N253 F258 R259 C260L224-A256 HydrophobicContact CD2-CB 3.76Å; A246-A256 HydrophobicContact CB-CB 3.78Å; L247-A256 HydrophobicContact CD2-CB 3.63Å; L247-A256 HydrophobicContact CG-CB 3.81Å; N253-A256 HydrophobicContact CB-CB 3.95Å; N253-A256 PolarHBondContact O-N 3.34Å; N253-A256 VanDerWaalsContact O-N 3.1Å; N253-A256 PolarHBondContact OD1-N 2.74Å; N253-A256 VanDerWaalsContact OD1-N 3.14Å; A256-F258 PolarHBondContact O-N 3.44Å; A256-R259 PolarHBondContact O-N 2.98Å; A256-C260 WeakPolarHBondContact O-CB 3.17Å; A256-C260 PolarHBondContact O-N 2.88Å; A256-C260 PolarHBondContact O-SG 3.39Å; A256-C260 VanDerWaalsContact O-SG 3.34Å
257L98.3Very high97.2Very high5 Ų544.1 Ų44.13%0.02623%0.227CC..Hα-helixtrans-56.1-48.8176.5-70.8171.5000111.7L247 N253 R259 C260 G261 M279 A280L247-L257 HydrophobicContact CD1-CD2 3.99Å; L247-L257 HydrophobicContact CD2-CD2 3.7Å; L247-L257 HydrophobicContact CD2-CG 3.72Å; N253-L257 WeakPolarHBondContact O-CG 3.17Å; N253-L257 PolarHBondContact O-N 3.35Å; L257-R259 PolarHBondContact O-N 3.32Å; L257-C260 PolarHBondContact O-N 2.68Å; L257-G261 PolarHBondContact O-N 3.2Å; L257-M279 HydrophobicContact CD1-CB 3.84Å; L257-M279 HydrophobicContact CD2-CB 4.16Å; L257-M279 HydrophobicContact CD2-CE 3.91Å; L257-M279 HydrophobicContact CD2-SD 4.43Å; L257-A280 HydrophobicContact CB-CB 3.83Å
258F98.3Very high97.1Very high37 Ų3749.6 Ų49.616%0.16225%0.252CS..Hα-helixtrans-60.1-44.6178.3178.6-114.3000112.3T254 A256 G261 Q262 L277 D289 I290 L293T254-F258 VanDerWaalsContact O-CB 3.27Å; T254-F258 WeakPolarHBondContact O-CB 3.43Å; T254-F258 PolarHBondContact O-N 2.79Å; A256-F258 PolarHBondContact O-N 3.44Å; F258-G261 PolarHBondContact O-N 2.98Å; F258-Q262 HydrophobicContact CE1-CG 4.27Å; F258-Q262 HydrophobicContact CE2-CG 4.48Å; F258-Q262 HydrophobicContact CZ-CG 4.21Å; F258-Q262 WeakPolarHBondContact O-CG 3.17Å; F258-Q262 PolarHBondContact O-N 2.68Å; F258-L277 HydrophobicContact CD2-CD2 3.71Å; F258-L277 HydrophobicContact CE2-CD2 4.27Å; F258-D289 HydrophobicContact CE2-CB 4.31Å; F258-D289 HydrophobicContact CZ-CB 3.86Å; F258-I290 HydrophobicContact CD2-CB 4.4Å; F258-I290 HydrophobicContact CD2-CG1 3.66Å; F258-I290 HydrophobicContact CE2-CG1 4.1Å; F258-I290 HydrophobicContact CG-CG1 4.31Å; F258-L293 HydrophobicContact CD2-CD2 4.23Å; F258-L293 HydrophobicContact CE2-CB 4.2Å; F258-L293 HydrophobicContact CE2-CD2 3.67Å; F258-L293 HydrophobicContact CZ-CD2 4.26Å
259R98.2Very high97.1Very high23 Ų2346.8 Ų46.89%0.08724%0.239CC..Hα-helixtrans-68.9-35.9178.7-70.2165.8-175.4163.3-13.6113.1L224 L231 K255 A256 L257 G261 Q262 A263L224-R259 VanDerWaalsContact CD2-NH1 3.26Å; L224-R259 VanDerWaalsContact O-CZ 3.23Å; L224-R259 PolarHBondContact O-NH1 3.07Å; L231-R259 HydrophobicContact CD1-CB 4.05Å; L231-R259 HydrophobicContact CD1-CG 4.12Å; K255-R259 WeakPolarHBondContact O-CB 3.24Å; K255-R259 VanDerWaalsContact O-CD 3.26Å; K255-R259 WeakPolarHBondContact O-CD 3.44Å; K255-R259 WeakPolarHBondContact O-CG 3.47Å; K255-R259 PolarHBondContact O-N 3.11Å; K255-R259 VanDerWaalsContact O-N 3.14Å; A256-R259 PolarHBondContact O-N 2.98Å; L257-R259 PolarHBondContact O-N 3.32Å; R259-G261 VanDerWaalsContact C-N 3.32Å; R259-Q262 WeakPolarHBondContact O-CB 3.45Å; R259-Q262 PolarHBondContact O-N 2.91Å; R259-A263 WeakPolarHBondContact O-CB 3.39Å; R259-A263 PolarHBondContact O-N 3.09Å
260C98.3Very high97Very high1 Ų146.1 Ų46.11%0.00723%0.234CC..Hα-helixtrans-61.5-43.7170.1-72.10000110.6L240 G243 A256 L257 Q262 A263 Y264 C276L240-C260 HydrophobicContact CD1-CB 3.95Å; G243-C260 VanDerWaalsContact C-SG 3.52Å; A256-C260 WeakPolarHBondContact O-CB 3.17Å; A256-C260 PolarHBondContact O-N 2.88Å; A256-C260 PolarHBondContact O-SG 3.39Å; A256-C260 VanDerWaalsContact O-SG 3.34Å; L257-C260 PolarHBondContact O-N 2.68Å; C260-Q262 PolarHBondContact O-N 3.17Å; C260-A263 PolarHBondContact O-N 2.91Å; C260-Y264 HydrophobicContact CB-CD2 4.47Å; C260-Y264 WeakPolarHBondContact O-CB 3.43Å; C260-Y264 WeakPolarHBondContact O-CD2 3.15Å; C260-Y264 PolarHBondContact O-N 3.15Å; C260-C276 HydrophobicContact CB-CB 4.43Å
261G98Very high96.9Very high0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-58.5-43.6173.700000113.1L257 F258 R259 H265L257-G261 PolarHBondContact O-N 3.2Å; F258-G261 PolarHBondContact O-N 2.98Å; R259-G261 VanDerWaalsContact C-N 3.32Å; G261-H265 WeakPolarHBondContact O-CB 3.49Å; G261-H265 PolarHBondContact O-N 3.5Å
262Q98.3Very high97Very high49 Ų4946.3 Ų46.323%0.22923%0.227CC..Hα-helixtrans-59.5-48.8172.7-70.9177.7-56.900111.9L231 F258 R259 C260 H265 E266 L293L231-Q262 HydrophobicContact CD1-CB 3.88Å; L231-Q262 HydrophobicContact CD2-CB 4.22Å; F258-Q262 HydrophobicContact CE1-CG 4.27Å; F258-Q262 HydrophobicContact CE2-CG 4.48Å; F258-Q262 HydrophobicContact CZ-CG 4.21Å; F258-Q262 WeakPolarHBondContact O-CG 3.17Å; F258-Q262 PolarHBondContact O-N 2.68Å; R259-Q262 WeakPolarHBondContact O-CB 3.45Å; R259-Q262 PolarHBondContact O-N 2.91Å; C260-Q262 PolarHBondContact O-N 3.17Å; Q262-H265 WeakPolarHBondContact O-CB 3.43Å; Q262-H265 PolarHBondContact O-N 2.97Å; Q262-E266 PolarHBondContact O-N 3.25Å; Q262-L293 HydrophobicContact CB-CD2 4.32Å; Q262-L293 HydrophobicContact CG-CD2 3.4Å
263A98.3Very high97.1Very high0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-63.8-43.7-179.400000112.3L231 P236 A239 L240 R259 C260 H265 E266 L267L231-A263 HydrophobicContact CD2-CB 3.99Å; P236-A263 HydrophobicContact CB-CB 4.28Å; A239-A263 HydrophobicContact CB-CB 4.21Å; L240-A263 HydrophobicContact CB-CB 3.91Å; L240-A263 HydrophobicContact CD1-CB 4.48Å; R259-A263 WeakPolarHBondContact O-CB 3.39Å; R259-A263 PolarHBondContact O-N 3.09Å; C260-A263 PolarHBondContact O-N 2.91Å; A263-H265 VanDerWaalsContact C-N 3.33Å; A263-E266 PolarHBondContact O-N 3.29Å; A263-L267 VanDerWaalsContact O-CG 3.25Å; A263-L267 WeakPolarHBondContact O-CG 3.42Å; A263-L267 PolarHBondContact O-N 3.3Å
264Y98.4Very high97Very high24 Ų2446.7 Ų46.79%0.09422%0.221CC..Hα-helixtrans-64.1-38.6176.2-80-54.5000112.2L240 K244 C260 L267 Q268 E269L240-Y264 HydrophobicContact CD1-CD1 4.33Å; L240-Y264 HydrophobicContact CD1-CD2 3.85Å; L240-Y264 HydrophobicContact CD1-CE1 4.04Å; L240-Y264 HydrophobicContact CD1-CE2 3.48Å; L240-Y264 VanDerWaalsContact CD1-CE2 3.48Å; L240-Y264 HydrophobicContact CD1-CG 4.27Å; L240-Y264 HydrophobicContact CD2-CD1 3.85Å; L240-Y264 HydrophobicContact CD2-CE1 3.37Å; L240-Y264 HydrophobicContact CD2-CE2 4.38Å; L240-Y264 HydrophobicContact CG-CE1 4.35Å; K244-Y264 WeakPolarHBondContact CE-OH 3.41Å; K244-Y264 PolarHBondContact NZ-OH 3.22Å; C260-Y264 HydrophobicContact CB-CD2 4.47Å; C260-Y264 WeakPolarHBondContact O-CB 3.43Å; C260-Y264 WeakPolarHBondContact O-CD2 3.15Å; C260-Y264 PolarHBondContact O-N 3.15Å; Y264-L267 CarbonylContact O-C 3.02Å; Y264-L267 PolarHBondContact O-N 3.01Å; Y264-Q268 PolarHBondContact O-N 2.73Å; Y264-E269 HydrophobicContact CD1-CB 3.77Å; Y264-E269 HydrophobicContact CD1-CG 4.4Å; Y264-E269 VanDerWaalsContact CD1-OE2 3.31Å; Y264-E269 WeakPolarHBondContact CD1-OE2 3.3Å; Y264-E269 HydrophobicContact CE1-CB 4.5Å; Y264-E269 WeakPolarHBondContact CE1-OE2 3.35Å; Y264-E269 HydrophobicContact CG-CB 4.49Å; Y264-E269 PolarHBondContact O-N 3.36Å
265H97.1Very high97Very high49 Ų4950 Ų5023%0.22724%0.237CC..Hα-helixtrans-61-45173.9178.455.3000112G261 Q262 A263 L267 Q268 F270 A273 V297G261-H265 WeakPolarHBondContact O-CB 3.49Å; G261-H265 PolarHBondContact O-N 3.5Å; Q262-H265 WeakPolarHBondContact O-CB 3.43Å; Q262-H265 PolarHBondContact O-N 2.97Å; A263-H265 VanDerWaalsContact C-N 3.33Å; H265-L267 VanDerWaalsContact C-N 3.26Å; H265-L267 PolarHBondContact O-N 2.97Å; H265-Q268 PolarHBondContact O-N 3.41Å; H265-Q268 VanDerWaalsContact O-N 3.08Å; H265-F270 AromaticContact ND1-CE1 3.84Å; H265-A273 HydrophobicContact CB-CB 4.39Å; H265-V297 HydrophobicContact CB-CG2 3.92Å
266E96.5Very high97Very high91 Ų9144.5 Ų44.543%0.42522%0.215SC..Hα-helixtrans-63.9-30.5174.6-72.9177.3-160.800112.7P236 Q262 A263 Q268P236-E266 HydrophobicContact CB-CB 3.83Å; P236-E266 WeakPolarHBondContact CB-OE2 3.44Å; P236-E266 HydrophobicContact CG-CB 4.05Å; Q262-E266 PolarHBondContact O-N 3.25Å; A263-E266 PolarHBondContact O-N 3.29Å; E266-Q268 VanDerWaalsContact C-N 3.27Å; E266-Q268 PolarHBondContact O-N 2.98Å
267L96.6Very high96.9Very high42 Ų4244.5 Ų44.522%0.2222%0.215CC..THydrogen-bonded Turntrans-81.6-1.5174.7-67.4168.5000113.8P236 K237 L240 A263 Y264 H265 E269P236-L267 HydrophobicContact CB-CD1 4.41Å; P236-L267 HydrophobicContact CB-CD2 4.19Å; P236-L267 HydrophobicContact CB-CG 3.94Å; P236-L267 HydrophobicContact CG-CD2 3.87Å; P236-L267 HydrophobicContact CG-CG 4.15Å; K237-L267 HydrophobicContact CG-CD1 4.44Å; K237-L267 HydrophobicContact CG-CD2 3.72Å; L240-L267 HydrophobicContact CD2-CD1 4.12Å; A263-L267 VanDerWaalsContact O-CG 3.25Å; A263-L267 WeakPolarHBondContact O-CG 3.42Å; A263-L267 PolarHBondContact O-N 3.3Å; Y264-L267 CarbonylContact O-C 3.02Å; Y264-L267 PolarHBondContact O-N 3.01Å; H265-L267 VanDerWaalsContact C-N 3.26Å; H265-L267 PolarHBondContact O-N 2.97Å; L267-E269 HydrophobicContact CB-CG 4.33Å; L267-E269 PolarHBondContact O-N 3.49Å
268Q94.8Very high96.9Very high148 Ų14848 Ų4869%0.69223%0.233SC*.THydrogen-bonded Turntrans6120.5-174.5-52.4179.37.400114.1Y264 H265 E266 F270Y264-Q268 PolarHBondContact O-N 2.73Å; H265-Q268 PolarHBondContact O-N 3.41Å; H265-Q268 VanDerWaalsContact O-N 3.08Å; E266-Q268 VanDerWaalsContact C-N 3.27Å; E266-Q268 PolarHBondContact O-N 2.98Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; Q268-F270 HydrophobicContact CB-CE1 4.39Å; Q268-F270 HydrophobicContact CB-CE2 4.04Å; Q268-F270 HydrophobicContact CB-CZ 3.8Å; Q268-F270 HydrophobicContact CG-CZ 4.11Å; Q268-F270 WeakPolarHBondContact O-CD2 3.36Å; Q268-F270 PolarHBondContact O-N 2.96Å
269E95.7Very high96.8Very high92 Ų9250.7 Ų50.743%0.4325%0.247SC..  trans-8971.1172.3-68.6-175.7-146.600109.4Y264 L267 E271 S272 A273Y264-E269 HydrophobicContact CD1-CB 3.77Å; Y264-E269 HydrophobicContact CD1-CG 4.4Å; Y264-E269 VanDerWaalsContact CD1-OE2 3.31Å; Y264-E269 WeakPolarHBondContact CD1-OE2 3.3Å; Y264-E269 HydrophobicContact CE1-CB 4.5Å; Y264-E269 WeakPolarHBondContact CE1-OE2 3.35Å; Y264-E269 HydrophobicContact CG-CB 4.49Å; Y264-E269 PolarHBondContact O-N 3.36Å; L267-E269 HydrophobicContact CB-CG 4.33Å; L267-E269 PolarHBondContact O-N 3.49Å; E269-E271 PolarHBondContact O-N 3.16Å; E269-S272 PolarHBondContact O-N 3.28Å; E269-A273 PolarHBondContact O-N 2.91Å
270F94.7Very high96.7Very high34 Ų3449.6 Ų49.615%0.14924%0.243CC..Hα-helixtrans-66.5-34.6-165.9-57-61.6000114.7H265 Q268 A273 Q274 V297 A300 Y301H265-F270 AromaticContact ND1-CE1 3.84Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; Q268-F270 HydrophobicContact CB-CE1 4.39Å; Q268-F270 HydrophobicContact CB-CE2 4.04Å; Q268-F270 HydrophobicContact CB-CZ 3.8Å; Q268-F270 HydrophobicContact CG-CZ 4.11Å; Q268-F270 WeakPolarHBondContact O-CD2 3.36Å; Q268-F270 PolarHBondContact O-N 2.96Å; F270-A273 WeakPolarHBondContact O-CB 3.43Å; F270-A273 PolarHBondContact O-N 3.11Å; F270-Q274 WeakPolarHBondContact O-CB 3.27Å; F270-Q274 PolarHBondContact O-N 2.95Å; F270-V297 HydrophobicContact CB-CG1 4.18Å; F270-V297 HydrophobicContact CD1-CG1 4.41Å; F270-V297 WeakPolarHBondContact O-CG1 3.04Å; F270-A300 HydrophobicContact CD1-CB 4.16Å; F270-A300 HydrophobicContact CE1-CB 3.57Å; F270-A300 HydrophobicContact CZ-CB 3.91Å; F270-Y301 HydrophobicContact CB-CD2 3.55Å; F270-Y301 HydrophobicContact CB-CE2 4.43Å; F270-Y301 HydrophobicContact CB-CG 4.03Å; F270-Y301 AromaticContact CD2-CD2 3.94Å; F270-Y301 HydrophobicContact CD2-CD2 3.94Å; F270-Y301 HydrophobicContact CG-CD2 4.13Å
271E93.9Very high96.7Very high116 Ų11652.7 Ų52.754%0.54226%0.258SS..Hα-helixtrans-63.4-53.2177.5-65.7178.9175.600110.7E269 A273 Q274 D275 Y301E269-E271 PolarHBondContact O-N 3.16Å; E271-A273 PolarHBondContact O-N 2.82Å; E271-Q274 WeakPolarHBondContact O-CB 3.3Å; E271-Q274 PolarHBondContact O-N 2.82Å; E271-D275 PolarHBondContact O-N 2.79Å; E271-Y301 HydrophobicContact CG-CE2 3.83Å; E271-Y301 PolarHBondContact OE1-OH 3.23Å
272S96.6Very high96.6Very high39 Ų3956.6 Ų56.627%0.27329%0.285SS..Hα-helixtrans-56.5-37.4174-60.80000112.5E269 C276E269-S272 PolarHBondContact O-N 3.28Å; S272-C276 PolarHBondContact O-N 2.88Å; S272-C276 PolarHBondContact O-SG 2.68Å
273A97.1Very high96.5Very high0 Ų060.1 Ų60.10%030%0.299CS..Hα-helixtrans-64.2-47.1175.600000111.3H265 E269 F270 E271 C276 L277 V297H265-A273 HydrophobicContact CB-CB 4.39Å; E269-A273 PolarHBondContact O-N 2.91Å; F270-A273 WeakPolarHBondContact O-CB 3.43Å; F270-A273 PolarHBondContact O-N 3.11Å; E271-A273 PolarHBondContact O-N 2.82Å; A273-C276 PolarHBondContact O-N 2.8Å; A273-L277 WeakPolarHBondContact O-CB 3.04Å; A273-L277 WeakPolarHBondContact O-CD1 3.24Å; A273-L277 WeakPolarHBondContact O-CG 3.29Å; A273-L277 PolarHBondContact O-N 2.97Å; A273-V297 HydrophobicContact CB-CG1 4.05Å; A273-V297 HydrophobicContact CB-CG2 4.1Å
274Q96.1Very high96.3Very high74 Ų7465 Ų6535%0.34632%0.32SS..Hα-helixtrans-61.4-46.1179.6-177.31721.700111.4F270 E271 C276 L277 I278 V297F270-Q274 WeakPolarHBondContact O-CB 3.27Å; F270-Q274 PolarHBondContact O-N 2.95Å; E271-Q274 WeakPolarHBondContact O-CB 3.3Å; E271-Q274 PolarHBondContact O-N 2.82Å; Q274-C276 PolarHBondContact O-N 2.85Å; Q274-L277 PolarHBondContact O-N 2.85Å; Q274-L277 VanDerWaalsContact O-N 3.17Å; Q274-I278 HydrophobicContact CG-CD1 3.69Å; Q274-I278 HydrophobicContact CG-CG1 4.27Å; Q274-I278 WeakPolarHBondContact O-CG1 3.34Å; Q274-I278 PolarHBondContact O-N 3.36Å; Q274-V297 HydrophobicContact CB-CG1 4.33Å
275D96.3Very high96.1Very high98 Ų9867 Ų6752%0.52434%0.337SS..Hα-helixtrans-58.1-48.5178.2-71.8-17.5000111.9E271 L277 I278 M279E271-D275 PolarHBondContact O-N 2.79Å; D275-L277 VanDerWaalsContact C-N 3.29Å; D275-L277 PolarHBondContact O-N 3.49Å; D275-I278 PolarHBondContact O-N 3.35Å; D275-M279 WeakPolarHBondContact O-CG 3.26Å; D275-M279 PolarHBondContact O-N 2.94Å; D275-M279 VanDerWaalsContact O-N 3.07Å
276C97Very high96Very high13 Ų1374.3 Ų74.39%0.08837%0.368CS..Hα-helixtrans-59-42.4177.2-70.50000111.9C260 S272 A273 Q274 A280C260-C276 HydrophobicContact CB-CB 4.43Å; S272-C276 PolarHBondContact O-N 2.88Å; S272-C276 PolarHBondContact O-SG 2.68Å; A273-C276 PolarHBondContact O-N 2.8Å; Q274-C276 PolarHBondContact O-N 2.85Å; C276-A280 PolarHBondContact O-N 3.14Å
277L97.3Very high96Very high0 Ų072.1 Ų72.10%036%0.359CS..Hα-helixtrans-76.3-33.9-176-67.5169000113.1F258 A273 Q274 D275 A280 Q281 L293 L294 V297F258-L277 HydrophobicContact CD2-CD2 3.71Å; F258-L277 HydrophobicContact CE2-CD2 4.27Å; A273-L277 WeakPolarHBondContact O-CB 3.04Å; A273-L277 WeakPolarHBondContact O-CD1 3.24Å; A273-L277 WeakPolarHBondContact O-CG 3.29Å; A273-L277 PolarHBondContact O-N 2.97Å; Q274-L277 PolarHBondContact O-N 2.85Å; Q274-L277 VanDerWaalsContact O-N 3.17Å; D275-L277 VanDerWaalsContact C-N 3.29Å; D275-L277 PolarHBondContact O-N 3.49Å; L277-A280 PolarHBondContact O-N 3.29Å; L277-Q281 VanDerWaalsContact O-CB 3.29Å; L277-Q281 WeakPolarHBondContact O-CB 3.37Å; L277-Q281 PolarHBondContact O-N 3.37Å; L277-L293 HydrophobicContact CD1-CB 4.34Å; L277-L293 HydrophobicContact CD1-CD2 3.95Å; L277-L293 HydrophobicContact CD1-CG 3.71Å; L277-L293 HydrophobicContact CD2-CD2 3.72Å; L277-L293 HydrophobicContact CD2-CG 4.26Å; L277-L293 HydrophobicContact CG-CD2 4.46Å; L277-L294 HydrophobicContact CB-CD1 4.35Å; L277-L294 HydrophobicContact CB-CD2 3.37Å; L277-L294 HydrophobicContact CB-CG 3.66Å; L277-L294 HydrophobicContact CD1-CD2 4.14Å; L277-L294 HydrophobicContact CD1-CG 4.27Å; L277-L294 HydrophobicContact CG-CD2 4.41Å; L277-V297 HydrophobicContact CD1-CG2 3.91Å
278I97Very high96Very high78 Ų7873.5 Ų73.540%0.437%0.373SS..Hα-helixtrans-63.8-44.5171.5-71171.1000109.7Q274 D275 A280 Q281 S282 L294Q274-I278 HydrophobicContact CG-CD1 3.69Å; Q274-I278 HydrophobicContact CG-CG1 4.27Å; Q274-I278 WeakPolarHBondContact O-CG1 3.34Å; Q274-I278 PolarHBondContact O-N 3.36Å; D275-I278 PolarHBondContact O-N 3.35Å; I278-A280 VanDerWaalsContact C-N 3.31Å; I278-A280 PolarHBondContact O-N 3.02Å; I278-Q281 PolarHBondContact O-N 2.94Å; I278-S282 PolarHBondContact O-N 2.82Å; I278-L294 HydrophobicContact CG1-CD2 4.19Å
279M96.6Very high96Very high94 Ų9471 Ų7146%0.46336%0.364SS..Hα-helixtrans-59.4-43.3173.8-71.6-170.9-75.100111.3L257 D275 S282L257-M279 HydrophobicContact CD1-CB 3.84Å; L257-M279 HydrophobicContact CD2-CB 4.16Å; L257-M279 HydrophobicContact CD2-CE 3.91Å; L257-M279 HydrophobicContact CD2-SD 4.43Å; D275-M279 WeakPolarHBondContact O-CG 3.26Å; D275-M279 PolarHBondContact O-N 2.94Å; D275-M279 VanDerWaalsContact O-N 3.07Å; M279-S282 PolarHBondContact O-N 3.39Å; M279-S282 PolarHBondContact O-OG 2.74Å
280A96.8Very high96.1Very high0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-63.4-44.217600000112.3T254 L257 C276 L277 I278 S282 K283 K284 I290T254-A280 HydrophobicContact CG2-CB 4.1Å; L257-A280 HydrophobicContact CB-CB 3.83Å; C276-A280 PolarHBondContact O-N 3.14Å; L277-A280 PolarHBondContact O-N 3.29Å; I278-A280 VanDerWaalsContact C-N 3.31Å; I278-A280 PolarHBondContact O-N 3.02Å; A280-S282 VanDerWaalsContact C-N 3.33Å; A280-S282 PolarHBondContact O-N 2.65Å; A280-K283 PolarHBondContact O-N 3.35Å; A280-K283 VanDerWaalsContact O-N 3.12Å; A280-K284 PolarHBondContact O-N 3.14Å; A280-I290 HydrophobicContact CB-CD1 3.89Å; A280-I290 HydrophobicContact CB-CG2 4.38Å
281Q97.4Very high96.1Very high66 Ų6666.7 Ų66.731%0.30835%0.345SS..Hα-helixtrans-62.2-39.2178.3-173.3-17151.800111.4L277 I278 K283 K284 P285 I290 N291 L294L277-Q281 VanDerWaalsContact O-CB 3.29Å; L277-Q281 WeakPolarHBondContact O-CB 3.37Å; L277-Q281 PolarHBondContact O-N 3.37Å; I278-Q281 PolarHBondContact O-N 2.94Å; Q281-K283 PolarHBondContact O-N 3.42Å; Q281-K283 VanDerWaalsContact O-N 3.13Å; Q281-K284 CarbonylContact O-C 3.55Å; Q281-K284 PolarHBondContact O-N 3.48Å; Q281-P285 WeakPolarHBondContact O-CA 3.48Å; Q281-P285 WeakPolarHBondContact O-CD 3.07Å; Q281-P285 WeakPolarHBondContact O-CG 3.29Å; Q281-I290 HydrophobicContact CB-CG2 3.89Å; Q281-N291 PolarHBondContact NE2-OD1 2.9Å; Q281-L294 HydrophobicContact CB-CD1 4.12Å; Q281-L294 HydrophobicContact CG-CD1 4.33Å
282S96.6Very high96.3Very high81 Ų8164.5 Ų64.557%0.56634%0.337SS*.Hα-helixtrans-58.2-28.8176.378.80000112.8I278 M279 A280I278-S282 PolarHBondContact O-N 2.82Å; M279-S282 PolarHBondContact O-N 3.39Å; M279-S282 PolarHBondContact O-OG 2.74Å; A280-S282 VanDerWaalsContact C-N 3.33Å; A280-S282 PolarHBondContact O-N 2.65Å
283K95.1Very high96.3Very high124 Ų12463.6 Ų63.654%0.53933%0.329SS..Hα-helixtrans-87.6-31176.3-58.2-59.4-1791800112.7T254 A280 Q281T254-K283 HydrophobicContact CG2-CB 4.44Å; A280-K283 PolarHBondContact O-N 3.35Å; A280-K283 VanDerWaalsContact O-N 3.12Å; Q281-K283 PolarHBondContact O-N 3.42Å; Q281-K283 VanDerWaalsContact O-N 3.13Å
284K95.2Very high96.3Very high101 Ų10164.7 Ų64.744%0.43934%0.335SS..  trans-136.979.8177-67.1-168.5177.4-170.50111.8T254 A280 Q281 F286 D287 I290T254-K284 HydrophobicContact CG2-CB 4.37Å; T254-K284 HydrophobicContact CG2-CD 3.99Å; T254-K284 HydrophobicContact CG2-CG 4.02Å; A280-K284 PolarHBondContact O-N 3.14Å; Q281-K284 CarbonylContact O-C 3.55Å; Q281-K284 PolarHBondContact O-N 3.48Å; K284-F286 VanDerWaalsContact C-N 3.29Å; K284-F286 PolarHBondContact O-N 2.8Å; K284-D287 HydrophobicContact CB-CB 3.95Å; K284-D287 WeakPolarHBondContact O-CB 3.32Å; K284-D287 PolarHBondContact O-N 2.95Å; K284-I290 HydrophobicContact CB-CD1 4.23Å
285P93.6Very high96.3Very high68 Ų6868.9 Ų68.944%0.44235%0.348SS..THydrogen-bonded Turntrans-63.8-31.1-171.7-25.935.2000114.4Q281 N291Q281-P285 WeakPolarHBondContact O-CA 3.48Å; Q281-P285 WeakPolarHBondContact O-CD 3.07Å; Q281-P285 WeakPolarHBondContact O-CG 3.29Å; P285-N291 PolarHBondContact O-ND2 2.98Å
286F94.4Very high96.3Very high201 Ų20170.6 Ų70.688%0.88235%0.35SS*.THydrogen-bonded Turntrans-97.29.9-175.3-54.1-67.1000113.9K284 S288K284-F286 VanDerWaalsContact C-N 3.29Å; K284-F286 PolarHBondContact O-N 2.8Å; F286-S288 PolarHBondContact O-N 3.32Å
287D96.8Very high96.2Very high46 Ų4670 Ų7025%0.24635%0.347CS..  trans-72.5116.9178-168.1-68.4000110.4K284 D289 I290 N291K284-D287 HydrophobicContact CB-CB 3.95Å; K284-D287 WeakPolarHBondContact O-CB 3.32Å; K284-D287 PolarHBondContact O-N 2.95Å; D287-D289 VanDerWaalsContact C-N 3.29Å; D287-D289 PolarHBondContact O-N 2.97Å; D287-D289 WeakPolarHBondContact OD1-CB 3.41Å; D287-D289 PolarHBondContact OD1-N 2.74Å; D287-I290 HydrophobicContact CB-CB 4.24Å; D287-I290 HydrophobicContact CB-CD1 3.79Å; D287-I290 HydrophobicContact CB-CG1 4.01Å; D287-I290 PolarHBondContact OD1-N 3.21Å; D287-N291 WeakPolarHBondContact O-CB 3.29Å; D287-N291 VanDerWaalsContact O-CG 3.28Å; D287-N291 PolarHBondContact O-N 3.1Å; D287-N291 VanDerWaalsContact O-N 3.16Å; D287-N291 PolarHBondContact O-ND2 2.87Å
288S96.4Very high96.1Very high71 Ų7172.3 Ų72.350%0.49737%0.366SS..Hα-helixtrans-63.8-35-176.254.10000112.5F286 N292F286-S288 PolarHBondContact O-N 3.32Å; S288-N292 VanDerWaalsContact O-CB 3.22Å; S288-N292 WeakPolarHBondContact O-CB 3.48Å; S288-N292 PolarHBondContact O-N 2.81Å; S288-N292 PolarHBondContact O-ND2 3.29Å
289D95.7Very high96Very high96 Ų9672.7 Ų72.751%0.51337%0.372SS..Hα-helixtrans-72-43.2-174.9-65.8-24.3000110.6F258 D287 L293F258-D289 HydrophobicContact CE2-CB 4.31Å; F258-D289 HydrophobicContact CZ-CB 3.86Å; D287-D289 VanDerWaalsContact C-N 3.29Å; D287-D289 PolarHBondContact O-N 2.97Å; D287-D289 WeakPolarHBondContact OD1-CB 3.41Å; D287-D289 PolarHBondContact OD1-N 2.74Å; D289-L293 WeakPolarHBondContact O-CB 3.45Å; D289-L293 PolarHBondContact O-N 2.92Å
290I96.8Very high95.8Very high2 Ų269.4 Ų69.41%0.0136%0.359CS..Hα-helixtrans-60.3-50.3174.5-60.2175.7000110.1T254 F258 A280 Q281 K284 D287 N292 L293 L294T254-I290 HydrophobicContact CG2-CD1 3.95Å; F258-I290 HydrophobicContact CD2-CB 4.4Å; F258-I290 HydrophobicContact CD2-CG1 3.66Å; F258-I290 HydrophobicContact CE2-CG1 4.1Å; F258-I290 HydrophobicContact CG-CG1 4.31Å; A280-I290 HydrophobicContact CB-CD1 3.89Å; A280-I290 HydrophobicContact CB-CG2 4.38Å; Q281-I290 HydrophobicContact CB-CG2 3.89Å; K284-I290 HydrophobicContact CB-CD1 4.23Å; D287-I290 HydrophobicContact CB-CB 4.24Å; D287-I290 HydrophobicContact CB-CD1 3.79Å; D287-I290 HydrophobicContact CB-CG1 4.01Å; D287-I290 PolarHBondContact OD1-N 3.21Å; I290-N292 PolarHBondContact O-N 2.79Å; I290-L293 PolarHBondContact O-N 3.2Å; I290-L294 HydrophobicContact CG2-CD1 4.1Å; I290-L294 PolarHBondContact O-N 2.96Å
291N96.3Very high95.6Very high32 Ų3272.8 Ų72.817%0.17137%0.372CS..Hα-helixtrans-63.6-40.4-177.5-72.9-35000112.5Q281 P285 D287 R295Q281-N291 PolarHBondContact NE2-OD1 2.9Å; P285-N291 PolarHBondContact O-ND2 2.98Å; D287-N291 WeakPolarHBondContact O-CB 3.29Å; D287-N291 VanDerWaalsContact O-CG 3.28Å; D287-N291 PolarHBondContact O-N 3.1Å; D287-N291 VanDerWaalsContact O-N 3.16Å; D287-N291 PolarHBondContact O-ND2 2.87Å; N291-R295 WeakPolarHBondContact O-CG 3.49Å; N291-R295 PolarHBondContact O-N 3.07Å
292N97.1Very high95.3Very high71 Ų7175.8 Ų75.838%0.3838%0.384SS..Hα-helixtrans-66.9-40176.7-73.7-26.6000111.7S288 I290 R295 K296S288-N292 VanDerWaalsContact O-CB 3.22Å; S288-N292 WeakPolarHBondContact O-CB 3.48Å; S288-N292 PolarHBondContact O-N 2.81Å; S288-N292 PolarHBondContact O-ND2 3.29Å; I290-N292 PolarHBondContact O-N 2.79Å; N292-R295 PolarHBondContact O-N 2.69Å; N292-R295 PolarHBondContact OD1-NH1 2.92Å; N292-R295 VanDerWaalsContact OD1-NH1 3.13Å; N292-K296 WeakPolarHBondContact O-CG 3.29Å; N292-K296 PolarHBondContact O-N 3.02Å; N292-K296 VanDerWaalsContact O-N 3.13Å
293L96.8Very high95.1Very high19 Ų1975.6 Ų75.610%0.09938%0.377CS..Hα-helixtrans-68.8-39.7177.4-175.558000112.1F258 Q262 L277 D289 I290 R295 K296 V297F258-L293 HydrophobicContact CD2-CD2 4.23Å; F258-L293 HydrophobicContact CE2-CB 4.2Å; F258-L293 HydrophobicContact CE2-CD2 3.67Å; F258-L293 HydrophobicContact CZ-CD2 4.26Å; Q262-L293 HydrophobicContact CB-CD2 4.32Å; Q262-L293 HydrophobicContact CG-CD2 3.4Å; L277-L293 HydrophobicContact CD1-CB 4.34Å; L277-L293 HydrophobicContact CD1-CD2 3.95Å; L277-L293 HydrophobicContact CD1-CG 3.71Å; L277-L293 HydrophobicContact CD2-CD2 3.72Å; L277-L293 HydrophobicContact CD2-CG 4.26Å; L277-L293 HydrophobicContact CG-CD2 4.46Å; D289-L293 WeakPolarHBondContact O-CB 3.45Å; D289-L293 PolarHBondContact O-N 2.92Å; I290-L293 PolarHBondContact O-N 3.2Å; L293-R295 VanDerWaalsContact C-N 3.31Å; L293-R295 PolarHBondContact O-N 3.32Å; L293-K296 WeakPolarHBondContact O-CB 3.24Å; L293-K296 PolarHBondContact O-N 3.06Å; L293-K296 VanDerWaalsContact O-N 3.12Å; L293-V297 HydrophobicContact CD1-CG2 4.33Å; L293-V297 HydrophobicContact CG-CG2 4.41Å; L293-V297 WeakPolarHBondContact O-CG2 3.37Å; L293-V297 PolarHBondContact O-N 2.88Å
294L96.2Very high94.7Very high24 Ų2470.8 Ų70.813%0.12636%0.363CS..Hα-helixtrans-55-46.1172.8-85168000112L277 I278 Q281 I290 K296 V297 A298L277-L294 HydrophobicContact CB-CD1 4.35Å; L277-L294 HydrophobicContact CB-CD2 3.37Å; L277-L294 HydrophobicContact CB-CG 3.66Å; L277-L294 HydrophobicContact CD1-CD2 4.14Å; L277-L294 HydrophobicContact CD1-CG 4.27Å; L277-L294 HydrophobicContact CG-CD2 4.41Å; I278-L294 HydrophobicContact CG1-CD2 4.19Å; Q281-L294 HydrophobicContact CB-CD1 4.12Å; Q281-L294 HydrophobicContact CG-CD1 4.33Å; I290-L294 HydrophobicContact CG2-CD1 4.1Å; I290-L294 PolarHBondContact O-N 2.96Å; L294-K296 VanDerWaalsContact C-N 3.35Å; L294-K296 PolarHBondContact O-N 3Å; L294-V297 PolarHBondContact O-N 3.2Å; L294-A298 WeakPolarHBondContact O-CB 3.21Å; L294-A298 PolarHBondContact O-N 3.4Å
295R96.3Very high94.4Very high161 Ų16169.7 Ų69.761%0.60836%0.362SS*.Hα-helixtrans-61.1-43.4176-67.9178.3-159.3145.52.4111.8N291 N292 L293 A298 V299N291-R295 WeakPolarHBondContact O-CG 3.49Å; N291-R295 PolarHBondContact O-N 3.07Å; N292-R295 PolarHBondContact O-N 2.69Å; N292-R295 PolarHBondContact OD1-NH1 2.92Å; N292-R295 VanDerWaalsContact OD1-NH1 3.13Å; L293-R295 VanDerWaalsContact C-N 3.31Å; L293-R295 PolarHBondContact O-N 3.32Å; R295-A298 PolarHBondContact O-N 3.46Å; R295-V299 WeakPolarHBondContact O-CG2 3.44Å; R295-V299 PolarHBondContact O-N 2.99Å
296K96.4Very high94.2Very high134 Ų13469.9 Ų69.958%0.58336%0.359SS*.Hα-helixtrans-62.1-44.6177.8-72.7178.2179.1-175.20112.1N292 L293 L294 V299 A300N292-K296 WeakPolarHBondContact O-CG 3.29Å; N292-K296 PolarHBondContact O-N 3.02Å; N292-K296 VanDerWaalsContact O-N 3.13Å; L293-K296 WeakPolarHBondContact O-CB 3.24Å; L293-K296 PolarHBondContact O-N 3.06Å; L293-K296 VanDerWaalsContact O-N 3.12Å; L294-K296 VanDerWaalsContact C-N 3.35Å; L294-K296 PolarHBondContact O-N 3Å; K296-V299 PolarHBondContact O-N 3.38Å; K296-A300 WeakPolarHBondContact O-CB 3.43Å; K296-A300 PolarHBondContact O-N 2.93Å
297V96.1Very high94Very high1 Ų167.5 Ų67.51%0.00635%0.348CS..Hα-helixtrans-61.8-45.2176.4171.60000110.5H265 F270 A273 Q274 L277 L293 L294 V299 A300 Y301H265-V297 HydrophobicContact CB-CG2 3.92Å; F270-V297 HydrophobicContact CB-CG1 4.18Å; F270-V297 HydrophobicContact CD1-CG1 4.41Å; F270-V297 WeakPolarHBondContact O-CG1 3.04Å; A273-V297 HydrophobicContact CB-CG1 4.05Å; A273-V297 HydrophobicContact CB-CG2 4.1Å; Q274-V297 HydrophobicContact CB-CG1 4.33Å; L277-V297 HydrophobicContact CD1-CG2 3.91Å; L293-V297 HydrophobicContact CD1-CG2 4.33Å; L293-V297 HydrophobicContact CG-CG2 4.41Å; L293-V297 WeakPolarHBondContact O-CG2 3.37Å; L293-V297 PolarHBondContact O-N 2.88Å; L294-V297 PolarHBondContact O-N 3.2Å; V297-V299 PolarHBondContact O-N 3.5Å; V297-A300 PolarHBondContact O-N 3.3Å; V297-Y301 VanDerWaalsContact O-CB 3.31Å; V297-Y301 WeakPolarHBondContact O-CB 3.24Å; V297-Y301 PolarHBondContact O-N 2.8Å
298A94.3Very high93.6Very high49 Ų4970.2 Ų70.241%0.40536%0.359SS..Hα-helixtrans-62.1-42.6179.600000112.8L294 R295 K302L294-A298 WeakPolarHBondContact O-CB 3.21Å; L294-A298 PolarHBondContact O-N 3.4Å; R295-A298 PolarHBondContact O-N 3.46Å; A298-K302 PolarHBondContact O-N 3.35Å; A298-K302 VanDerWaalsContact O-N 3.15Å
299V95.1Very high93.4Very high86 Ų8673.5 Ų73.552%0.52137%0.365SS..Hα-helixtrans-64.3-49.3174.91730000110.5R295 K296 V297 Y301 K302 D303R295-V299 WeakPolarHBondContact O-CG2 3.44Å; R295-V299 PolarHBondContact O-N 2.99Å; K296-V299 PolarHBondContact O-N 3.38Å; V297-V299 PolarHBondContact O-N 3.5Å; V299-Y301 VanDerWaalsContact C-N 3.31Å; V299-Y301 PolarHBondContact O-N 2.93Å; V299-K302 PolarHBondContact O-N 2.98Å; V299-D303 VanDerWaalsContact O-CG 3.29Å; V299-D303 PolarHBondContact O-N 2.85Å
300A92.8Very high93.2Very high25 Ų2573.4 Ų73.421%0.20736%0.364CS..Hα-helixtrans-62.2-37.6-179.100000113F270 K296 V297 G304F270-A300 HydrophobicContact CD1-CB 4.16Å; F270-A300 HydrophobicContact CE1-CB 3.57Å; F270-A300 HydrophobicContact CZ-CB 3.91Å; K296-A300 WeakPolarHBondContact O-CB 3.43Å; K296-A300 PolarHBondContact O-N 2.93Å; V297-A300 PolarHBondContact O-N 3.3Å; A300-G304 PolarHBondContact O-N 2.91Å
301Y92Very high92.8Very high70 Ų7077.9 Ų77.928%0.27539%0.386SS..Hα-helixtrans-63.6-47.7175.6-176.6-119.9000111.6F270 E271 V297 V299 D303 G304 L305F270-Y301 HydrophobicContact CB-CD2 3.55Å; F270-Y301 HydrophobicContact CB-CE2 4.43Å; F270-Y301 HydrophobicContact CB-CG 4.03Å; F270-Y301 AromaticContact CD2-CD2 3.94Å; F270-Y301 HydrophobicContact CD2-CD2 3.94Å; F270-Y301 HydrophobicContact CG-CD2 4.13Å; E271-Y301 HydrophobicContact CG-CE2 3.83Å; E271-Y301 PolarHBondContact OE1-OH 3.23Å; V297-Y301 VanDerWaalsContact O-CB 3.31Å; V297-Y301 WeakPolarHBondContact O-CB 3.24Å; V297-Y301 PolarHBondContact O-N 2.8Å; V299-Y301 VanDerWaalsContact C-N 3.31Å; V299-Y301 PolarHBondContact O-N 2.93Å; Y301-D303 PolarHBondContact O-N 3.16Å; Y301-G304 PolarHBondContact O-N 3.06Å; Y301-L305 HydrophobicContact CD1-CD1 4.08Å; Y301-L305 HydrophobicContact CE1-CD1 3.7Å; Y301-L305 HydrophobicContact CE2-CD1 4.49Å; Y301-L305 WeakPolarHBondContact O-CG 3.5Å; Y301-L305 PolarHBondContact O-N 2.77Å
302K92.4Very high92.5Very high129 Ų12982.4 Ų82.456%0.56140%0.402SS*.Hα-helixtrans-60.5-47176.8-175.5-176.8174.8-175.60111.6A298 V299 G304 L305 D306A298-K302 PolarHBondContact O-N 3.35Å; A298-K302 VanDerWaalsContact O-N 3.15Å; V299-K302 PolarHBondContact O-N 2.98Å; K302-G304 PolarHBondContact O-N 2.88Å; K302-L305 PolarHBondContact O-N 2.97Å; K302-D306 PolarHBondContact O-N 3.44Å
303D90.6Very high92.2Very high77 Ų7781.2 Ų81.241%0.41240%0.399SS..Hα-helixtrans-61.7-33.9178.5-69.2-10.1000111.9V299 Y301 K307V299-D303 VanDerWaalsContact O-CG 3.29Å; V299-D303 PolarHBondContact O-N 2.85Å; Y301-D303 PolarHBondContact O-N 3.16Å; D303-K307 WeakPolarHBondContact O-CB 3.28Å; D303-K307 WeakPolarHBondContact O-CD 3.4Å; D303-K307 VanDerWaalsContact O-CG 3.25Å; D303-K307 WeakPolarHBondContact O-CG 3.11Å; D303-K307 PolarHBondContact O-N 3.47Å
304G87.1Confident91.9Very high24 Ų2486.2 Ų86.225%0.24742%0.42CS..Hα-helixtrans-63.5-50.3172.900000112.3A300 Y301 K302 D306 K307 E308A300-G304 PolarHBondContact O-N 2.91Å; Y301-G304 PolarHBondContact O-N 3.06Å; K302-G304 PolarHBondContact O-N 2.88Å; G304-D306 PolarHBondContact O-N 3.02Å; G304-K307 PolarHBondContact O-N 3Å; G304-E308 PolarHBondContact O-N 3.49Å
305L89Confident91.5Very high77 Ų7790.5 Ų90.540%0.40344%0.441SS..Hα-helixtrans-61.6-42.4178.2-69.1174.1000112.5Y301 K302 K307 E308 K309Y301-L305 HydrophobicContact CD1-CD1 4.08Å; Y301-L305 HydrophobicContact CE1-CD1 3.7Å; Y301-L305 HydrophobicContact CE2-CD1 4.49Å; Y301-L305 WeakPolarHBondContact O-CG 3.5Å; Y301-L305 PolarHBondContact O-N 2.77Å; K302-L305 PolarHBondContact O-N 2.97Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 2.9Å; L305-E308 PolarHBondContact O-N 2.86Å; L305-K309 WeakPolarHBondContact O-CB 3.29Å; L305-K309 PolarHBondContact O-N 2.92Å
306D90.9Very high91.2Very high73 Ų7388.7 Ų88.739%0.3944%0.438SS..Hα-helixtrans-63-40.9178.3-74.8-23.9000110.8K302 G304 K309 D310K302-D306 PolarHBondContact O-N 3.44Å; G304-D306 PolarHBondContact O-N 3.02Å; D306-K309 PolarHBondContact O-N 2.86Å; D306-D310 WeakPolarHBondContact O-CB 3.48Å; D306-D310 PolarHBondContact O-N 2.85Å
307K89.6Confident90.7Very high150 Ų15089.8 Ų89.865%0.65244%0.438SS*.Hα-helixtrans-65.5-42.7174.9-75170.5-174.8170.90113D303 G304 L305 D310 M311D303-K307 WeakPolarHBondContact O-CB 3.28Å; D303-K307 WeakPolarHBondContact O-CD 3.4Å; D303-K307 VanDerWaalsContact O-CG 3.25Å; D303-K307 WeakPolarHBondContact O-CG 3.11Å; D303-K307 PolarHBondContact O-N 3.47Å; G304-K307 PolarHBondContact O-N 3Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 2.9Å; K307-D310 PolarHBondContact O-N 2.97Å; K307-M311 WeakPolarHBondContact O-CB 3.46Å; K307-M311 PolarHBondContact O-N 2.51Å
308E88.4Confident90Very high103 Ų10394.4 Ų94.448%0.48146%0.463SS..Hα-helixtrans-61.1-47175.8-76-177.1177.500110.8G304 L305 D310 M311 Y312G304-E308 PolarHBondContact O-N 3.49Å; L305-E308 PolarHBondContact O-N 2.86Å; E308-D310 VanDerWaalsContact C-N 3.31Å; E308-D310 PolarHBondContact O-N 3.08Å; E308-M311 WeakPolarHBondContact O-CB 3.27Å; E308-M311 PolarHBondContact O-N 2.88Å; E308-Y312 HydrophobicContact CB-CD2 4.42Å; E308-Y312 HydrophobicContact CB-CE2 4.28Å; E308-Y312 WeakPolarHBondContact O-CD2 3.34Å; E308-Y312 PolarHBondContact O-N 3.42Å
309K90.8Very high89.1Confident140 Ų14097.7 Ų97.761%0.60947%0.473SS*.Hα-helixtrans-58-44176.8-176.7-178177-175.90111.9L305 D306 S313L305-K309 WeakPolarHBondContact O-CB 3.29Å; L305-K309 PolarHBondContact O-N 2.92Å; D306-K309 PolarHBondContact O-N 2.86Å; K309-S313 VanDerWaalsContact O-CB 3.25Å; K309-S313 WeakPolarHBondContact O-CB 3.25Å; K309-S313 PolarHBondContact O-N 3.37Å; K309-S313 PolarHBondContact O-OG 3.18Å
310D91.6Very high88.1Confident94 Ų94102.5 Ų102.550%0.50348%0.482SS..Hα-helixtrans-65-41.5176.9-82-9.1000112.2D306 K307 E308 S313 K314D306-D310 WeakPolarHBondContact O-CB 3.48Å; D306-D310 PolarHBondContact O-N 2.85Å; K307-D310 PolarHBondContact O-N 2.97Å; E308-D310 VanDerWaalsContact C-N 3.31Å; E308-D310 PolarHBondContact O-N 3.08Å; D310-S313 PolarHBondContact O-N 3.37Å; D310-K314 WeakPolarHBondContact O-CG 3.37Å; D310-K314 PolarHBondContact O-N 2.9Å
311M89.4Confident86.9Confident96 Ų96105 Ų10547%0.47350%0.498SS..Hα-helixtrans-61.6-51.6176.3-177.7-177.667.700111.2K307 E308 S313 K314 M315K307-M311 WeakPolarHBondContact O-CB 3.46Å; K307-M311 PolarHBondContact O-N 2.51Å; E308-M311 WeakPolarHBondContact O-CB 3.27Å; E308-M311 PolarHBondContact O-N 2.88Å; M311-S313 VanDerWaalsContact C-N 3.3Å; M311-S313 PolarHBondContact O-N 2.88Å; M311-K314 PolarHBondContact O-N 3.06Å; M311-K314 VanDerWaalsContact O-N 3.12Å; M311-M315 HydrophobicContact CG-SD 4.32Å; M311-M315 WeakPolarHBondContact O-CG 3.47Å; M311-M315 PolarHBondContact O-N 2.82Å
312Y89.3Confident85.4Confident127 Ų127106.1 Ų106.150%0.49852%0.516SS..Hα-helixtrans-58.3-44.1175.9-74.5-61.4000111.3E308 K314 M315 F316E308-Y312 HydrophobicContact CB-CD2 4.42Å; E308-Y312 HydrophobicContact CB-CE2 4.28Å; E308-Y312 WeakPolarHBondContact O-CD2 3.34Å; E308-Y312 PolarHBondContact O-N 3.42Å; Y312-K314 PolarHBondContact O-N 2.8Å; Y312-M315 PolarHBondContact O-N 2.58Å; Y312-F316 WeakPolarHBondContact O-CD2 3.19Å; Y312-F316 PolarHBondContact O-N 3.35Å
313S90.4Very high83.7Confident47 Ų47106 Ų10633%0.32953%0.526SS..Hα-helixtrans-63.1-28.3178.6-610000113.5K309 D310 M311 R317K309-S313 VanDerWaalsContact O-CB 3.25Å; K309-S313 WeakPolarHBondContact O-CB 3.25Å; K309-S313 PolarHBondContact O-N 3.37Å; K309-S313 PolarHBondContact O-OG 3.18Å; D310-S313 PolarHBondContact O-N 3.37Å; M311-S313 VanDerWaalsContact C-N 3.3Å; M311-S313 PolarHBondContact O-N 2.88Å; S313-R317 PolarHBondContact O-NE 3.11Å
314K91.3Very high81.6Confident124 Ų124113.4 Ų113.454%0.53956%0.558SS.*Hα-helixtrans-76.7-50.2172.1-73.2172.6-176.6174.70111D310 M311 Y312 F316 R317 D318D310-K314 WeakPolarHBondContact O-CG 3.37Å; D310-K314 PolarHBondContact O-N 2.9Å; M311-K314 PolarHBondContact O-N 3.06Å; M311-K314 VanDerWaalsContact O-N 3.12Å; Y312-K314 PolarHBondContact O-N 2.8Å; K314-F316 VanDerWaalsContact C-N 3.27Å; K314-F316 PolarHBondContact O-N 3.49Å; K314-R317 WeakPolarHBondContact O-CA 3.37Å; K314-R317 WeakPolarHBondContact O-CB 3.15Å; K314-R317 PolarHBondContact O-N 2.56Å; K314-D318 PolarHBondContact O-N 3.1Å
315M88.3Confident81.3Confident114 Ų114117.9 Ų117.956%0.56257%0.573SS**Hα-helixtrans-55.7-41.4178.2-67.7-178.178.700112.4M311 Y312 R317 D318 L319M311-M315 HydrophobicContact CG-SD 4.32Å; M311-M315 WeakPolarHBondContact O-CG 3.47Å; M311-M315 PolarHBondContact O-N 2.82Å; Y312-M315 PolarHBondContact O-N 2.58Å; M315-R317 VanDerWaalsContact C-N 3.34Å; M315-R317 PolarHBondContact O-N 3.2Å; M315-D318 PolarHBondContact O-N 2.86Å; M315-L319 WeakPolarHBondContact O-CB 3.38Å; M315-L319 PolarHBondContact O-N 2.89Å
316F89.3Confident80.9Confident123 Ų123120.1 Ų120.154%0.53958%0.582SS.*Hα-helixtrans-68-29.5176.2-84.5-68.3000113.9Y312 K314 R320Y312-F316 WeakPolarHBondContact O-CD2 3.19Å; Y312-F316 PolarHBondContact O-N 3.35Å; K314-F316 VanDerWaalsContact C-N 3.27Å; K314-F316 PolarHBondContact O-N 3.49Å; F316-R320 WeakPolarHBondContact O-CG 3.03Å; F316-R320 PolarHBondContact O-N 3.14Å
317R86.3Confident80.4Confident156 Ų156122.7 Ų122.759%0.58959%0.593SS**Hα-helixtrans-71.2-45.8173.8-86.7-178.9-83.9-179.3-8.1110.5S313 K314 M315 L319 R320 S321S313-R317 PolarHBondContact O-NE 3.11Å; K314-R317 WeakPolarHBondContact O-CA 3.37Å; K314-R317 WeakPolarHBondContact O-CB 3.15Å; K314-R317 PolarHBondContact O-N 2.56Å; M315-R317 VanDerWaalsContact C-N 3.34Å; M315-R317 PolarHBondContact O-N 3.2Å; R317-L319 VanDerWaalsContact C-N 3.32Å; R317-L319 PolarHBondContact O-N 2.81Å; R317-R320 PolarHBondContact O-N 3.36Å; R317-R320 VanDerWaalsContact O-N 3.13Å; R317-S321 PolarHBondContact O-N 3.11Å; R317-S321 PolarHBondContact O-OG 3.49Å
318D81.1Confident79.8Confident98 Ų98121.1 Ų121.152%0.52459%0.589SS.*Hα-helixtrans-64.2-38.3-179.8-60.8-19000111.4K314 M315 R320 S321 S322K314-D318 PolarHBondContact O-N 3.1Å; M315-D318 PolarHBondContact O-N 2.86Å; D318-R320 VanDerWaalsContact C-N 3.32Å; D318-R320 PolarHBondContact O-N 3.1Å; D318-S321 WeakPolarHBondContact CA-OG 3.45Å; D318-S321 PolarHBondContact O-N 3.28Å; D318-S321 PolarHBondContact O-OG 3.3Å; D318-S322 WeakPolarHBondContact O-CB 3.05Å; D318-S322 PolarHBondContact O-N 3.12Å; D318-S322 VanDerWaalsContact O-N 3.13Å; D318-S322 PolarHBondContact O-OG 2.87Å
319L75.5Confident79.3Confident118 Ų118122.2 Ų122.262%0.61860%0.596SS**Hα-helixtrans-63.6-37.6175-14984.3000112M315 R317 S322 V323M315-L319 WeakPolarHBondContact O-CB 3.38Å; M315-L319 PolarHBondContact O-N 2.89Å; R317-L319 VanDerWaalsContact C-N 3.32Å; R317-L319 PolarHBondContact O-N 2.81Å; L319-S322 PolarHBondContact O-N 3.42Å; L319-V323 WeakPolarHBondContact O-CG2 3.3Å
320R74Confident78.5Confident188 Ų188121 Ų12171%0.70960%0.595SS**Hα-helixtrans-71.7-37.2177.2-73.1-177-145.8-172.73.7112.6F316 R317 D318 S322F316-R320 WeakPolarHBondContact O-CG 3.03Å; F316-R320 PolarHBondContact O-N 3.14Å; R317-R320 PolarHBondContact O-N 3.36Å; R317-R320 VanDerWaalsContact O-N 3.13Å; D318-R320 VanDerWaalsContact C-N 3.32Å; D318-R320 PolarHBondContact O-N 3.1Å; R320-S322 PolarHBondContact O-N 3.37Å
321S67.9Low77.6Confident78 Ų78122.9 Ų122.955%0.54560%0.602SS.*Hα-helixtrans-71.9-15.7175.5530000113.7R317 D318R317-S321 PolarHBondContact O-N 3.11Å; R317-S321 PolarHBondContact O-OG 3.49Å; D318-S321 WeakPolarHBondContact CA-OG 3.45Å; D318-S321 PolarHBondContact O-N 3.28Å; D318-S321 PolarHBondContact O-OG 3.3Å
322S59.9Low76.7Confident93 Ų93125 Ų12565%0.6561%0.612SS**THydrogen-bonded Turntrans-89.3-6.2179.1-520000113.9D318 L319 R320D318-S322 WeakPolarHBondContact O-CB 3.05Å; D318-S322 PolarHBondContact O-N 3.12Å; D318-S322 VanDerWaalsContact O-N 3.13Å; D318-S322 PolarHBondContact O-OG 2.87Å; L319-S322 PolarHBondContact O-N 3.42Å; R320-S322 PolarHBondContact O-N 3.37Å
323V57.7Low75.7Confident126 Ų126124.8 Ų124.876%0.76462%0.621SS**  trans-111.24.8-175.5179.90000111.4L319L319-V323 WeakPolarHBondContact O-CG2 3.3Å
324Q46.1Very low74.3Confident233 Ų233131.9 Ų131.9100%1.08965%0.648SS**  trans-108.50168.9-77.5-176.8-29.300109.9

Retrieved 324 of 324 residues in 276.9 ms (Link to these results)

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