A0A096NII4_PAPAN Loading...

Large ribosomal subunit protein mL66

AlphaFold DB (H9FWJ2), UniProt , Accession A0A096NII4, Species PAPAN (Papio anubis, Olive baboon), Gene MRPS18A, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M34.1Very low35.5Very low243 Ų243149.5 Ų149.5100%1.19785%0.852SS**  0131.30-71.5-171-175.200108.6
2A34.3Very low35.6Very low97 Ų97143.8 Ų143.880%0.80285%0.85SS**  trans41.1108.5162.600000118.7
3A34.8Very low35.8Very low87 Ų87138 Ų13872%0.71984%0.839SS**  63113.780.300000114.3
4F32Very low36.5Very low209 Ų209138.4 Ų138.492%0.91783%0.833SS**  -175.5141.3107.7-118.5-95.2000112.2
5K34.1Very low36.6Very low206 Ų206141.4 Ų141.490%0.89684%0.842SS**  trans-74.6150.1175.4-71.5173170.7178.50111
6G34.2Very low36.7Very low78 Ų78146.2 Ų146.280%0.80484%0.84SS**  trans-154.995.5161.800000110.7
7L39.7Very low37Very low172 Ų172141.9 Ų141.990%0.90184%0.836SS**  trans-66.4145.8159.4-80.9160000108.4
8V35.3Very low37.1Very low140 Ų140143.3 Ų143.385%0.84884%0.838SS**  trans-179.5125.8132.8159.50000110.8
9S37.9Very low37.4Very low102 Ų102145.5 Ų145.571%0.71385%0.845SS**  trans64.6112.7145.7-153.40000121.5
10A37.1Very low37.7Very low83 Ų83142.5 Ų142.569%0.68684%0.838SS**  trans-47.8142.4150.300000112.3
11Y36.8Very low37.8Very low228 Ų228138.2 Ų138.289%0.89482%0.824SS**  trans-16586.8131.6-108.6-79.4000108.1G13Y11-G13 PolarHBondContact O-N 3.03Å
12G36.7Very low38.2Very low80 Ų80132.9 Ų132.983%0.82581%0.807SS**  trans-77.1105.9165.800000109.2
13G39.1Very low38.5Very low69 Ų69132.6 Ų132.671%0.71181%0.805SS**  trans-112.4103.7170.300000109.7Y11 L15Y11-G13 PolarHBondContact O-N 3.03Å; G13-L15 PolarHBondContact O-N 3.04Å
14L44.5Very low38.7Very low144 Ų144132.8 Ų132.875%0.75481%0.807SS**  trans-55.7117.1172.7-94.183000111.1R16L14-R16 HydrophobicContact CD2-CG 4.14Å; L14-R16 PolarHBondContact O-N 3.42Å
15L38.7Very low39.3Very low183 Ų183128.3 Ų128.396%0.95880%0.797SS**  trans-75.990.1153.3-78.4162.3000107.9G13G13-L15 PolarHBondContact O-N 3.04Å
16R38.1Very low39.5Very low218 Ų218122.8 Ų122.882%0.82378%0.784SS**  trans-108.5127.6163.8-98.3-174.4179.1-140.1-0.2109.3L14L14-R16 HydrophobicContact CD2-CG 4.14Å; L14-R16 PolarHBondContact O-N 3.42Å
17G42Very low40.1Very low74 Ų74130.6 Ų130.676%0.76379%0.789SS**  trans-65155.2-165.300000115.4
18L39.1Very low40.4Very low166 Ų166127 Ų12787%0.86978%0.778SS**  trans-142.988.7151.9-92.6162.2000106A20L18-A20 PolarHBondContact O-N 3.48Å
19L42.9Very low40.8Very low185 Ų185131.3 Ų131.397%0.96978%0.779SS**  trans-68.672.6155-72172.3000107.2G21L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 3.28Å; L19-G21 VanDerWaalsContact O-N 3.15Å
20A42.5Very low41.3Very low85 Ų85131.8 Ų131.870%0.70277%0.773SS**  trans-75.494160.400000105.8L18L18-A20 PolarHBondContact O-N 3.48Å
21G39.9Very low41.9Very low53 Ų53132 Ų13255%0.54677%0.768SS.*  trans-50.6152.7166.800000109.9L19 A23L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 3.28Å; L19-G21 VanDerWaalsContact O-N 3.15Å; G21-A23 PolarHBondContact O-N 3.32Å
22P42Very low42.9Very low132 Ų132126.4 Ų126.486%0.85777%0.769SS**  trans-57.9114.1-179.124.9-31.1000107.2A24P22-A24 PolarHBondContact O-N 2.94Å
23A40.4Very low44.1Very low90 Ų90132.5 Ų132.574%0.74477%0.767SS**  trans-52.6110.8167.100000105G21 T25G21-A23 PolarHBondContact O-N 3.32Å; A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 PolarHBondContact O-N 2.82Å
24A39.2Very low46.1Very low92 Ų92130.5 Ų130.576%0.7675%0.746SS**  trans-51.9104172.600000105.3P22 S26P22-A24 PolarHBondContact O-N 2.94Å; A24-S26 PolarHBondContact O-N 3.28Å
25T44.2Very low48.1Very low115 Ų115129.3 Ų129.371%0.70674%0.735SS**  trans-6395.8169.220.60000103.1A23 W27A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 PolarHBondContact O-N 2.82Å; T25-W27 VanDerWaalsContact C-N 3.29Å; T25-W27 VanDerWaalsContact O-CD1 3.29Å; T25-W27 PolarHBondContact O-N 2.87Å
26S39.5Very low50.6Low89 Ų89129.1 Ų129.162%0.62272%0.721SS**  trans-72.192.3176.159.70000106.7A24 S28A24-S26 PolarHBondContact O-N 3.28Å; S26-S28 PolarHBondContact O-N 3.22Å
27W46.8Very low53.2Low243 Ų243124.1 Ų124.192%0.9271%0.707SS**THydrogen-bonded Turntrans-70.632.3172.9-79.556.5000112.3T25T25-W27 VanDerWaalsContact C-N 3.29Å; T25-W27 VanDerWaalsContact O-CD1 3.29Å; T25-W27 PolarHBondContact O-N 2.87Å
28S46.5Very low55.7Low96 Ų96125.1 Ų125.167%0.67170%0.698SS**THydrogen-bonded Turntrans-139.112.4-16047.10000116.6S26S26-S28 PolarHBondContact O-N 3.22Å
29R43.1Very low58.4Low230 Ų230119.1 Ų119.187%0.86867%0.669SS**  trans-128.492.7157.8-65.1-172.2-139.7-136.33.9109.6
30L48.8Very low60.8Low112 Ų112116.6 Ų116.659%0.58665%0.652SS**  trans-52.3132.3156.1-65.6165.4000106.5A32 K103L30-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact O-N 3.13Å; L30-K103 WeakPolarHBondContact CD1-O 3.35Å
31P48.8Very low63.4Low88 Ų88115.1 Ų115.157%0.57163%0.632SS**  trans-53.4129173.822.6-31.7000107R33P31-R33 HydrophobicContact CB-CG 4.5Å; P31-R33 HydrophobicContact CG-CG 4.32Å; P31-R33 PolarHBondContact O-N 3.47Å
32A57Low66Low111 Ų111119.7 Ų119.792%0.91764%0.639SS**  trans-64.483.217600000107.9L30 G34L30-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact O-N 3.13Å; A32-G34 PolarHBondContact O-N 3.02Å; A32-G34 VanDerWaalsContact O-N 3.12Å
33R63.8Low68.4Low208 Ų208119.4 Ų119.479%0.78563%0.626SS**  trans-76.1103.6177.1-71.3-174.5-176.7-1731105.8P31P31-R33 HydrophobicContact CB-CG 4.5Å; P31-R33 HydrophobicContact CG-CG 4.32Å; P31-R33 PolarHBondContact O-N 3.47Å
34G79.5Confident70.9Confident26 Ų26119.2 Ų119.227%0.26863%0.633SS.*  trans-58.5167.217000000111.5A32 R36A32-G34 PolarHBondContact O-N 3.02Å; A32-G34 VanDerWaalsContact O-N 3.12Å; G34-R36 PolarHBondContact O-N 3.4Å
35F87.7Confident73.5Confident120 Ų120124.5 Ų124.553%0.52664%0.639SS.*  trans-63.3126167.9-67.3-53000108.3T54 T56 P57F35-T54 WeakPolarHBondContact CB-OG1 3.34Å; F35-T54 PolarHBondContact O-N 3.19Å; F35-T54 PolarHBondContact O-OG1 2.87Å; F35-T56 HydrophobicContact CB-CG2 4.16Å; F35-T56 HydrophobicContact CD2-CG2 3.66Å; F35-T56 HydrophobicContact CE2-CG2 4.28Å; F35-T56 HydrophobicContact CG-CG2 4.02Å; F35-P57 HydrophobicContact CE2-CG 4.44Å
36R90.5Very high75.9Confident178 Ų178122.9 Ų122.967%0.67263%0.629SS**EExtended strand (participates in β ladder)trans-121.2130.5-179.9-169.8175.572.2167.15.2108.7G34 R52 L53G34-R36 PolarHBondContact O-N 3.4Å; R36-R52 WeakPolarHBondContact CA-O 3.49Å; R36-R52 WeakPolarHBondContact CG-O 3.38Å; R36-L53 HydrophobicContact CB-CD2 4.15Å; R36-L53 HydrophobicContact CG-CD2 4.11Å
37E92.9Very high78.5Confident114 Ų114122.3 Ų122.353%0.53362%0.622SS.*EExtended strand (participates in β ladder)trans-105.9141.6176.4-64.8-176.5169.700109.2G51 R52 T54E37-G51 CarbonylContact O-C 3.6Å; E37-G51 WeakPolarHBondContact O-CA 3.47Å; E37-R52 PolarHBondContact N-O 2.91Å; E37-R52 PolarHBondContact O-N 3.34Å; E37-T54 HydrophobicContact CG-CG2 3.9Å
38V94.8Very high80.9Confident94 Ų94113.5 Ų113.557%0.5759%0.592SS**EExtended strand (participates in β ladder)trans-102124.4173.3-179.90000106.4I49 E50V38-I49 HydrophobicContact CG1-CG2 3.56Å; V38-E50 WeakPolarHBondContact CA-O 3.43Å
39V95.1Very high83.2Confident41 Ų41114.2 Ų114.225%0.24859%0.587CS.*EExtended strand (participates in β ladder)trans-115.8128.2179.2-176.60000108I41 E50 R52V39-I41 HydrophobicContact CG1-CG1 4.07Å; V39-E50 PolarHBondContact N-O 2.93Å; V39-E50 PolarHBondContact O-N 2.9Å; V39-R52 HydrophobicContact CG2-CG 4.42Å
40E94.6Very high85.7Confident132 Ų132107 Ų10762%0.61756%0.563SS**EExtended strand (participates in β ladder)trans-103.9123.9175.5-62.8178.4-172.500108.2I49E40-I49 HydrophobicContact CG-CG1 4.37Å
41I96Very high87.8Confident54 Ų54104.1 Ų104.128%0.27756%0.56SS.*EExtended strand (participates in β ladder)trans-118.9123.1178.4-54.2174.1000107.1V39 E43 I48V39-I41 HydrophobicContact CG1-CG1 4.07Å; I41-E43 HydrophobicContact CG2-CG 4.24Å; I41-I48 HydrophobicContact CB-CB 4.44Å; I41-I48 PolarHBondContact N-O 3.42Å; I41-I48 PolarHBondContact O-N 3.49Å
42Q94.3Very high89.8Confident149 Ų149105.9 Ų105.970%0.69656%0.556SS**EExtended strand (participates in β ladder)trans-103.1111.8178.1-67.2-177.5-300109.7T47Q42-T47 HydrophobicContact CG-CG2 4.3Å
43E93.4Very high91.3Very high125 Ų125107.2 Ų107.258%0.58455%0.547SS*.EExtended strand (participates in β ladder)trans-108.993.6174.7-68-177179.400108.9I41 K45 T46I41-E43 HydrophobicContact CG2-CG 4.24Å; E43-K45 PolarHBondContact O-N 3.39Å; E43-T46 PolarHBondContact N-O 3.44Å; E43-T46 PolarHBondContact O-N 3.43Å
44G92.5Very high92.4Very high86 Ų8699.5 Ų99.589%0.88752%0.523SS*.THydrogen-bonded Turntrans61.5-107.8-175.700000112
45K93.4Very high92.6Very high204 Ų204103.1 Ų103.189%0.88755%0.55SS*.THydrogen-bonded Turntrans-97.5-5.4178.367.1175.5179.3179.20114.3E43E43-K45 PolarHBondContact O-N 3.39Å
46T94.6Very high92.4Very high81 Ų81100.6 Ų100.650%0.49755%0.545SS..EExtended strand (participates in β ladder)trans-101.9130-177.5-53.80000109.3E43 I48E43-T46 PolarHBondContact N-O 3.44Å; E43-T46 PolarHBondContact O-N 3.43Å; T46-I48 HydrophobicContact CG2-CG1 4.42Å
47T94.9Very high91.9Very high77 Ų7797.2 Ų97.247%0.47255%0.546SS..EExtended strand (participates in β ladder)trans-105.1117.7173.7-540000109.3Q42 I49Q42-T47 HydrophobicContact CG-CG2 4.3Å; T47-I49 HydrophobicContact CG2-CG1 4.33Å
48I95.9Very high91.2Very high58 Ų58101.3 Ų101.330%0.29756%0.562SS.*EExtended strand (participates in β ladder)trans-99.1126.6177.3-55.3173.6000107.7I41 T46 E50I41-I48 HydrophobicContact CB-CB 4.44Å; I41-I48 PolarHBondContact N-O 3.42Å; I41-I48 PolarHBondContact O-N 3.49Å; T46-I48 HydrophobicContact CG2-CG1 4.42Å; I48-E50 HydrophobicContact CG2-CG 4.05Å
49I96Very high90.2Very high111 Ų111100.2 Ų100.257%0.56957%0.57SS**EExtended strand (participates in β ladder)trans-113.9111.2179-53.8179.8000108.4V38 E40 T47V38-I49 HydrophobicContact CG1-CG2 3.56Å; E40-I49 HydrophobicContact CG-CG1 4.37Å; T47-I49 HydrophobicContact CG2-CG1 4.33Å
50E94.6Very high89.5Confident77 Ų77101.4 Ų101.436%0.3658%0.58SS.*EExtended strand (participates in β ladder)trans-107.2146.8-179.1-62.7-174.9164.400111.7V38 V39 I48 R52V38-E50 WeakPolarHBondContact CA-O 3.43Å; V39-E50 PolarHBondContact N-O 2.93Å; V39-E50 PolarHBondContact O-N 2.9Å; I48-E50 HydrophobicContact CG2-CG 4.05Å; E50-R52 IonicContact OE2-CZ 3.59Å; E50-R52 IonicContact OE2-NE 3.34Å; E50-R52 PolarHBondContact OE2-NE 3.33Å; E50-R52 IonicContact OE2-NH2 2.91Å; E50-R52 PolarHBondContact OE2-NH2 3.06Å
51G92.9Very high88.6Confident52 Ų52100.5 Ų100.554%0.53659%0.586SS.*EExtended strand (participates in β ladder)trans-108.4109.7171.700000111.3E37E37-G51 CarbonylContact O-C 3.6Å; E37-G51 WeakPolarHBondContact O-CA 3.47Å
52R91.4Very high88.1Confident126 Ų126104.6 Ų104.648%0.47561%0.608SS.*EExtended strand (participates in β ladder)trans-100130.6179.5-62.6-175.5-176.8178.50.2110.8R36 E37 V39 E50R36-R52 WeakPolarHBondContact CA-O 3.49Å; R36-R52 WeakPolarHBondContact CG-O 3.38Å; E37-R52 PolarHBondContact N-O 2.91Å; E37-R52 PolarHBondContact O-N 3.34Å; V39-R52 HydrophobicContact CG2-CG 4.42Å; E50-R52 IonicContact OE2-CZ 3.59Å; E50-R52 IonicContact OE2-NE 3.34Å; E50-R52 PolarHBondContact OE2-NE 3.33Å; E50-R52 IonicContact OE2-NH2 2.91Å; E50-R52 PolarHBondContact OE2-NH2 3.06Å
53L88.6Confident87.9Confident139 Ų13998.6 Ų98.673%0.72858%0.582SS**EExtended strand (participates in β ladder)trans-84.6125.3172.7-67.8175.2000109.1R36R36-L53 HydrophobicContact CB-CD2 4.15Å; R36-L53 HydrophobicContact CG-CD2 4.11Å
54T86.6Confident87.9Confident46 Ų4696.4 Ų96.428%0.28258%0.578SS.*PPolyproline II helixtrans-101.2156.1176.354.60000110.5F35 E37 T56F35-T54 WeakPolarHBondContact CB-OG1 3.34Å; F35-T54 PolarHBondContact O-N 3.19Å; F35-T54 PolarHBondContact O-OG1 2.87Å; E37-T54 HydrophobicContact CG-CG2 3.9Å; T54-T56 PolarHBondContact O-N 3.41Å
55A83.4Confident87.9Confident101 Ų10194.8 Ų94.884%0.83555%0.549SS*.PPolyproline II helixtrans-62.5128.6179.200000110.5
56T83.3Confident87.7Confident68 Ų6889.5 Ų89.542%0.41754%0.536SS..PPolyproline II helixtrans-99.6135.7173.450.40000111.6F35 T54 K58F35-T56 HydrophobicContact CB-CG2 4.16Å; F35-T56 HydrophobicContact CD2-CG2 3.66Å; F35-T56 HydrophobicContact CE2-CG2 4.28Å; F35-T56 HydrophobicContact CG-CG2 4.02Å; T54-T56 PolarHBondContact O-N 3.41Å; T56-K58 PolarHBondContact O-N 2.89Å
57P80.1Confident87.5Confident107 Ų10790.2 Ų90.270%0.69554%0.544SS*.PPolyproline II helixtrans-61.9131.3171.727.6-32.5000109F35F35-P57 HydrophobicContact CE2-CG 4.44Å
58K78.4Confident87.2Confident199 Ų19987.3 Ų87.387%0.86553%0.53SS*.PPolyproline II helixtrans-78140170.1-66-177.4-178.1176.50108.3T56T56-K58 PolarHBondContact O-N 2.89Å
59G73.5Confident86.9Confident72 Ų7292.8 Ų92.874%0.74255%0.554SS**PPolyproline II helixtrans-59.2149.9169.600000110.2
60S80.7Confident86.7Confident65 Ų6587.6 Ų87.646%0.45553%0.527SS..PPolyproline II helixtrans-63.1146.517858.10000111.1N62 W75S60-N62 PolarHBondContact O-N 3.33Å; S60-W75 WeakPolarHBondContact OG-CH2 3.48Å; S60-W75 WeakPolarHBondContact OG-CZ2 3.45Å
61P76.1Confident86.7Confident114 Ų11486 Ų8674%0.7452%0.524SS*.SBendtrans-70.9-35.8-16225.1-34.3000114.1P63P61-P63 WeakPolarHBondContact O-CD 3.46Å
62N86Confident86.8Confident139 Ų13983.6 Ų83.674%0.74350%0.499SS*.  trans-117.795.1-168.3-64.4-16.2000111S60S60-N62 PolarHBondContact O-N 3.33Å
63P89.8Confident86.9Confident24 Ų2479.2 Ų79.216%0.15649%0.487CS..  trans-80.6148.3174.723.9-18.1000111.1P61 N65 R74P61-P63 WeakPolarHBondContact O-CD 3.46Å; P63-N65 VanDerWaalsContact C-N 3.33Å; P63-N65 PolarHBondContact O-N 3.49Å; P63-R74 HydrophobicContact CB-CG 3.87Å; P63-R74 HydrophobicContact CG-CG 4.2Å; P63-R74 VanDerWaalsContact CG-NH2 3.29Å
64P92.7Very high87.1Confident78 Ų7877.7 Ų77.751%0.50647%0.471SS..SBendtrans-68.6-28.4-176.527.3-35000113.5R74 W75P64-R74 WeakPolarHBondContact CD-O 3.37Å; P64-R74 WeakPolarHBondContact CG-O 3.42Å; P64-W75 HydrophobicContact CG-CE3 4.16Å
65N92.4Very high87.5Confident52 Ų5280.7 Ų80.728%0.27848%0.478SS..  trans-128.894.9176.1179.8-0.9000110.5P63 S67 G68 R74 N76P63-N65 VanDerWaalsContact C-N 3.33Å; P63-N65 PolarHBondContact O-N 3.49Å; N65-S67 PolarHBondContact O-N 3.06Å; N65-S67 PolarHBondContact OD1-N 3.4Å; N65-G68 PolarHBondContact O-N 3.04Å; N65-R74 WeakPolarHBondContact CB-O 3.12Å; N65-R74 PolarHBondContact N-O 3.23Å; N65-R74 VanDerWaalsContact O-CA 3.31Å; N65-R74 WeakPolarHBondContact O-CA 3.21Å; N65-R74 WeakPolarHBondContact O-CG 3.34Å; N65-N76 WeakPolarHBondContact CB-OD1 3.5Å; N65-N76 PolarHBondContact ND2-OD1 2.88Å
66P89.5Confident88Confident93 Ų9379.1 Ų79.160%0.60446%0.455SS*.THydrogen-bonded Turntrans-67.3-21.6-177.327.1-34.1000113.8G68P66-G68 VanDerWaalsContact C-N 3.29Å; P66-G68 PolarHBondContact O-N 3.26Å
67S91.3Very high88.6Confident96 Ų9678.8 Ų78.867%0.67145%0.45SS*.THydrogen-bonded Turntrans-78.8-10.6-178-530000113.8N65 Q69N65-S67 PolarHBondContact O-N 3.06Å; N65-S67 PolarHBondContact OD1-N 3.4Å; S67-Q69 PolarHBondContact O-N 3.29Å
68G88.3Confident89.4Confident16 Ų1677.7 Ų77.717%0.16544%0.435CS..  trans-67126.3179.600000112.7N65 P66N65-G68 PolarHBondContact O-N 3.04Å; P66-G68 VanDerWaalsContact C-N 3.29Å; P66-G68 PolarHBondContact O-N 3.26Å
69Q89.4Confident90.2Very high174 Ų17470.5 Ų70.581%0.81340%0.404SS*.SBendtrans-72-34.6-179.5-60.7-58.9-41.700113.2S67S67-Q69 PolarHBondContact O-N 3.29Å
70C92.2Very high91.4Very high1 Ų173.1 Ų73.11%0.00740%0.395CS..SBendtrans-105.3150-17989.90000111.3I72 C73 R74 C108C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 2.89Å; C70-C73 HydrophobicContact CB-CB 4.15Å; C70-C73 WeakPolarHBondContact CB-SG 3.25Å; C70-C73 WeakPolarHBondContact O-CB 3.42Å; C70-C73 PolarHBondContact O-N 3.5Å; C70-C73 WeakPolarHBondContact SG-CB 3.3Å; C70-C73 PolarHBondContact SG-N 3.49Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 3.2Å; C70-R74 WeakPolarHBondContact O-CB 3.23Å; C70-R74 PolarHBondContact O-N 3.25Å; C70-C108 HydrophobicContact CB-CB 4.37Å; C70-C108 VanDerWaalsContact CB-SG 3.54Å
71P93.4Very high92.2Very high44 Ų4470.2 Ų70.229%0.28637%0.374SS..Hα-helixtrans-51-48.9176.5-29.234.2000113C73 R74 W75 T105 G106 L107P71-C73 VanDerWaalsContact C-N 3.28Å; P71-C73 PolarHBondContact O-N 3.24Å; P71-R74 WeakPolarHBondContact O-CB 3.13Å; P71-R74 PolarHBondContact O-N 3.24Å; P71-R74 VanDerWaalsContact O-N 3.15Å; P71-W75 WeakPolarHBondContact O-CB 3.33Å; P71-W75 PolarHBondContact O-N 3.02Å; P71-T105 WeakPolarHBondContact CG-O 3.3Å; P71-G106 VanDerWaalsContact CD-O 3.28Å; P71-G106 WeakPolarHBondContact CD-O 3.47Å; P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.42Å
72I95.3Very high93.2Very high2 Ų267.1 Ų67.11%0.0135%0.351CS..Hα-helixtrans-58.9-39.7178.8-60.9-57.5000112.4C70 N76 L77 K78 Y81 L88 F92 L107 E111 I115C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 2.89Å; I72-N76 PolarHBondContact O-N 2.81Å; I72-L77 HydrophobicContact CG2-CB 4.03Å; I72-L77 PolarHBondContact O-N 3.1Å; I72-K78 HydrophobicContact CG2-CB 4.4Å; I72-Y81 HydrophobicContact CG2-CD1 4.41Å; I72-Y81 HydrophobicContact CG2-CE1 3.95Å; I72-L88 HydrophobicContact CD1-CD1 4Å; I72-L88 HydrophobicContact CD1-CD2 4.12Å; I72-L88 HydrophobicContact CD1-CG 4.46Å; I72-F92 HydrophobicContact CD1-CE2 4.25Å; I72-F92 HydrophobicContact CD1-CZ 4.31Å; I72-L107 HydrophobicContact CG1-CD2 3.61Å; I72-E111 HydrophobicContact CG2-CG 4.41Å; I72-I115 HydrophobicContact CD1-CD1 4.14Å; I72-I115 HydrophobicContact CG1-CD1 4.02Å
73C93Very high93.8Very high33 Ų3362.1 Ų62.122%0.22332%0.322CS..Hα-helixtrans-68.9-44.2179-48.10000110.4C70 P71 W75 N76C70-C73 HydrophobicContact CB-CB 4.15Å; C70-C73 WeakPolarHBondContact CB-SG 3.25Å; C70-C73 WeakPolarHBondContact O-CB 3.42Å; C70-C73 PolarHBondContact O-N 3.5Å; C70-C73 WeakPolarHBondContact SG-CB 3.3Å; C70-C73 PolarHBondContact SG-N 3.49Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 3.2Å; P71-C73 VanDerWaalsContact C-N 3.28Å; P71-C73 PolarHBondContact O-N 3.24Å; C73-W75 PolarHBondContact O-N 2.74Å; C73-N76 PolarHBondContact O-N 3.33Å; C73-N76 VanDerWaalsContact O-N 3.1Å; C73-N76 PolarHBondContact O-OD1 2.99Å
74R93.8Very high94.2Very high107 Ų10764.9 Ų64.940%0.40434%0.336SS..Hα-helixtrans-62.8-30.3179.5-155-173.7-179.4-175.5-7.9112.4P63 P64 N65 C70 P71P63-R74 HydrophobicContact CB-CG 3.87Å; P63-R74 HydrophobicContact CG-CG 4.2Å; P63-R74 VanDerWaalsContact CG-NH2 3.29Å; P64-R74 WeakPolarHBondContact CD-O 3.37Å; P64-R74 WeakPolarHBondContact CG-O 3.42Å; N65-R74 WeakPolarHBondContact CB-O 3.12Å; N65-R74 PolarHBondContact N-O 3.23Å; N65-R74 VanDerWaalsContact O-CA 3.31Å; N65-R74 WeakPolarHBondContact O-CA 3.21Å; N65-R74 WeakPolarHBondContact O-CG 3.34Å; C70-R74 WeakPolarHBondContact O-CB 3.23Å; C70-R74 PolarHBondContact O-N 3.25Å; P71-R74 WeakPolarHBondContact O-CB 3.13Å; P71-R74 PolarHBondContact O-N 3.24Å; P71-R74 VanDerWaalsContact O-N 3.15Å
75W94.3Very high94.4Very high110 Ų11064.3 Ų64.342%0.41733%0.328SS..THydrogen-bonded Turntrans-95.33.6177.5-74.898.1000114.2S60 P64 P71 C73 L77S60-W75 WeakPolarHBondContact OG-CH2 3.48Å; S60-W75 WeakPolarHBondContact OG-CZ2 3.45Å; P64-W75 HydrophobicContact CG-CE3 4.16Å; P71-W75 WeakPolarHBondContact O-CB 3.33Å; P71-W75 PolarHBondContact O-N 3.02Å; C73-W75 PolarHBondContact O-N 2.74Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.94Å; W75-L77 PolarHBondContact O-N 3.29Å
76N95.1Very high94.6Very high68 Ų6863.9 Ų63.936%0.36433%0.328SS..THydrogen-bonded Turntrans5432.7-177.9-58.7-38.4000113.9N65 I72 C73 K80N65-N76 WeakPolarHBondContact CB-OD1 3.5Å; N65-N76 PolarHBondContact ND2-OD1 2.88Å; I72-N76 PolarHBondContact O-N 2.81Å; C73-N76 PolarHBondContact O-N 3.33Å; C73-N76 VanDerWaalsContact O-N 3.1Å; C73-N76 PolarHBondContact O-OD1 2.99Å; N76-K80 WeakPolarHBondContact O-CD 3.36Å; N76-K80 WeakPolarHBondContact O-CE 3.2Å; N76-K80 PolarHBondContact O-NZ 2.88Å
77L96.2Very high94.9Very high60 Ų6066.6 Ų66.631%0.31434%0.336SS..  trans-93.3-3.4-180-67.3177000113.1I72 W75 H79 K80 Y81 L88I72-L77 HydrophobicContact CG2-CB 4.03Å; I72-L77 PolarHBondContact O-N 3.1Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.94Å; W75-L77 PolarHBondContact O-N 3.29Å; L77-H79 PolarHBondContact O-N 3.28Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-K80 VanDerWaalsContact O-N 3.08Å; L77-Y81 WeakPolarHBondContact O-CD1 3.48Å; L77-L88 HydrophobicContact CD1-CD1 3.94Å; L77-L88 HydrophobicContact CD1-CD2 4.3Å
78K95.7Very high95.2Very high85 Ų8563 Ų6337%0.3731%0.31SS..THydrogen-bonded Turntrans-56.2131.9177.9-159-173179.4179.60109.9I72 K80I72-K78 HydrophobicContact CG2-CB 4.4Å; K78-K80 PolarHBondContact O-N 3.27Å
79H96.5Very high95.6Very high48 Ų4862.3 Ų62.322%0.22230%0.302CS..THydrogen-bonded Turntrans687.2-178.3-51.4-77.4000116.3L77 D183 N184 V185L77-H79 PolarHBondContact O-N 3.28Å; H79-D183 PolarHBondContact ND1-O 3.21Å; H79-N184 WeakPolarHBondContact O-CA 3.37Å; H79-V185 HydrophobicContact CB-CG2 4.13Å; H79-V185 PolarHBondContact O-N 3.02Å
80K97.1Very high96Very high127 Ų12756.1 Ų56.155%0.55228%0.278SS*.THydrogen-bonded Turntrans-115.4-10-173.4-62.4-179.8-172.5167.80115N76 L77 K78N76-K80 WeakPolarHBondContact O-CD 3.36Å; N76-K80 WeakPolarHBondContact O-CE 3.2Å; N76-K80 PolarHBondContact O-NZ 2.88Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-K80 VanDerWaalsContact O-N 3.08Å; K78-K80 PolarHBondContact O-N 3.27Å
81Y97.5Very high96.1Very high3 Ų362.1 Ų62.11%0.01231%0.306CS..  trans-103.5157.3179.967.7-91.5000111.9I72 L77 D85 L88 E111 K114 I115 N184I72-Y81 HydrophobicContact CG2-CD1 4.41Å; I72-Y81 HydrophobicContact CG2-CE1 3.95Å; L77-Y81 WeakPolarHBondContact O-CD1 3.48Å; Y81-D85 WeakPolarHBondContact CA-OD2 3.5Å; Y81-L88 HydrophobicContact CD1-CD2 4.18Å; Y81-L88 HydrophobicContact CD2-CD2 4.37Å; Y81-L88 HydrophobicContact CG-CD2 3.79Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.2Å; Y81-E111 PolarHBondContact OH-OE2 3.4Å; Y81-K114 HydrophobicContact CE2-CB 4.37Å; Y81-K114 WeakPolarHBondContact OH-CB 3.46Å; Y81-K114 WeakPolarHBondContact OH-CD 3.28Å; Y81-I115 HydrophobicContact CE2-CG1 3.98Å; Y81-N184 PolarHBondContact O-ND2 3.41Å
82N97.9Very high96.2Very high49 Ų4960.8 Ų60.826%0.26230%0.295SS..  trans-142.4-176.6-178-174.128.7000110.9D84 D85N82-D84 VanDerWaalsContact C-OD1 3.28Å; N82-D84 WeakPolarHBondContact CB-OD1 3.35Å; N82-D84 PolarHBondContact ND2-OD1 3.15Å; N82-D84 PolarHBondContact O-N 3.4Å; N82-D85 PolarHBondContact N-OD2 2.82Å; N82-D85 PolarHBondContact O-N 3.33Å
83Y98Very high96.2Very high34 Ų3461.3 Ų61.313%0.13330%0.298CS..THydrogen-bonded Turntrans-72.3-17.7-172.875.8-81.3000114.4L89 M121 A125 L127 L151Y83-L89 WeakPolarHBondContact O-CD1 3.46Å; Y83-M121 HydrophobicContact CD2-CB 4.48Å; Y83-M121 HydrophobicContact CG-CB 4.32Å; Y83-A125 HydrophobicContact CE2-CB 4.4Å; Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.25Å; Y83-L127 WeakPolarHBondContact O-CD1 3.4Å; Y83-L151 HydrophobicContact CD1-CD2 3.58Å; Y83-L151 HydrophobicContact CD1-CG 4.36Å; Y83-L151 HydrophobicContact CE1-CD2 3.29Å; Y83-L151 HydrophobicContact CE1-CG 3.66Å
84D97.8Very high96.3Very high82 Ų8265.4 Ų65.444%0.43931%0.309SS..THydrogen-bonded Turntrans-79.3-20.817746.2-3.1000113.1N82 V86N82-D84 VanDerWaalsContact C-OD1 3.28Å; N82-D84 WeakPolarHBondContact CB-OD1 3.35Å; N82-D84 PolarHBondContact ND2-OD1 3.15Å; N82-D84 PolarHBondContact O-N 3.4Å; D84-V86 PolarHBondContact O-N 3.33Å
85D97.7Very high96.4Very high66 Ų6664.7 Ų64.735%0.35332%0.318SS..  trans-75.463.9-179.4-64.3-46.6000113Y81 N82 L87 L88 L89Y81-D85 WeakPolarHBondContact CA-OD2 3.5Å; N82-D85 PolarHBondContact N-OD2 2.82Å; N82-D85 PolarHBondContact O-N 3.33Å; D85-L87 PolarHBondContact O-N 2.93Å; D85-L87 VanDerWaalsContact O-N 3.15Å; D85-L88 HydrophobicContact CB-CB 4.39Å; D85-L88 PolarHBondContact O-N 2.76Å; D85-L89 WeakPolarHBondContact O-CG 3.3Å; D85-L89 PolarHBondContact O-N 2.94Å; D85-L89 VanDerWaalsContact O-N 3.09Å
86V97.1Very high96.4Very high43 Ų4363.1 Ų63.126%0.26132%0.315SS..Hα-helixtrans-56.9-33.5-175.1176.30000112.6D84 L88 L89 S90 L127 L128D84-V86 PolarHBondContact O-N 3.33Å; V86-L88 VanDerWaalsContact C-N 3.29Å; V86-L88 PolarHBondContact O-N 3.29Å; V86-L89 PolarHBondContact O-N 3.21Å; V86-S90 WeakPolarHBondContact O-CB 3.41Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 PolarHBondContact O-OG 3.47Å; V86-S90 VanDerWaalsContact O-OG 3.11Å; V86-L127 HydrophobicContact CG2-CB 3.77Å; V86-L127 HydrophobicContact CG2-CD1 4.2Å; V86-L128 HydrophobicContact CG1-CD2 3.63Å
87L96.5Very high96.3Very high150 Ų15060.5 Ų60.579%0.78531%0.305SS*.Hα-helixtrans-66-31.1179.7-61.7178.7000113.1D85 S90 Q91D85-L87 PolarHBondContact O-N 2.93Å; D85-L87 VanDerWaalsContact O-N 3.15Å; L87-S90 PolarHBondContact O-OG 3.02Å; L87-Q91 PolarHBondContact O-NE2 3.45Å
88L96.6Very high96.3Very high22 Ų2259.2 Ų59.212%0.11531%0.305CS..Hα-helixtrans-81.3-46.3174.5179.965.7000110.3I72 L77 Y81 D85 V86 S90 Q91 F92I72-L88 HydrophobicContact CD1-CD1 4Å; I72-L88 HydrophobicContact CD1-CD2 4.12Å; I72-L88 HydrophobicContact CD1-CG 4.46Å; L77-L88 HydrophobicContact CD1-CD1 3.94Å; L77-L88 HydrophobicContact CD1-CD2 4.3Å; Y81-L88 HydrophobicContact CD1-CD2 4.18Å; Y81-L88 HydrophobicContact CD2-CD2 4.37Å; Y81-L88 HydrophobicContact CG-CD2 3.79Å; D85-L88 HydrophobicContact CB-CB 4.39Å; D85-L88 PolarHBondContact O-N 2.76Å; V86-L88 VanDerWaalsContact C-N 3.29Å; V86-L88 PolarHBondContact O-N 3.29Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.46Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 3.32Å; L88-F92 HydrophobicContact CD1-CE2 3.98Å; L88-F92 HydrophobicContact CG-CE2 4.32Å; L88-F92 WeakPolarHBondContact O-CD2 3.36Å
89L97.3Very high96.3Very high1 Ų157.1 Ų57.11%0.00530%0.298CS..Hα-helixtrans-64.1-37.5-176.1-62.1175.9000112.1Y83 D85 V86 Q91 F92 I115 C118 V119 A122Y83-L89 WeakPolarHBondContact O-CD1 3.46Å; D85-L89 WeakPolarHBondContact O-CG 3.3Å; D85-L89 PolarHBondContact O-N 2.94Å; D85-L89 VanDerWaalsContact O-N 3.09Å; V86-L89 PolarHBondContact O-N 3.21Å; L89-Q91 PolarHBondContact O-N 2.96Å; L89-Q91 VanDerWaalsContact O-N 3.15Å; L89-F92 PolarHBondContact O-N 3.47Å; L89-F92 VanDerWaalsContact O-N 3.12Å; L89-I115 HydrophobicContact CD2-CG2 4.07Å; L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.66Å; L89-V119 HydrophobicContact CB-CG2 4.25Å; L89-V119 HydrophobicContact CD2-CG2 4.17Å; L89-A122 HydrophobicContact CD1-CB 4.19Å
90S96.2Very high96.3Very high43 Ų4356.6 Ų56.630%0.30130%0.296SS..G310 helixtrans-60.7-24.1-178.965.10000113.7V86 L87 L88 F92 I93V86-S90 WeakPolarHBondContact O-CB 3.41Å; V86-S90 PolarHBondContact O-N 3.12Å; V86-S90 PolarHBondContact O-OG 3.47Å; V86-S90 VanDerWaalsContact O-OG 3.11Å; L87-S90 PolarHBondContact O-OG 3.02Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.46Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.75Å; S90-I93 WeakPolarHBondContact O-CG1 3.08Å
91Q94.3Very high96.2Very high127 Ų12753.4 Ų53.459%0.59329%0.288SS*.G310 helixtrans-72.4-24.6179.3-59.41743500112.9L87 L88 L89L87-Q91 PolarHBondContact O-NE2 3.45Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.96Å; L89-Q91 VanDerWaalsContact O-N 3.15Å
92F95.9Very high96.1Very high16 Ų1658.2 Ų58.27%0.0731%0.306CS..G310 helixtrans-105.24.2-174.6-57.1-71.8000113.8I72 L88 L89 S90 M99 L100 T105 L107 I115I72-F92 HydrophobicContact CD1-CE2 4.25Å; I72-F92 HydrophobicContact CD1-CZ 4.31Å; L88-F92 HydrophobicContact CD1-CE2 3.98Å; L88-F92 HydrophobicContact CG-CE2 4.32Å; L88-F92 WeakPolarHBondContact O-CD2 3.36Å; L89-F92 PolarHBondContact O-N 3.47Å; L89-F92 VanDerWaalsContact O-N 3.12Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.75Å; F92-M99 HydrophobicContact CB-CE 3.75Å; F92-M99 HydrophobicContact CB-SD 4.3Å; F92-L100 VanDerWaalsContact O-CB 3.3Å; F92-L100 WeakPolarHBondContact O-CB 3.5Å; F92-L100 WeakPolarHBondContact O-CG 3.41Å; F92-L100 PolarHBondContact O-N 2.79Å; F92-T105 HydrophobicContact CD1-CG2 3.92Å; F92-L107 HydrophobicContact CD1-CD1 3.85Å; F92-L107 HydrophobicContact CE1-CD1 3.93Å; F92-L107 HydrophobicContact CE1-CD2 4.14Å; F92-L107 HydrophobicContact CE1-CG 4.16Å; F92-L107 HydrophobicContact CG-CD1 4.32Å; F92-L107 HydrophobicContact CZ-CD1 4.46Å; F92-L107 HydrophobicContact CZ-CD2 4.21Å; F92-I115 HydrophobicContact CB-CG2 4.25Å; F92-I115 HydrophobicContact CD2-CD1 4.12Å; F92-I115 HydrophobicContact CD2-CG2 4.25Å; F92-I115 HydrophobicContact CE2-CD1 4.08Å; F92-I115 HydrophobicContact CG-CG2 4.5Å
93I96.5Very high95.8Very high13 Ų1363.8 Ų63.87%0.06733%0.329CS..BIsolated β-bridgetrans-108.9157.4-179.163.1177.3000111.9S90 G98 V119 L128 H131S90-I93 WeakPolarHBondContact O-CG1 3.08Å; I93-G98 CarbonylContact C-O 3.59Å; I93-G98 WeakPolarHBondContact CA-O 3.28Å; I93-V119 HydrophobicContact CG2-CB 4.38Å; I93-V119 HydrophobicContact CG2-CG1 3.71Å; I93-V119 HydrophobicContact CG2-CG2 3.65Å; I93-L128 HydrophobicContact CD1-CD1 3.95Å; I93-L128 HydrophobicContact CD1-CD2 4.06Å; I93-H131 HydrophobicContact CD1-CB 4.23Å
94R95.2Very high95.5Very high119 Ų11967.2 Ų67.245%0.44935%0.348SS..  trans-79.9163.7170.8-65.3172.9-179.3-92.84.4110.2H96 G97 G98 L100 H131R94-H96 PolarHBondContact O-N 3.12Å; R94-G97 PolarHBondContact O-N 3.25Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.36Å; R94-G98 PolarHBondContact N-O 2.68Å; R94-L100 HydrophobicContact CG-CD2 3.78Å; R94-L100 HydrophobicContact CG-CG 4.43Å; R94-H131 PolarHBondContact O-ND1 3.01Å
95P94.1Very high95.2Very high92 Ų9264.3 Ų64.360%0.59733%0.333SS*.THydrogen-bonded Turntrans-54.2-28171.9-27.536000113.9H131P95-H131 WeakPolarHBondContact O-CA 3.15Å
96H94.6Very high95Very high78 Ų7863 Ų6336%0.36134%0.335SS..THydrogen-bonded Turntrans-94.211.7-179.9-55.4-42.4000114.9R94 G98 R134R94-H96 PolarHBondContact O-N 3.12Å; H96-G98 VanDerWaalsContact C-N 3.3Å; H96-G98 PolarHBondContact O-N 2.69Å; H96-R134 VanDerWaalsContact CE1-CD 3.48Å; H96-R134 WeakPolarHBondContact CE1-CD 3.45Å; H96-R134 VanDerWaalsContact CE1-CG 3.47Å; H96-R134 WeakPolarHBondContact CE1-CG 3.34Å; H96-R134 VanDerWaalsContact CE1-CZ 3.48Å; H96-R134 PolarHBondContact CE1-NE 3.32Å; H96-R134 PolarHBondContact NE2-NE 3.49Å
97G94.3Very high94.9Very high13 Ų1361.1 Ų61.113%0.13432%0.324CS..SBendtrans81.61179.800000115.2R94 H123R94-G97 PolarHBondContact O-N 3.25Å; G97-H123 WeakPolarHBondContact CA-NE2 3.31Å; G97-H123 PolarHBondContact O-NE2 3.3Å
98G95.6Very high94.9Very high32 Ų3256.4 Ų56.433%0.3330%0.303SS..PPolyproline II helixtrans-74143.8173.200000112.1I93 R94 H96I93-G98 CarbonylContact C-O 3.59Å; I93-G98 WeakPolarHBondContact CA-O 3.28Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.36Å; R94-G98 PolarHBondContact N-O 2.68Å; H96-G98 VanDerWaalsContact C-N 3.3Å; H96-G98 PolarHBondContact O-N 2.69Å
99M96.1Very high94.9Very high42 Ų4259.3 Ų59.321%0.20732%0.316CS..BIsolated β-bridgetrans-70.5143.2176.6-170.262.3-170.100111.8F92 I115 V119F92-M99 HydrophobicContact CB-CE 3.75Å; F92-M99 HydrophobicContact CB-SD 4.3Å; M99-I115 HydrophobicContact CE-CB 4.26Å; M99-I115 HydrophobicContact CE-CG2 3.58Å; M99-I115 HydrophobicContact SD-CG2 4.19Å; M99-V119 HydrophobicContact SD-CG2 4.35Å
100L95.6Very high94.8Very high37 Ų3765 Ų6519%0.19434%0.342CS..PPolyproline II helixtrans-75.2149.1172-71.9175.1000111.8F92 R94 T105 H112F92-L100 VanDerWaalsContact O-CB 3.3Å; F92-L100 WeakPolarHBondContact O-CB 3.5Å; F92-L100 WeakPolarHBondContact O-CG 3.41Å; F92-L100 PolarHBondContact O-N 2.79Å; R94-L100 HydrophobicContact CG-CD2 3.78Å; R94-L100 HydrophobicContact CG-CG 4.43Å; L100-T105 HydrophobicContact CB-CG2 3.58Å; L100-T105 HydrophobicContact CD1-CG2 4.41Å; L100-H112 PolarHBondContact O-CE1 3.15Å; L100-H112 VanDerWaalsContact O-CE1 3.25Å
101P96Very high94.9Very high60 Ų6063 Ų6339%0.3933%0.328SS..PPolyproline II helixtrans-65.6140.4179.7-19.431.7000112.8K103 I104 T105P101-K103 VanDerWaalsContact C-N 3.28Å; P101-K103 PolarHBondContact O-N 3.09Å; P101-I104 HydrophobicContact CB-CG1 4.27Å; P101-I104 HydrophobicContact CG-CG1 4.36Å; P101-I104 PolarHBondContact O-N 3.33Å; P101-T105 PolarHBondContact O-N 3.41Å; P101-T105 VanDerWaalsContact O-N 3.07Å; P101-T105 PolarHBondContact O-OG1 2.78Å
102R94.7Very high95.1Very high103 Ų10358 Ų5839%0.38931%0.305SS..Hα-helixtrans-51.1-45.2178.1-169.7175.269.178.6-3.2113.3I104 T105 G106 L107 H112R102-I104 PolarHBondContact O-N 3.39Å; R102-T105 WeakPolarHBondContact CA-OG1 3.48Å; R102-T105 PolarHBondContact O-N 2.94Å; R102-T105 PolarHBondContact O-OG1 3.28Å; R102-G106 PolarHBondContact O-N 2.85Å; R102-L107 WeakPolarHBondContact CD-O 3.38Å; R102-L107 WeakPolarHBondContact CG-O 3.45Å; R102-L107 PolarHBondContact NH1-O 3.42Å; R102-H112 HydrophobicContact CG-CB 4.11Å
103K92.1Very high95.2Very high167 Ų16764 Ų6473%0.72633%0.327SS*.Hα-helixtrans-56-32.6179.2-68-174.5179.7-178.20112.5L30 P101L30-K103 WeakPolarHBondContact CD1-O 3.35Å; P101-K103 VanDerWaalsContact C-N 3.28Å; P101-K103 PolarHBondContact O-N 3.09Å
104I91.2Very high95.2Very high106 Ų10663.9 Ų63.954%0.54433%0.326SS..Hα-helixtrans-85-44.3179.3-56-56.8000110.7P101 R102 G106P101-I104 HydrophobicContact CB-CG1 4.27Å; P101-I104 HydrophobicContact CG-CG1 4.36Å; P101-I104 PolarHBondContact O-N 3.33Å; R102-I104 PolarHBondContact O-N 3.39Å; I104-G106 VanDerWaalsContact C-N 3.27Å; I104-G106 PolarHBondContact O-N 3.04Å
105T92.5Very high95.4Very high20 Ų2058.2 Ų58.212%0.12331%0.305CS..Hα-helixtrans-67.6-23.2-179.160.10000114.2P71 F92 L100 P101 R102 L107P71-T105 WeakPolarHBondContact CG-O 3.3Å; F92-T105 HydrophobicContact CD1-CG2 3.92Å; L100-T105 HydrophobicContact CB-CG2 3.58Å; L100-T105 HydrophobicContact CD1-CG2 4.41Å; P101-T105 PolarHBondContact O-N 3.41Å; P101-T105 VanDerWaalsContact O-N 3.07Å; P101-T105 PolarHBondContact O-OG1 2.78Å; R102-T105 WeakPolarHBondContact CA-OG1 3.48Å; R102-T105 PolarHBondContact O-N 2.94Å; R102-T105 PolarHBondContact O-OG1 3.28Å; T105-L107 PolarHBondContact O-N 2.9Å
106G92.6Very high95.6Very high39 Ų3957 Ų5740%0.40229%0.291SS..THydrogen-bonded Turntrans71.215.3-175.900000114.5P71 R102 I104P71-G106 VanDerWaalsContact CD-O 3.28Å; P71-G106 WeakPolarHBondContact CD-O 3.47Å; R102-G106 PolarHBondContact O-N 2.85Å; I104-G106 VanDerWaalsContact C-N 3.27Å; I104-G106 PolarHBondContact O-N 3.04Å
107L95.9Very high95.7Very high3 Ų354.6 Ų54.62%0.01628%0.28CS..  trans-75.9149.2178.9-67.2168000112.3P71 I72 F92 R102 T105 H112 I115P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.42Å; I72-L107 HydrophobicContact CG1-CD2 3.61Å; F92-L107 HydrophobicContact CD1-CD1 3.85Å; F92-L107 HydrophobicContact CE1-CD1 3.93Å; F92-L107 HydrophobicContact CE1-CD2 4.14Å; F92-L107 HydrophobicContact CE1-CG 4.16Å; F92-L107 HydrophobicContact CG-CD1 4.32Å; F92-L107 HydrophobicContact CZ-CD1 4.46Å; F92-L107 HydrophobicContact CZ-CD2 4.21Å; R102-L107 WeakPolarHBondContact CD-O 3.38Å; R102-L107 WeakPolarHBondContact CG-O 3.45Å; R102-L107 PolarHBondContact NH1-O 3.42Å; T105-L107 PolarHBondContact O-N 2.9Å; L107-H112 HydrophobicContact CB-CB 4.14Å; L107-I115 HydrophobicContact CD1-CD1 3.62Å; L107-I115 HydrophobicContact CD2-CD1 4.05Å; L107-I115 HydrophobicContact CG-CD1 4.5Å
108C95.4Very high95.9Very high51 Ų5154 Ų5435%0.34527%0.274SS..  trans-62.9154.9165-69.90000110.3C70 E110 E111 H112C70-C108 HydrophobicContact CB-CB 4.37Å; C70-C108 VanDerWaalsContact CB-SG 3.54Å; C108-E110 VanDerWaalsContact C-N 3.28Å; C108-E110 PolarHBondContact O-N 3.21Å; C108-E111 PolarHBondContact O-N 3.47Å; C108-H112 VanDerWaalsContact O-CB 3.27Å; C108-H112 WeakPolarHBondContact O-CB 3.32Å; C108-H112 PolarHBondContact O-N 3.2Å
109Q96.7Very high96.1Very high83 Ų8352.8 Ų52.839%0.38826%0.26SS..Hα-helixtrans-60.6-38.1-178.3-174.660.746.800112.6R113Q109-R113 WeakPolarHBondContact O-CG 3.43Å; Q109-R113 PolarHBondContact O-N 3.07Å
110E96.4Very high96.2Very high120 Ų12054.4 Ų54.456%0.56127%0.266SS*.Hα-helixtrans-63.1-54.9177-64.7176.9178.700111.6C108 H112 R113 K114C108-E110 VanDerWaalsContact C-N 3.28Å; C108-E110 PolarHBondContact O-N 3.21Å; E110-H112 VanDerWaalsContact C-N 3.29Å; E110-H112 PolarHBondContact O-N 2.9Å; E110-R113 PolarHBondContact O-N 2.83Å; E110-R113 VanDerWaalsContact O-N 3.17Å; E110-K114 WeakPolarHBondContact O-CG 3.36Å; E110-K114 PolarHBondContact O-N 2.74Å
111E97.3Very high96.3Very high2 Ų252.6 Ų52.61%0.00926%0.256CS..Hα-helixtrans-65.6-34.3-178.3-61.8-55.1132.900111.6I72 Y81 C108 R113 K114 I115I72-E111 HydrophobicContact CG2-CG 4.41Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.2Å; Y81-E111 PolarHBondContact OH-OE2 3.4Å; C108-E111 PolarHBondContact O-N 3.47Å; E111-R113 PolarHBondContact O-N 3.37Å; E111-K114 PolarHBondContact O-N 3.01Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 3.34Å; E111-I115 WeakPolarHBondContact O-CB 3.35Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 2.92Å; E111-I115 PolarHBondContact O-N 3.21Å
112H97.9Very high96.4Very high22 Ų2249.8 Ų49.810%0.10224%0.238CC..Hα-helixtrans-61.3-43.8173.9-170.566.5000112.1L100 R102 L107 C108 E110 E116L100-H112 PolarHBondContact O-CE1 3.15Å; L100-H112 VanDerWaalsContact O-CE1 3.25Å; R102-H112 HydrophobicContact CG-CB 4.11Å; L107-H112 HydrophobicContact CB-CB 4.14Å; C108-H112 VanDerWaalsContact O-CB 3.27Å; C108-H112 WeakPolarHBondContact O-CB 3.32Å; C108-H112 PolarHBondContact O-N 3.2Å; E110-H112 VanDerWaalsContact C-N 3.29Å; E110-H112 PolarHBondContact O-N 2.9Å; H112-E116 WeakPolarHBondContact O-CB 3.16Å; H112-E116 PolarHBondContact O-N 3.09Å
113R98.1Very high96.5Very high141 Ų14147.9 Ų47.953%0.53223%0.233SC..Hα-helixtrans-66.8-39.4176.5-72.5177178.1174.71.9112.3Q109 E110 E111 E117 L180Q109-R113 WeakPolarHBondContact O-CG 3.43Å; Q109-R113 PolarHBondContact O-N 3.07Å; E110-R113 PolarHBondContact O-N 2.83Å; E110-R113 VanDerWaalsContact O-N 3.17Å; E111-R113 PolarHBondContact O-N 3.37Å; R113-E117 PolarHBondContact O-N 2.95Å; R113-E117 VanDerWaalsContact O-N 3.09Å; R113-L180 HydrophobicContact CB-CD1 4.09Å
114K98.1Very high96.8Very high12 Ų1242.9 Ų42.95%0.05221%0.21CC..Hα-helixtrans-63-49.5176.2-72.3176.6-172.6171.10111.3Y81 E110 E111 E116 E117 C118 L180 L181Y81-K114 HydrophobicContact CE2-CB 4.37Å; Y81-K114 WeakPolarHBondContact OH-CB 3.46Å; Y81-K114 WeakPolarHBondContact OH-CD 3.28Å; E110-K114 WeakPolarHBondContact O-CG 3.36Å; E110-K114 PolarHBondContact O-N 2.74Å; E111-K114 PolarHBondContact O-N 3.01Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 3.34Å; K114-E116 VanDerWaalsContact C-N 3.34Å; K114-E116 PolarHBondContact O-N 3.46Å; K114-E117 PolarHBondContact O-N 2.99Å; K114-C118 PolarHBondContact O-N 3.23Å; K114-C118 PolarHBondContact O-SG 3.13Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; K114-L180 VanDerWaalsContact CE-O 3.23Å; K114-L180 WeakPolarHBondContact CE-O 3.27Å; K114-L180 HydrophobicContact CG-CB 4.08Å; K114-L181 HydrophobicContact CB-CD2 4.02Å; K114-L181 HydrophobicContact CD-CD2 4.25Å; K114-L181 HydrophobicContact CG-CD2 4.06Å
115I98.1Very high97.1Very high0 Ų039.2 Ų39.20%020%0.196CC..Hα-helixtrans-61.8-43177.7-69166.2000110.6I72 Y81 L89 F92 M99 L107 E111 E117 C118 V119I72-I115 HydrophobicContact CD1-CD1 4.14Å; I72-I115 HydrophobicContact CG1-CD1 4.02Å; Y81-I115 HydrophobicContact CE2-CG1 3.98Å; L89-I115 HydrophobicContact CD2-CG2 4.07Å; F92-I115 HydrophobicContact CB-CG2 4.25Å; F92-I115 HydrophobicContact CD2-CD1 4.12Å; F92-I115 HydrophobicContact CD2-CG2 4.25Å; F92-I115 HydrophobicContact CE2-CD1 4.08Å; F92-I115 HydrophobicContact CG-CG2 4.5Å; M99-I115 HydrophobicContact CE-CB 4.26Å; M99-I115 HydrophobicContact CE-CG2 3.58Å; M99-I115 HydrophobicContact SD-CG2 4.19Å; L107-I115 HydrophobicContact CD1-CD1 3.62Å; L107-I115 HydrophobicContact CD2-CD1 4.05Å; L107-I115 HydrophobicContact CG-CD1 4.5Å; E111-I115 WeakPolarHBondContact O-CB 3.35Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 2.92Å; E111-I115 PolarHBondContact O-N 3.21Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.46Å; I115-C118 PolarHBondContact O-N 3.07Å; I115-V119 HydrophobicContact CG2-CG2 4.16Å; I115-V119 WeakPolarHBondContact O-CB 2.98Å; I115-V119 VanDerWaalsContact O-CG2 3.28Å; I115-V119 WeakPolarHBondContact O-CG2 3.08Å; I115-V119 PolarHBondContact O-N 2.89Å
116E98.1Very high97.3Very high66 Ų6640.8 Ų40.831%0.30822%0.216SC..Hα-helixtrans-56.6-43.7176.2-171.4-167.5159.600111.7H112 K114 V119 K120H112-E116 WeakPolarHBondContact O-CB 3.16Å; H112-E116 PolarHBondContact O-N 3.09Å; K114-E116 VanDerWaalsContact C-N 3.34Å; K114-E116 PolarHBondContact O-N 3.46Å; E116-V119 PolarHBondContact O-N 3.2Å; E116-K120 WeakPolarHBondContact O-CG 3.41Å; E116-K120 PolarHBondContact O-N 3.17Å; E116-K120 VanDerWaalsContact OE1-CE 3.28Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 2.69Å; E116-K120 PolarHBondContact OE1-NZ 2.79Å
117E98.2Very high97.5Very high28 Ų2842.2 Ų42.213%0.13121%0.214CC..Hα-helixtrans-70.9-38.4178-164.459-156.800112.4R113 K114 I115 K120 M121 R124 S178 L180R113-E117 PolarHBondContact O-N 2.95Å; R113-E117 VanDerWaalsContact O-N 3.09Å; K114-E117 PolarHBondContact O-N 2.99Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.46Å; E117-K120 PolarHBondContact O-N 2.94Å; E117-M121 HydrophobicContact CG-CE 4.38Å; E117-M121 WeakPolarHBondContact O-CG 3.1Å; E117-M121 PolarHBondContact O-N 2.91Å; E117-R124 IonicContact OE1-NH1 3.99Å; E117-S178 WeakPolarHBondContact CG-OG 2.93Å; E117-L180 HydrophobicContact CB-CD1 4.46Å
118C98.3Very high97.5Very high0 Ų042.6 Ų42.60%022%0.215CC..Hα-helixtrans-59.6-45.8171.8-71.60000111.7L89 K114 I115 K120 M121 A122L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.66Å; K114-C118 PolarHBondContact O-N 3.23Å; K114-C118 PolarHBondContact O-SG 3.13Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; I115-C118 PolarHBondContact O-N 3.07Å; C118-K120 PolarHBondContact O-N 3.33Å; C118-M121 PolarHBondContact O-N 3.44Å; C118-A122 WeakPolarHBondContact O-CB 3.25Å; C118-A122 PolarHBondContact O-N 2.93Å
119V98.2Very high97.6Very high7 Ų743.5 Ų43.54%0.04222%0.221CC..Hα-helixtrans-60.5-44.5176.5168.90000110.7L89 I93 M99 I115 E116 M121 A122 H123L89-V119 HydrophobicContact CB-CG2 4.25Å; L89-V119 HydrophobicContact CD2-CG2 4.17Å; I93-V119 HydrophobicContact CG2-CB 4.38Å; I93-V119 HydrophobicContact CG2-CG1 3.71Å; I93-V119 HydrophobicContact CG2-CG2 3.65Å; M99-V119 HydrophobicContact SD-CG2 4.35Å; I115-V119 HydrophobicContact CG2-CG2 4.16Å; I115-V119 WeakPolarHBondContact O-CB 2.98Å; I115-V119 VanDerWaalsContact O-CG2 3.28Å; I115-V119 WeakPolarHBondContact O-CG2 3.08Å; I115-V119 PolarHBondContact O-N 2.89Å; E116-V119 PolarHBondContact O-N 3.2Å; V119-M121 PolarHBondContact O-N 3.43Å; V119-A122 PolarHBondContact O-N 3.44Å; V119-H123 PolarHBondContact O-CD2 3.43Å; V119-H123 VanDerWaalsContact O-CD2 3.24Å; V119-H123 PolarHBondContact O-N 2.56Å
120K98Very high97.5Very high75 Ų7546.6 Ų46.633%0.32624%0.24SC..Hα-helixtrans-59.8-44.1175.1-73.9169.9-173.6165.30112E116 E117 C118 R124E116-K120 WeakPolarHBondContact O-CG 3.41Å; E116-K120 PolarHBondContact O-N 3.17Å; E116-K120 VanDerWaalsContact OE1-CE 3.28Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 2.69Å; E116-K120 PolarHBondContact OE1-NZ 2.79Å; E117-K120 PolarHBondContact O-N 2.94Å; C118-K120 PolarHBondContact O-N 3.33Å; K120-R124 WeakPolarHBondContact O-CD 3.39Å; K120-R124 VanDerWaalsContact O-CG 3.25Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 3.3Å
121M98.3Very high97.5Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-64.8-43.4176.2-71.7-171.6-68.800111.8Y83 E117 C118 V119 R124 A125 L181Y83-M121 HydrophobicContact CD2-CB 4.48Å; Y83-M121 HydrophobicContact CG-CB 4.32Å; E117-M121 HydrophobicContact CG-CE 4.38Å; E117-M121 WeakPolarHBondContact O-CG 3.1Å; E117-M121 PolarHBondContact O-N 2.91Å; C118-M121 PolarHBondContact O-N 3.44Å; V119-M121 PolarHBondContact O-N 3.43Å; M121-R124 PolarHBondContact O-N 3.3Å; M121-A125 WeakPolarHBondContact O-CB 3.49Å; M121-A125 PolarHBondContact O-N 3.2Å; M121-L181 HydrophobicContact CE-CD1 3.81Å
122A98.3Very high97.4Very high0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-62.5-43.4179.200000112.5L89 C118 V119 R124 A125 G126 L127 L128L89-A122 HydrophobicContact CD1-CB 4.19Å; C118-A122 WeakPolarHBondContact O-CB 3.25Å; C118-A122 PolarHBondContact O-N 2.93Å; V119-A122 PolarHBondContact O-N 3.44Å; A122-R124 PolarHBondContact O-N 3.25Å; A122-A125 PolarHBondContact O-N 2.9Å; A122-G126 PolarHBondContact O-N 3.35Å; A122-L127 HydrophobicContact CB-CB 4.38Å; A122-L127 HydrophobicContact CB-CD1 4.31Å; A122-L127 PolarHBondContact O-N 2.89Å; A122-L128 HydrophobicContact CB-CD1 4.13Å
123H97.8Very high97.2Very high63 Ų6354.9 Ų54.929%0.29228%0.279SS..Hα-helixtrans-62.1-42.2174.2-82.5-64000112.3G97 V119 A125 G126 H131G97-H123 WeakPolarHBondContact CA-NE2 3.31Å; G97-H123 PolarHBondContact O-NE2 3.3Å; V119-H123 PolarHBondContact O-CD2 3.43Å; V119-H123 VanDerWaalsContact O-CD2 3.24Å; V119-H123 PolarHBondContact O-N 2.56Å; H123-A125 VanDerWaalsContact C-N 3.31Å; H123-A125 PolarHBondContact O-N 3.02Å; H123-G126 PolarHBondContact O-N 3.17Å; H123-H131 PolarHBondContact CE1-O 3.03Å
124R97.1Very high97Very high63 Ų6357.9 Ų57.924%0.23829%0.291CS..Hα-helixtrans-67.9-33.1177.6-68.2168.2-168.4148.9-2.3112.2E117 K120 M121 A122 G126 R149 T152 R153E117-R124 IonicContact OE1-NH1 3.99Å; K120-R124 WeakPolarHBondContact O-CD 3.39Å; K120-R124 VanDerWaalsContact O-CG 3.25Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 3.3Å; M121-R124 PolarHBondContact O-N 3.3Å; A122-R124 PolarHBondContact O-N 3.25Å; R124-G126 VanDerWaalsContact C-N 3.28Å; R124-R149 VanDerWaalsContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CD 3.46Å; R124-R149 WeakPolarHBondContact O-CG 3.5Å; R124-T152 WeakPolarHBondContact CB-OG1 3.5Å; R124-T152 WeakPolarHBondContact CD-OG1 3.34Å; R124-T152 PolarHBondContact NH1-O 3.17Å; R124-R153 PolarHBondContact NH1-O 3.28Å; R124-R153 PolarHBondContact NH2-O 3.15Å
125A97.5Very high96.8Very high29 Ų2962.1 Ų62.124%0.2431%0.313CS..Hα-helixtrans-77.9-11.2176.200000113.6Y83 M121 A122 H123 L127 R149Y83-A125 HydrophobicContact CE2-CB 4.4Å; M121-A125 WeakPolarHBondContact O-CB 3.49Å; M121-A125 PolarHBondContact O-N 3.2Å; A122-A125 PolarHBondContact O-N 2.9Å; H123-A125 VanDerWaalsContact C-N 3.31Å; H123-A125 PolarHBondContact O-N 3.02Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.14Å; A125-R149 VanDerWaalsContact CA-O 3.3Å; A125-R149 WeakPolarHBondContact CA-O 3.28Å
126G96.4Very high96.7Very high53 Ų5366.4 Ų66.455%0.54634%0.341SS..THydrogen-bonded Turntrans82.116.9178.500000114.8A122 H123 R124 L128A122-G126 PolarHBondContact O-N 3.35Å; H123-G126 PolarHBondContact O-N 3.17Å; R124-G126 VanDerWaalsContact C-N 3.28Å; G126-L128 VanDerWaalsContact C-N 3.28Å; G126-L128 PolarHBondContact O-N 3.38Å
127L97.8Very high96.5Very high69 Ų6972.8 Ų72.836%0.36137%0.371SS..  trans-75.1-15.4-177.6-60.5178.9000113.9Y83 V86 A122 A125 P129Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.25Å; Y83-L127 WeakPolarHBondContact O-CD1 3.4Å; V86-L127 HydrophobicContact CG2-CB 3.77Å; V86-L127 HydrophobicContact CG2-CD1 4.2Å; A122-L127 HydrophobicContact CB-CB 4.38Å; A122-L127 HydrophobicContact CB-CD1 4.31Å; A122-L127 PolarHBondContact O-N 2.89Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.14Å; L127-P129 VanDerWaalsContact O-CD 3.23Å; L127-P129 WeakPolarHBondContact O-CD 3.33Å
128L96.5Very high96.2Very high10 Ų1075.4 Ų75.45%0.05241%0.406CS..  trans-11867.1-176.2-67.2170.9000111.5V86 I93 A122 G126 N130 H131V86-L128 HydrophobicContact CG1-CD2 3.63Å; I93-L128 HydrophobicContact CD1-CD1 3.95Å; I93-L128 HydrophobicContact CD1-CD2 4.06Å; A122-L128 HydrophobicContact CB-CD1 4.13Å; G126-L128 VanDerWaalsContact C-N 3.28Å; G126-L128 PolarHBondContact O-N 3.38Å; L128-N130 PolarHBondContact O-N 3.37Å; L128-H131 HydrophobicContact CB-CB 4.28Å; L128-H131 PolarHBondContact O-N 2.94Å
129P95.9Very high96.1Very high70 Ų7079.1 Ų79.146%0.45543%0.428SS..THydrogen-bonded Turntrans-68.1-32.3-174.927-34.9000113.5L127 H131 R132L127-P129 VanDerWaalsContact O-CD 3.23Å; L127-P129 WeakPolarHBondContact O-CD 3.33Å; P129-H131 VanDerWaalsContact C-N 3.3Å; P129-H131 PolarHBondContact O-N 3.48Å; P129-R132 WeakPolarHBondContact O-CD 3.43Å; P129-R132 WeakPolarHBondContact O-CG 3.27Å; P129-R132 PolarHBondContact O-NE 3.16Å
130N95.9Very high95.9Very high148 Ų14884.8 Ų84.879%0.79146%0.462SS*.THydrogen-bonded Turntrans-78.6-15-178.4-62.3-19.7000113.1L128 R132L128-N130 PolarHBondContact O-N 3.37Å; N130-R132 PolarHBondContact O-N 3.37Å
131H95.8Very high95.6Very high47 Ų4785.5 Ų85.522%0.21848%0.475CS..  trans-101.957.7-177.2-62.9-87.9000111.6I93 R94 P95 H123 L128 P129I93-H131 HydrophobicContact CD1-CB 4.23Å; R94-H131 PolarHBondContact O-ND1 3.01Å; P95-H131 WeakPolarHBondContact O-CA 3.15Å; H123-H131 PolarHBondContact CE1-O 3.03Å; L128-H131 HydrophobicContact CB-CB 4.28Å; L128-H131 PolarHBondContact O-N 2.94Å; P129-H131 VanDerWaalsContact C-N 3.3Å; P129-H131 PolarHBondContact O-N 3.48Å
132R94.4Very high95.5Very high177 Ų17794.4 Ų94.467%0.66851%0.514SS*.PPolyproline II helixtrans-96.6153178.5-74179.4-176.1-166.13.1111.4P129 N130P129-R132 WeakPolarHBondContact O-CD 3.43Å; P129-R132 WeakPolarHBondContact O-CG 3.27Å; P129-R132 PolarHBondContact O-NE 3.16Å; N130-R132 PolarHBondContact O-N 3.37Å
133P94.8Very high95.2Very high95 Ų95100.4 Ų100.462%0.61756%0.556SS**PPolyproline II helixtrans-61.6144.6171.427.1-34.4000110.2L135P133-L135 PolarHBondContact O-N 3.2Å
134R93.1Very high95Very high204 Ų204105.8 Ų105.877%0.7758%0.578SS**PPolyproline II helixtrans-67.1130.8170.1-73.3-179.6175.4164.29.1108.8H96H96-R134 VanDerWaalsContact CE1-CD 3.48Å; H96-R134 WeakPolarHBondContact CE1-CD 3.45Å; H96-R134 VanDerWaalsContact CE1-CG 3.47Å; H96-R134 WeakPolarHBondContact CE1-CG 3.34Å; H96-R134 VanDerWaalsContact CE1-CZ 3.48Å; H96-R134 PolarHBondContact CE1-NE 3.32Å; H96-R134 PolarHBondContact NE2-NE 3.49Å
135L94.1Very high94.9Very high100 Ų100108.3 Ų108.352%0.52460%0.603SS.*PPolyproline II helixtrans-89.2143.4171.3-63.4173.5000108.6P133 P141P133-L135 PolarHBondContact O-N 3.2Å; L135-P141 HydrophobicContact CD1-CG 3.45Å; L135-P141 VanDerWaalsContact CD1-CG 3.45Å
136P95.4Very high94.7Very high90 Ų90115.9 Ų115.958%0.58463%0.633SS**PPolyproline II helixtrans-66.4159.3171.629.5-33.3000110.5V139P136-V139 HydrophobicContact CG-CB 4.17Å; P136-V139 HydrophobicContact CG-CG2 3.66Å; P136-V139 PolarHBondContact O-N 3.11Å
137E93.9Very high94.7Very high200 Ų200119 Ų11994%0.93564%0.636SS**THydrogen-bonded Turntrans-57.3139.7-179.6-63.3178.1-174.300111.2V139E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 3.22Å
138G93.3Very high94.7Very high84 Ų84123.7 Ų123.787%0.86666%0.662SS**THydrogen-bonded Turntrans78.4-3.9-179.700000116.1V140G138-V140 PolarHBondContact O-N 3.3Å
139V95Very high94.7Very high77 Ų77127.2 Ų127.247%0.46768%0.675SS.*  trans-91.3107.4178.8177.90000111.7P136 E137P136-V139 HydrophobicContact CG-CB 4.17Å; P136-V139 HydrophobicContact CG-CG2 3.66Å; P136-V139 PolarHBondContact O-N 3.11Å; E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 3.22Å
140V94Very high94.8Very high126 Ų126131.7 Ų131.776%0.76468%0.684SS**PPolyproline II helixtrans-96.7120.4172.2-176.60000110G138 K142G138-V140 PolarHBondContact O-N 3.3Å; V140-K142 PolarHBondContact O-N 3.08Å
141P92.9Very high94.9Very high90 Ų90127 Ų12758%0.58466%0.658SS**PPolyproline II helixtrans-62.4131.7177-23.234.2000112.1L135L135-P141 HydrophobicContact CD1-CG 3.45Å; L135-P141 VanDerWaalsContact CD1-CG 3.45Å
142K94.9Very high95Very high188 Ų188126.1 Ų126.182%0.81766%0.656SS**PPolyproline II helixtrans-63.3147171.3-64.2-175.3178.8-176.30111V140 K144V140-K142 PolarHBondContact O-N 3.08Å; K142-K144 PolarHBondContact O-N 2.97Å
143S93.8Very high95.1Very high126 Ų126118.8 Ų118.888%0.88163%0.629SS**PPolyproline II helixtrans-63.5122.316953.30000109.4
144K93.3Very high95.2Very high175 Ų175121.3 Ų121.376%0.76163%0.626SS**  trans-113.3151.8173.2-67.4179.8-178.1177.60108.5K142 Q146K142-K144 PolarHBondContact O-N 2.97Å; K144-Q146 PolarHBondContact O-N 2.95Å
145P95Very high95.4Very high117 Ų117113.6 Ų113.676%0.7661%0.606SS**  trans-53.7125.8172.3-25.334.1000111L147P145-L147 PolarHBondContact O-N 3.32Å
146Q93.5Very high95.4Very high187 Ų187112.4 Ų112.487%0.87460%0.604SS**  trans-81.4103178.2-66.1-175.4-3.100108.8K144K144-Q146 PolarHBondContact O-N 2.95Å
147L95.8Very high95.4Very high118 Ų118112.1 Ų112.162%0.61862%0.618SS**  trans-108.3106.7-180-61.7177.6000109.8P145 R149P145-L147 PolarHBondContact O-N 3.32Å; L147-R149 PolarHBondContact O-N 3.19Å; L147-R149 PolarHBondContact O-NE 3.32Å
148N97.2Very high95.6Very high168 Ų168106.3 Ų106.390%0.89860%0.599SS**  trans-61.3132.2175.2-64.5-21.5000109.9
149R96.9Very high95.8Very high85 Ų85106.4 Ų106.432%0.32158%0.583SS.*  trans-151.3152.8-176.767.6-172.770.2-147.67.5110.1R124 A125 L147 T152 P156R124-R149 VanDerWaalsContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CD 3.46Å; R124-R149 WeakPolarHBondContact O-CG 3.5Å; A125-R149 VanDerWaalsContact CA-O 3.3Å; A125-R149 WeakPolarHBondContact CA-O 3.28Å; L147-R149 PolarHBondContact O-N 3.19Å; L147-R149 PolarHBondContact O-NE 3.32Å; R149-T152 HydrophobicContact CB-CG2 3.81Å; R149-T152 HydrophobicContact CG-CG2 4.03Å; R149-P156 VanDerWaalsContact NH1-CB 3.27Å
150Y97.8Very high95.9Very high164 Ų164111.2 Ų111.264%0.64360%0.597SS**  trans-151.8163.9175.960.7-84.9000109.3T152Y150-T152 WeakPolarHBondContact O-CG2 3.32Å; Y150-T152 PolarHBondContact O-N 3Å
151L97.5Very high96Very high49 Ų49109.1 Ų109.126%0.25759%0.586SS.*SBendtrans51.130.4-178.9-68.8168.9000114.3Y83 R153 V176 G177Y83-L151 HydrophobicContact CD1-CD2 3.58Å; Y83-L151 HydrophobicContact CD1-CG 4.36Å; Y83-L151 HydrophobicContact CE1-CD2 3.29Å; Y83-L151 HydrophobicContact CE1-CG 3.66Å; L151-R153 PolarHBondContact O-N 3.3Å; L151-V176 HydrophobicContact CB-CG1 3.82Å; L151-V176 HydrophobicContact CD1-CG1 4.23Å; L151-G177 PolarHBondContact O-N 3.45Å
152T97.5Very high96.2Very high29 Ų29108.1 Ų108.118%0.17858%0.576CS.*  trans-84.3112.5-175.354.30000111.8R124 R149 Y150R124-T152 WeakPolarHBondContact CB-OG1 3.5Å; R124-T152 WeakPolarHBondContact CD-OG1 3.34Å; R124-T152 PolarHBondContact NH1-O 3.17Å; R149-T152 HydrophobicContact CB-CG2 3.81Å; R149-T152 HydrophobicContact CG-CG2 4.03Å; Y150-T152 WeakPolarHBondContact O-CG2 3.32Å; Y150-T152 PolarHBondContact O-N 3Å
153R97Very high96.4Very high23 Ų23109 Ų1099%0.08758%0.575CS.*  trans-72.9-43.9178.4-170.4-178.2-60.7167.69113.8R124 L151 V176 G177 L194 Y195R124-R153 PolarHBondContact NH1-O 3.28Å; R124-R153 PolarHBondContact NH2-O 3.15Å; L151-R153 PolarHBondContact O-N 3.3Å; R153-V176 PolarHBondContact NH2-O 2.92Å; R153-G177 WeakPolarHBondContact CB-O 3.23Å; R153-G177 VanDerWaalsContact CZ-O 3.3Å; R153-G177 PolarHBondContact NE-O 3.25Å; R153-G177 PolarHBondContact NH2-O 3.18Å; R153-L194 PolarHBondContact NH2-O 2.87Å; R153-Y195 PolarHBondContact NH1-OH 2.83Å
154W97.5Very high96.5Very high147 Ų147111.9 Ų111.956%0.55757%0.572SS**SBendtrans-98.6156.9-172.5-61115.2000112.4V159W154-V159 HydrophobicContact CB-CG2 3.44Å; W154-V159 VanDerWaalsContact CB-CG2 3.44Å; W154-V159 HydrophobicContact CG-CG2 4.16Å
155A96.9Very high96.7Very high43 Ų43109.5 Ų109.536%0.35556%0.561SS.*  trans-67.5136.1172.200000109.7G157 S158A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.06Å; A155-S158 PolarHBondContact O-N 3.27Å; A155-S158 VanDerWaalsContact O-N 3.1Å; A155-S158 PolarHBondContact O-OG 3.04Å
156P95.1Very high96.7Very high74 Ų74106.2 Ų106.248%0.48155%0.549SS..G310 helixtrans-58.5-36.2-174.1-28.637.7000114.3R149R149-P156 VanDerWaalsContact NH1-CB 3.27Å
157G95.1Very high96.9Very high85 Ų85100.1 Ų100.188%0.87653%0.525SS*.G310 helixtrans-81.2-8.6-17900000115.1A155A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.06Å
158S97.1Very high97Very high78 Ų78106 Ų10655%0.54554%0.54SS..G310 helixtrans-98.8-8.6-177.969.40000113.6A155A155-S158 PolarHBondContact O-N 3.27Å; A155-S158 VanDerWaalsContact O-N 3.1Å; A155-S158 PolarHBondContact O-OG 3.04Å
159V97.2Very high96.9Very high85 Ų85108.9 Ų108.952%0.51554%0.538SS..PPolyproline II helixtrans-92.8123.1-176.4-178.30000109.7W154W154-V159 HydrophobicContact CB-CG2 3.44Å; W154-V159 VanDerWaalsContact CB-CG2 3.44Å; W154-V159 HydrophobicContact CG-CG2 4.16Å
160K97.4Very high96.9Very high178 Ų178110.4 Ų110.477%0.77455%0.552SS**PPolyproline II helixtrans-85.6145170.9-66.5-176.6-179.6-179.70110.4
161P97.8Very high96.9Very high82 Ų82107.2 Ų107.253%0.53254%0.542SS..PPolyproline II helixtrans-64.3142.4175.127.8-35.2000111.3Y163P161-Y163 HydrophobicContact CB-CE1 4.47Å; P161-Y163 HydrophobicContact CG-CE1 3.99Å; P161-Y163 HydrophobicContact CG-CE2 3.88Å; P161-Y163 WeakPolarHBondContact CG-OH 3.31Å; P161-Y163 PolarHBondContact O-N 3.28Å
162I97Very high96.8Very high70 Ų70108.2 Ų108.236%0.35955%0.55SS..  trans-85.196.9175.5-59.4164.2000108.2K164 K165 V172 M174I162-K164 WeakPolarHBondContact CG2-O 3.45Å; I162-K165 HydrophobicContact CG2-CG 4.15Å; I162-V172 HydrophobicContact CD1-CB 4.45Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.24Å; I162-V172 HydrophobicContact CG2-CB 4.18Å; I162-V172 HydrophobicContact CG2-CG1 4.26Å; I162-M174 HydrophobicContact CD1-CG 4.17Å
163Y97.4Very high96.8Very high205 Ų205109.2 Ų109.280%0.80456%0.557SS**SBendtrans-70.9-35.9178.2-62.7-69.1000113P161P161-Y163 HydrophobicContact CB-CE1 4.47Å; P161-Y163 HydrophobicContact CG-CE1 3.99Å; P161-Y163 HydrophobicContact CG-CE2 3.88Å; P161-Y163 WeakPolarHBondContact CG-OH 3.31Å; P161-Y163 PolarHBondContact O-N 3.28Å
164K97.1Very high96.8Very high188 Ų188112.8 Ų112.882%0.81758%0.577SS**  trans-120.4109.4-179.1-63.6-179.2-179.3-179.50109.5I162I162-K164 WeakPolarHBondContact CG2-O 3.45Å
165K96.1Very high96.9Very high124 Ų124107.9 Ų107.954%0.53956%0.563SS.*  trans-79.5-23.6-177.8-70.6-177.5-179.5174.60114.2I162 K171 V172I162-K165 HydrophobicContact CG2-CG 4.15Å; K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.33Å; K165-V172 PolarHBondContact O-N 3.25Å
166G96.6Very high96.9Very high48 Ų48108 Ų10850%0.49556%0.559SS.*  trans80.4169.7-176.700000114.1
167P97.6Very high97Very high59 Ų59104.7 Ų104.738%0.38354%0.539SS..  trans-71.4169.3176.132.3-36.5000111.8W169 N170 K171P167-W169 VanDerWaalsContact C-N 3.28Å; P167-W169 HydrophobicContact CB-CD2 3.93Å; P167-W169 HydrophobicContact CB-CE3 4.16Å; P167-W169 HydrophobicContact CB-CH2 3.76Å; P167-W169 HydrophobicContact CB-CZ2 3.5Å; P167-W169 VanDerWaalsContact CB-CZ2 3.5Å; P167-W169 HydrophobicContact CB-CZ3 4.08Å; P167-W169 HydrophobicContact CG-CD2 4.02Å; P167-W169 HydrophobicContact CG-CG 4.41Å; P167-W169 HydrophobicContact CG-CH2 4.37Å; P167-W169 HydrophobicContact CG-CZ2 3.59Å; P167-W169 PolarHBondContact O-N 2.9Å; P167-W169 VanDerWaalsContact O-N 3.16Å; P167-N170 HydrophobicContact CG-CB 4.39Å; P167-N170 CarbonylContact O-C 3.21Å; P167-N170 PolarHBondContact O-N 2.07Å; P167-K171 WeakPolarHBondContact O-CA 3.37Å; P167-K171 PolarHBondContact O-N 2.89Å
168R96.8Very high97.1Very high243 Ų243100.9 Ų100.992%0.91750%0.499SS*.G310 helixtrans-54.7-38.2-174.1-70.1-176-179.8177.30.7114.2
169W96.1Very high97.1Very high227 Ų22799.9 Ų99.986%0.8649%0.491SS*.G310 helixtrans-78.6-14-179.356.684.9000114.3P167P167-W169 VanDerWaalsContact C-N 3.28Å; P167-W169 HydrophobicContact CB-CD2 3.93Å; P167-W169 HydrophobicContact CB-CE3 4.16Å; P167-W169 HydrophobicContact CB-CH2 3.76Å; P167-W169 HydrophobicContact CB-CZ2 3.5Å; P167-W169 VanDerWaalsContact CB-CZ2 3.5Å; P167-W169 HydrophobicContact CB-CZ3 4.08Å; P167-W169 HydrophobicContact CG-CD2 4.02Å; P167-W169 HydrophobicContact CG-CG 4.41Å; P167-W169 HydrophobicContact CG-CH2 4.37Å; P167-W169 HydrophobicContact CG-CZ2 3.59Å; P167-W169 PolarHBondContact O-N 2.9Å; P167-W169 VanDerWaalsContact O-N 3.16Å
170N96.4Very high97.1Very high117 Ų11799.3 Ų99.363%0.62648%0.484SS*.G310 helixtrans-137.347.3177.3-169.116.5000110.2P167P167-N170 HydrophobicContact CG-CB 4.39Å; P167-N170 CarbonylContact O-C 3.21Å; P167-N170 PolarHBondContact O-N 2.07Å
171K96.8Very high97.1Very high97 Ų9791.6 Ų91.642%0.42245%0.452SS..  trans-78.8129.1-177.9-174.1-174.9175.9-159.50109.7K165 P167 C173 H196K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.33Å; P167-K171 WeakPolarHBondContact O-CA 3.37Å; P167-K171 PolarHBondContact O-N 2.89Å; K171-C173 PolarHBondContact O-N 2.75Å; K171-H196 PolarHBondContact NZ-OXT 2.94Å
172V97.3Very high97Very high70 Ų7094.8 Ų94.842%0.42445%0.453SS..  trans-76.6104.4170.2-1730000109I162 K165I162-V172 HydrophobicContact CD1-CB 4.45Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.24Å; I162-V172 HydrophobicContact CG2-CB 4.18Å; I162-V172 HydrophobicContact CG2-CG1 4.26Å; K165-V172 PolarHBondContact O-N 3.25Å
173C97Very high96.9Very high50 Ų5096.5 Ų96.534%0.33846%0.463SS..PPolyproline II helixtrans-83.4152.7179.4-60.80000112.3K171 Y195 H196K171-C173 PolarHBondContact O-N 2.75Å; C173-Y195 HydrophobicContact CB-CD1 4.45Å; C173-H196 CarbonylContact C-O 3.58Å; C173-H196 WeakPolarHBondContact CA-O 3.15Å
174M97.6Very high96.9Very high99 Ų9987.7 Ų87.749%0.48843%0.43SS..PPolyproline II helixtrans-91.7125.7177.5-66.9173.5-72.500110.1I162 Y195 H196I162-M174 HydrophobicContact CD1-CG 4.17Å; M174-Y195 WeakPolarHBondContact O-CA 2.96Å; M174-H196 PolarHBondContact N-O 3.25Å; M174-H196 PolarHBondContact O-N 3.17Å
175P97.7Very high96.9Very high43 Ų4381.6 Ų81.628%0.27941%0.408SS..BIsolated β-bridgetrans-74.3132.3-179.828.1-32.4000111.7L194 Y195P175-L194 WeakPolarHBondContact CA-O 3.31Å; P175-Y195 HydrophobicContact CB-CD1 4.09Å; P175-Y195 HydrophobicContact CB-CE1 3.85Å
176V97.8Very high97Very high45 Ų4577.8 Ų77.827%0.27340%0.397SS..  trans-128.7138.4176-176.70000109L151 R153 L194L151-V176 HydrophobicContact CB-CG1 3.82Å; L151-V176 HydrophobicContact CD1-CG1 4.23Å; R153-V176 PolarHBondContact NH2-O 2.92Å; V176-L194 PolarHBondContact N-O 3.03Å; V176-L194 CarbonylContact O-C 3.59Å; V176-L194 WeakPolarHBondContact O-CA 3.39Å; V176-L194 VanDerWaalsContact O-O 3.13Å
177G96.6Very high97Very high6 Ų685.4 Ų85.46%0.06241%0.412CS..SBendtrans66.1-165.6-176.300000113.4L151 R153L151-G177 PolarHBondContact O-N 3.45Å; R153-G177 WeakPolarHBondContact CB-O 3.23Å; R153-G177 VanDerWaalsContact CZ-O 3.3Å; R153-G177 PolarHBondContact NE-O 3.25Å; R153-G177 PolarHBondContact NH2-O 3.18Å
178S97.3Very high96.9Very high5 Ų585.6 Ų85.64%0.03542%0.415CS..  trans-116.1137.9179.4177.50000112E117 L180 L181E117-S178 WeakPolarHBondContact CG-OG 2.93Å; S178-L180 PolarHBondContact O-N 3.44Å; S178-L180 PolarHBondContact OG-N 3.07Å; S178-L181 PolarHBondContact O-N 3.31Å
179P97.6Very high97Very high56 Ų5686.3 Ų86.336%0.36442%0.418SS..G310 helixtrans-66.2-20.417329.7-35.1000113.1L181 R182 L194P179-L181 PolarHBondContact O-N 2.94Å; P179-R182 VanDerWaalsContact O-CB 3.31Å; P179-R182 WeakPolarHBondContact O-CB 3.41Å; P179-R182 PolarHBondContact O-N 3.36Å; P179-L194 HydrophobicContact CB-CD1 4.28Å
180L97.4Very high97Very high73 Ų7380.2 Ų80.238%0.38241%0.405SS..G310 helixtrans-68.4-19.2178.2-59.2179.9000113R113 K114 E117 S178R113-L180 HydrophobicContact CB-CD1 4.09Å; K114-L180 VanDerWaalsContact CE-O 3.23Å; K114-L180 WeakPolarHBondContact CE-O 3.27Å; K114-L180 HydrophobicContact CG-CB 4.08Å; E117-L180 HydrophobicContact CB-CD1 4.46Å; S178-L180 PolarHBondContact O-N 3.44Å; S178-L180 PolarHBondContact OG-N 3.07Å
181L96.8Very high97Very high16 Ų1680 Ų808%0.08441%0.41CS..G310 helixtrans-100.112.4179.4-58.5175.6000112.2K114 M121 S178 P179 D183 N184K114-L181 HydrophobicContact CB-CD2 4.02Å; K114-L181 HydrophobicContact CD-CD2 4.25Å; K114-L181 HydrophobicContact CG-CD2 4.06Å; M121-L181 HydrophobicContact CE-CD1 3.81Å; S178-L181 PolarHBondContact O-N 3.31Å; P179-L181 PolarHBondContact O-N 2.94Å; L181-D183 PolarHBondContact O-N 3.1Å; L181-N184 WeakPolarHBondContact O-CB 3.42Å; L181-N184 PolarHBondContact O-N 2.98Å; L181-N184 VanDerWaalsContact O-N 3.17Å
182R95.8Very high96.9Very high149 Ų14981.5 Ų81.556%0.56241%0.414SS*.THydrogen-bonded Turntrans-59.4-35-179.9-177.9-178.9-66.1-176.3-0.6112.3P179 N184P179-R182 VanDerWaalsContact O-CB 3.31Å; P179-R182 WeakPolarHBondContact O-CB 3.41Å; P179-R182 PolarHBondContact O-N 3.36Å; R182-N184 PolarHBondContact O-N 3.43Å
183D96.1Very high96.9Very high107 Ų10784.8 Ų84.857%0.57242%0.422SS*.THydrogen-bonded Turntrans-81.94.7-176.2-49.1-27.1000112.5H79 L181H79-D183 PolarHBondContact ND1-O 3.21Å; L181-D183 PolarHBondContact O-N 3.1Å
184N97.2Very high96.9Very high19 Ų1983.3 Ų83.310%0.10241%0.411CS..SBendtrans-63.7147.1175.9-81.58.4000110.7H79 Y81 L181 R182 C186 W192H79-N184 WeakPolarHBondContact O-CA 3.37Å; Y81-N184 PolarHBondContact O-ND2 3.41Å; L181-N184 WeakPolarHBondContact O-CB 3.42Å; L181-N184 PolarHBondContact O-N 2.98Å; L181-N184 VanDerWaalsContact O-N 3.17Å; R182-N184 PolarHBondContact O-N 3.43Å; N184-C186 PolarHBondContact O-N 3.37Å; N184-C186 VanDerWaalsContact O-N 3.07Å; N184-W192 PolarHBondContact O-NE1 2.88Å
185V97.2Very high96.9Very high61 Ų6184 Ų8437%0.3741%0.409SS..  trans-55.3118.5179179.30000109H79 Y187H79-V185 HydrophobicContact CB-CG2 4.13Å; H79-V185 PolarHBondContact O-N 3.02Å; V185-Y187 HydrophobicContact CB-CE2 4.41Å; V185-Y187 HydrophobicContact CG1-CD1 4.22Å; V185-Y187 HydrophobicContact CG1-CD2 4.36Å; V185-Y187 HydrophobicContact CG1-CE1 3.79Å; V185-Y187 HydrophobicContact CG1-CE2 3.93Å; V185-Y187 HydrophobicContact CG1-CG 4.49Å
186C96.9Very high96.8Very high44 Ų4486.6 Ų86.630%0.29742%0.417SS..  trans-98.7115.9172.4-169.70000108.5N184 S188 T190 W192N184-C186 PolarHBondContact O-N 3.37Å; N184-C186 VanDerWaalsContact O-N 3.07Å; C186-S188 VanDerWaalsContact C-N 3.26Å; C186-S188 PolarHBondContact SG-O 2.81Å; C186-S188 PolarHBondContact SG-OG 3.44Å; C186-T190 PolarHBondContact SG-O 2.73Å; C186-W192 HydrophobicContact CB-CZ2 4.32Å
187Y96.4Very high96.7Very high207 Ų20788.7 Ų88.781%0.81242%0.424SS*.  trans-81.7-7.9176-63.4-76.8000112.9V185V185-Y187 HydrophobicContact CB-CE2 4.41Å; V185-Y187 HydrophobicContact CG1-CD1 4.22Å; V185-Y187 HydrophobicContact CG1-CD2 4.36Å; V185-Y187 HydrophobicContact CG1-CE1 3.79Å; V185-Y187 HydrophobicContact CG1-CE2 3.93Å; V185-Y187 HydrophobicContact CG1-CG 4.49Å
188S97.1Very high96.7Very high64 Ų6493 Ų9345%0.44844%0.443SS..SBendtrans-101.9160.3177.682.40000111.4C186 T190C186-S188 VanDerWaalsContact C-N 3.26Å; C186-S188 PolarHBondContact SG-O 2.81Å; C186-S188 PolarHBondContact SG-OG 3.44Å; S188-T190 PolarHBondContact O-N 3.44Å; S188-T190 PolarHBondContact OG-N 3.38Å; S188-T190 PolarHBondContact OG-O 3.27Å; S188-T190 PolarHBondContact OG-OG1 3.17Å
189R96.9Very high96.7Very high257 Ų25797.9 Ų97.997%0.9747%0.466SS*.SBendtrans-69.1-25.6174-64.6-175.3-179.3-179.10.4112.6
190T96.4Very high96.6Very high99 Ų99100.4 Ų100.461%0.60747%0.472SS*.SBendtrans-84.2131-179.446.20000110.6C186 S188C186-T190 PolarHBondContact SG-O 2.73Å; S188-T190 PolarHBondContact O-N 3.44Å; S188-T190 PolarHBondContact OG-N 3.38Å; S188-T190 PolarHBondContact OG-O 3.27Å; S188-T190 PolarHBondContact OG-OG1 3.17Å
191P96.3Very high96.6Very high112 Ų112102.1 Ų102.173%0.72748%0.477SS*.  trans-70.5161.9177.230.4-35.5000111.5K193P191-K193 PolarHBondContact O-N 2.85Å; P191-K193 VanDerWaalsContact O-N 3.11Å
192W96.3Very high96.6Very high130 Ų130107.8 Ų107.849%0.49250%0.504SS..  trans-59.5114.1175.2-59.3114.5000111.5N184 C186 L194N184-W192 PolarHBondContact O-NE1 2.88Å; C186-W192 HydrophobicContact CB-CZ2 4.32Å; W192-L194 PolarHBondContact O-N 3.15Å
193K97Very high96.6Very high139 Ų139104.9 Ų104.960%0.60450%0.5SS*.  trans-83.8111.6175.3-169.8172.9-178.4176.30109.8P191 Y195 H196P191-K193 PolarHBondContact O-N 2.85Å; P191-K193 VanDerWaalsContact O-N 3.11Å; K193-Y195 WeakPolarHBondContact CE-O 3.48Å; K193-Y195 WeakPolarHBondContact CG-O 3.48Å; K193-H196 PolarHBondContact O-NE2 3.38Å
194L97.1Very high96.7Very high19 Ų19104.7 Ų104.710%0.09949%0.494CS..  trans-100.1-2.2-175.4-62.7174.2000114.1R153 P175 V176 P179 W192R153-L194 PolarHBondContact NH2-O 2.87Å; P175-L194 WeakPolarHBondContact CA-O 3.31Å; V176-L194 PolarHBondContact N-O 3.03Å; V176-L194 CarbonylContact O-C 3.59Å; V176-L194 WeakPolarHBondContact O-CA 3.39Å; V176-L194 VanDerWaalsContact O-O 3.13Å; P179-L194 HydrophobicContact CB-CD1 4.28Å; W192-L194 PolarHBondContact O-N 3.15Å
195Y97.4Very high96.6Very high113 Ų113111.8 Ų111.844%0.44353%0.527SS..BIsolated β-bridgetrans-142.4129-178.2-65.9-82.8000109.7R153 C173 M174 P175 K193R153-Y195 PolarHBondContact NH1-OH 2.83Å; C173-Y195 HydrophobicContact CB-CD1 4.45Å; M174-Y195 WeakPolarHBondContact O-CA 2.96Å; P175-Y195 HydrophobicContact CB-CD1 4.09Å; P175-Y195 HydrophobicContact CB-CE1 3.85Å; K193-Y195 WeakPolarHBondContact CE-O 3.48Å; K193-Y195 WeakPolarHBondContact CG-O 3.48Å
196H94.3Very high96.6Very high97 Ų97116.5 Ų116.545%0.44954%0.541SS..  trans-120.50-175.8-70.2-106.9000112.8K171 C173 M174 K193K171-H196 PolarHBondContact NZ-OXT 2.94Å; C173-H196 CarbonylContact C-O 3.58Å; C173-H196 WeakPolarHBondContact CA-O 3.15Å; M174-H196 PolarHBondContact N-O 3.25Å; M174-H196 PolarHBondContact O-N 3.17Å; K193-H196 PolarHBondContact O-NE2 3.38Å

Retrieved 196 of 196 residues in 120.6 ms (Link to these results)