A0A087YDD6_POEFO Loading...

DUF4614 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YDD6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 683 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
1M39.2Very low52.8Low229 Ų229134.9 Ų134.9100%1.12873%0.732SS**  0720-173.2177.776.300110.2
2W33.6Very low54.6Low236 Ų236130.8 Ų130.889%0.89471%0.709SS**  trans-141.4116.2-179-69.985.1000109.9V4W2-V4 HydrophobicContact CE3-CG2 4.04Å
3K38.8Very low56.1Low211 Ų211135.1 Ų135.192%0.91771%0.709SS**  trans-127.879.8169-82.6-171.4176.4-179.90108.4S5K3-S5 PolarHBondContact O-N 3.45Å
4V45.2Very low57.6Low123 Ų123128.8 Ų128.875%0.74569%0.686SS**  trans-89.786.2176.1-175.90000108.6W2 G6W2-V4 HydrophobicContact CE3-CG2 4.04Å; V4-G6 PolarHBondContact O-N 3.1Å
5S48.8Very low59Low112 Ų112127.1 Ų127.178%0.78367%0.672SS**  trans-81.152.2-179.7-1760000112.4K3 R7K3-S5 PolarHBondContact O-N 3.45Å; S5-R7 PolarHBondContact O-N 3.11Å
6G46.5Very low59.6Low61 Ų61123.1 Ų123.163%0.62966%0.663SS**  trans-75.286.5175.500000111.7V4 S8V4-G6 PolarHBondContact O-N 3.1Å; G6-S8 PolarHBondContact O-N 3.2Å
7R56.4Low60.5Low170 Ų170124.5 Ų124.564%0.64267%0.669SS**  trans-70.5110.8166.1-77.9-171.2175-154.30.4108.8S5 S9 E15S5-R7 PolarHBondContact O-N 3.11Å; R7-S9 PolarHBondContact O-N 2.72Å; R7-E15 IonicContact NH1-OE2 2.66Å
8S61.4Low60.9Low80 Ų80126.1 Ų126.156%0.55968%0.676SS**  trans-54.4134.1178.2-470000111.3G6 A10 L11 N12G6-S8 PolarHBondContact O-N 3.2Å; S8-A10 PolarHBondContact O-N 3.08Å; S8-A10 VanDerWaalsContact O-N 3.15Å; S8-L11 WeakPolarHBondContact O-CB 3.37Å; S8-L11 PolarHBondContact O-N 2.89Å; S8-N12 PolarHBondContact O-N 3.11Å
9S64.3Low60.9Low97 Ų97122.8 Ų122.868%0.67867%0.665SS**Hα-helixtrans-59.2-29-179.355.80000113.2R7 L11 N12 R13R7-S9 PolarHBondContact O-N 2.72Å; S9-L11 VanDerWaalsContact C-N 3.32Å; S9-L11 PolarHBondContact O-N 3.42Å; S9-N12 PolarHBondContact O-N 3.07Å; S9-R13 PolarHBondContact O-N 2.59Å
10A69Low60.5Low71 Ų71120.3 Ų120.359%0.58767%0.668SS**Hα-helixtrans-60.1-36.8170.600000113.1S8 R13 A14S8-A10 PolarHBondContact O-N 3.08Å; S8-A10 VanDerWaalsContact O-N 3.15Å; A10-R13 PolarHBondContact O-N 3.09Å; A10-A14 PolarHBondContact O-N 2.81Å
11L77.3Confident59.5Low94 Ų94122.9 Ų122.949%0.49267%0.673SS.*Hα-helixtrans-70.5-43.1179.4-170.7150.8000110.9S8 S9 R13 A14 E15S8-L11 WeakPolarHBondContact O-CB 3.37Å; S8-L11 PolarHBondContact O-N 2.89Å; S9-L11 VanDerWaalsContact C-N 3.32Å; S9-L11 PolarHBondContact O-N 3.42Å; L11-R13 PolarHBondContact O-N 3.4Å; L11-A14 PolarHBondContact O-N 3.13Å; L11-E15 VanDerWaalsContact O-CB 3.32Å; L11-E15 WeakPolarHBondContact O-CB 3.08Å; L11-E15 PolarHBondContact O-N 3.5Å
12N75.1Confident59.8Low85 Ų85123.7 Ų123.746%0.45566%0.663SS.*Hα-helixtrans-61.4-34.2171.3-75.813.4000111.9S8 S9 A16S8-N12 PolarHBondContact O-N 3.11Å; S9-N12 PolarHBondContact O-N 3.07Å; N12-A16 WeakPolarHBondContact O-CB 3.32Å; N12-A16 PolarHBondContact O-N 2.91Å
13R73.2Confident59.9Low187 Ų187117.2 Ų117.271%0.70665%0.654SS**Hα-helixtrans-71.3-38.5178.2-155.8-179.8-69.4-148.62.2111.8S9 A10 L11 L17S9-R13 PolarHBondContact O-N 2.59Å; A10-R13 PolarHBondContact O-N 3.09Å; L11-R13 PolarHBondContact O-N 3.4Å; R13-L17 WeakPolarHBondContact O-CG 3.18Å; R13-L17 PolarHBondContact O-N 2.76Å
14A77.8Confident59.8Low47 Ų47112.6 Ų112.639%0.38865%0.648SS.*Hα-helixtrans-67.8-43171.400000112.3A10 L11 A16 L17 L18A10-A14 PolarHBondContact O-N 2.81Å; L11-A14 PolarHBondContact O-N 3.13Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.12Å; A14-L17 PolarHBondContact O-N 2.97Å; A14-L18 WeakPolarHBondContact O-CB 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.47Å; A14-L18 PolarHBondContact O-N 2.81Å
15E77.6Confident59.4Low103 Ų103112.8 Ų112.848%0.48165%0.65SS.*Hα-helixtrans-61.6-39.7176.2-170.5170.5-166.600111.2R7 L11 S19R7-E15 IonicContact NH1-OE2 2.66Å; L11-E15 VanDerWaalsContact O-CB 3.32Å; L11-E15 WeakPolarHBondContact O-CB 3.08Å; L11-E15 PolarHBondContact O-N 3.5Å; E15-S19 VanDerWaalsContact O-CB 3.22Å; E15-S19 WeakPolarHBondContact O-CB 3.5Å; E15-S19 PolarHBondContact O-N 2.89Å
16A68.6Low58.7Low63 Ų63118.4 Ų118.452%0.52165%0.654SS.*Hα-helixtrans-60.1-50173.400000112.5N12 A14 S19N12-A16 WeakPolarHBondContact O-CB 3.32Å; N12-A16 PolarHBondContact O-N 2.91Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.12Å; A16-S19 PolarHBondContact O-N 2.8Å; A16-S19 PolarHBondContact O-OG 3.12Å
17L75.3Confident58.1Low147 Ų147123.2 Ų123.277%0.7767%0.665SS**Hα-helixtrans-62.7-42179.1-69.4170.3000112.4R13 A14R13-L17 WeakPolarHBondContact O-CG 3.18Å; R13-L17 PolarHBondContact O-N 2.76Å; A14-L17 PolarHBondContact O-N 2.97Å
18L67.3Low57Low153 Ų153118.7 Ų118.780%0.80167%0.671SS**Hα-helixtrans-76.6-19.6179.8-68.1171.7000113.7A14 G20A14-L18 WeakPolarHBondContact O-CB 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.47Å; A14-L18 PolarHBondContact O-N 2.81Å; L18-G20 PolarHBondContact O-N 3.05Å
19S62Low55.5Low65 Ų65119 Ų11946%0.45569%0.687SS.*THydrogen-bonded Turntrans-67.9-16.6-17671.50000114.8E15 A16 K21E15-S19 VanDerWaalsContact O-CB 3.22Å; E15-S19 WeakPolarHBondContact O-CB 3.5Å; E15-S19 PolarHBondContact O-N 2.89Å; A16-S19 PolarHBondContact O-N 2.8Å; A16-S19 PolarHBondContact O-OG 3.12Å; S19-K21 PolarHBondContact O-N 2.91Å
20G51.6Low53.9Low71 Ų71117.9 Ų117.973%0.73269%0.691SS**  trans58.712.2-179.400000115L18 R22L18-G20 PolarHBondContact O-N 3.05Å; G20-R22 PolarHBondContact O-N 3.04Å; G20-R22 VanDerWaalsContact O-N 3.17Å
21K40.6Very low52Low175 Ų175119.9 Ų119.976%0.76170%0.7SS**  trans-91.591.6-155.5-141171.3-171.9177.40111.7S19 S23S19-K21 PolarHBondContact O-N 2.91Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 3.46Å
22R44.7Very low49.8Very low247 Ų247120.5 Ų120.593%0.93271%0.709SS**  trans-63.883.3168.5-75.2-175.4170.7-173.1-2.4111.1G20 S24G20-R22 PolarHBondContact O-N 3.04Å; G20-R22 VanDerWaalsContact O-N 3.17Å; R22-S24 PolarHBondContact O-N 3Å; R22-S24 VanDerWaalsContact O-N 3.15Å
23S35.7Very low47.7Very low99 Ų99124.6 Ų124.669%0.69272%0.724SS**  trans-77.789.6170.255.30000110.4K21 T25K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 3.46Å; S23-T25 VanDerWaalsContact C-N 3.28Å; S23-T25 PolarHBondContact O-N 3.27Å
24S38.4Very low45.5Very low115 Ų115121.9 Ų121.980%0.80472%0.724SS**  trans-75.977.5172.6600000111R22R22-S24 PolarHBondContact O-N 3Å; R22-S24 VanDerWaalsContact O-N 3.15Å
25T36.1Very low43.5Very low127 Ų127124.9 Ų124.978%0.77974%0.742SS**  trans-72.5129.5167.9-52.80000108.9S23S23-T25 VanDerWaalsContact C-N 3.28Å; S23-T25 PolarHBondContact O-N 3.27Å
26R33.7Very low41.3Very low230 Ų230126 Ų12687%0.86876%0.756SS**  trans-121.6106-171.9175-164.3171.3-176.5-2.4110.6
27D33.3Very low39.8Very low162 Ų162128.7 Ų128.787%0.86677%0.766SS**  trans-152.2149.6159.1-77.5-53.3000107
28G33.9Very low37.7Very low74 Ų74131 Ų13176%0.76377%0.77SS**  cis174.3111-6.300000111
29G30.3Very low36.2Very low86 Ų86130.6 Ų130.689%0.88777%0.774SS**  trans82.7157.1-173.900000114
30G30.3Very low34.6Very low75 Ų75135.7 Ų135.777%0.77379%0.791SS**  cis-177.5179.7-3.600000112.7
31S29.6Very low33.6Very low112 Ų112138.6 Ų138.678%0.78379%0.794SS**  trans69.4108.1170.6-114.90000121.6
32T30.5Very low33Very low108 Ų108135.6 Ų135.666%0.66379%0.791SS**  35.2119.3120.658.10000121.3
33H30.9Very low32.6Very low170 Ų170130.1 Ų130.179%0.78779%0.785SS**  -167.5177.391.5-113.2-67.2000113.5
34D28.3Very low32.2Very low130 Ų130133 Ų13370%0.69579%0.787SS**  trans-68.3169.8-178.6-49.2-87000112.4
35S34.9Very low31.8Very low110 Ų110135.9 Ų135.977%0.76979%0.785SS**  cis-162.9168.346.1-580000115.7
36T31.8Very low31.7Very low126 Ų126139.4 Ų139.477%0.77379%0.785SS**  trans-46.6153.5159.553.80000113.2
37T35.9Very low31.6Very low121 Ų121131.6 Ų131.674%0.74278%0.777SS**  -158.5140.551.438.40000110.9
38K32.2Very low31.5Very low194 Ų194128.7 Ų128.784%0.84378%0.775SS**  62.1103.774.9-170.1-168.8-179.5-173.20115.4
39T34.7Very low31.6Very low145 Ų145129.9 Ų129.989%0.8977%0.772SS**  trans-162.8154.8142-79.10000109.4
40Q30.3Very low31.7Very low172 Ų172136 Ų13680%0.80477%0.774SS**  trans-116.3162.8-177-66.4177.2-21.400111.5
41V30.7Very low31.8Very low132 Ų132144 Ų14480%0.878%0.781SS**  trans164.8106.3145.5151.20000104.8
42T27.9Very low31.8Very low113 Ų113143.1 Ų143.169%0.69378%0.781SS**  65.1109.665.4-50.30000109.9
43V34.4Very low31.9Very low132 Ų132141.1 Ų141.180%0.878%0.782SS**  -155.8152.186.8152.80000110.4
44H27.3Very low32.2Very low159 Ų159139.4 Ų139.474%0.73679%0.785SS**  trans-82.3161.4170.8-86-137.6000111.5
45F31.2Very low32.7Very low175 Ų175139.5 Ų139.577%0.76879%0.79SS**  -179.1135.9110.5-108.3-123.7000112.2
46Y33.4Very low34.1Very low201 Ų201139.3 Ų139.379%0.78879%0.787SS**  trans26.6146.2146.7-60.1-117.7000121.4
47G31.3Very low34.9Very low67 Ų67138.7 Ų138.769%0.69179%0.785SS**  cis157.5154.8-2.900000113.4
48A32.6Very low34.8Very low101 Ų101138 Ų13884%0.83578%0.776SS**  trans60.2133.6177.300000117.6
49S34.1Very low34.8Very low98 Ų98133.4 Ų133.469%0.68577%0.769SS**  cis92109.925.7177.20000115.7
50F33.7Very low34.7Very low215 Ų215132.9 Ų132.994%0.94376%0.756SS**  trans-147.9160.7138.8-83.7-62.1000112
51R31.2Very low34.7Very low243 Ų243130.5 Ų130.592%0.91775%0.749SS**  trans-97.6179.5176.2-59.9179163.8-159.1-2.2109.5
52A30.7Very low35.1Very low93 Ų93130.7 Ų130.777%0.76975%0.745SS**  cis-155.3175.813.800000112.4
53G31.4Very low35.2Very low67 Ų67133.9 Ų133.969%0.69175%0.749SS**  trans-82.8-167.7163.500000113
54P38.1Very low35Very low133 Ų133132.4 Ų132.486%0.86475%0.745SS**  cis-134.4-179.649.340.1-23.9000116.9
55V39.9Very low35.3Very low132 Ų132131.6 Ų131.680%0.875%0.746SS**  trans-162.3160.9-163.8166.90000107.1
56P63.8Low35.2Very low106 Ų106130.4 Ų130.469%0.68875%0.747SS**  cis-117.3-131.6-12.234.6-10.9000110.4
57P48Very low35.1Very low113 Ų113125.4 Ų125.473%0.73474%0.741SS**  cis-96.514019.30.422.9000114
58N33.3Very low35Very low106 Ų106129 Ų12957%0.56775%0.745SS**  68.1110.164.1-164.833.9000113.2H60N58-H60 PolarHBondContact ND2-NE2 3.44Å; N58-H60 PolarHBondContact OD1-NE2 3.49Å
59S32.5Very low34.8Very low98 Ų98132.4 Ų132.469%0.68575%0.748SS**  163.9165.887.643.20000109.8
60H32.7Very low34.6Very low135 Ų135133 Ų13363%0.62575%0.752SS**  cis-162.5147.6-18.3-106-53.9000109.4N58N58-H60 PolarHBondContact ND2-NE2 3.44Å; N58-H60 PolarHBondContact OD1-NE2 3.49Å
61N30.8Very low34.5Very low122 Ų122127.7 Ų127.765%0.65274%0.742SS**  trans54.8120.4142.6-53.1-3.6000122.6
62L38.6Very low34.1Very low136 Ų136124.4 Ų124.471%0.71274%0.742SS**  47.2130.2122.5-55.7166.2000120.4
63F30.1Very low34.1Very low179 Ų179126.7 Ų126.779%0.78575%0.747SS**  -177.7161.396.8-95.3-63000113.6
64S31.3Very low33.9Very low101 Ų101128.6 Ų128.671%0.70675%0.75SS**  trans-67.4142.7176.6-34.30000112.1
65D32Very low33.3Very low142 Ų142127 Ų12776%0.75975%0.747SS**  83.7168.790.3-17129.9000114.1
66L30.7Very low32.7Very low150 Ų150125.2 Ų125.279%0.78574%0.741SS**  trans95.389.8177.9-52.5-177.7000117.8
67S30.9Very low31.1Very low96 Ų96128.1 Ų128.167%0.67174%0.743SS**  trans2.4156.4134.5-43.90000123.1
68D28.9Very low30.1Very low143 Ų143130.5 Ų130.577%0.76574%0.744SS**  trans55108.6141-61-30.3000121.4
69L29Very low29.8Very low172 Ų172131.8 Ų131.890%0.90176%0.756SS**  -135.8113122.2-67.8178.6000106.2
70S29.2Very low29.6Very low110 Ų110130.6 Ų130.677%0.76975%0.752SS**  68.9123.474.8-169.90000113.3
71S30.7Very low29.4Very low105 Ų105132.8 Ų132.873%0.73476%0.763SS**  trans-67.3155.3-177-42.50000114.2
72D24.4Very low29.7Very low173 Ų173131.9 Ų131.993%0.92577%0.766SS**  trans-132.2106.2157-108.4-36.6000108.9
73T29.7Very low29.7Very low142 Ų142131 Ų13187%0.87177%0.768SS**  trans-103.2119.9172-53.50000108.7
74S26.9Very low29.6Very low106 Ų106133.2 Ų133.274%0.74177%0.772SS**  trans-107.4131-171.567.10000114.1
75A25.2Very low29.4Very low99 Ų99135.6 Ų135.682%0.81878%0.776SS**  trans61.6164.315500000116.8
76S28.8Very low29.2Very low95 Ų95132.6 Ų132.666%0.66477%0.77SS**  cis-158.3125.720-175.20000114.1
77K28.8Very low29Very low168 Ų168132 Ų13273%0.7377%0.768SS**  trans45.5137133.8-64.5174.3163-171.20123.2
78Q27.8Very low28.9Very low163 Ų163132.9 Ų132.976%0.76277%0.769SS**  trans72.5150.6141.6-68.1171.1-80.800115.3
79T27.8Very low28.9Very low132 Ų132133 Ų13381%0.8177%0.765SS**  cis-144.9135.832.9-57.70000112.7
80A28.3Very low29Very low73 Ų73131.8 Ų131.860%0.60376%0.755SS**  trans-89.6153.6159.200000108.6
81E27.4Very low29Very low182 Ų182132 Ų13285%0.8575%0.748SS**  -166.8166.478.2-83.5-70124.300110.4
82S37.5Very low29Very low102 Ų102133.9 Ų133.971%0.71375%0.748SS**  trans-124.4138168.3173.20000110
83P38.6Very low29.2Very low119 Ų119132.9 Ų132.977%0.77374%0.738SS**  trans-118.4139.716118.80.9000113.7
84R27.1Very low29.4Very low225 Ų225132.4 Ų132.485%0.84973%0.729SS**  trans-77.1-177.9160.3-58172.4164.5171.4-7109.3
85L28.3Very low29.5Very low151 Ų151136.8 Ų136.879%0.79174%0.735SS**  cis-172.1172.825.5-142.8161.3000109.5
86A27.1Very low29.8Very low78 Ų78134.8 Ų134.865%0.64572%0.724SS**  trans81156.4155.400000116.9
87N27.5Very low30Very low139 Ų139138 Ų13874%0.74373%0.733SS**  cis-163.8148.21.3-139.717.8000113.7
88T28.4Very low30.5Very low114 Ų114134.5 Ų134.570%0.69973%0.73SS**  trans57.4164.6155.628.50000119
89Q28.4Very low31Very low145 Ų145132.5 Ų132.568%0.67873%0.729SS**  cis-158.9158.92.5-137.2171.9-86.800110.5
90E30.8Very low31.6Very low146 Ų146134.8 Ų134.868%0.68273%0.731SS**  trans66.2157.4155.5-60.6-162.4-154.200120.4
91N30.3Very low31.8Very low116 Ų116137.7 Ų137.762%0.6274%0.736SS**  cis-156.3159.7-18.8-127.7-40.6000112.4
92L30.8Very low32.9Very low143 Ų143137.1 Ų137.175%0.74974%0.738SS**  trans60.1157.2156.7-102.670.9000119.8
93E28.4Very low32.7Very low153 Ų153141.4 Ų141.472%0.71574%0.739SS**  cis-157.7177.5-2.6-155.2-165.3136.100111.3
94I32.7Very low33.2Very low131 Ų131141 Ų14167%0.67274%0.736SS**  trans82.497.9156.1-62173.6000119.3
95K29Very low33.6Very low199 Ų199137.8 Ų137.887%0.86573%0.731SS**  64.8134.9123.2-161.4179.2-177.4179.80120
96G32.5Very low34Very low57 Ų57140 Ų14059%0.58873%0.734SS**  cis173.3172.7-2.200000112.7
97D32.8Very low34.5Very low161 Ų161141.3 Ų141.386%0.86174%0.738SS**  trans65.3154.9169.7-44.5-37.4000116.4
98S38.9Very low35.3Very low95 Ų95143 Ų14366%0.66475%0.747SS**  cis-150.2124.96.1-163.90000113.7
99T37.6Very low35.7Very low121 Ų121142 Ų14274%0.74275%0.749SS**  trans58.9141.4137.460.70000125.3
100Q40.2Very low36.3Very low181 Ų181144.7 Ų144.785%0.84676%0.762SS**  trans75.4103.6159.9-41.9-150.6-5.100116.7
101D32.5Very low36.8Very low134 Ų134140.8 Ų140.872%0.71776%0.761SS**  cis85.9111.244.9-168.327.7000114.1
102L51.7Low37.7Very low169 Ų169141.5 Ų141.589%0.88578%0.775SS**  -162.8143121.8-100.4178.4000112.1
103R32.2Very low38.6Very low193 Ų193144.4 Ų144.473%0.72878%0.776SS**  trans-105.1166.4-172.9-155.4168.8167.3173.7-1.4108.6
104P49.5Very low39.6Very low111 Ų111146.2 Ų146.272%0.72178%0.782SS**  cis-140.3151.419.138.7-17.7000120
105Q36.8Very low40.3Very low157 Ų157148 Ų14873%0.73479%0.792SS**  trans12.3141.4142.2-61.2-177.3-29.900122.5
106K35.6Very low41.3Very low197 Ų197148.7 Ų148.786%0.85780%0.795SS**  -164132.5115.7-108.5162-172.9175.10116.1
107S37.7Very low42.4Very low105 Ų105155.4 Ų155.473%0.73481%0.808SS**  trans44.9131.5147.7570000124.3
108L44.8Very low43.4Very low176 Ų176152.1 Ų152.192%0.92180%0.803SS**  trans-25.8134.7161.5-63.571.3000119.3
109A36.8Very low44.1Very low92 Ų92153.8 Ų153.876%0.7681%0.812SS**  trans-172.8117.413300000107.1
110E41.5Very low44.6Very low201 Ų201157.3 Ų157.394%0.93982%0.817SS**  50.497.370.7-165.1171.8-153.700113.4
111G39.8Very low45.3Very low64 Ų64154.8 Ų154.866%0.6682%0.816SS**  trans-170.933.1-169.300000118.5R113G111-R113 PolarHBondContact O-N 2.6Å
112S50.3Low45.6Very low132 Ų132153.1 Ų153.192%0.92382%0.821SS**  trans-67.898.6-178.7-173.50000113.5
113R50.5Low44.9Very low204 Ų204153.1 Ų153.177%0.7782%0.822SS**  trans-148.6141.6170.4-51.2-177.3-169.7-149.4-1.2105.9G111G111-R113 PolarHBondContact O-N 2.6Å
114F48.6Very low45.1Very low190 Ų190149.8 Ų149.883%0.83383%0.828SS**  cis-144.7127.823.6-61.6-102.9000111.8
115L46.2Very low44.9Very low170 Ų170148.7 Ų148.789%0.8982%0.823SS**  trans-120.6104.9156.9-80.8177.7000109.6K117L115-K117 PolarHBondContact O-N 3.49Å; L115-K117 VanDerWaalsContact O-N 3.14Å
116K52.1Low44.9Very low212 Ų212150.1 Ų150.192%0.92283%0.829SS**  trans-76.696.1-170.3-169.9174.4-178177.10111
117K55.5Low45Very low199 Ų199145.7 Ų145.787%0.86582%0.823SS**PPolyproline II helixtrans-64.9143.6175-66.2-72.8-174.2178.10111.3L115L115-K117 PolarHBondContact O-N 3.49Å; L115-K117 VanDerWaalsContact O-N 3.14Å
118A52.3Low45.7Very low92 Ų92146.8 Ų146.876%0.7683%0.828SS**PPolyproline II helixtrans-87.2156.3173.800000112.2
119P53.9Low45.4Very low129 Ų129144.8 Ų144.884%0.83882%0.823SS**PPolyproline II helixtrans-77.6155.2-177.4-11.829.1000113.6
120K49.2Very low45.5Very low196 Ų196146.4 Ų146.485%0.85283%0.828SS**PPolyproline II helixtrans-90.7143.3164.3-61.6179.4179.7179.40109.8
121P53.1Low45.4Very low128 Ų128146.7 Ų146.783%0.83182%0.821SS**PPolyproline II helixtrans-70.3152165.531.3-33.9000110.8
122A38.8Very low45.3Very low99 Ų99150.3 Ų150.382%0.81883%0.825SS**PPolyproline II helixtrans-100.6155.4-179.200000112.4
123N37.3Very low44.4Very low169 Ų169156.3 Ų156.390%0.90483%0.828SS**PPolyproline II helixtrans-75.3142.5175.5-57.5-22.8000110.7
124S37.6Very low43.7Very low123 Ų123150.7 Ų150.786%0.8683%0.825SS**  trans-145.4123.7162.2-168.80000110
125S45Very low43.2Very low88 Ų88150.9 Ų150.962%0.61583%0.828SS**  trans-88150.9172.950.20000110.7
126H37.4Very low42.6Very low186 Ų186147.4 Ų147.486%0.86182%0.824SS**  177.9128.6120.2-91.2-62.7000110.7
127S35.8Very low41.7Very low105 Ų105143.7 Ų143.773%0.73482%0.819SS**  trans-94163.2162.8530000110.1
128P53.4Low40.8Very low128 Ų128140.3 Ų140.383%0.83182%0.815SS**  -137.6174.9119.938-27.9000114.6
129V38.5Very low39.8Very low134 Ų134143.6 Ų143.681%0.81281%0.814SS**  trans-87.8149.3-172.2173.70000112.6
130S38.2Very low39Very low125 Ų125143.5 Ų143.587%0.87481%0.814SS**  trans-144.4161.9150.9-167.60000111.1
131R39.8Very low38Very low208 Ų208144 Ų14479%0.78581%0.81SS**  trans-145.7132.2-151.4-172.9177.1-173.9-178.13.3114.2
132N37.3Very low37.1Very low140 Ų140143.9 Ų143.975%0.74981%0.811SS**  trans56120.5159.9-62.24.4000120.8
133R32.3Very low36.7Very low258 Ų258145.3 Ų145.397%0.97481%0.809SS**  -157.9174.2116-144.9162.4177.2162.4-1.8110.4
134A36.4Very low37.1Very low86 Ų86142.7 Ų142.771%0.71180%0.804SS**  trans-134.2168-156.100000115.8
135Q36.9Very low37.2Very low194 Ų194142.1 Ų142.191%0.90780%0.8SS**  trans65.5117.1162.5-64.2179.4-9.700119.7
136A34.2Very low37.3Very low97 Ų97143.8 Ų143.880%0.80281%0.812SS**  -174117.7126.600000114.1
137V33.8Very low37.7Very low134 Ų134143.7 Ų143.781%0.81281%0.812SS**  trans28.4113.2132.3-176.90000120.6
138V35.7Very low38.4Very low128 Ų128142.3 Ų142.378%0.77681%0.814SS**  trans48.7106.9139-172.90000120.4
139Q32.3Very low37.7Very low161 Ų161139.1 Ų139.175%0.75280%0.804SS**  -178.3141.1117.4-100.9-167.927.600111.7R141Q139-R141 PolarHBondContact O-N 3.45Å
140P35.6Very low38.4Very low127 Ų127143.2 Ų143.283%0.82581%0.812SS**  trans-81.775.5174.534.4-34.7000111.6C142P140-C142 PolarHBondContact O-N 3.36Å
141R28.7Very low39.4Very low205 Ų205143.8 Ų143.877%0.77480%0.8SS**  trans-76110.2173-178.3176.7-73.6171.2-3.4109.7Q139 V143Q139-R141 PolarHBondContact O-N 3.45Å; R141-V143 PolarHBondContact O-N 3.22Å; R141-V143 VanDerWaalsContact O-N 3.16Å
142C34.3Very low40.8Very low126 Ų126136.4 Ų136.485%0.85178%0.784SS**  trans-59.2116.7174-67.10000110.9P140P140-C142 PolarHBondContact O-N 3.36Å
143V30.3Very low43.1Very low129 Ų129135 Ų13578%0.78278%0.782SS**  trans-100.3120.5173.3-1670000108.3R141 S145R141-V143 PolarHBondContact O-N 3.22Å; R141-V143 VanDerWaalsContact O-N 3.16Å; V143-S145 PolarHBondContact O-N 3.37Å; V143-S145 VanDerWaalsContact O-N 3.17Å
144S45.5Very low45.4Very low114 Ų114126 Ų12680%0.79776%0.763SS**  trans-72.2106.4177.4-58.60000110.7S146S144-S146 PolarHBondContact O-N 3.24Å
145S39.1Very low47.7Very low111 Ų111126 Ų12678%0.77675%0.751SS**  trans-74.586.4174.543.40000111.3V143 Q147V143-S145 PolarHBondContact O-N 3.37Å; V143-S145 VanDerWaalsContact O-N 3.17Å; S145-Q147 PolarHBondContact O-N 3.3Å
146S48.7Very low50.3Low123 Ų123126.2 Ų126.286%0.8674%0.743SS**  trans-73.471.6172.361.40000111.7S144S144-S146 PolarHBondContact O-N 3.24Å
147Q44.2Very low53.1Low184 Ų184129.2 Ų129.286%0.8673%0.734SS**  trans-113.999.4176.3-157.7164.616.800110.1S145 G149S145-Q147 PolarHBondContact O-N 3.3Å; Q147-G149 PolarHBondContact O-N 2.97Å; Q147-G149 VanDerWaalsContact O-N 3.12Å
148G51.5Low55.9Low76 Ų76128.4 Ų128.478%0.78473%0.725SS**  trans-77.894.7-170.700000113.8
149G39.3Very low58.6Low61 Ų61124.9 Ų124.963%0.62971%0.709SS**  trans-78.4147.3148.500000110.3Q147 Q151Q147-G149 PolarHBondContact O-N 2.97Å; Q147-G149 VanDerWaalsContact O-N 3.12Å; G149-Q151 PolarHBondContact O-N 3.04Å
150F52.3Low61.6Low220 Ų220122.3 Ų122.397%0.96570%0.697SS**  trans-74.267.5175.8-69.3-88.5000111.5A152F150-A152 PolarHBondContact O-N 3.42Å
151Q59.4Low64.5Low137 Ų137120.5 Ų120.564%0.6468%0.679SS**  trans-63.7134.4169.5-70-170.52.100109.9G149 L155G149-Q151 PolarHBondContact O-N 3.04Å; Q151-L155 HydrophobicContact CB-CB 4.22Å; Q151-L155 HydrophobicContact CB-CD1 4.09Å; Q151-L155 HydrophobicContact CG-CD1 4.28Å
152A70.2Confident67.6Low53 Ų53115.4 Ų115.444%0.43866%0.664SS.*  trans-54.6148.1179.600000111.5F150 A154 L155 R156F150-A152 PolarHBondContact O-N 3.42Å; A152-A154 PolarHBondContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 2.84Å; A152-R156 PolarHBondContact O-N 2.65Å
153P83.8Confident70.5Confident110 Ų110112.6 Ų112.671%0.71465%0.646SS**Hα-helixtrans-57.4-26.7-176.521.4-32.9000113.5R156 R157P153-R156 PolarHBondContact O-N 2.89Å; P153-R157 WeakPolarHBondContact O-CG 3.46Å; P153-R157 PolarHBondContact O-N 3.28Å
154A80.5Confident73.7Confident69 Ų69113.3 Ų113.357%0.5763%0.634SS**Hα-helixtrans-60.8-45.5171.200000113.1A152 R156 R157 L158A152-A154 PolarHBondContact O-N 3.08Å; A154-R156 VanDerWaalsContact C-N 3.33Å; A154-R156 PolarHBondContact O-N 3.12Å; A154-R157 WeakPolarHBondContact O-CB 3.36Å; A154-R157 PolarHBondContact O-N 2.97Å; A154-L158 PolarHBondContact O-N 3.1Å
155L86.3Confident76.1Confident88 Ų88112.1 Ų112.146%0.46162%0.622SS.*Hα-helixtrans-65-37.6178.6-64.5176.8000111.6Q151 A152 L158 A159Q151-L155 HydrophobicContact CB-CB 4.22Å; Q151-L155 HydrophobicContact CB-CD1 4.09Å; Q151-L155 HydrophobicContact CG-CD1 4.28Å; A152-L155 PolarHBondContact O-N 2.84Å; L155-L158 WeakPolarHBondContact O-CB 3.05Å; L155-L158 PolarHBondContact O-N 3.47Å; L155-A159 PolarHBondContact O-N 3.45Å
156R91.4Very high78.7Confident197 Ų197114.1 Ų114.174%0.74361%0.613SS**Hα-helixtrans-64-41.1174.1-175.9174.8176.7167.21.1112A152 P153 A154 E160A152-R156 PolarHBondContact O-N 2.65Å; P153-R156 PolarHBondContact O-N 2.89Å; A154-R156 VanDerWaalsContact C-N 3.33Å; A154-R156 PolarHBondContact O-N 3.12Å; R156-E160 WeakPolarHBondContact O-CB 3.01Å; R156-E160 PolarHBondContact O-N 3.27Å
157R92.1Very high81Confident161 Ų161111 Ų11161%0.60859%0.591SS**Hα-helixtrans-63-40.6172.1-73.1-68.3-158.2169.49.5111.7P153 A154 E160 I161P153-R157 WeakPolarHBondContact O-CG 3.46Å; P153-R157 PolarHBondContact O-N 3.28Å; A154-R157 WeakPolarHBondContact O-CB 3.36Å; A154-R157 PolarHBondContact O-N 2.97Å; R157-E160 IonicContact NH1-OE2 2.69Å; R157-E160 WeakPolarHBondContact O-CB 3.5Å; R157-E160 PolarHBondContact O-N 3.17Å; R157-I161 VanDerWaalsContact O-CG1 3.29Å; R157-I161 WeakPolarHBondContact O-CG1 3.42Å; R157-I161 PolarHBondContact O-N 3.2Å
158L93.4Very high83.4Confident117 Ų117108.8 Ų108.861%0.61358%0.575SS**Hα-helixtrans-61.7-48.5178.6-147.781.6000111.2A154 L155 E160 I161 E162A154-L158 PolarHBondContact O-N 3.1Å; L155-L158 WeakPolarHBondContact O-CB 3.05Å; L155-L158 PolarHBondContact O-N 3.47Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 PolarHBondContact O-N 3.09Å; L158-I161 PolarHBondContact O-N 3.09Å; L158-E162 WeakPolarHBondContact O-CB 3.36Å; L158-E162 PolarHBondContact O-N 3.46Å
159A92.4Very high85.4Confident53 Ų53112.5 Ų112.544%0.43857%0.569SS.*Hα-helixtrans-63.4-35.7176.400000113.1L155 S163L155-A159 PolarHBondContact O-N 3.45Å; A159-S163 WeakPolarHBondContact O-CB 3.2Å; A159-S163 PolarHBondContact O-N 3.44Å
160E94.9Very high88.1Confident108 Ų108115.5 Ų115.551%0.50557%0.567SS.*Hα-helixtrans-62.8-48.4173.2-172.4-176.2174.500111R156 R157 L158 S163 R164R156-E160 WeakPolarHBondContact O-CB 3.01Å; R156-E160 PolarHBondContact O-N 3.27Å; R157-E160 IonicContact NH1-OE2 2.69Å; R157-E160 WeakPolarHBondContact O-CB 3.5Å; R157-E160 PolarHBondContact O-N 3.17Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 PolarHBondContact O-N 3.09Å; E160-S163 PolarHBondContact O-N 2.55Å; E160-S163 PolarHBondContact O-OG 3.2Å; E160-R164 PolarHBondContact O-N 3.16Å; E160-R164 VanDerWaalsContact O-N 3.08Å
161I95.6Very high90.1Very high88 Ų88109.8 Ų109.845%0.45154%0.543SS..Hα-helixtrans-60.6-47176.1-68.2163000110.9R157 L158 S163 R164 V165R157-I161 VanDerWaalsContact O-CG1 3.29Å; R157-I161 WeakPolarHBondContact O-CG1 3.42Å; R157-I161 PolarHBondContact O-N 3.2Å; L158-I161 PolarHBondContact O-N 3.09Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 3.04Å; I161-R164 WeakPolarHBondContact O-CB 3.44Å; I161-R164 PolarHBondContact O-N 3.36Å; I161-R164 VanDerWaalsContact O-N 3.11Å; I161-V165 WeakPolarHBondContact O-CG2 3.37Å; I161-V165 PolarHBondContact O-N 3.49Å
162E94.8Very high91.7Very high99 Ų99109.2 Ų109.246%0.46354%0.544SS..Hα-helixtrans-60.9-41.8-179.8-157-125.3138.700111.7L158 R164 V165 R166L158-E162 WeakPolarHBondContact O-CB 3.36Å; L158-E162 PolarHBondContact O-N 3.46Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 2.75Å; E162-V165 PolarHBondContact O-N 3.18Å; E162-R166 PolarHBondContact O-N 3.49Å; E162-R166 IonicContact OE1-CZ 2.87Å; E162-R166 IonicContact OE1-NE 2.89Å; E162-R166 PolarHBondContact OE1-NE 2.99Å; E162-R166 IonicContact OE1-NH2 3.12Å; E162-R166 PolarHBondContact OE1-NH2 3.04Å; E162-R166 IonicContact OE2-CZ 2.87Å; E162-R166 IonicContact OE2-NH2 3.88Å; E162-R166 PolarHBondContact OE2-NH2 3.35Å
163S95.6Very high92.7Very high66 Ų66110.3 Ų110.346%0.46254%0.54SS..Hα-helixtrans-63-39173.978.30000112.5A159 E160 I161 R166 S167A159-S163 WeakPolarHBondContact O-CB 3.2Å; A159-S163 PolarHBondContact O-N 3.44Å; E160-S163 PolarHBondContact O-N 2.55Å; E160-S163 PolarHBondContact O-OG 3.2Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 3.04Å; S163-R166 PolarHBondContact O-N 3.24Å; S163-S167 PolarHBondContact O-N 3.29Å
164R96.7Very high93Very high144 Ų144110.8 Ų110.854%0.54353%0.532SS..Hα-helixtrans-68.6-37178.2-166.2178.273.5176.33.1111.9E160 I161 E162 R168E160-R164 PolarHBondContact O-N 3.16Å; E160-R164 VanDerWaalsContact O-N 3.08Å; I161-R164 WeakPolarHBondContact O-CB 3.44Å; I161-R164 PolarHBondContact O-N 3.36Å; I161-R164 VanDerWaalsContact O-N 3.11Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 2.75Å; R164-R168 WeakPolarHBondContact O-CG 3.17Å; R164-R168 PolarHBondContact O-N 3.4Å; R164-R168 VanDerWaalsContact O-N 3.1Å
165V96Very high93.4Very high89 Ų89110.2 Ų110.254%0.53953%0.528SS..Hα-helixtrans-66.8-44.1173.2172.70000110.6I161 E162 S167 R168 K169I161-V165 WeakPolarHBondContact O-CG2 3.37Å; I161-V165 PolarHBondContact O-N 3.49Å; E162-V165 PolarHBondContact O-N 3.18Å; V165-S167 PolarHBondContact O-N 3.27Å; V165-R168 PolarHBondContact O-N 2.98Å; V165-K169 WeakPolarHBondContact O-CB 3.41Å; V165-K169 PolarHBondContact O-N 2.98Å
166R93.6Very high93.5Very high153 Ų153112.2 Ų112.258%0.57753%0.533SS*.Hα-helixtrans-61.6-42.2175.2-75.9-163.3-101.8145.8-9.1112.7E162 S163 K169 Q170E162-R166 PolarHBondContact O-N 3.49Å; E162-R166 IonicContact OE1-CZ 2.87Å; E162-R166 IonicContact OE1-NE 2.89Å; E162-R166 PolarHBondContact OE1-NE 2.99Å; E162-R166 IonicContact OE1-NH2 3.12Å; E162-R166 PolarHBondContact OE1-NH2 3.04Å; E162-R166 IonicContact OE2-CZ 2.87Å; E162-R166 IonicContact OE2-NH2 3.88Å; E162-R166 PolarHBondContact OE2-NH2 3.35Å; S163-R166 PolarHBondContact O-N 3.24Å; R166-K169 PolarHBondContact O-N 2.83Å; R166-Q170 PolarHBondContact O-N 3.41Å
167S96.1Very high93.1Very high57 Ų57108.9 Ų108.940%0.39952%0.524SS..Hα-helixtrans-60.3-54.5175.7-1610000111.7S163 V165 K169 Q170 E171S163-S167 PolarHBondContact O-N 3.29Å; V165-S167 PolarHBondContact O-N 3.27Å; S167-K169 VanDerWaalsContact C-N 3.27Å; S167-K169 PolarHBondContact O-N 3.36Å; S167-Q170 WeakPolarHBondContact O-CA 3.37Å; S167-Q170 WeakPolarHBondContact O-CB 3.2Å; S167-Q170 PolarHBondContact O-N 3.06Å; S167-E171 WeakPolarHBondContact CB-OE1 3.37Å; S167-E171 WeakPolarHBondContact O-CG 3.28Å; S167-E171 PolarHBondContact O-N 3.34Å; S167-E171 PolarHBondContact OG-OE1 3.5Å
168R94.9Very high92.4Very high139 Ų139104.3 Ų104.353%0.52552%0.52SS..Hα-helixtrans-56.9-38.4177.9-73.7-180178.1-173.3-1.6112.9R164 V165 E171 L172R164-R168 WeakPolarHBondContact O-CG 3.17Å; R164-R168 PolarHBondContact O-N 3.4Å; R164-R168 VanDerWaalsContact O-N 3.1Å; V165-R168 PolarHBondContact O-N 2.98Å; R168-E171 PolarHBondContact O-N 3.35Å; R168-L172 VanDerWaalsContact O-CB 3.32Å; R168-L172 WeakPolarHBondContact O-CB 3.19Å; R168-L172 PolarHBondContact O-N 3.34Å
169K94.1Very high91.4Very high153 Ų153101.8 Ų101.867%0.66551%0.512SS*.Hα-helixtrans-66.6-37.9176.5-172.6171.7-177.3174.50112V165 R166 S167 E173V165-K169 WeakPolarHBondContact O-CB 3.41Å; V165-K169 PolarHBondContact O-N 2.98Å; R166-K169 PolarHBondContact O-N 2.83Å; S167-K169 VanDerWaalsContact C-N 3.27Å; S167-K169 PolarHBondContact O-N 3.36Å; K169-E173 WeakPolarHBondContact O-CB 3.39Å; K169-E173 PolarHBondContact O-N 3.32Å
170Q95.3Very high90.3Very high125 Ų125102.1 Ų102.158%0.58452%0.515SS*.Hα-helixtrans-69.6-42.1174.6-178.7173.5-23.700112R166 S167 E173 Q174R166-Q170 PolarHBondContact O-N 3.41Å; S167-Q170 WeakPolarHBondContact O-CA 3.37Å; S167-Q170 WeakPolarHBondContact O-CB 3.2Å; S167-Q170 PolarHBondContact O-N 3.06Å; Q170-E173 PolarHBondContact O-N 3.38Å; Q170-Q174 WeakPolarHBondContact O-CG 3.43Å; Q170-Q174 PolarHBondContact O-N 2.87Å
171E94.4Very high88.9Confident100 Ų100100.9 Ų100.947%0.46752%0.523SS..Hα-helixtrans-60.3-45.8174.7-69.2152.7-138.300111.3S167 R168 Q174 A175S167-E171 WeakPolarHBondContact CB-OE1 3.37Å; S167-E171 WeakPolarHBondContact O-CG 3.28Å; S167-E171 PolarHBondContact O-N 3.34Å; S167-E171 PolarHBondContact OG-OE1 3.5Å; R168-E171 PolarHBondContact O-N 3.35Å; E171-Q174 PolarHBondContact O-N 3.48Å; E171-A175 WeakPolarHBondContact O-CB 3.32Å; E171-A175 PolarHBondContact O-N 3.25Å
172L94.3Very high87Confident124 Ų124102.4 Ų102.465%0.64954%0.536SS*.Hα-helixtrans-63.9-41.4176.6-174.866.3000112.2R168 Q174 A175 K176R168-L172 VanDerWaalsContact O-CB 3.32Å; R168-L172 WeakPolarHBondContact O-CB 3.19Å; R168-L172 PolarHBondContact O-N 3.34Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-A175 PolarHBondContact O-N 2.91Å; L172-K176 VanDerWaalsContact O-CB 3.25Å; L172-K176 WeakPolarHBondContact O-CB 3.39Å; L172-K176 PolarHBondContact O-N 2.96Å
173E90.8Very high85Confident77 Ų77103.8 Ų103.836%0.3655%0.546SS..Hα-helixtrans-65-35174.2-88.7-73.1121.600112.8K169 Q170 K177K169-E173 WeakPolarHBondContact O-CB 3.39Å; K169-E173 PolarHBondContact O-N 3.32Å; Q170-E173 PolarHBondContact O-N 3.38Å; E173-K177 WeakPolarHBondContact O-CB 3.37Å; E173-K177 WeakPolarHBondContact O-CD 3.5Å; E173-K177 VanDerWaalsContact O-CG 3.28Å; E173-K177 WeakPolarHBondContact O-CG 3.28Å; E173-K177 PolarHBondContact O-N 3.08Å; E173-K177 VanDerWaalsContact O-N 3.09Å; E173-K177 WeakPolarHBondContact OE2-CE 3.32Å; E173-K177 IonicContact OE2-NZ 2.78Å; E173-K177 PolarHBondContact OE2-NZ 2.91Å
174Q90.7Very high82.5Confident119 Ų119105.4 Ų105.456%0.55656%0.558SS**Hα-helixtrans-69.5-45.1173.7-74.9178.2-6.600111.4Q170 E171 L172 K176 K177 A178Q170-Q174 WeakPolarHBondContact O-CG 3.43Å; Q170-Q174 PolarHBondContact O-N 2.87Å; E171-Q174 PolarHBondContact O-N 3.48Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.48Å; Q174-K177 PolarHBondContact O-N 2.82Å; Q174-A178 PolarHBondContact O-N 3Å
175A87.6Confident80.2Confident57 Ų57103.9 Ų103.947%0.47157%0.566SS.*Hα-helixtrans-59.8-44.2174.700000111.9E171 L172 K177 A178 S179E171-A175 WeakPolarHBondContact O-CB 3.32Å; E171-A175 PolarHBondContact O-N 3.25Å; L172-A175 PolarHBondContact O-N 2.91Å; A175-K177 VanDerWaalsContact C-N 3.33Å; A175-K177 PolarHBondContact O-N 3Å; A175-A178 WeakPolarHBondContact O-CB 3.4Å; A175-A178 PolarHBondContact O-N 3.45Å; A175-S179 PolarHBondContact O-N 3.3Å; A175-S179 PolarHBondContact O-OG 2.92Å
176K88.7Confident77.7Confident131 Ų131104.8 Ų104.857%0.5758%0.583SS**Hα-helixtrans-63-36.4177.4-172175.5-179-179.40112.8L172 Q174 S179 A180L172-K176 VanDerWaalsContact O-CB 3.25Å; L172-K176 WeakPolarHBondContact O-CB 3.39Å; L172-K176 PolarHBondContact O-N 2.96Å; Q174-K176 PolarHBondContact O-N 3.48Å; K176-S179 WeakPolarHBondContact CA-OG 3.41Å; K176-S179 PolarHBondContact O-OG 3.16Å; K176-A180 WeakPolarHBondContact O-CB 3.47Å; K176-A180 PolarHBondContact O-N 3.12Å
177K84Confident75.3Confident127 Ų127103.2 Ų103.255%0.55260%0.595SS**Hα-helixtrans-72.6-37.9174.5-74.8163.6-169.9154.60112.1E173 Q174 A175 A180 A181E173-K177 WeakPolarHBondContact O-CB 3.37Å; E173-K177 WeakPolarHBondContact O-CD 3.5Å; E173-K177 VanDerWaalsContact O-CG 3.28Å; E173-K177 WeakPolarHBondContact O-CG 3.28Å; E173-K177 PolarHBondContact O-N 3.08Å; E173-K177 VanDerWaalsContact O-N 3.09Å; E173-K177 WeakPolarHBondContact OE2-CE 3.32Å; E173-K177 IonicContact OE2-NZ 2.78Å; E173-K177 PolarHBondContact OE2-NZ 2.91Å; Q174-K177 PolarHBondContact O-N 2.82Å; A175-K177 VanDerWaalsContact C-N 3.33Å; A175-K177 PolarHBondContact O-N 3Å; K177-A180 PolarHBondContact O-N 2.98Å; K177-A181 WeakPolarHBondContact O-CB 3.29Å; K177-A181 PolarHBondContact O-N 3.34Å
178A76.4Confident72.4Confident64 Ų64107.9 Ų107.953%0.52962%0.616SS.*Hα-helixtrans-62.5-43.7172.400000111.9Q174 A175 A181 V182Q174-A178 PolarHBondContact O-N 3Å; A175-A178 WeakPolarHBondContact O-CB 3.4Å; A175-A178 PolarHBondContact O-N 3.45Å; A178-A181 PolarHBondContact O-N 3.4Å; A178-V182 WeakPolarHBondContact O-CG2 3.42Å
179S73.4Confident70.1Confident64 Ų64107.8 Ų107.845%0.44863%0.63SS.*Hα-helixtrans-67.8-36.3175.556.50000113.3A175 K176 A181 V182A175-S179 PolarHBondContact O-N 3.3Å; A175-S179 PolarHBondContact O-OG 2.92Å; K176-S179 WeakPolarHBondContact CA-OG 3.41Å; K176-S179 PolarHBondContact O-OG 3.16Å; S179-A181 VanDerWaalsContact C-N 3.35Å; S179-V182 PolarHBondContact O-N 3.18Å
180A69.5Low67.3Low60 Ų60108.5 Ų108.550%0.49664%0.636SS.*Hα-helixtrans-66.4-36177.100000112.4K176 K177 V182 L183K176-A180 WeakPolarHBondContact O-CB 3.47Å; K176-A180 PolarHBondContact O-N 3.12Å; K177-A180 PolarHBondContact O-N 2.98Å; A180-V182 PolarHBondContact O-N 2.94Å; A180-L183 PolarHBondContact O-N 2.98Å
181A64.1Low64.5Low82 Ų82110.4 Ų110.468%0.67865%0.647SS**Hα-helixtrans-66.9-17.417700000114.1K177 A178 S179K177-A181 WeakPolarHBondContact O-CB 3.29Å; K177-A181 PolarHBondContact O-N 3.34Å; A178-A181 PolarHBondContact O-N 3.4Å; S179-A181 VanDerWaalsContact C-N 3.35Å
182V56.9Low61.6Low120 Ų120109.7 Ų109.773%0.72766%0.658SS**Hα-helixtrans-92.9-16.4-179.7174.70000112.5A178 S179 A180A178-V182 WeakPolarHBondContact O-CG2 3.42Å; S179-V182 PolarHBondContact O-N 3.18Å; A180-V182 PolarHBondContact O-N 2.94Å
183L51.9Low59.7Low128 Ų128109.2 Ų109.267%0.6766%0.663SS**  trans-106.334.8-173-70172.3000113.8A180 P185A180-L183 PolarHBondContact O-N 2.98Å; L183-P185 VanDerWaalsContact O-CD 3.26Å; L183-P185 WeakPolarHBondContact O-CD 3.29Å
184S42.2Very low56.7Low101 Ų101114.4 Ų114.471%0.70669%0.687SS**  trans-113.569.5175-62.80000113
185P48.9Very low53.7Low112 Ų112113.2 Ų113.273%0.72770%0.697SS**  trans-74135.7162.232.7-31.6000109.7L183L183-P185 VanDerWaalsContact O-CD 3.26Å; L183-P185 WeakPolarHBondContact O-CD 3.29Å
186A43.7Very low51Low108 Ų108114.9 Ų114.989%0.89371%0.711SS**  trans-76.8142.6163.800000109.6
187S42.9Very low48.4Very low119 Ų119114.5 Ų114.583%0.83272%0.72SS**  trans-138.9133.817459.70000109.6
188D36.6Very low46Very low156 Ų156116.1 Ų116.183%0.83473%0.729SS**  trans-147.8147.5177.2-154.7-4000109.9
189V46.5Very low43.9Very low136 Ų136119.1 Ų119.182%0.82474%0.735SS**  trans71.2158.3172.7-166.10000118.1
190E34.1Very low41.9Very low169 Ų169124.3 Ų124.379%0.7975%0.75SS**  trans-121.8174-155.1-60.9179.187.100116.2
191M37.3Very low40Very low165 Ų165128.5 Ų128.581%0.81376%0.759SS**  trans25.6119.5147.2-59.4-68.3-177.900119.8
192A32.3Very low38.2Very low85 Ų85129.4 Ų129.470%0.70277%0.766SS**  75155.569.400000115
193P55.1Low37Very low114 Ų114128.7 Ų128.774%0.7477%0.767SS**  cis-137.7-165.92.444.8-26000116.6
194E27.4Very low35.8Very low186 Ų186127.1 Ų127.187%0.86977%0.772SS**  trans85.6136.1148.9-81.2-166.2140.700126.4
195A29.1Very low35.3Very low93 Ų93126.9 Ų126.977%0.76978%0.776SS**  trans79.9146.2143.200000124.1
196A30.1Very low34.3Very low93 Ų93129.5 Ų129.577%0.76978%0.783SS**  trans56.2122.5168.400000118.9
197V34.3Very low33.6Very low123 Ų123129.6 Ų129.675%0.74578%0.777SS**  cis90.3120.641.5174.80000114.2
198Q33.8Very low32.9Very low161 Ų161126.8 Ų126.875%0.75276%0.761SS**  trans84.7123.1159.7-81.1173.47500122.7
199I32.7Very low32.5Very low127 Ų127126.8 Ų126.865%0.65176%0.756SS**  88.7113.8126.9-73.7173.7000121.7
200K30.1Very low31.6Very low173 Ų173128.1 Ų128.175%0.75275%0.751SS**  trans60.5169140.6-72-175.3171.2-1160120.3
201E29.2Very low31.4Very low148 Ų148126 Ų12669%0.69275%0.745SS**  cis179.1141.4-30.8-179.2172.8-175.200107.1
202A27.9Very low31.1Very low101 Ų101124 Ų12484%0.83574%0.743SS**  trans62.3162.9-173.300000114.7
203S30.1Very low31.2Very low105 Ų105126 Ų12673%0.73474%0.741SS**  cis-142.3131-1.8510000108.1
204A27.9Very low30.3Very low94 Ų94128.6 Ų128.678%0.77774%0.744SS**  64.9129.778.600000115.7
205A30.9Very low30.6Very low97 Ų97124 Ų12480%0.80273%0.732SS**  trans76.6144.2178.300000115.6
206L28.9Very low30.7Very low167 Ų167128 Ų12887%0.87474%0.735SS**  cis-142.6161.39.7-76.5170.7000113.3
207S28.3Very low31.1Very low109 Ų109135.1 Ų135.176%0.76274%0.742SS**  trans24.9121.9152.3-1460000120.4
208A29Very low31.2Very low60 Ų60135.1 Ų135.150%0.49673%0.734SS.*  cis71.7121.644.400000116.9P233A208-P233 HydrophobicContact CB-CG 4.4Å
209Q28.3Very low31.5Very low156 Ų156135.1 Ų135.173%0.72974%0.739SS**  trans-170.6132.2150.1-107-173.1-5.500113.3
210F25.7Very low31.8Very low165 Ų165138.4 Ų138.472%0.72474%0.743SS**  trans34.3122.7162-62.3-79.6000122.3
211D30.2Very low32Very low123 Ų123140.3 Ų140.366%0.65875%0.752SS**  cis90.1152.824.3-15615.9000117.1
212T31.1Very low32.7Very low125 Ų125141.5 Ų141.577%0.76776%0.762SS**  trans102.695.7-169-45.20000112.9
213D35.9Very low33Very low125 Ų125146.6 Ų146.667%0.66877%0.765SS**  71.1129.870.5-155.447.3000112.3
214Q35.6Very low33.3Very low169 Ų169151.7 Ų151.779%0.7977%0.774SS**  -16815863.6-163.9173.782.900116.3
215S34Very low33.6Very low89 Ų89155.2 Ų155.262%0.62277%0.772SS**  trans61.395.8157-165.60000119.3
216Q31.6Very low33.5Very low179 Ų179158.1 Ų158.184%0.83677%0.774SS**  64.1108.374-62.3-172.728.700118.1
217R37.7Very low33.4Very low241 Ų241160.9 Ų160.991%0.90977%0.773SS**  -169.8107.9114.3-113.6-178176.2175.41113.5
218E36.4Very low33.4Very low124 Ų124160.3 Ų160.358%0.57977%0.769SS**  trans-88.5156.6156.4-64.2178.3112.700110.4R220E218-R220 HydrophobicContact CB-CG 4.44Å; E218-R220 WeakPolarHBondContact OE1-CD 3.23Å; E218-R220 IonicContact OE1-CZ 3.71Å; E218-R220 IonicContact OE1-NE 3.24Å; E218-R220 PolarHBondContact OE1-NE 2.9Å; E218-R220 IonicContact OE1-NH2 3.19Å; E218-R220 PolarHBondContact OE1-NH2 3.4Å; E218-R220 IonicContact OE2-CZ 3.87Å; E218-R220 IonicContact OE2-NE 2.69Å; E218-R220 PolarHBondContact OE2-NE 2.92Å; E218-R220 IonicContact OE2-NH2 3.16Å; E218-R220 PolarHBondContact OE2-NH2 3.07Å
219N39.6Very low33.4Very low161 Ų161162.6 Ų162.686%0.86178%0.781SS**  trans-117.194.9154.8-81.2-34.5000108.9
220R39.9Very low33.4Very low196 Ų196160.8 Ų160.874%0.7479%0.786SS**  trans-101.7110.8173.9-78-166.6-82.3-173.2-14.9111.5E218 L222E218-R220 HydrophobicContact CB-CG 4.44Å; E218-R220 WeakPolarHBondContact OE1-CD 3.23Å; E218-R220 IonicContact OE1-CZ 3.71Å; E218-R220 IonicContact OE1-NE 3.24Å; E218-R220 PolarHBondContact OE1-NE 2.9Å; E218-R220 IonicContact OE1-NH2 3.19Å; E218-R220 PolarHBondContact OE1-NH2 3.4Å; E218-R220 IonicContact OE2-CZ 3.87Å; E218-R220 IonicContact OE2-NE 2.69Å; E218-R220 PolarHBondContact OE2-NE 2.92Å; E218-R220 IonicContact OE2-NH2 3.16Å; E218-R220 PolarHBondContact OE2-NH2 3.07Å; R220-L222 PolarHBondContact O-N 2.89Å
221F34.8Very low33.5Very low212 Ų212157.2 Ų157.293%0.9379%0.787SS**  trans-91.387.4159.1-87.4-77.6000110.2
222L41.9Very low34.2Very low174 Ų174156.1 Ų156.191%0.91179%0.787SS**  trans-171.4128.6138.9-103.5167.8000108.7R220R220-L222 PolarHBondContact O-N 2.89Å
223K35.6Very low34.9Very low208 Ų208152.2 Ų152.290%0.90476%0.763SS**  trans-116.3101.3-159.6-177.4-179.2178.7-179.40111.4
224K35.4Very low34.6Very low212 Ų212153.8 Ų153.892%0.92277%0.767SS**  trans-132.7132160.5-129.5172.9-175.5177.40109.4
225K34.4Very low34.5Very low167 Ų167148.8 Ų148.873%0.72675%0.754SS**  trans-120.6132.6-170168.5-176174.9-175.60109
226N29.7Very low34.4Very low158 Ų158150.2 Ų150.285%0.84576%0.759SS**  trans-156161.9137.6-95.9-19.9000109.6
227R26.6Very low34.4Very low226 Ų226151 Ų15185%0.85376%0.755SS**  trans-83.8173.5-178.6-59173.4158.8166.9-9.2109.5
228S28.2Very low34Very low97 Ų97147.3 Ų147.368%0.67875%0.747SS**  cis-159.6165.918.148.80000112
229S28.7Very low33.6Very low107 Ų107145.9 Ų145.975%0.74876%0.756SS**  trans56.9147.6149.850.60000119.8
230S29.1Very low33Very low118 Ų118142.7 Ų142.783%0.82575%0.753SS**  cis-168.3157.9-17.242.10000107.9
231A28Very low32.4Very low91 Ų91138.5 Ų138.575%0.75276%0.76SS**  trans-112.8-163.8179.200000110.5
232P43.5Very low32Very low100 Ų100131.6 Ų131.665%0.64975%0.749SS**  cis-114-116.3-25.931-9.5000109.1
233P46.8Very low31.4Very low42 Ų42130.3 Ų130.327%0.27375%0.748SS.*  cis-128.4154.3-49.435.4-18.3000116A208A208-P233 HydrophobicContact CB-CG 4.4Å
234E29.6Very low30.9Very low159 Ų159123.2 Ų123.274%0.74373%0.734SS**  trans62.1167134.5-70.9-169.999.400123.5
235A32.3Very low30.5Very low64 Ų64122.2 Ų122.253%0.52973%0.73SS.*  cis-171.6175.4-26.800000112.7
236T33Very low30.1Very low119 Ų119124.5 Ų124.573%0.7373%0.734SS**  trans69.6161.5155.357.20000118.5
237R30.5Very low30.2Very low196 Ų196122 Ų12274%0.7473%0.729SS**  cis-166.4-180-1-123165.4-162175.17.7111.9
238H29.2Very low30.3Very low162 Ų162122.5 Ų122.575%0.7573%0.731SS**  trans75.4134.2162.6-55.8-55.2000116.5
239A28.2Very low30.2Very low94 Ų94122.2 Ų122.278%0.77773%0.734SS**  cis86.2143.237.800000112.9
240A27Very low30.4Very low95 Ų95120.7 Ų120.779%0.78574%0.736SS**  cis-152.6-175.27.600000111.7
241A28.8Very low30.4Very low108 Ų108122.9 Ų122.989%0.89374%0.738SS**  trans28.7146155.300000122.2
242G26.8Very low30.5Very low67 Ų67122 Ų12269%0.69173%0.731SS**  cis148.3173.3200000112.1
243V27.6Very low29.9Very low146 Ų146123.5 Ų123.589%0.88574%0.738SS**  trans62.5113.1162.5-172.40000119.1
244G26.7Very low29.3Very low60 Ų60129.2 Ų129.262%0.61976%0.761SS**  129101.6113.900000122.4
245F25.9Very low29.4Very low190 Ų190128.1 Ų128.183%0.83376%0.759SS**  74.6141.8126.7-76.3-71.8000124.7
246R27.2Very low29.5Very low215 Ų215130.4 Ų130.481%0.81177%0.771SS**  trans82.2114.8151-73.8169.5-168-83.21.1120.5
247S30.4Very low29.3Very low107 Ų107128.9 Ų128.975%0.74878%0.779SS**  42.6146.3108.5-44.10000119.4
248R28.3Very low29.2Very low235 Ų235123 Ų12389%0.88778%0.779SS**  cis-176.6156.345.8-159.4-157.5176.9-175.6-2.7113.2
249A26.8Very low29.5Very low91 Ų91123.3 Ų123.375%0.75279%0.786SS**  trans66.6132144.800000123.9
250G32.3Very low29.6Very low76 Ų76124.9 Ų124.978%0.78478%0.777SS**  111.7147.9125.400000118.2
251D28.9Very low29.8Very low164 Ų164129.6 Ų129.688%0.87777%0.774SS**  cis-165.9173.8-23.9-159.910.1000111.2
252A31.6Very low30.2Very low72 Ų72134.1 Ų134.160%0.59577%0.774SS**  trans81.2123.414600000124.2
253V29.8Very low31.1Very low132 Ų132136.6 Ų136.680%0.878%0.778SS**  trans69.6122.5140.5177.20000119
254E34.3Very low31.3Very low162 Ų162141.6 Ų141.676%0.75778%0.781SS**  cis81.5153.948-76.5-98.466.800114.7
255I31.3Very low31.8Very low136 Ų136150.2 Ų150.270%0.69780%0.795SS**  cis-152.6155.424-9.9172.7000115.2
256S35.2Very low32.8Very low111 Ų111146.9 Ų146.978%0.77679%0.792SS**  trans78.9143.2139.874.50000125.8
257G28.3Very low33.4Very low87 Ų87145 Ų14590%0.89780%0.795SS**  trans98141.6155.400000118.9
258G29Very low33.7Very low72 Ų72145.5 Ų145.574%0.74280%0.798SS**  cis162.4144.5-11.900000114.5
259L34.6Very low34.1Very low170 Ų170137.9 Ų137.989%0.8979%0.793SS**  trans68.3170.6168.2-54.7173.2000119.3
260E30.4Very low34.6Very low127 Ų127140.3 Ų140.359%0.59380%0.798SS**  -155.5153-66.8-111.9-144.8143.100114.3
261R31.4Very low35Very low194 Ų194142.1 Ų142.173%0.73280%0.798SS**  trans55.6116.9149.4-65.4179.8-169.1165.824.4125.8
262K37.4Very low36Very low202 Ų202142.9 Ų142.988%0.87880%0.801SS**  83.3160.3126.6-76.2-169.6174.4-178.30121.9
263P46.6Very low36.8Very low120 Ų120142.7 Ų142.778%0.77981%0.806SS**  trans-119.2178.8-142.944.6-36.3000117.8
264R30Very low38.3Very low251 Ų251141.6 Ų141.695%0.94781%0.805SS**  trans-106.5161.9174-92.3-173168.2-161.3-3.6114.4
265R37.8Very low40.1Very low241 Ų241139.3 Ų139.391%0.90980%0.798SS**  trans-89168.6175.2-97.2-175.4-177.5178.71.6112.6
266P48.2Very low42.4Very low119 Ų119138.8 Ų138.877%0.77379%0.792SS**  trans-87.3159.6-164.135.1-37.5000115.3
267M38.4Very low44.4Very low177 Ų177138.6 Ų138.687%0.87278%0.779SS**  trans-131.7121.2157.3-62.7-176.176.200105.8
268S37.2Very low47Very low116 Ų116138.8 Ų138.881%0.81176%0.76SS**  79.7123.898.1-156.70000112.3
269G36.6Very low49.7Very low76 Ų76139.5 Ų139.578%0.78475%0.745SS**PPolyproline II helixtrans-74.1152.5-166.900000114.4
270V36.4Very low51.7Low142 Ų142136.3 Ų136.386%0.86172%0.721SS**PPolyproline II helixtrans-95.6123.9166.2-179.90000107.5
271S41.3Very low53.9Low113 Ų113136.1 Ų136.179%0.7972%0.718SS**PPolyproline II helixtrans-78.2142.2178.7-158.60000111.1G273S271-G273 PolarHBondContact O-N 2.72Å
272L49.3Very low56.1Low180 Ų180133.6 Ų133.694%0.94272%0.718SS**  trans-93.992.3173-69.5173.6000109
273G50Low58.1Low68 Ų68131.3 Ų131.370%0.70172%0.715SS**  trans-172.495176.800000111.6S271S271-G273 PolarHBondContact O-N 2.72Å
274S59.9Low58.5Low110 Ų110127.6 Ų127.677%0.76970%0.698SS**  trans-165.168.8172.8-177.40000109.7
275D73.1Confident59.4Low114 Ų114121.6 Ų121.661%0.6169%0.685SS**SBendtrans-141.6-63.8175.3-176.5-17.9000107.3E277 D278 M279D275-E277 PolarHBondContact O-N 2.94Å; D275-D278 PolarHBondContact O-N 2.95Å; D275-M279 PolarHBondContact O-N 3.13Å; D275-M279 VanDerWaalsContact O-N 3.08Å
276E79.3Confident59.9Low125 Ų125115.4 Ų115.458%0.58468%0.679SS**Hα-helixtrans-42.8-39.1169.6-160.677.3-16200114.6R280E276-R280 VanDerWaalsContact CG-NH1 3.29Å; E276-R280 WeakPolarHBondContact O-CG 3.29Å; E276-R280 PolarHBondContact O-N 3.37Å; E276-R280 VanDerWaalsContact O-N 3.09Å
277E77.5Confident60Low107 Ų107116.2 Ų116.250%0.568%0.681SS.*Hα-helixtrans-83.2-10.6-177.7-170142-100.700114.1D275 R280 K281D275-E277 PolarHBondContact O-N 2.94Å; E277-R280 IonicContact OE1-CZ 3.76Å; E277-R280 IonicContact OE1-NH2 2.69Å; E277-R280 PolarHBondContact OE1-NH2 2.9Å; E277-K281 WeakPolarHBondContact O-CE 3.43Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-NZ 3.43Å
278D82.3Confident60.3Low90 Ų90116.6 Ų116.648%0.48168%0.681SS.*Hα-helixtrans-92.7-35.6167.3-125.239.4000110.5D275 R280 K281 L282D275-D278 PolarHBondContact O-N 2.95Å; D278-R280 VanDerWaalsContact C-N 3.34Å; D278-R280 PolarHBondContact O-N 3.28Å; D278-K281 PolarHBondContact O-N 3.17Å; D278-K281 IonicContact OD1-NZ 3.11Å; D278-K281 PolarHBondContact OD1-NZ 3.14Å; D278-K281 VanDerWaalsContact OD1-NZ 3.11Å; D278-L282 WeakPolarHBondContact O-CG 3.37Å; D278-L282 PolarHBondContact O-N 3.34Å
279M85.1Confident60.4Low87 Ų87116.6 Ų116.643%0.42968%0.681SS.*Hα-helixtrans-58.6-41.5170.1-68.2-158.3-68.300112.7D275 K281 L282 L283D275-M279 PolarHBondContact O-N 3.13Å; D275-M279 VanDerWaalsContact O-N 3.08Å; M279-K281 PolarHBondContact O-N 2.91Å; M279-L282 PolarHBondContact O-N 2.93Å; M279-L283 WeakPolarHBondContact O-CG 3.15Å; M279-L283 PolarHBondContact O-N 3.16Å
280R77.3Confident60.4Low103 Ų103121 Ų12139%0.38969%0.685SS.*Hα-helixtrans-55.8-49.8173.6-76.3-168.8-67.8-91.410.9112.5E276 E277 D278 L282 L283 G284E276-R280 VanDerWaalsContact CG-NH1 3.29Å; E276-R280 WeakPolarHBondContact O-CG 3.29Å; E276-R280 PolarHBondContact O-N 3.37Å; E276-R280 VanDerWaalsContact O-N 3.09Å; E277-R280 IonicContact OE1-CZ 3.76Å; E277-R280 IonicContact OE1-NH2 2.69Å; E277-R280 PolarHBondContact OE1-NH2 2.9Å; D278-R280 VanDerWaalsContact C-N 3.34Å; D278-R280 PolarHBondContact O-N 3.28Å; R280-L282 VanDerWaalsContact C-N 3.29Å; R280-L282 PolarHBondContact O-N 3.42Å; R280-L283 PolarHBondContact O-N 3.49Å; R280-L283 VanDerWaalsContact O-N 3.11Å; R280-G284 PolarHBondContact O-N 3.46Å
281K76.3Confident60.1Low123 Ų123119.9 Ų119.954%0.53568%0.683SS.*Hα-helixtrans-63.5-33.3179.3-62.1175.6-158120.30113.1E277 D278 M279E277-K281 WeakPolarHBondContact O-CE 3.43Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-NZ 3.43Å; D278-K281 PolarHBondContact O-N 3.17Å; D278-K281 IonicContact OD1-NZ 3.11Å; D278-K281 PolarHBondContact OD1-NZ 3.14Å; D278-K281 VanDerWaalsContact OD1-NZ 3.11Å; M279-K281 PolarHBondContact O-N 2.91Å
282L77.9Confident59.8Low141 Ų141123.6 Ų123.674%0.73869%0.69SS**Hα-helixtrans-73.1-28176.1-72.9168.2000113D278 M279 R280D278-L282 WeakPolarHBondContact O-CG 3.37Å; D278-L282 PolarHBondContact O-N 3.34Å; M279-L282 PolarHBondContact O-N 2.93Å; R280-L282 VanDerWaalsContact C-N 3.29Å; R280-L282 PolarHBondContact O-N 3.42Å
283L78.8Confident59.1Low155 Ų155121.1 Ų121.181%0.81269%0.688SS**Hα-helixtrans-91.6-16.2-179.8-66.7172.4000113.7M279 R280M279-L283 WeakPolarHBondContact O-CG 3.15Å; M279-L283 PolarHBondContact O-N 3.16Å; R280-L283 PolarHBondContact O-N 3.49Å; R280-L283 VanDerWaalsContact O-N 3.11Å
284G55.2Low58.3Low41 Ų41121.4 Ų121.442%0.42369%0.691SS.*  trans89105.7168.300000113.9R280 S286R280-G284 PolarHBondContact O-N 3.46Å; G284-S286 PolarHBondContact O-N 3.36Å
285D50.4Low57.4Low125 Ų125122.8 Ų122.867%0.66870%0.697SS**SBendtrans-72.449.5-177.5-55.3-64.9000113.8
286S48.3Very low55.2Low112 Ų112120.9 Ų120.978%0.78370%0.704SS**  trans-107.95.4-166.3-167.70000115.8G284G284-S286 PolarHBondContact O-N 3.36Å
287V50.1Low53Low135 Ų135126.3 Ų126.382%0.81872%0.719SS**SBendtrans-133.228.5-170.2-67.30000115.6
288E44.3Very low50.7Low185 Ų185126 Ų12686%0.86473%0.729SS**  trans-143.969.1177-159.7104.3-111.100113.4
289S39Very low48.2Very low117 Ų117127 Ų12782%0.81874%0.743SS**  trans-156.245.4172.9-85.40000116.3
290I36.3Very low45.5Very low169 Ų169127.7 Ų127.787%0.86776%0.757SS**  trans-135.2102148.4-60.287.5000109.9
291S30Very low43.3Very low118 Ų118129 Ų12983%0.82578%0.776SS**  trans-154.8121.4140.453.50000110.1
292M36.5Very low41.3Very low191 Ų191133 Ų13394%0.94179%0.793SS**  trans-81.9137176.2-74.4-73.9-163.800110
293S34.4Very low39.1Very low128 Ų128137.4 Ų137.490%0.89580%0.8SS**  trans-86.7124.5167.850.30000110.7
294G31.7Very low37.3Very low73 Ų73135.7 Ų135.775%0.75380%0.798SS**  trans-165.2127.6-177.800000112.2
295P41.2Very low36.1Very low139 Ų139139.6 Ų139.690%0.90381%0.809SS**  trans-108.4149.7-168.238.4-33.4000115
296G27.5Very low35.2Very low74 Ų74143.5 Ų143.576%0.76382%0.815SS**  trans-177.789.1173.700000120
297R32.1Very low34.5Very low239 Ų239145.5 Ų145.590%0.90282%0.815SS**  trans42.6113.8132.5-72.3-178.4159.2-155.5-5.5122.8
298S30.8Very low33.5Very low100 Ų100145.9 Ų145.970%0.69981%0.811SS**  77144.3118.772.60000123.9
299S29.1Very low33Very low112 Ų112144.2 Ų144.278%0.78381%0.807SS**  trans72.5152.7154.1750000118.5
300S28.4Very low32.7Very low102 Ų102144 Ų14471%0.71381%0.805SS**  cis-167.8145.6-25.951.40000112.1
301V31.1Very low33.3Very low130 Ų130141.9 Ų141.979%0.78880%0.803SS**  trans28.4114.8144.1-171.10000119
302K33.5Very low33.3Very low206 Ų206144.5 Ų144.590%0.89681%0.807SS**  -170.5112.7125.2-104.8160.5-174177.70114.9
303R31.9Very low32.9Very low234 Ų234138.7 Ų138.788%0.88379%0.789SS**  trans-83.7174.2138.9-82.7-179.7-178.6149.9-0107.4
304P42Very low32.9Very low119 Ų119139.5 Ų139.577%0.77378%0.783SS**  cis-137.5-161.725.647.2-26.9000112.6
305D28.8Very low33.1Very low123 Ų123143.8 Ų143.866%0.65878%0.783SS**  cis-140.8-972.4-168.9-134.2000114.3
306R32.3Very low32.4Very low207 Ų207142.8 Ų142.878%0.78177%0.774SS**  trans-155.2161.8-162.3-62.4161.1167.9164.7-9.3110.5
307I33.3Very low32.6Very low154 Ų154143.8 Ų143.879%0.7978%0.775SS**  -176106.7127.4-95.1151.2000110.1
308I30.4Very low32.6Very low144 Ų144136.2 Ų136.274%0.73876%0.764SS**  64.4138.1109.2-19-178000118.8
309L32Very low32.7Very low149 Ų149138.8 Ų138.878%0.7877%0.769SS**  trans10086.4155.8-58.9179.9000120.7
310S33.8Very low32.9Very low112 Ų112140.3 Ų140.378%0.78377%0.768SS**  41.9151.1111.4-50.60000123.8
311P48.5Very low32.9Very low126 Ų126140.2 Ų140.282%0.81876%0.763SS**  trans-114.8169.7-163.243.4-34000116.8
312L29.8Very low32.9Very low172 Ų172141.4 Ų141.490%0.90176%0.764SS**  trans-160167.9166.2-158.870000108.9
313A28.8Very low32.7Very low70 Ų70137.3 Ų137.358%0.57976%0.761SS**  -174.2146.2-74.200000107.8
314L34.3Very low32.7Very low145 Ų145131.8 Ų131.876%0.75976%0.758SS**  trans68.5143.1162.4-63.5165.2000121.5
315H34.8Very low33Very low163 Ų163131.9 Ų131.976%0.75576%0.759SS**  trans113.3155.1147-55.4108.6000117.6
316T28.1Very low33Very low117 Ų117130.4 Ų130.472%0.71876%0.759SS**  cis172.7132.3-47.4-85.60000107.8
317A31.8Very low33.5Very low95 Ų95128.7 Ų128.779%0.78576%0.759SS**  trans62.2172.4164.500000117.4
318A31.1Very low33.6Very low80 Ų80129.7 Ų129.766%0.66176%0.761SS**  cis-171.6-168.8-38.500000108.7
319L32.1Very low33.7Very low155 Ų155130.2 Ų130.281%0.81277%0.765SS**  trans75160.2167-46.4-178.4000115.9
320L33.4Very low33.9Very low143 Ų143130.2 Ų130.275%0.74976%0.761SS**  cis-168.3172.8-26.2-94.9176.8000105.7
321T28.3Very low34.1Very low100 Ų100135 Ų13561%0.61376%0.762SS**  cis-161.1157.94.81.10000109.9
322L31.9Very low33.6Very low155 Ų155138.8 Ų138.881%0.81277%0.769SS**  trans46.8139.4140.7-64.2164.4000123.8
323S29.9Very low33.8Very low120 Ų120135.2 Ų135.284%0.83976%0.764SS**  -172.1140.6119.1-80.80000113.5
324S31.4Very low34.3Very low118 Ų118136.7 Ų136.783%0.82578%0.776SS**  trans-152.4150.9172.7-55.60000111.2
325P49.1Very low34.5Very low122 Ų122134.5 Ų134.579%0.79278%0.779SS**  trans-128.7143.8134.25.616.9000111.8
326S27.7Very low34.8Very low92 Ų92135.5 Ų135.564%0.64378%0.784SS**  64.1100.773.3-93.40000113.3
327E42.8Very low35.6Very low170 Ų170136 Ų13679%0.79479%0.789SS**  92.914987.9-83167165.500111.2
328E35.4Very low36.1Very low176 Ų176136.7 Ų136.782%0.82279%0.788SS**  cis-151.4170.76.8-140.1177.7174.600109.6
329D32.6Very low37.1Very low154 Ų154138.5 Ų138.582%0.82479%0.793SS**  160.3175.7128.1-141.8-14.1000115.3
330E36.3Very low37.6Very low149 Ų149137.2 Ų137.270%0.69679%0.794SS**  trans-69132.1-151.7-77.9-159.4115.700122.3
331R38.1Very low37.8Very low212 Ų212136 Ų13680%0.880%0.797SS**  25119.6125.2-57173.2176.1179.90.4121
332Q37.1Very low38.6Very low207 Ų207137.2 Ų137.297%0.96781%0.807SS**  -160.1-178.8122.9-113.4168.665.400112.4
333A34.5Very low38.7Very low97 Ų97134.3 Ų134.380%0.80280%0.799SS**  trans-117.3149.6-145.700000118.6
334A40.4Very low39Very low101 Ų101134.7 Ų134.784%0.83580%0.801SS**  trans81.4147.6148.200000121.8
335A38Very low39.3Very low99 Ų99137.5 Ų137.582%0.81880%0.8SS**  trans70.8117.5164.700000119.9
336H40.5Very low38.6Very low184 Ų184137.2 Ų137.285%0.85280%0.801SS**  trans-77.7157.6162-57.5-87.2000111.2
337P45.3Very low39Very low127 Ų127137.9 Ų137.983%0.82581%0.806SS**  -137.9154.5111.437.6-27.8000114.4
338S42.8Very low39.2Very low110 Ų110135.3 Ų135.377%0.76980%0.804SS**PPolyproline II helixtrans-90.7152-179-53.80000113.4
339P51.3Low39.2Very low118 Ų118135.6 Ų135.677%0.76680%0.803SS**PPolyproline II helixtrans-75.6162.1173.932-35.8000113.4
340P42.1Very low39.9Very low128 Ų128139.7 Ų139.783%0.83181%0.807SS**PPolyproline II helixtrans-88.8149.9-171.134.6-36.2000115.1
341S38.8Very low40.3Very low117 Ų117142.4 Ų142.482%0.81882%0.817SS**PPolyproline II helixtrans-94.5150.4171.7-630000112.7
342P44.4Very low40.9Very low126 Ų126138.7 Ų138.782%0.81882%0.818SS**PPolyproline II helixtrans-81.5164.3-173.832.4-36.6000115.4
343S34.5Very low41Very low93 Ų93132.5 Ų132.565%0.6581%0.81SS**PPolyproline II helixtrans-72.8127.8-177.8176.20000114
344C35.8Very low41.5Very low128 Ų128137.4 Ų137.487%0.86582%0.816SS**  trans-85.6106.2168.6-68.70000111.2
345H36.9Very low41.4Very low177 Ų177137.8 Ų137.882%0.81982%0.819SS**PPolyproline II helixtrans-77.4120.8170.9-73.1-98.2000110.9
346S35.2Very low41.3Very low116 Ų116144.2 Ų144.281%0.81182%0.822SS**PPolyproline II helixtrans-89.4130.6178.551.40000112.4
347S35.6Very low41.1Very low107 Ų107139.5 Ų139.575%0.74882%0.815SS**PPolyproline II helixtrans-80129.5175.2-178.60000111.3F349S347-F349 PolarHBondContact O-N 3.49Å
348P47.4Very low41Very low116 Ų116142 Ų14275%0.75382%0.816SS**  trans-9775-17037.6-36.2000113.9
349F36.5Very low40.7Very low182 Ų182145.7 Ų145.780%0.79882%0.818SS**  trans-133.992.2166.2-83.9-75000113.1S347S347-F349 PolarHBondContact O-N 3.49Å
350R46.3Very low39.9Very low240 Ų240144.7 Ų144.791%0.90681%0.814SS**  trans-135.3125154.5-74.2-163.4176.5-152-0.3110.5
351F45.1Very low40.1Very low206 Ų206144.2 Ų144.290%0.90481%0.811SS**  trans-77.6118.4172.3-112.6-102.6000109.7
352T50.2Low39.6Very low134 Ų134144.9 Ų144.982%0.82282%0.816SS**  trans-13393.4166.151.90000109.8Q354T352-Q354 PolarHBondContact O-N 3.21Å
353G39.4Very low38.9Very low77 Ų77143.3 Ų143.379%0.79481%0.814SS**  trans-86.3108.8-178.900000112.8
354Q45.4Very low38.8Very low200 Ų200147.5 Ų147.594%0.93583%0.828SS**  trans-133.8136.9153.6-70.6-161.710.100109.6T352T352-Q354 PolarHBondContact O-N 3.21Å
355A36.9Very low38.3Very low109 Ų109146.4 Ų146.490%0.90182%0.822SS**  trans-120.8122.7-178.800000110.2
356R37.9Very low39.1Very low233 Ų233143.3 Ų143.388%0.87982%0.817SS**  trans-136.7101.5168.8-166.4177-170.7-174.72.1109.2
357A36Very low38.7Very low85 Ų85145.3 Ų145.370%0.70281%0.813SS**  trans-85.8141175.300000110.9
358Q42.2Very low38.4Very low180 Ų180149.1 Ų149.184%0.84181%0.811SS**  trans-123.3161.8151-72-166.4-9.500108.3
359F36Very low37.7Very low187 Ų187152.4 Ų152.482%0.8282%0.817SS**  trans-115.5140.4-158.4-98.8-81000113.6
360S34.5Very low37.3Very low98 Ų98147 Ų14769%0.68581%0.812SS**  trans70.2175.6147.3-52.30000116.4
361P46.3Very low36.5Very low117 Ų117140.8 Ų140.876%0.7681%0.806SS**  -135.9166.6-70.640.1-25.9000113.3
362S28.1Very low35.8Very low132 Ų132137.1 Ų137.192%0.92380%0.8SS**  trans-156.3136.2151.6-84.40000110.8
363A31.7Very low34.9Very low93 Ų93138.2 Ų138.277%0.76980%0.796SS**  trans-131.8125171.400000108.2
364L30.8Very low34.5Very low181 Ų181143.3 Ų143.395%0.94880%0.797SS**  trans-150.9153.8160.5-92.4-172.8000110.5
365S26.6Very low33.9Very low105 Ų105138.1 Ų138.173%0.73479%0.787SS**  trans-172167.6-177.3-166.80000106
366P52.1Low33.6Very low111 Ų111142 Ų14272%0.72179%0.787SS**  cis-119.6173.8-26.537.8-25.2000112
367E28.5Very low33.3Very low158 Ų158134.1 Ų134.174%0.73878%0.778SS**  trans174.5173.7141.7-98.1-157.5129.100109.1
368R29.4Very low33.7Very low187 Ų187135.7 Ų135.771%0.70678%0.781SS**  -175.3124.2-51.5170.5-170-94.4159.4-14.8107
369Q32.3Very low33.2Very low185 Ų185137.4 Ų137.486%0.86478%0.78SS**  trans28125.9157.6-56.5168-62.800120.9
370G27.3Very low32.9Very low68 Ų68139.3 Ų139.370%0.70178%0.782SS**  trans177.4106.4157.200000117.7
371S30.4Very low32.5Very low111 Ų111138.8 Ų138.878%0.77678%0.777SS**  trans61.7139.1170.364.30000117.1
372T30Very low31.7Very low128 Ų128141.2 Ų141.279%0.78578%0.778SS**  cis70.3126.733.775.80000113.7
373Q32.2Very low31.8Very low157 Ų157140.1 Ų140.173%0.73477%0.77SS**  cis-151.217140.1-56.5-178.5-1.400114.4
374K31.1Very low32Very low185 Ų185141.6 Ų141.680%0.80478%0.775SS**  trans55.7110.5153.8-74.9178.3177.4-176.70118.2
375A32.5Very low31.9Very low90 Ų90138.5 Ų138.574%0.74477%0.768SS**  87.5141.99400000112
376E30.1Very low32.3Very low192 Ų192138.7 Ų138.790%0.89777%0.77SS**  cis-138.61768.4-139.2159.3124.400110.2
377G31.9Very low31.6Very low66 Ų66138.3 Ų138.368%0.6877%0.769SS**  trans-88.9-158.6-178.600000114.2
378P43.5Very low32.1Very low119 Ų119139.1 Ų139.177%0.77377%0.773SS**  cis-139.3177.8-11.638.2-19.8000115.5
379R33Very low32.8Very low215 Ų215135 Ų13581%0.81178%0.779SS**  trans113.6127.1155.1-65.4176.6171.2-143.7-5.1118
380R28.7Very low33.3Very low228 Ų228133.8 Ų133.886%0.8677%0.773SS**  trans64140.8158.9-66.2-179.9-177174.6-0.1115.4
381C26.5Very low33.9Very low87 Ų87137.5 Ų137.559%0.58878%0.782SS**  cis-158.5167.68.1-129.70000113.3
382H29.8Very low34.4Very low167 Ų167138.3 Ų138.377%0.77378%0.777SS**  trans61.3108.5154.1-59.7-49.8000121.8
383S29.2Very low35.1Very low110 Ų110136 Ų13677%0.76977%0.766SS**  118.1136.6119.4-66.80000121.1
384S37.3Very low36Very low124 Ų124135 Ų13587%0.86777%0.765SS**  trans78.389.7149.4-59.20000121.2
385S28Very low37.1Very low115 Ų115133.2 Ų133.280%0.80476%0.76SS**  trans-142.3115.1142.6580000107.1
386S34.7Very low38.1Very low110 Ų110135.5 Ų135.577%0.76976%0.755SS**  90.5115.470.1-179.70000112.6
387S38.1Very low39.1Very low102 Ų102132.5 Ų132.571%0.71374%0.744SS**  trans47.691.4149.5178.30000118.5
388H39.1Very low40.1Very low176 Ų176137.1 Ų137.182%0.81575%0.746SS**  trans-136.5136.7130-85.7-83.4000108.7
389A42.5Very low40.1Very low101 Ų101137.5 Ų137.584%0.83575%0.748SS**  trans-121.996.1175.700000107.4
390E42.6Very low40.6Very low158 Ų158133.4 Ų133.474%0.73875%0.747SS**  trans-103.9135.5178-65.5-177.815400108.5L392E390-L392 PolarHBondContact O-N 2.85Å
391V40.1Very low41.3Very low147 Ų147131.2 Ų131.289%0.89175%0.747SS**  trans-87.3101.8-177.7-179.50000107.7
392L42.2Very low42.2Very low128 Ų128132.9 Ų132.967%0.6776%0.757SS**  trans-63.2137.7171-55.8-177.8000109.4E390E390-L392 PolarHBondContact O-N 2.85Å
393S43.3Very low42.7Very low79 Ų79128.5 Ų128.555%0.55276%0.756SS**  trans-78.1154.5179.3-153.70000110.6E395 E396S393-E395 WeakPolarHBondContact CB-OE2 3.32Å; S393-E395 PolarHBondContact O-N 2.98Å; S393-E395 VanDerWaalsContact O-N 3.09Å; S393-E395 PolarHBondContact OG-OE2 3.03Å; S393-E396 PolarHBondContact O-N 3.35Å
394L51.9Low43.4Very low137 Ų137129.1 Ų129.172%0.71776%0.761SS**G310 helixtrans-63.5-18.5-174.8-90.4158.4000113.6E396 L397L394-E396 VanDerWaalsContact C-N 3.27Å; L394-E396 PolarHBondContact O-N 3.22Å; L394-L397 HydrophobicContact CD2-CD1 4.22Å
395E54.7Low43.5Very low146 Ų146131.7 Ų131.768%0.68276%0.759SS**G310 helixtrans-69.8-15.6178.6-65.570-153.900114S393S393-E395 WeakPolarHBondContact CB-OE2 3.32Å; S393-E395 PolarHBondContact O-N 2.98Å; S393-E395 VanDerWaalsContact O-N 3.09Å; S393-E395 PolarHBondContact OG-OE2 3.03Å
396E53.6Low44Very low139 Ų139134.6 Ų134.665%0.6576%0.759SS**G310 helixtrans-87-7.3-178.6-160.3171-172.900113.7S393 L394 F398S393-E396 PolarHBondContact O-N 3.35Å; L394-E396 VanDerWaalsContact C-N 3.27Å; L394-E396 PolarHBondContact O-N 3.22Å; E396-F398 VanDerWaalsContact C-N 3.3Å; E396-F398 PolarHBondContact O-N 3.1Å
397L50.2Low45.1Very low128 Ų128133.7 Ų133.767%0.6775%0.751SS**G310 helixtrans-81.91.3-177.3-77.5171.2000115.2L394L394-L397 HydrophobicContact CD2-CD1 4.22Å
398F52.4Low44.8Very low163 Ų163137.1 Ų137.172%0.71576%0.755SS**SBendtrans-130.4105176.4-62.6-75.9000111.2E396 V400E396-F398 VanDerWaalsContact C-N 3.3Å; E396-F398 PolarHBondContact O-N 3.1Å; F398-V400 PolarHBondContact O-N 3.15Å
399P44.6Very low44.6Very low127 Ų127133.8 Ų133.883%0.82575%0.752SS**  trans-65.792.3169.2-20.834000110.9E401P399-E401 VanDerWaalsContact C-N 3.29Å; P399-E401 PolarHBondContact O-N 3.34Å
400V43.9Very low44.3Very low129 Ų129137.5 Ų137.578%0.78275%0.752SS**  trans-78.483.7167.4-178.50000107.7F398 P402F398-V400 PolarHBondContact O-N 3.15Å; V400-P402 WeakPolarHBondContact O-CD 3.3Å
401E42.5Very low43.9Very low182 Ų182137.5 Ų137.585%0.8575%0.754SS**  trans-78.3116.2177.6-171.7163.9-139.900110.6P399 G403P399-E401 VanDerWaalsContact C-N 3.29Å; P399-E401 PolarHBondContact O-N 3.34Å; E401-G403 PolarHBondContact O-N 3.21Å; E401-G403 VanDerWaalsContact O-N 3.11Å
402P46.6Very low43.7Very low123 Ų123135.4 Ų135.480%0.79975%0.745SS**  trans-89.183.3-168.435.2-34.7000112.6V400V400-P402 WeakPolarHBondContact O-CD 3.3Å
403G39.7Very low43.5Very low74 Ų74134.3 Ų134.376%0.76375%0.748SS**  trans80.6118.1150.300000118.2E401E401-G403 PolarHBondContact O-N 3.21Å; E401-G403 VanDerWaalsContact O-N 3.11Å
404S44Very low42.9Very low124 Ų124135.2 Ų135.287%0.86776%0.761SS**  trans-143.2138.2148.157.60000109.6
405E39.9Very low42.1Very low178 Ų178133.9 Ų133.983%0.83276%0.763SS**  trans-99.9174.2177.1-61.1-175.7155.700111.7
406H37.5Very low41.4Very low175 Ų175132.4 Ų132.481%0.8177%0.769SS**  trans79.5153.9166.9-87.959.9000118.1
407P57Low40.7Very low91 Ų91134 Ų13459%0.59178%0.776SS**  trans-138-162.8-136.435.8-12.2000115.3
408H32.7Very low40.4Very low174 Ų174133.3 Ų133.381%0.80677%0.769SS**  trans97.9149.1165.3-63.4-73.9000119.8
409S34.6Very low40.2Very low106 Ų106132.9 Ų132.974%0.74177%0.773SS**  trans70.9118.7174.2-61.40000117
410H35.9Very low40.6Very low180 Ų180136.1 Ų136.183%0.83377%0.769SS**  55.9119.768.7-84-113.6000111.5
411M35.2Very low41.3Very low158 Ų158135.2 Ų135.278%0.77876%0.763SS**  cis-158152.539.4-64.617757.500112.8
412S35.2Very low41.8Very low103 Ų103133 Ų13372%0.7276%0.758SS**  trans62.9147.7146.7-68.80000120.8
413S38.5Very low42.4Very low105 Ų105132.9 Ų132.973%0.73475%0.754SS**  cis-167159.4-12-960000110.3
414A31.2Very low43.5Very low98 Ų98134.9 Ų134.981%0.8175%0.745SS**  trans67.3145.8162.200000118.5
415S34.3Very low44.4Very low109 Ų109133.4 Ų133.476%0.76273%0.731SS**  cis-166.8132.6-19.448.80000109.5
416S39.4Very low45.1Very low115 Ų115131.9 Ų131.980%0.80473%0.727SS**  trans-152.695.7170.960.90000111.5E418S416-E418 PolarHBondContact O-N 3.11Å; S416-E418 VanDerWaalsContact O-N 3.08Å
417E38.7Very low46.3Very low172 Ų172129.7 Ų129.780%0.80472%0.722SS**  trans-56.3105.6167.9-127.558.2-169.400108.3
418E44.2Very low46.7Very low113 Ų113131.2 Ų131.253%0.52872%0.721SS.*  73.772.785.3-166.3165.9-90.200113.7S416 R420S416-E418 PolarHBondContact O-N 3.11Å; S416-E418 VanDerWaalsContact O-N 3.08Å; E418-R420 HydrophobicContact CG-CG 3.62Å; E418-R420 IonicContact OE1-CZ 3.2Å; E418-R420 IonicContact OE1-NE 2.81Å; E418-R420 PolarHBondContact OE1-NE 3.26Å; E418-R420 IonicContact OE1-NH2 2.72Å; E418-R420 PolarHBondContact OE1-NH2 3.47Å; E418-R420 IonicContact OE2-CZ 3.4Å; E418-R420 IonicContact OE2-NE 3.09Å; E418-R420 PolarHBondContact OE2-NE 2.92Å; E418-R420 VanDerWaalsContact OE2-NE 3.09Å; E418-R420 IonicContact OE2-NH2 3.2Å; E418-R420 PolarHBondContact OE2-NH2 3.06Å
419I48.4Very low48.2Very low154 Ų154129.5 Ų129.579%0.7972%0.717SS**  trans-9589.7154.1-55.6179.5000107.3V421I419-V421 VanDerWaalsContact C-N 3.25Å; I419-V421 HydrophobicContact CG2-CG2 3.86Å; I419-V421 PolarHBondContact O-N 3.02Å
420R53.6Low49.6Very low195 Ų195130.6 Ų130.674%0.73671%0.713SS**  trans-71.581.2170.9-68-170.1-170.7177.314.7110.3E418 N422E418-R420 HydrophobicContact CG-CG 3.62Å; E418-R420 IonicContact OE1-CZ 3.2Å; E418-R420 IonicContact OE1-NE 2.81Å; E418-R420 PolarHBondContact OE1-NE 3.26Å; E418-R420 IonicContact OE1-NH2 2.72Å; E418-R420 PolarHBondContact OE1-NH2 3.47Å; E418-R420 IonicContact OE2-CZ 3.4Å; E418-R420 IonicContact OE2-NE 3.09Å; E418-R420 PolarHBondContact OE2-NE 2.92Å; E418-R420 VanDerWaalsContact OE2-NE 3.09Å; E418-R420 IonicContact OE2-NH2 3.2Å; E418-R420 PolarHBondContact OE2-NH2 3.06Å; R420-N422 PolarHBondContact O-N 3Å
421V59.3Low50.2Low110 Ų110127.2 Ų127.267%0.66771%0.707SS**  trans-66.5105162.1-170.20000106.8I419 V423I419-V421 VanDerWaalsContact C-N 3.25Å; I419-V421 HydrophobicContact CG2-CG2 3.86Å; I419-V421 PolarHBondContact O-N 3.02Å; V421-V423 HydrophobicContact CB-CG2 4.27Å; V421-V423 HydrophobicContact CG1-CG2 3.72Å; V421-V423 PolarHBondContact O-N 2.78Å
422N51.3Low50.4Low137 Ų137125.1 Ų125.173%0.73371%0.707SS**  trans-76.967.9-178.3-163.185.2000110.4R420 M424R420-N422 PolarHBondContact O-N 3Å; N422-M424 PolarHBondContact O-N 3.26Å
423V59.5Low50.8Low119 Ų119128.8 Ų128.872%0.72171%0.713SS**  trans-65.6100.7176.1-177.20000107.8V421 T425V421-V423 HydrophobicContact CB-CG2 4.27Å; V421-V423 HydrophobicContact CG1-CG2 3.72Å; V421-V423 PolarHBondContact O-N 2.78Å; V423-T425 PolarHBondContact O-N 2.95Å
424M63.8Low50.9Low116 Ų116129.5 Ų129.557%0.57171%0.713SS**  trans-62.3134.9177-54.1-169.58200108.8N422 E428N422-M424 PolarHBondContact O-N 3.26Å; M424-E428 WeakPolarHBondContact CE-OE2 3.47Å
425T61.4Low51.7Low93 Ų93130.4 Ų130.457%0.57171%0.711SS**  trans-63.6139.8-173.438.10000110.9V423 D427 E428V423-T425 PolarHBondContact O-N 2.95Å; T425-D427 PolarHBondContact O-N 3.17Å; T425-E428 PolarHBondContact O-N 3.48Å
426L56.3Low52.1Low146 Ų146134.1 Ų134.176%0.76472%0.716SS**G310 helixtrans-57.8-18.1-168.9-70.3168.2000114.8E428 L429L426-E428 PolarHBondContact O-N 3.15Å; L426-L429 HydrophobicContact CD2-CD1 4.26Å; L426-L429 PolarHBondContact O-N 3.28Å; L426-L429 VanDerWaalsContact O-N 3.12Å
427D62.9Low52.1Low129 Ų129140.3 Ų140.369%0.6972%0.721SS**G310 helixtrans-61.4-22.6174.5-57.8-51.3000113.7T425 L429T425-D427 PolarHBondContact O-N 3.17Å; D427-L429 VanDerWaalsContact C-N 3.27Å; D427-L429 PolarHBondContact O-N 2.94Å
428E64Low52Low124 Ų124139.9 Ų139.958%0.57972%0.719SS**G310 helixtrans-76.8-9.3175.3-68.2-169.5169.300113.9M424 T425 L426M424-E428 WeakPolarHBondContact CE-OE2 3.47Å; T425-E428 PolarHBondContact O-N 3.48Å; L426-E428 PolarHBondContact O-N 3.15Å
429L64.6Low51.7Low138 Ų138141.6 Ų141.672%0.72373%0.732SS**G310 helixtrans-97.317.5-178-63-178.8000114.1L426 D427 P431L426-L429 HydrophobicContact CD2-CD1 4.26Å; L426-L429 PolarHBondContact O-N 3.28Å; L426-L429 VanDerWaalsContact O-N 3.12Å; D427-L429 VanDerWaalsContact C-N 3.27Å; D427-L429 PolarHBondContact O-N 2.94Å; L429-P431 WeakPolarHBondContact O-CD 3.48Å
430I63.1Low51.2Low128 Ų128142.2 Ų142.266%0.65673%0.732SS**  trans-84.6116.6174.3-56.1176.8000109.6C432I430-C432 PolarHBondContact O-N 2.74Å
431P48.8Very low50.4Low109 Ų109140.2 Ų140.271%0.70874%0.736SS**  trans-66122.7175-1933.1000110.7L429 E433L429-P431 WeakPolarHBondContact O-CD 3.48Å; P431-E433 PolarHBondContact O-N 2.75Å
432C39.6Very low49.5Very low115 Ų115144 Ų14478%0.77774%0.743SS**  trans-76.787.3178.2-169.80000110.8I430 T434I430-C432 PolarHBondContact O-N 2.74Å; C432-T434 PolarHBondContact O-N 2.65Å
433E44.6Very low48.6Very low180 Ų180145.3 Ų145.384%0.84175%0.747SS**  trans-64.6110.9171.2-67.1-167.3159.100110.1P431 P435P431-E433 PolarHBondContact O-N 2.75Å; E433-P435 WeakPolarHBondContact O-CD 3.35Å
434T40Very low47.4Very low120 Ų120144.1 Ų144.174%0.73675%0.749SS**  trans-99.2103.9-17941.40000111.1C432 E436C432-T434 PolarHBondContact O-N 2.65Å; T434-E436 PolarHBondContact O-N 2.91Å
435P47Very low45.9Very low117 Ų117146.3 Ų146.376%0.7676%0.763SS**  trans-71.3114.1171.228.1-32.8000110.3E433E433-P435 WeakPolarHBondContact O-CD 3.35Å
436E43Very low44.5Very low186 Ų186146 Ų14687%0.86977%0.771SS**  trans16.6112.3142.4-173.1175-147.300116.6T434T434-E436 PolarHBondContact O-N 2.91Å
437R39.2Very low43.8Very low245 Ų245145.7 Ų145.793%0.92578%0.775SS**  trans-125.2120.5161.7-105.5-173.7-178.6-1711.7114.4
438Q38.3Very low43.1Very low163 Ų163145.6 Ų145.676%0.76278%0.781SS**  trans-74.9130.5179-170.4177.574.400110.7Q440Q438-Q440 PolarHBondContact O-N 3.4Å
439N36.1Very low41.5Very low150 Ų150143.2 Ų143.280%0.80279%0.79SS**  trans-77.2121.4-179-76.3-51.1000112.1
440Q38.8Very low40.1Very low167 Ų167141.4 Ų141.478%0.7879%0.788SS**  trans-137.9104.2161.1-68.2-164.93300110.6Q438Q438-Q440 PolarHBondContact O-N 3.4Å
441N36.2Very low38.9Very low152 Ų152144.1 Ų144.181%0.81380%0.799SS**  trans-117.6120.1171.9-74.1-8.1000109.5
442K40.9Very low38Very low189 Ų189143.6 Ų143.682%0.82280%0.797SS**  trans-165.3140.1151.2-121.5-179.9-179.9179.60116
443M32.2Very low37.8Very low165 Ų165148.2 Ų148.281%0.81380%0.799SS**  trans76.6137.8148.2-81.8163.2142.800121.4
444A33.7Very low37.3Very low94 Ų94150.1 Ų150.178%0.77780%0.798SS**  trans71.1140.9150.500000119
445D32.3Very low37.1Very low162 Ų162153.2 Ų153.287%0.86680%0.804SS**  cis-165.8-174-24.7-143.7-39.8000109.5
446A34Very low36.6Very low88 Ų88154.6 Ų154.673%0.72780%0.804SS**  trans71.687155.100000120.1
447V39.6Very low36.2Very low139 Ų139150.1 Ų150.184%0.84279%0.793SS**  trans-74165.4143.6161.60000109
448P48.3Very low36.3Very low126 Ų126143.7 Ų143.782%0.81878%0.783SS**  cis-131.9174.24.127.8-4.8000117.9
449G30.3Very low35.6Very low74 Ų74146.3 Ų146.376%0.76379%0.787SS**  trans146.2150.2146.900000114.7
450S35.6Very low35.5Very low100 Ų100147.6 Ų147.670%0.69979%0.788SS**  cis-168.3133.3-15.8-178.40000109.6
451Q37.8Very low35.5Very low186 Ų186148 Ų14887%0.86979%0.79SS**  trans59.5169.1163.1-67.8172.812.700117
452S30.6Very low35.4Very low98 Ų98149 Ų14969%0.68579%0.789SS**  cis-169.5153.1-36.7-178.30000109
453R35.7Very low35.3Very low212 Ų212148.6 Ų148.680%0.879%0.79SS**  trans60.3112164.1-81-174.6170.8-131-1.9121.4
454R33.9Very low35.7Very low220 Ų220149.5 Ų149.583%0.8379%0.793SS**  43.8120.3114.3-66-175.2175.4-161.5-2.1119.8
455Q34.9Very low36Very low185 Ų185149 Ų14986%0.86479%0.789SS**  -168.8146.8113.1-97-179.798.800107.4
456L36.6Very low36.5Very low146 Ų146146.1 Ų146.176%0.76479%0.787SS**  cis-155.5163.5-19.3-125.5173000107.5
457S34.4Very low37Very low91 Ų91148.5 Ų148.564%0.63679%0.792SS**  trans-80.7173.8175.751.10000112.6
458P42Very low36.7Very low110 Ų110147.6 Ų147.671%0.71478%0.783SS**  -137.9126113.515.56.3000116.2
459W23.9Very low36.4Very low219 Ų219151.9 Ų151.983%0.8378%0.784SS**  trans63.5120.2141.1-52.5112.9000123.9
460E34.5Very low36.6Very low177 Ų177155.8 Ų155.883%0.82778%0.782SS**  trans-103.2-163.6147.3-62.4174.1108.900108.5
461E37.6Very low36.8Very low176 Ų176155.1 Ų155.182%0.82278%0.777SS**  trans73.1152.4173.3-53.3176.8133.400115.2
462E35.4Very low36.7Very low173 Ų173152.1 Ų152.181%0.80877%0.767SS**  cis-121139.34.5-85.7170.4146.200109.8
463E39Very low36.9Very low180 Ų180157.7 Ų157.784%0.84178%0.779SS**  69.4114.782.1-171.5175.6-118.800116.2
464E39.4Very low36.8Very low184 Ų184153.8 Ų153.886%0.8678%0.775SS**  -164.3155.1126.3-127.8-164.2178.800115.3
465A40.4Very low37.2Very low84 Ų84148.4 Ų148.469%0.69477%0.766SS**  trans23134.7152.900000122.8
466A43Very low37.3Very low101 Ų101145.5 Ų145.584%0.83576%0.757SS**  trans-87.7138.2169.900000113.4
467V44.5Very low37.4Very low138 Ų138144.4 Ų144.484%0.83676%0.761SS**  trans-137.9138.8158.3-169.80000110
468D33.3Very low37.5Very low119 Ų119144.8 Ų144.864%0.63676%0.764SS**  trans-53.3138.9169.5173.118.6000112.7H470D468-H470 IonicContact OD1-CD2 3.6Å; D468-H470 PolarHBondContact OD1-N 3.34Å; D468-H470 VanDerWaalsContact OD1-N 3.1Å
469Y42Very low37.3Very low217 Ų217144.4 Ų144.485%0.85177%0.77SS**  trans-145.868.1164.2-134.4-83.8000113.7S471Y469-S471 PolarHBondContact O-N 3.45Å
470H34.9Very low37.9Very low156 Ų156144.5 Ų144.572%0.72277%0.771SS**  trans-47.2130.2150-95.8-97000111.8D468D468-H470 IonicContact OD1-CD2 3.6Å; D468-H470 PolarHBondContact OD1-N 3.34Å; D468-H470 VanDerWaalsContact OD1-N 3.1Å
471S39.2Very low38Very low85 Ų85145.5 Ų145.559%0.59478%0.775SS**  trans-179.798139.4178.10000113Y469Y469-S471 PolarHBondContact O-N 3.45Å
472N36.1Very low37.8Very low123 Ų123143.5 Ų143.566%0.65877%0.769SS**  51.5109.2120.8-44.5-25.4000119.7
473F34.8Very low37.9Very low215 Ų215140.5 Ų140.594%0.94377%0.767SS**  -134.5102.1123.8-137.9-82.7000109
474D33.4Very low37.7Very low131 Ų131139 Ų13970%0.70176%0.76SS**  trans-110.2158.4-171.8-152.7-27.6000109.2
475T42.9Very low37.6Very low107 Ų107140 Ų14066%0.65676%0.757SS**  trans67.7133.3171.3-53.90000114.2
476D35.1Very low37.5Very low123 Ų123144.4 Ų144.466%0.65877%0.768SS**  cis-139.8138.135.4-148.3-28.3000114.6S478D476-S478 WeakPolarHBondContact OD1-CB 3.16Å; D476-S478 PolarHBondContact OD1-N 3.26Å; D476-S478 PolarHBondContact OD1-OG 2.86Å
477S40.4Very low37.1Very low123 Ų123143.3 Ų143.386%0.8677%0.767SS**  trans-144.984.9167.8-174.90000108.4
478S36.7Very low36.5Very low99 Ų99140.6 Ų140.669%0.69277%0.766SS**  trans-12382.1-168.5-73.20000113.3D476D476-S478 WeakPolarHBondContact OD1-CB 3.16Å; D476-S478 PolarHBondContact OD1-N 3.26Å; D476-S478 PolarHBondContact OD1-OG 2.86Å
479A36.9Very low36.4Very low103 Ų103137.3 Ų137.385%0.85176%0.761SS**  trans-133.7100.3164.300000109.8
480R37.2Very low36Very low221 Ų221137.6 Ų137.683%0.83476%0.762SS**  trans-83.8142-167.5-68.8176.4168.9-164-2.1114I482R480-I482 HydrophobicContact CB-CG1 4.43Å
481Q35.3Very low36.2Very low198 Ų198137.5 Ų137.593%0.92577%0.767SS**  trans-105.7124.2150.5-73.8-176.4-50.300109.9
482I33.6Very low36Very low133 Ų133142 Ų14268%0.68278%0.779SS**  trans-156.1137.1172.3-52.7178.5000106.1R480R480-I482 HydrophobicContact CB-CG1 4.43Å
483S38.9Very low36.1Very low110 Ų110145 Ų14577%0.76979%0.789SS**  cis-156.5147.7-25.6179.90000107.2
484E33.8Very low35.9Very low148 Ų148142.8 Ų142.869%0.69278%0.781SS**  trans-82.6177.3166.3-158.1175.3148.300110.6
485Y37.6Very low36.1Very low205 Ų205142.1 Ų142.180%0.80478%0.782SS**  trans70.791.6174.7-68.2-82.2000118.3
486L38.1Very low35.6Very low178 Ų178142.1 Ų142.193%0.93278%0.781SS**  -85.7153.8129.8-90.4167.3000109.1
487G35.4Very low35.5Very low78 Ų78145 Ų14580%0.80479%0.791SS**  trans-159.8159.1169.500000111
488G31.4Very low35.2Very low80 Ų80143.1 Ų143.183%0.82578%0.783SS**  trans127.4101.6168.500000115.4
489G31.6Very low35.1Very low51 Ų51144.4 Ų144.453%0.52679%0.786SS.*  110127.7126.400000118.5
490Y32.8Very low34.8Very low223 Ų223144.2 Ų144.288%0.87578%0.778SS**  trans71.2148.5151.5-29.3-68.3000115.4
491D38.7Very low34.4Very low153 Ų153144.1 Ų144.182%0.81878%0.778SS**  cis-139.2-178.76.6-136.2-29.5000112
492E36.1Very low34.3Very low181 Ų181140.7 Ų140.785%0.84677%0.771SS**  trans-89.7-161.4-178.1-61.4-158.3151.600115
493E37.7Very low34.2Very low186 Ų186141.7 Ų141.787%0.86978%0.778SS**  trans69.2148.2178.6-57.5-174.9-177.200117.1
494E30.6Very low34Very low167 Ų167143.7 Ų143.778%0.7878%0.775SS**  cis176.4-163.1-26.4176.5156.4169.900103.4
495V37.2Very low34Very low118 Ų118140.2 Ų140.272%0.71577%0.767SS**  trans7759.6161-1590000116.2
496T32Very low33.9Very low106 Ų106137.7 Ų137.765%0.6577%0.766SS**  50.2159.6115.168.80000122.8
497Q33.9Very low33.6Very low185 Ų185141.1 Ų141.186%0.86477%0.767SS**  trans73.9151.8162.9-64.4-172.723.300115.8
498A33.8Very low33.7Very low83 Ų83144.4 Ų144.469%0.68676%0.759SS**  cis-179.6164.6-17.500000105.7
499V34.3Very low34.1Very low125 Ų125146.6 Ų146.676%0.75876%0.757SS**  cis-163.5155.2-7114.80000107.5
500S30.6Very low34.3Very low99 Ų99150.2 Ų150.269%0.69276%0.76SS**  trans64.9166.5162.1-830000118.6
501R30.2Very low34.3Very low219 Ų219146.5 Ų146.583%0.82676%0.755SS**  cis178.7167.7-38.6-114.3179.2173.8-168.9-1.3107.2
502T31.5Very low34.1Very low126 Ų126146.1 Ų146.177%0.77375%0.753SS**  trans72.8116.9169.2-7.80000111.9
503D32.1Very low34Very low154 Ų154148.7 Ų148.782%0.82476%0.757SS**  cis74.7163.341.8-159.117.3000112.5
504E34.5Very low33.9Very low153 Ų153144.3 Ų144.372%0.71575%0.747SS**  trans88.2128.1-179.2-151.257.3-92.700118.1
505S33.3Very low34Very low74 Ų74140.8 Ų140.852%0.51774%0.74SS.*  trans-90.3-172.1-158.865.20000114.4
506L36.2Very low33.8Very low152 Ų152141.5 Ų141.580%0.79675%0.745SS**  trans51.4115.4151.7-67.2166.1000118.4
507R31.4Very low33.8Very low250 Ų250145 Ų14594%0.94375%0.752SS**  -166.7172.899.5-106.4175.7-168.3-152.82.5115.3
508K38Very low33.7Very low147 Ų147140.5 Ų140.564%0.63974%0.741SS**  trans-124.4127.2-171.6175.9179.1172.4-89.70107.8E510K508-E510 HydrophobicContact CG-CG 4.27Å; K508-E510 WeakPolarHBondContact CG-OE1 3.17Å; K508-E510 IonicContact NZ-OE1 2.65Å; K508-E510 PolarHBondContact NZ-OE1 3.01Å; K508-E510 IonicContact NZ-OE2 2.7Å; K508-E510 PolarHBondContact NZ-OE2 2.98Å
509T38.9Very low33.4Very low127 Ų127141.1 Ų141.178%0.77974%0.74SS**  trans-154.1124.2165.820.10000104.8
510E35.6Very low33.4Very low126 Ų126141.9 Ų141.959%0.58975%0.745SS**  cis69.314729.9-47.5-179.7-86.500112.9K508K508-E510 HydrophobicContact CG-CG 4.27Å; K508-E510 WeakPolarHBondContact CG-OE1 3.17Å; K508-E510 IonicContact NZ-OE1 2.65Å; K508-E510 PolarHBondContact NZ-OE1 3.01Å; K508-E510 IonicContact NZ-OE2 2.7Å; K508-E510 PolarHBondContact NZ-OE2 2.98Å
511D33.9Very low33.5Very low145 Ų145147.4 Ų147.478%0.77575%0.75SS**  trans71.198.9-169.5-48.2-22.4000114.2
512D34.6Very low33.6Very low146 Ų146140.9 Ų140.978%0.78174%0.738SS**  65110.577.6-91.2-33.4000115.5
513Y34.2Very low33.4Very low234 Ų234143.1 Ų143.192%0.91874%0.74SS**  trans-141.3130.3139.2-124.1-86.4000110.9
514S34.5Very low33.3Very low94 Ų94140 Ų14066%0.65773%0.73SS**  trans-66.1142.4-176.3-77.30000112
515S33.9Very low32.9Very low93 Ų93141.5 Ų141.565%0.6574%0.735SS**  62.687.756.8174.50000113.8
516T31.8Very low32.6Very low133 Ų133142.7 Ų142.782%0.81674%0.743SS**  trans-12496.9161.1-52.20000111
517F32.6Very low32.3Very low179 Ų179147.4 Ų147.479%0.78575%0.75SS**  trans31.6143.2131-72.9-101.9000119.9
518S31.2Very low32.1Very low92 Ų92140.2 Ų140.264%0.64374%0.739SS**  cis-174.9136.9-3.839.70000108
519S29Very low31.9Very low95 Ų95145.2 Ų145.266%0.66475%0.754SS**  65.7107.670.4-169.30000115.6
520V33.3Very low31.4Very low141 Ų141148.5 Ų148.586%0.85575%0.752SS**  trans-147.399.3159.3-178.70000103
521R32.5Very low31.3Very low215 Ų215148.1 Ų148.181%0.81176%0.763SS**  cis62.6126.237.6-129.5-166.8-176.5-146.41.2110.8
522S31.6Very low31.3Very low82 Ų82149.3 Ų149.357%0.57376%0.761SS**  cis-130-167.719.3-61.40000110
523E28.3Very low31.1Very low173 Ų173146.6 Ų146.681%0.80875%0.754SS**  cis-156.816819.1-153.9129.9-108.500114.4
524S29.1Very low31.3Very low89 Ų89144.5 Ų144.562%0.62275%0.752SS**  trans-86.1165.1-170.9-52.30000113
525F27.7Very low31.4Very low184 Ų184147 Ų14781%0.80775%0.754SS**  174.5149.896.4-91.4-64000115.3
526S26.4Very low31.7Very low100 Ų100148.2 Ų148.270%0.69976%0.762SS**  trans60.3108.1146.6-64.90000122
527R28.8Very low31.9Very low250 Ų250151.5 Ų151.594%0.94376%0.759SS**  28.6112.6119.6-70.8175.6163176.6-5.5117.7
528S27.3Very low32.1Very low100 Ų100154.2 Ų154.270%0.69976%0.764SS**  -161.3109.5120-167.40000111.7
529R34.2Very low32.5Very low252 Ų252157.9 Ų157.995%0.95177%0.771SS**  trans-86.4110.9156.6-78.3-171.3177.2-160.10.2107.1
530R29.8Very low32.9Very low196 Ų196157.5 Ų157.574%0.7477%0.773SS**  trans-112.4107.7160.6-82.7-169.3176.3-175-0.7109.5F532R530-F532 HydrophobicContact CB-CE2 4.13Å
531S32.4Very low33.6Very low117 Ų117156.1 Ų156.182%0.81877%0.77SS**  trans-62.1130.5161.9-46.50000108.7
532F33.7Very low34Very low170 Ų170152 Ų15275%0.74677%0.769SS**  trans-116.599.4159.9-80.3-72.2000108.6R530 Q534R530-F532 HydrophobicContact CB-CE2 4.13Å; F532-Q534 PolarHBondContact O-N 3.44Å
533S31.2Very low34.8Very low90 Ų90159.5 Ų159.563%0.62979%0.785SS**  trans-67.9115.2162.139.50000108.2H535S533-H535 PolarHBondContact O-CE1 2.9Å; S533-H535 PolarHBondContact O-ND1 3.22Å
534Q38.8Very low35.6Very low189 Ų189161.5 Ų161.588%0.88378%0.784SS**  trans-83.8146159.5-71.1-163.9-6.400109.5F532F532-Q534 PolarHBondContact O-N 3.44Å
535H35.4Very low36Very low148 Ų148162.8 Ų162.869%0.68579%0.794SS**  trans-94.6130-152.7-55.3-44.3000112.8S533 R537S533-H535 PolarHBondContact O-CE1 2.9Å; S533-H535 PolarHBondContact O-ND1 3.22Å; H535-R537 PolarHBondContact O-N 3.4Å
536S40.9Very low36.8Very low117 Ų117163.3 Ų163.382%0.81880%0.796SS**  trans-60.4105.5152.8-177.60000108.4
537R35.2Very low38Very low203 Ų203167.9 Ų167.977%0.76680%0.803SS**  trans-115.3103.3161.8-82.3-162.7172.9-157.3-0.2109.4H535 H539H535-R537 PolarHBondContact O-N 3.4Å; R537-H539 PolarHBondContact O-N 3.18Å
538R37.5Very low38.5Very low236 Ų236162.7 Ų162.789%0.89179%0.794SS**PPolyproline II helixtrans-51.1120.4160.5-54.9166.3-173.6151.2-0.4107.7
539H40.1Very low39.4Very low168 Ų168162.4 Ų162.478%0.77880%0.798SS**PPolyproline II helixtrans-102.2126.1155.5-86.4-91.2000107.9R537R537-H539 PolarHBondContact O-N 3.18Å
540A37.7Very low39.8Very low87 Ų87154.2 Ų154.272%0.71978%0.784SS**PPolyproline II helixtrans-74.5155.7-169.600000111.8V542A540-V542 PolarHBondContact O-N 3.47Å; A540-V542 VanDerWaalsContact O-N 3.16Å
541S46.7Very low40.8Very low113 Ų113149.5 Ų149.579%0.7979%0.787SS**PPolyproline II helixtrans-49.3117.5166.51790000111.1
542V41.9Very low41.5Very low128 Ų128153.3 Ų153.378%0.77679%0.792SS**  trans-113.8112.4161176.80000106.4A540 R544A540-V542 PolarHBondContact O-N 3.47Å; A540-V542 VanDerWaalsContact O-N 3.16Å; V542-R544 PolarHBondContact O-N 2.91Å
543R47.4Very low42.2Very low240 Ų240151 Ų15191%0.90679%0.792SS**  trans-60.8120.2-177.4-62.3177.5178.8-171.5-2109.9
544R44.7Very low42.9Very low214 Ų214158.6 Ų158.681%0.80881%0.807SS**  trans-106.9115.7156.2-68.3-173.1-175.6172.12.6107.6V542 F546V542-R544 PolarHBondContact O-N 2.91Å; R544-F546 PolarHBondContact O-N 2.9Å; R544-F546 VanDerWaalsContact O-N 3.09Å
545S39.2Very low43.3Very low117 Ų117155 Ų15582%0.81880%0.8SS**  trans-69.899170.750.40000108.8K547S545-K547 PolarHBondContact O-N 3.02Å
546F43.6Very low43.6Very low195 Ų195155.1 Ų155.186%0.85581%0.806SS**PPolyproline II helixtrans-63.3120160.6-74.7-84.5000107.2R544 D548R544-F546 PolarHBondContact O-N 2.9Å; R544-F546 VanDerWaalsContact O-N 3.09Å; F546-D548 PolarHBondContact O-N 3.33Å
547K51.9Low44.2Very low195 Ų195155.2 Ų155.285%0.84880%0.804SS**PPolyproline II helixtrans-76.5116.4-180-173.9179.6178.6-174.70107.6S545 A549S545-K547 PolarHBondContact O-N 3.02Å; K547-A549 PolarHBondContact O-N 3.26Å
548D39.5Very low45Very low141 Ų141151.5 Ų151.575%0.75481%0.806SS**PPolyproline II helixtrans-53.7131.4172.2-168.4-1.9000109.9F546 A550F546-D548 PolarHBondContact O-N 3.33Å; D548-A550 PolarHBondContact OD1-N 3.04Å
549A45.4Very low44.9Very low95 Ų95143.2 Ų143.279%0.78579%0.793SS**  trans-139.555.4-172.500000108.8K547K547-A549 PolarHBondContact O-N 3.26Å
550A42.3Very low45.4Very low80 Ų80146 Ų14666%0.66180%0.799SS**  trans-58.9156.717600000112.8D548D548-A550 PolarHBondContact OD1-N 3.04Å
551A52.2Low45.5Very low96 Ų96146.2 Ų146.279%0.79380%0.795SS**  trans57.791.1167.700000116.9
552Q45.8Very low45.5Very low198 Ų198152 Ų15293%0.92580%0.8SS**  trans-130.198131.3-131.2170300109.9
553T48.2Very low45.4Very low122 Ų122151.2 Ų151.275%0.74880%0.8SS**PPolyproline II helixtrans-60.8139171.843.70000110.2P555T553-P555 WeakPolarHBondContact O-CD 3.39Å
554W46.3Very low45.9Very low249 Ų249145 Ų14594%0.94380%0.8SS**PPolyproline II helixtrans-57.6127.1164.3-78.479.9000109.6
555P47.1Very low45.9Very low114 Ų114138.1 Ų138.174%0.7480%0.795SS**PPolyproline II helixtrans-77.5135.8161.1-7.926.2000109.2T553T553-P555 WeakPolarHBondContact O-CD 3.39Å
556D41.7Very low46.3Very low150 Ų150141.7 Ų141.780%0.80280%0.801SS**PPolyproline II helixtrans-60.7152.6171.3-85.6-57.5000112.4P558D556-P558 VanDerWaalsContact O-CD 3.29Å; D556-P558 WeakPolarHBondContact O-CD 3.15Å
557P54.1Low46.2Very low119 Ų119136 Ų13677%0.77379%0.79SS**PPolyproline II helixtrans-74.6118.4-171.628.9-35000112.9
558P51.5Low46.3Very low125 Ų125133.3 Ų133.381%0.81279%0.792SS**PPolyproline II helixtrans-85.5130.117733.1-32.2000112.5D556D556-P558 VanDerWaalsContact O-CD 3.29Å; D556-P558 WeakPolarHBondContact O-CD 3.15Å
559G36.6Very low46.7Very low61 Ų61134 Ų13463%0.62980%0.796SS**  trans65.888.2141.100000118.5S561G559-S561 PolarHBondContact O-N 3.11Å; G559-S561 PolarHBondContact O-OG 3.47Å; G559-S561 VanDerWaalsContact O-OG 3.07Å
560Y48.9Very low46.8Very low227 Ų227134.8 Ų134.889%0.8979%0.787SS**  trans-54.5105.6162-155-87.3000110.4
561S39.6Very low47.4Very low91 Ų91136.6 Ų136.664%0.63679%0.791SS**  trans-146.885.3-177.948.50000112.1G559 S563G559-S561 PolarHBondContact O-N 3.11Å; G559-S561 PolarHBondContact O-OG 3.47Å; G559-S561 VanDerWaalsContact O-OG 3.07Å; S561-S563 PolarHBondContact O-N 3.47Å
562W47.2Very low47.5Very low236 Ų236139.9 Ų139.989%0.89479%0.792SS**  trans-75.577.1169.3-82.151.2000110.1A564W562-A564 PolarHBondContact O-N 2.87Å
563S39.9Very low47.9Very low111 Ų111135.4 Ų135.478%0.77678%0.778SS**  trans-69.393.9175.4-690000111.1S561 G565S561-S563 PolarHBondContact O-N 3.47Å; S563-G565 PolarHBondContact O-N 2.91Å; S563-G565 VanDerWaalsContact O-N 3.12Å
564A57.5Low48Very low110 Ų110131.8 Ų131.891%0.90977%0.765SS**  trans-63.4108.6168.300000109.8W562W562-A564 PolarHBondContact O-N 2.87Å
565G45.6Very low48.2Very low68 Ų68130.6 Ų130.670%0.70176%0.761SS**  trans-162.992.7-17200000113.3S563S563-G565 PolarHBondContact O-N 2.91Å; S563-G565 VanDerWaalsContact O-N 3.12Å
566M47.2Very low48.7Very low192 Ų192131.9 Ų131.995%0.94676%0.76SS**  trans-25.7123.8176.4-64.6161.156.300117.8
567A41.9Very low49.1Very low75 Ų75135 Ų13562%0.6276%0.762SS**  trans-147.7115.9150.400000110.2L569A567-L569 VanDerWaalsContact C-N 3.31Å; A567-L569 PolarHBondContact O-N 3.25Å
568P53.2Low48.9Very low139 Ų139136.3 Ų136.390%0.90376%0.759SS**  trans-80.976179.233.3-34.4000110.8
569L48.3Very low48.7Very low157 Ų157132.9 Ų132.982%0.82275%0.747SS**  trans-79.5138.8174.4-88.1156.6000111.6A567A567-L569 VanDerWaalsContact C-N 3.31Å; A567-L569 PolarHBondContact O-N 3.25Å
570D48.3Very low49.6Very low111 Ų111136.2 Ų136.259%0.59476%0.757SS**  trans-54.1123.9-171.4-175.5-14000113M572D570-M572 PolarHBondContact O-N 3.15Å; D570-M572 PolarHBondContact OD1-N 3.46Å; D570-M572 VanDerWaalsContact OD1-N 3.08Å
571P53.8Low49.5Very low117 Ų117130.9 Ų130.976%0.7675%0.749SS**THydrogen-bonded Turntrans-57.8-14.5-179.5-26.435.2000116.3
572M55.3Low49.9Very low166 Ų166134.8 Ų134.882%0.81876%0.761SS**THydrogen-bonded Turntrans-83.2-27.3-167.8-150.7169.5-166.500115.1D570D570-M572 PolarHBondContact O-N 3.15Å; D570-M572 PolarHBondContact OD1-N 3.46Å; D570-M572 VanDerWaalsContact OD1-N 3.08Å
573V54Low50Low104 Ų104129 Ų12963%0.6375%0.751SS**THydrogen-bonded Turntrans-96.2-26.4-172.1-174.50000113.4R575 I576V573-R575 PolarHBondContact O-N 3.45Å; V573-R575 VanDerWaalsContact O-N 3.09Å; V573-I576 WeakPolarHBondContact O-CG1 3.22Å
574G50.8Low50.3Low46 Ų46126.8 Ų126.847%0.47474%0.74SS.*G310 helixtrans-65.9-13.7-174.500000116.2I576 M578G574-I576 PolarHBondContact O-N 3.05Å; G574-M578 WeakPolarHBondContact O-CG 3.5Å
575R50.1Low50.2Low224 Ų224126.7 Ų126.785%0.84573%0.73SS**G310 helixtrans-78-9.3-171.4-78.9-170171.8-135.1-1.4116.3V573V573-R575 PolarHBondContact O-N 3.45Å; V573-R575 VanDerWaalsContact O-N 3.09Å
576I57.5Low50.7Low141 Ų141132.2 Ų132.272%0.72374%0.737SS**G310 helixtrans-98.5-8-178.345.5171.3000114.7V573 G574V573-I576 WeakPolarHBondContact O-CG1 3.22Å; G574-I576 PolarHBondContact O-N 3.05Å
577Y50.3Low51Low216 Ų216126.6 Ų126.685%0.84772%0.722SS**THydrogen-bonded Turntrans-129.43.2177.5-98.2-87000114.8G579Y577-G579 PolarHBondContact O-N 3.08Å
578M49.2Very low51.9Low146 Ų146129.6 Ų129.672%0.71972%0.721SS**SBendtrans-73.6120.2159.4-71-68.999.100108.6G574G574-M578 WeakPolarHBondContact O-CG 3.5Å
579G48.3Very low53Low53 Ų53125.8 Ų125.855%0.54670%0.698SS.*  trans-58.4164.9171.700000111.8Y577 T581Y577-G579 PolarHBondContact O-N 3.08Å; G579-T581 PolarHBondContact O-N 2.99Å
580P55Low54.4Low130 Ų130121.9 Ų121.984%0.84469%0.688SS**SBendtrans-54.4110.3-173.723-34.1000110.6L582P580-L582 PolarHBondContact O-N 3.47Å
581T46.8Very low55.7Low116 Ų116122.4 Ų122.471%0.71269%0.691SS**  trans-52128.9-174.4-510000109.9G579 V583G579-T581 PolarHBondContact O-N 2.99Å; T581-V583 HydrophobicContact CG2-CG2 4.21Å; T581-V583 PolarHBondContact O-N 3Å
582L48.8Very low56.7Low172 Ų172123.2 Ų123.290%0.90168%0.679SS**  trans-71.969.3177-71.4169.3000110.7P580 A584P580-L582 PolarHBondContact O-N 3.47Å; L582-A584 PolarHBondContact O-N 3.18Å
583V47.5Very low57.5Low114 Ų114120 Ų12069%0.69166%0.664SS**  trans-67.1112.1173.71780000108.4T581T581-V583 HydrophobicContact CG2-CG2 4.21Å; T581-V583 PolarHBondContact O-N 3Å
584A48Very low58.6Low65 Ų65120.6 Ų120.654%0.53766%0.66SS.*  trans42.6103.7165.200000116.5L582 H586L582-A584 PolarHBondContact O-N 3.18Å; A584-H586 PolarHBondContact O-N 3.3Å
585P55.5Low59.8Low109 Ų109121.1 Ų121.171%0.70866%0.66SS**THydrogen-bonded Turntrans-69.28.8-17329.8-37.2000116.3
586H56.2Low60.8Low183 Ų183114.6 Ų114.685%0.84765%0.645SS**THydrogen-bonded Turntrans-127.621.9-167.1-76-0.3000115.4A584A584-H586 PolarHBondContact O-N 3.3Å
587A51.5Low61.8Low75 Ų75109.5 Ų109.562%0.6262%0.622SS**  trans-136.186.116800000111.8S589A587-S589 PolarHBondContact O-N 3.22Å; A587-S589 VanDerWaalsContact O-N 3.15Å
588F62Low63.2Low138 Ų138105.7 Ų105.761%0.60561%0.614SS**  trans-75.694163.7-69.7-88.9000108.6
589S76.2Confident64.9Low58 Ų58106 Ų10641%0.40662%0.617SS.*  trans-62.5151.5170.958.80000110.8A587 D591 R592 L593A587-S589 PolarHBondContact O-N 3.22Å; A587-S589 VanDerWaalsContact O-N 3.15Å; S589-D591 PolarHBondContact O-N 3.39Å; S589-R592 WeakPolarHBondContact O-CB 3.48Å; S589-R592 PolarHBondContact O-N 2.91Å; S589-R592 PolarHBondContact OG-N 3.06Å; S589-L593 PolarHBondContact O-N 2.85Å
590A77.1Confident66.9Low75 Ų75107.5 Ų107.562%0.6261%0.613SS**Hα-helixtrans-54.3-43.6175.700000111.1R592 L593 E594A590-R592 PolarHBondContact O-N 3.45Å; A590-L593 CarbonylContact O-C 3.54Å; A590-L593 WeakPolarHBondContact O-CA 3.38Å; A590-L593 WeakPolarHBondContact O-CB 3.42Å; A590-L593 PolarHBondContact O-N 2.99Å; A590-E594 PolarHBondContact O-N 3.09Å
591D76.3Confident68.5Low122 Ų122105.3 Ų105.365%0.65260%0.598SS**Hα-helixtrans-53.5-35.9176.1-40.84000112.6S589 A595S589-D591 PolarHBondContact O-N 3.39Å; D591-A595 WeakPolarHBondContact O-CB 3.46Å; D591-A595 PolarHBondContact O-N 2.96Å
592R74.3Confident70.7Confident134 Ų134103.1 Ų103.151%0.50659%0.592SS.*Hα-helixtrans-77.1-34.8177.9-172177.1-179.7-1750.5111.9S589 A590 V596S589-R592 WeakPolarHBondContact O-CB 3.48Å; S589-R592 PolarHBondContact O-N 2.91Å; S589-R592 PolarHBondContact OG-N 3.06Å; A590-R592 PolarHBondContact O-N 3.45Å; R592-V596 WeakPolarHBondContact O-CG2 3.47Å; R592-V596 PolarHBondContact O-N 2.97Å
593L71.4Confident72.6Confident98 Ų9896.3 Ų96.351%0.51356%0.563SS.*Hα-helixtrans-68.7-37.7172.1-71.3170.7000111.1S589 A590 V596 S597S589-L593 PolarHBondContact O-N 2.85Å; A590-L593 CarbonylContact O-C 3.54Å; A590-L593 WeakPolarHBondContact O-CA 3.38Å; A590-L593 WeakPolarHBondContact O-CB 3.42Å; A590-L593 PolarHBondContact O-N 2.99Å; L593-V596 PolarHBondContact O-N 3Å; L593-S597 WeakPolarHBondContact O-CB 3.46Å; L593-S597 PolarHBondContact O-N 3.48Å
594E78Confident74.6Confident117 Ų11795.2 Ų95.255%0.54755%0.549SS..Hα-helixtrans-62.5-47.5172.5-159.6-173.6156.700110.7A590 V596 S597 M598A590-E594 PolarHBondContact O-N 3.09Å; E594-V596 VanDerWaalsContact C-N 3.3Å; E594-V596 PolarHBondContact O-N 3.43Å; E594-S597 WeakPolarHBondContact O-CB 3.47Å; E594-S597 PolarHBondContact O-N 3.19Å; E594-S597 VanDerWaalsContact O-N 3.12Å; E594-M598 HydrophobicContact CG-CE 3.85Å; E594-M598 WeakPolarHBondContact O-CG 3.32Å; E594-M598 PolarHBondContact O-N 2.95Å; E594-M598 WeakPolarHBondContact OE1-CE 3.33Å
595A77Confident76.7Confident58 Ų5894.9 Ų94.948%0.47955%0.547SS..Hα-helixtrans-60.6-34.2176.600000113.8D591 L599D591-A595 WeakPolarHBondContact O-CB 3.46Å; D591-A595 PolarHBondContact O-N 2.96Å; A595-L599 PolarHBondContact O-N 3.43Å
596V70.6Confident78.6Confident87 Ų8794.2 Ų94.253%0.52754%0.537SS..Hα-helixtrans-74.1-39.3173.3171.20000111.3R592 L593 E594 M598 L599 D600R592-V596 WeakPolarHBondContact O-CG2 3.47Å; R592-V596 PolarHBondContact O-N 2.97Å; L593-V596 PolarHBondContact O-N 3Å; E594-V596 VanDerWaalsContact C-N 3.3Å; E594-V596 PolarHBondContact O-N 3.43Å; V596-M598 VanDerWaalsContact C-N 3.3Å; V596-M598 PolarHBondContact O-N 3.44Å; V596-L599 PolarHBondContact O-N 3.43Å; V596-D600 PolarHBondContact O-N 2.9Å
597S77.2Confident80.5Confident33 Ų3389.3 Ų89.323%0.23152%0.517CS..Hα-helixtrans-63.7-33.1175.2-169.90000112.4L593 E594 L599 D600 P601 F604L593-S597 WeakPolarHBondContact O-CB 3.46Å; L593-S597 PolarHBondContact O-N 3.48Å; E594-S597 WeakPolarHBondContact O-CB 3.47Å; E594-S597 PolarHBondContact O-N 3.19Å; E594-S597 VanDerWaalsContact O-N 3.12Å; S597-L599 VanDerWaalsContact C-N 3.32Å; S597-D600 CarbonylContact O-C 3.6Å; S597-P601 WeakPolarHBondContact O-CA 3.4Å; S597-F604 WeakPolarHBondContact OG-CD1 3.48Å
598M81.4Confident82.5Confident137 Ų13788.7 Ų88.768%0.67550%0.501SS*.Hα-helixtrans-69.6-26.3170.3-66.8-169-159.700113.5E594 V596E594-M598 HydrophobicContact CG-CE 3.85Å; E594-M598 WeakPolarHBondContact O-CG 3.32Å; E594-M598 PolarHBondContact O-N 2.95Å; E594-M598 WeakPolarHBondContact OE1-CE 3.33Å; V596-M598 VanDerWaalsContact C-N 3.3Å; V596-M598 PolarHBondContact O-N 3.44Å
599L83.6Confident84.3Confident152 Ų15287.1 Ų87.180%0.79650%0.497SS*.Hα-helixtrans-87.5-37.3-176.5-166.769.4000112.5A595 V596 S597A595-L599 PolarHBondContact O-N 3.43Å; V596-L599 PolarHBondContact O-N 3.43Å; S597-L599 VanDerWaalsContact C-N 3.32Å
600D90.4Very high85.3Confident85 Ų8588.6 Ų88.646%0.45550%0.5SS..  trans-135.482.1169.7-176.312000111.8V596 S597 A602 G603 F604V596-D600 PolarHBondContact O-N 2.9Å; S597-D600 CarbonylContact O-C 3.6Å; D600-A602 PolarHBondContact O-N 3.44Å; D600-A602 PolarHBondContact OD1-N 3.42Å; D600-A602 VanDerWaalsContact OD1-N 3.1Å; D600-G603 VanDerWaalsContact CG-N 3.29Å; D600-G603 PolarHBondContact OD1-N 3.09Å; D600-G603 VanDerWaalsContact OD2-CA 3.3Å; D600-G603 WeakPolarHBondContact OD2-CA 3.49Å; D600-G603 PolarHBondContact OD2-N 3.08Å; D600-F604 WeakPolarHBondContact O-CB 3.42Å; D600-F604 PolarHBondContact O-N 3.25Å; D600-F604 VanDerWaalsContact O-N 3.12Å
601P88.6Confident86.3Confident83 Ų8389.8 Ų89.854%0.53949%0.491SS..Hα-helixtrans-68.8-20.1175.627.9-34.9000112.8S597 A605S597-P601 WeakPolarHBondContact O-CA 3.4Å; P601-A605 VanDerWaalsContact O-CB 3.24Å; P601-A605 WeakPolarHBondContact O-CB 3.35Å; P601-A605 PolarHBondContact O-N 2.69Å
602A92.6Very high87.3Confident71 Ų7189.6 Ų89.659%0.58749%0.486SS*.Hα-helixtrans-79.7-48.2-178.800000111.2D600 F604 A605 L606D600-A602 PolarHBondContact O-N 3.44Å; D600-A602 PolarHBondContact OD1-N 3.42Å; D600-A602 VanDerWaalsContact OD1-N 3.1Å; A602-F604 VanDerWaalsContact C-N 3.32Å; A602-F604 PolarHBondContact O-N 3.11Å; A602-A605 PolarHBondContact O-N 2.94Å; A602-L606 WeakPolarHBondContact O-CB 3.48Å; A602-L606 PolarHBondContact O-N 3.29Å
603G89.7Confident88.4Confident28 Ų2888.7 Ų88.729%0.28949%0.488SS..Hα-helixtrans-62.9-36.9171.800000112.4D600 N607D600-G603 VanDerWaalsContact CG-N 3.29Å; D600-G603 PolarHBondContact OD1-N 3.09Å; D600-G603 VanDerWaalsContact OD2-CA 3.3Å; D600-G603 WeakPolarHBondContact OD2-CA 3.49Å; D600-G603 PolarHBondContact OD2-N 3.08Å; G603-N607 VanDerWaalsContact O-CB 3.3Å; G603-N607 WeakPolarHBondContact O-CB 3.46Å; G603-N607 PolarHBondContact O-N 3.34Å
604F89.1Confident89.7Confident91 Ų9189.3 Ų89.340%0.39949%0.491SS..Hα-helixtrans-63.4-48.7172.5-175.8-95.5000112.2S597 D600 A602 L606 N607 E608S597-F604 WeakPolarHBondContact OG-CD1 3.48Å; D600-F604 WeakPolarHBondContact O-CB 3.42Å; D600-F604 PolarHBondContact O-N 3.25Å; D600-F604 VanDerWaalsContact O-N 3.12Å; A602-F604 VanDerWaalsContact C-N 3.32Å; A602-F604 PolarHBondContact O-N 3.11Å; F604-L606 VanDerWaalsContact C-N 3.34Å; F604-L606 PolarHBondContact O-N 2.89Å; F604-N607 WeakPolarHBondContact O-CB 3.49Å; F604-N607 PolarHBondContact O-N 2.93Å; F604-E608 HydrophobicContact CD1-CG 4.41Å; F604-E608 HydrophobicContact CE1-CG 3.85Å; F604-E608 HydrophobicContact CE2-CG 4.43Å; F604-E608 HydrophobicContact CZ-CG 3.85Å; F604-E608 PolarHBondContact O-N 2.83Å
605A92.9Very high90.7Very high59 Ų5986 Ų8649%0.48848%0.483SS..Hα-helixtrans-62-40.1177.600000112.5P601 A602 E608 M609P601-A605 VanDerWaalsContact O-CB 3.24Å; P601-A605 WeakPolarHBondContact O-CB 3.35Å; P601-A605 PolarHBondContact O-N 2.69Å; A602-A605 PolarHBondContact O-N 2.94Å; A605-E608 PolarHBondContact O-N 3.31Å; A605-M609 WeakPolarHBondContact O-CB 3.3Å; A605-M609 PolarHBondContact O-N 3.36Å
606L95.4Very high91.7Very high95 Ų9588.1 Ų88.150%0.49749%0.486SS..Hα-helixtrans-62.8-41.5174.2-178.664.1000111.7A602 F604 M609 L610A602-L606 WeakPolarHBondContact O-CB 3.48Å; A602-L606 PolarHBondContact O-N 3.29Å; F604-L606 VanDerWaalsContact C-N 3.34Å; F604-L606 PolarHBondContact O-N 2.89Å; L606-M609 HydrophobicContact CD1-CE 3.87Å; L606-M609 PolarHBondContact O-N 3.23Å; L606-L610 HydrophobicContact CD1-CD1 4.36Å; L606-L610 HydrophobicContact CD1-CG 4.49Å; L606-L610 HydrophobicContact CG-CD1 4.14Å; L606-L610 WeakPolarHBondContact O-CB 3.27Å; L606-L610 VanDerWaalsContact O-CG 3.27Å; L606-L610 WeakPolarHBondContact O-CG 3.26Å; L606-L610 PolarHBondContact O-N 2.76Å
607N95.4Very high93Very high79 Ų7987 Ų8742%0.42248%0.479SS..Hα-helixtrans-64.8-43.9178.5-168.2-94.4000112.1G603 F604 L610 K611G603-N607 VanDerWaalsContact O-CB 3.3Å; G603-N607 WeakPolarHBondContact O-CB 3.46Å; G603-N607 PolarHBondContact O-N 3.34Å; F604-N607 WeakPolarHBondContact O-CB 3.49Å; F604-N607 PolarHBondContact O-N 2.93Å; N607-L610 PolarHBondContact O-N 3.45Å; N607-K611 WeakPolarHBondContact O-CD 3.42Å; N607-K611 WeakPolarHBondContact O-CG 3.18Å; N607-K611 PolarHBondContact O-N 2.98Å; N607-K611 WeakPolarHBondContact OD1-CE 3.32Å; N607-K611 PolarHBondContact OD1-NZ 3.31Å
608E94.3Very high94Very high63 Ų6391.9 Ų91.929%0.29450%0.496SS..Hα-helixtrans-67-40.4174.5-72.2-58.4127.700112.4F604 A605 L610 K611 Q612F604-E608 HydrophobicContact CD1-CG 4.41Å; F604-E608 HydrophobicContact CE1-CG 3.85Å; F604-E608 HydrophobicContact CE2-CG 4.43Å; F604-E608 HydrophobicContact CZ-CG 3.85Å; F604-E608 PolarHBondContact O-N 2.83Å; A605-E608 PolarHBondContact O-N 3.31Å; E608-L610 VanDerWaalsContact C-N 3.33Å; E608-L610 PolarHBondContact O-N 3.45Å; E608-K611 WeakPolarHBondContact O-CB 3.32Å; E608-K611 PolarHBondContact O-N 2.98Å; E608-K611 VanDerWaalsContact OE1-CD 3.22Å; E608-K611 WeakPolarHBondContact OE1-CD 3.35Å; E608-K611 WeakPolarHBondContact OE1-CE 3.36Å; E608-K611 IonicContact OE1-NZ 2.65Å; E608-K611 PolarHBondContact OE1-NZ 2.88Å; E608-Q612 WeakPolarHBondContact O-CB 3.37Å; E608-Q612 VanDerWaalsContact O-CG 3.26Å; E608-Q612 WeakPolarHBondContact O-CG 3.44Å; E608-Q612 PolarHBondContact O-N 3.37Å
609M97.8Very high94.8Very high105 Ų10589.3 Ų89.352%0.51748%0.482SS..Hα-helixtrans-60.2-42.3173.9-172.3-161.779.500111.8A605 L606 Q612 Q613A605-M609 WeakPolarHBondContact O-CB 3.3Å; A605-M609 PolarHBondContact O-N 3.36Å; L606-M609 HydrophobicContact CD1-CE 3.87Å; L606-M609 PolarHBondContact O-N 3.23Å; M609-Q612 PolarHBondContact O-N 3.01Å; M609-Q613 WeakPolarHBondContact O-CB 3.39Å; M609-Q613 PolarHBondContact O-N 3.42Å
610L97.9Very high95.6Very high89 Ų8989 Ų8947%0.46648%0.475SS..Hα-helixtrans-66.6-39.4176.4-72.1168.7000112.2L606 N607 E608 Q613 L614L606-L610 HydrophobicContact CD1-CD1 4.36Å; L606-L610 HydrophobicContact CD1-CG 4.49Å; L606-L610 HydrophobicContact CG-CD1 4.14Å; L606-L610 WeakPolarHBondContact O-CB 3.27Å; L606-L610 VanDerWaalsContact O-CG 3.27Å; L606-L610 WeakPolarHBondContact O-CG 3.26Å; L606-L610 PolarHBondContact O-N 2.76Å; N607-L610 PolarHBondContact O-N 3.45Å; E608-L610 VanDerWaalsContact C-N 3.33Å; E608-L610 PolarHBondContact O-N 3.45Å; L610-Q613 PolarHBondContact O-N 3.25Å; L610-L614 WeakPolarHBondContact O-CB 3.4Å; L610-L614 VanDerWaalsContact O-CG 3.3Å; L610-L614 WeakPolarHBondContact O-CG 3.47Å; L610-L614 PolarHBondContact O-N 3.04Å
611K97.5Very high95.9Very high100 Ų10088.6 Ų88.644%0.43547%0.472SS..Hα-helixtrans-61-44.4171.4-75.7158.2167.1160.30112N607 E608 L614 A615N607-K611 WeakPolarHBondContact O-CD 3.42Å; N607-K611 WeakPolarHBondContact O-CG 3.18Å; N607-K611 PolarHBondContact O-N 2.98Å; N607-K611 WeakPolarHBondContact OD1-CE 3.32Å; N607-K611 PolarHBondContact OD1-NZ 3.31Å; E608-K611 WeakPolarHBondContact O-CB 3.32Å; E608-K611 PolarHBondContact O-N 2.98Å; E608-K611 VanDerWaalsContact OE1-CD 3.22Å; E608-K611 WeakPolarHBondContact OE1-CD 3.35Å; E608-K611 WeakPolarHBondContact OE1-CE 3.36Å; E608-K611 IonicContact OE1-NZ 2.65Å; E608-K611 PolarHBondContact OE1-NZ 2.88Å; K611-L614 PolarHBondContact O-N 2.87Å; K611-A615 WeakPolarHBondContact O-CB 3.37Å; K611-A615 PolarHBondContact O-N 3.12Å
612Q98.2Very high96.4Very high118 Ų11889.9 Ų89.955%0.55147%0.471SS*.Hα-helixtrans-62.6-45.6177.3-72.5170.310.300111.1E608 M609 L614 A615 I616E608-Q612 WeakPolarHBondContact O-CB 3.37Å; E608-Q612 VanDerWaalsContact O-CG 3.26Å; E608-Q612 WeakPolarHBondContact O-CG 3.44Å; E608-Q612 PolarHBondContact O-N 3.37Å; M609-Q612 PolarHBondContact O-N 3.01Å; Q612-L614 PolarHBondContact O-N 3.37Å; Q612-A615 PolarHBondContact O-N 3.12Å; Q612-I616 VanDerWaalsContact O-CG1 3.32Å; Q612-I616 WeakPolarHBondContact O-CG1 3.43Å; Q612-I616 PolarHBondContact O-N 2.83Å
613Q98.1Very high96.7Very high115 Ų11593.8 Ų93.854%0.53747%0.47SS..Hα-helixtrans-59.3-47175.8-171.466.28.600111.5M609 L610 A615 I616 T617M609-Q613 WeakPolarHBondContact O-CB 3.39Å; M609-Q613 PolarHBondContact O-N 3.42Å; L610-Q613 PolarHBondContact O-N 3.25Å; Q613-A615 VanDerWaalsContact C-N 3.32Å; Q613-A615 PolarHBondContact O-N 3.49Å; Q613-I616 PolarHBondContact O-N 3.1Å; Q613-T617 PolarHBondContact O-N 2.97Å; Q613-T617 PolarHBondContact O-OG1 2.91Å; Q613-T617 VanDerWaalsContact O-OG1 3.11Å
614L98.5Very high97.1Very high110 Ų11095.1 Ų95.158%0.57648%0.475SS*.Hα-helixtrans-61.8-36.9175.9-72.6168.6000112.7L610 K611 Q612 K618L610-L614 WeakPolarHBondContact O-CB 3.4Å; L610-L614 VanDerWaalsContact O-CG 3.3Å; L610-L614 WeakPolarHBondContact O-CG 3.47Å; L610-L614 PolarHBondContact O-N 3.04Å; K611-L614 PolarHBondContact O-N 2.87Å; Q612-L614 PolarHBondContact O-N 3.37Å; L614-K618 WeakPolarHBondContact O-CG 3.38Å; L614-K618 PolarHBondContact O-N 3.14Å
615A98.3Very high97.5Very high47 Ų4796.7 Ų96.739%0.38848%0.484SS..Hα-helixtrans-68-39.1175.200000112.2K611 Q612 Q613 K618 Q619K611-A615 WeakPolarHBondContact O-CB 3.37Å; K611-A615 PolarHBondContact O-N 3.12Å; Q612-A615 PolarHBondContact O-N 3.12Å; Q613-A615 VanDerWaalsContact C-N 3.32Å; Q613-A615 PolarHBondContact O-N 3.49Å; A615-K618 PolarHBondContact O-N 3.3Å; A615-Q619 WeakPolarHBondContact O-CG 3.47Å; A615-Q619 PolarHBondContact O-N 2.86Å
616I98.2Very high97.8Very high103 Ų103100 Ų10053%0.52849%0.489SS..Hα-helixtrans-64.4-45174.2-68.3163.7000110.3Q612 Q613 K618 Q619 F620Q612-I616 VanDerWaalsContact O-CG1 3.32Å; Q612-I616 WeakPolarHBondContact O-CG1 3.43Å; Q612-I616 PolarHBondContact O-N 2.83Å; Q613-I616 PolarHBondContact O-N 3.1Å; I616-K618 PolarHBondContact O-N 3.34Å; I616-Q619 PolarHBondContact O-N 3.01Å; I616-F620 PolarHBondContact O-N 2.98Å
617T98.5Very high97.9Very high63 Ų63101 Ų10139%0.38750%0.495SS..Hα-helixtrans-60.9-42.8176.1-57.50000112Q613 F620 I621Q613-T617 PolarHBondContact O-N 2.97Å; Q613-T617 PolarHBondContact O-OG1 2.91Å; Q613-T617 VanDerWaalsContact O-OG1 3.11Å; T617-F620 WeakPolarHBondContact O-CB 3.33Å; T617-F620 PolarHBondContact O-N 3.15Å; T617-I621 HydrophobicContact CG2-CD1 4.17Å; T617-I621 WeakPolarHBondContact O-CG1 3.24Å; T617-I621 PolarHBondContact O-N 3.35Å
618K98.3Very high98Very high136 Ų136103 Ų10359%0.59150%0.501SS*.Hα-helixtrans-60.4-50.6174.5-75.9-178.7177.7-168.70112.1L614 A615 I616 F620 I621 E622L614-K618 WeakPolarHBondContact O-CG 3.38Å; L614-K618 PolarHBondContact O-N 3.14Å; A615-K618 PolarHBondContact O-N 3.3Å; I616-K618 PolarHBondContact O-N 3.34Å; K618-F620 PolarHBondContact O-N 3.03Å; K618-I621 PolarHBondContact O-N 3.4Å; K618-I621 VanDerWaalsContact O-N 3.1Å; K618-E622 VanDerWaalsContact O-CG 3.29Å; K618-E622 WeakPolarHBondContact O-CG 3.22Å; K618-E622 PolarHBondContact O-N 2.82Å
619Q98.4Very high98.2Very high83 Ų83102.5 Ų102.539%0.38851%0.508SS..Hα-helixtrans-62.7-26.9177-70.2-175.41900113.6A615 I616 R623A615-Q619 WeakPolarHBondContact O-CG 3.47Å; A615-Q619 PolarHBondContact O-N 2.86Å; I616-Q619 PolarHBondContact O-N 3.01Å; Q619-R623 WeakPolarHBondContact O-CB 3.21Å; Q619-R623 WeakPolarHBondContact O-CD 3.29Å; Q619-R623 WeakPolarHBondContact O-CG 3.33Å; Q619-R623 PolarHBondContact O-N 2.97Å; Q619-R623 VanDerWaalsContact O-N 3.15Å
620F98.5Very high98.1Very high145 Ų145100.1 Ų100.164%0.63650%0.501SS*.Hα-helixtrans-68.9-47.3172.4175-95.8000111.1I616 T617 K618 R623 S624I616-F620 PolarHBondContact O-N 2.98Å; T617-F620 WeakPolarHBondContact O-CB 3.33Å; T617-F620 PolarHBondContact O-N 3.15Å; K618-F620 PolarHBondContact O-N 3.03Å; F620-R623 PolarHBondContact O-N 3.22Å; F620-S624 PolarHBondContact O-N 3.27Å
621I98.5Very high98.1Very high77 Ų77100.1 Ų100.140%0.39550%0.501SS..Hα-helixtrans-60.3-52.9176.7-64.9164.5000110T617 K618 R623 S624 E625T617-I621 HydrophobicContact CG2-CD1 4.17Å; T617-I621 WeakPolarHBondContact O-CG1 3.24Å; T617-I621 PolarHBondContact O-N 3.35Å; K618-I621 PolarHBondContact O-N 3.4Å; K618-I621 VanDerWaalsContact O-N 3.1Å; I621-R623 VanDerWaalsContact C-N 3.27Å; I621-R623 PolarHBondContact O-N 2.93Å; I621-S624 WeakPolarHBondContact O-CA 3.3Å; I621-S624 PolarHBondContact O-N 3.06Å; I621-S624 PolarHBondContact O-OG 3.46Å; I621-E625 HydrophobicContact CG2-CG 4.35Å; I621-E625 PolarHBondContact O-N 3.03Å
622E98.5Very high98Very high111 Ų111100 Ų10052%0.51950%0.503SS..Hα-helixtrans-53.1-41.1177.6-69.3161.1-160.800112.5K618 H626K618-E622 VanDerWaalsContact O-CG 3.29Å; K618-E622 WeakPolarHBondContact O-CG 3.22Å; K618-E622 PolarHBondContact O-N 2.82Å; E622-H626 VanDerWaalsContact O-CB 3.28Å; E622-H626 WeakPolarHBondContact O-CB 3.38Å; E622-H626 PolarHBondContact O-N 3.17Å
623R98.3Very high97.8Very high152 Ų152101 Ų10157%0.57451%0.508SS*.Hα-helixtrans-71.6-35176-74.9172.5-171.1124.610.3112.7Q619 F620 I621 L627Q619-R623 WeakPolarHBondContact O-CB 3.21Å; Q619-R623 WeakPolarHBondContact O-CD 3.29Å; Q619-R623 WeakPolarHBondContact O-CG 3.33Å; Q619-R623 PolarHBondContact O-N 2.97Å; Q619-R623 VanDerWaalsContact O-N 3.15Å; F620-R623 PolarHBondContact O-N 3.22Å; I621-R623 VanDerWaalsContact C-N 3.27Å; I621-R623 PolarHBondContact O-N 2.93Å; R623-L627 VanDerWaalsContact O-CB 3.32Å; R623-L627 WeakPolarHBondContact O-CB 3.42Å; R623-L627 PolarHBondContact O-N 3.49Å
624S98.3Very high97.6Very high56 Ų56100.2 Ų100.239%0.39252%0.515SS..Hα-helixtrans-69.7-41.117773.40000111.9F620 I621 L627 H628F620-S624 PolarHBondContact O-N 3.27Å; I621-S624 WeakPolarHBondContact O-CA 3.3Å; I621-S624 PolarHBondContact O-N 3.06Å; I621-S624 PolarHBondContact O-OG 3.46Å; S624-L627 PolarHBondContact O-N 3.5Å; S624-H628 WeakPolarHBondContact O-CB 3.43Å; S624-H628 PolarHBondContact O-N 2.95Å
625E98.1Very high97.3Very high125 Ų125100.7 Ų100.758%0.58452%0.517SS*.Hα-helixtrans-64.5-44173.1-69.3176.9169.600111.1I621 L627 H628 A629I621-E625 HydrophobicContact CG2-CG 4.35Å; I621-E625 PolarHBondContact O-N 3.03Å; E625-L627 PolarHBondContact O-N 3.34Å; E625-H628 PolarHBondContact O-N 3.25Å; E625-A629 WeakPolarHBondContact O-CB 3.42Å; E625-A629 PolarHBondContact O-N 3.31Å
626H98.3Very high96.9Very high127 Ų127103.9 Ų103.959%0.58852%0.524SS*.Hα-helixtrans-63.1-41.5175.8-178.555.6000112.5E622 A629 C630E622-H626 VanDerWaalsContact O-CB 3.28Å; E622-H626 WeakPolarHBondContact O-CB 3.38Å; E622-H626 PolarHBondContact O-N 3.17Å; H626-A629 PolarHBondContact O-N 3.21Å; H626-C630 VanDerWaalsContact CE1-SG 3.54Å; H626-C630 WeakPolarHBondContact O-CB 3.46Å; H626-C630 PolarHBondContact O-N 3.07Å; H626-C630 PolarHBondContact O-SG 3.38Å
627L98.3Very high96.1Very high118 Ų118103.9 Ų103.962%0.61853%0.531SS*.Hα-helixtrans-63.7-43.7174.6-175.3152.4000111.5R623 S624 E625 C630 L631R623-L627 VanDerWaalsContact O-CB 3.32Å; R623-L627 WeakPolarHBondContact O-CB 3.42Å; R623-L627 PolarHBondContact O-N 3.49Å; S624-L627 PolarHBondContact O-N 3.5Å; E625-L627 PolarHBondContact O-N 3.34Å; L627-C630 PolarHBondContact O-N 3.23Å; L627-L631 WeakPolarHBondContact O-CB 3.44Å; L627-L631 PolarHBondContact O-N 2.96Å
628H97.9Very high95.1Very high119 Ų119104.2 Ų104.255%0.55153%0.534SS*.Hα-helixtrans-60.8-44.7174.6-178.1-100.5000111.4S624 E625 C630 L631 M632S624-H628 WeakPolarHBondContact O-CB 3.43Å; S624-H628 PolarHBondContact O-N 2.95Å; E625-H628 PolarHBondContact O-N 3.25Å; H628-C630 PolarHBondContact O-N 2.88Å; H628-L631 PolarHBondContact O-N 2.9Å; H628-M632 WeakPolarHBondContact O-CB 3.44Å; H628-M632 WeakPolarHBondContact O-CG 3.46Å; H628-M632 PolarHBondContact O-N 3.49Å
629A97.4Very high94Very high54 Ų54105 Ų10545%0.44655%0.545SS..Hα-helixtrans-62-40.2175.800000112.5E625 H626 M632 Q633E625-A629 WeakPolarHBondContact O-CB 3.42Å; E625-A629 PolarHBondContact O-N 3.31Å; H626-A629 PolarHBondContact O-N 3.21Å; A629-M632 PolarHBondContact O-N 3.09Å; A629-Q633 VanDerWaalsContact O-CB 3.28Å; A629-Q633 WeakPolarHBondContact O-CB 3.45Å; A629-Q633 PolarHBondContact O-N 3.08Å
630C97Very high92.7Very high55 Ų55109.2 Ų109.237%0.37256%0.558SS.*Hα-helixtrans-67.7-37.3175.5-67.70000112.4H626 L627 H628 S634H626-C630 VanDerWaalsContact CE1-SG 3.54Å; H626-C630 WeakPolarHBondContact O-CB 3.46Å; H626-C630 PolarHBondContact O-N 3.07Å; H626-C630 PolarHBondContact O-SG 3.38Å; L627-C630 PolarHBondContact O-N 3.23Å; H628-C630 PolarHBondContact O-N 2.88Å; C630-S634 WeakPolarHBondContact O-CB 3.45Å; C630-S634 PolarHBondContact O-N 3.43Å
631L96.9Very high91.3Very high88 Ų88112.7 Ų112.746%0.46157%0.567SS.*Hα-helixtrans-68.1-44.9174.9-179.2141.9000111L627 H628 Q633 S634 L635L627-L631 WeakPolarHBondContact O-CB 3.44Å; L627-L631 PolarHBondContact O-N 2.96Å; H628-L631 PolarHBondContact O-N 2.9Å; L631-Q633 PolarHBondContact O-N 2.74Å; L631-S634 CarbonylContact O-C 3.55Å; L631-S634 PolarHBondContact O-N 3.25Å; L631-S634 VanDerWaalsContact O-N 3.08Å; L631-L635 HydrophobicContact CD2-CD1 3.63Å; L631-L635 HydrophobicContact CD2-CG 4.4Å; L631-L635 HydrophobicContact CG-CD1 4.35Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 3.39Å
632M96.1Very high90.3Very high99 Ų99119.2 Ų119.249%0.48859%0.588SS.*Hα-helixtrans-61.5-42174.2-72-58.8-63.300111.9H628 A629 S634 L635 E636H628-M632 WeakPolarHBondContact O-CB 3.44Å; H628-M632 WeakPolarHBondContact O-CG 3.46Å; H628-M632 PolarHBondContact O-N 3.49Å; A629-M632 PolarHBondContact O-N 3.09Å; M632-S634 VanDerWaalsContact C-N 3.25Å; M632-S634 PolarHBondContact O-N 3.1Å; M632-L635 CarbonylContact O-C 3.59Å; M632-L635 PolarHBondContact O-N 3.46Å; M632-L635 VanDerWaalsContact O-N 3.16Å; M632-E636 WeakPolarHBondContact O-CB 3.35Å; M632-E636 PolarHBondContact O-N 3.11Å
633Q93.8Very high89.5Confident139 Ų139117.6 Ų117.665%0.6559%0.586SS**Hα-helixtrans-67.2-23.2173.9-179.3169.667.600113.3A629 L631A629-Q633 VanDerWaalsContact O-CB 3.28Å; A629-Q633 WeakPolarHBondContact O-CB 3.45Å; A629-Q633 PolarHBondContact O-N 3.08Å; L631-Q633 PolarHBondContact O-N 2.74Å
634S93Very high88.8Confident97 Ų97113.6 Ų113.668%0.67858%0.579SS**Hα-helixtrans-86.5-15.5173.5-172.30000113.5C630 L631 M632C630-S634 WeakPolarHBondContact O-CB 3.45Å; C630-S634 PolarHBondContact O-N 3.43Å; L631-S634 CarbonylContact O-C 3.55Å; L631-S634 PolarHBondContact O-N 3.25Å; L631-S634 VanDerWaalsContact O-N 3.08Å; M632-S634 VanDerWaalsContact C-N 3.25Å; M632-S634 PolarHBondContact O-N 3.1Å
635L92.1Very high88Confident121 Ų121116.3 Ų116.363%0.63459%0.588SS**Hα-helixtrans-100-25.7174.8-69.6179.3000112.5L631 M632 P637L631-L635 HydrophobicContact CD2-CD1 3.63Å; L631-L635 HydrophobicContact CD2-CG 4.4Å; L631-L635 HydrophobicContact CG-CD1 4.35Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 3.39Å; M632-L635 CarbonylContact O-C 3.59Å; M632-L635 PolarHBondContact O-N 3.46Å; M632-L635 VanDerWaalsContact O-N 3.16Å; L635-P637 WeakPolarHBondContact O-CD 3.32Å; L635-P637 VanDerWaalsContact O-N 3.15Å
636E90.8Very high87.3Confident114 Ų114115 Ų11553%0.53358%0.582SS.*SBendtrans-49.7118.8164.7-176.6-178177.700107.3M632 P638M632-E636 WeakPolarHBondContact O-CB 3.35Å; M632-E636 PolarHBondContact O-N 3.11Å; E636-P638 WeakPolarHBondContact O-CD 3.37Å
637P81.1Confident86.6Confident102 Ų102113 Ų11366%0.66257%0.573SS**PPolyproline II helixtrans-55.1118.2179.9-26.334.9000108.4L635 N639L635-P637 WeakPolarHBondContact O-CD 3.32Å; L635-P637 VanDerWaalsContact O-N 3.15Å; P637-N639 PolarHBondContact O-N 3.43Å
638P78Confident86Confident70 Ų70109.8 Ų109.846%0.45556%0.559SS.*PPolyproline II helixtrans-52.7147.8171.3-24.334.5000107.8E636 Y640E636-P638 WeakPolarHBondContact O-CD 3.37Å; P638-Y640 HydrophobicContact CB-CD1 4.4Å; P638-Y640 HydrophobicContact CB-CD2 3.96Å; P638-Y640 HydrophobicContact CB-CE1 4.13Å; P638-Y640 HydrophobicContact CB-CE2 3.67Å; P638-Y640 HydrophobicContact CB-CG 4.32Å; P638-Y640 HydrophobicContact CG-CD2 4.27Å; P638-Y640 HydrophobicContact CG-CE2 3.59Å; P638-Y640 WeakPolarHBondContact O-CD2 3.36Å; P638-Y640 PolarHBondContact O-N 2.84Å
639N74.9Confident85.2Confident153 Ų153109.9 Ų109.982%0.81856%0.56SS**  trans-72.356.9-179.5-89.4-86.4000111.7P637 R641P637-N639 PolarHBondContact O-N 3.43Å; N639-R641 PolarHBondContact O-N 2.96Å
640Y71.5Confident84.3Confident171 Ų171115.4 Ų115.467%0.67157%0.57SS**  trans-60.380.8160.6-58.5-53.8000107.7P638 Y642P638-Y640 HydrophobicContact CB-CD1 4.4Å; P638-Y640 HydrophobicContact CB-CD2 3.96Å; P638-Y640 HydrophobicContact CB-CE1 4.13Å; P638-Y640 HydrophobicContact CB-CE2 3.67Å; P638-Y640 HydrophobicContact CB-CG 4.32Å; P638-Y640 HydrophobicContact CG-CD2 4.27Å; P638-Y640 HydrophobicContact CG-CE2 3.59Å; P638-Y640 WeakPolarHBondContact O-CD2 3.36Å; P638-Y640 PolarHBondContact O-N 2.84Å; Y640-Y642 PolarHBondContact O-N 3.12Å
641R69.3Low83.2Confident218 Ų218117.7 Ų117.782%0.82358%0.578SS**  trans-52.2112.3151.1-68.9-175.7175.1-166-2.5105.7N639 T643N639-R641 PolarHBondContact O-N 2.96Å; R641-T643 VanDerWaalsContact C-N 3.25Å; R641-T643 PolarHBondContact O-N 3.36Å
642Y76.2Confident82.2Confident215 Ų215119.4 Ų119.484%0.84359%0.587SS**  trans-6194.9172.4-72.6-84.8000107Y640 T644Y640-Y642 PolarHBondContact O-N 3.12Å; Y642-T644 PolarHBondContact O-N 2.93Å; Y642-T644 VanDerWaalsContact O-N 3.12Å
643T82.6Confident81Confident77 Ų77118 Ų11847%0.47259%0.585SS.*  trans-60.2119.7-176.851.60000107.8R641 E647R641-T643 VanDerWaalsContact C-N 3.25Å; R641-T643 PolarHBondContact O-N 3.36Å; T643-E647 VanDerWaalsContact CA-OE2 3.26Å; T643-E647 WeakPolarHBondContact CA-OE2 3.49Å
644T82.7Confident79.5Confident68 Ų68115.4 Ų115.442%0.41758%0.581SS.*  trans-65.9160.5-175.879.70000109.6Y642 E646 E647 T648Y642-T644 PolarHBondContact O-N 2.93Å; Y642-T644 VanDerWaalsContact O-N 3.12Å; T644-E646 WeakPolarHBondContact CB-OE2 3.44Å; T644-E646 PolarHBondContact O-N 2.86Å; T644-E646 VanDerWaalsContact O-N 3.12Å; T644-E646 PolarHBondContact OG1-OE2 3.42Å; T644-E647 PolarHBondContact N-OE2 3.24Å; T644-E647 WeakPolarHBondContact O-CA 3.47Å; T644-E647 WeakPolarHBondContact O-CB 3.4Å; T644-E647 PolarHBondContact O-N 3.23Å; T644-T648 PolarHBondContact O-N 2.69Å; T644-T648 VanDerWaalsContact O-N 3.08Å
645L82.9Confident77.9Confident113 Ų113117 Ų11759%0.59258%0.578SS**Hα-helixtrans-57.5-34.4-176.9-171.9129.1000110.8E647 T648 M649L645-E647 PolarHBondContact O-N 3.16Å; L645-T648 PolarHBondContact O-N 2.87Å; L645-T648 PolarHBondContact O-OG1 2.95Å; L645-M649 HydrophobicContact CD2-CG 4.25Å; L645-M649 HydrophobicContact CD2-SD 3.55Å; L645-M649 VanDerWaalsContact CD2-SD 3.55Å; L645-M649 WeakPolarHBondContact O-CB 3.36Å; L645-M649 WeakPolarHBondContact O-CG 3.42Å; L645-M649 PolarHBondContact O-N 2.87Å
646E81.4Confident76.3Confident97 Ų97117 Ų11745%0.45357%0.574SS.*Hα-helixtrans-64.9-35.2174.7-53.870.1-150.500113.1T644 R650T644-E646 WeakPolarHBondContact CB-OE2 3.44Å; T644-E646 PolarHBondContact O-N 2.86Å; T644-E646 VanDerWaalsContact O-N 3.12Å; T644-E646 PolarHBondContact OG1-OE2 3.42Å; E646-R650 WeakPolarHBondContact O-CD 3.41Å; E646-R650 WeakPolarHBondContact O-CG 3.25Å; E646-R650 PolarHBondContact O-N 3.45Å; E646-R650 VanDerWaalsContact O-N 3.11Å
647E83.8Confident74.8Confident84 Ų84116.7 Ų116.739%0.39358%0.576SS.*Hα-helixtrans-69.5-43.6172.5-67.8-170.7136.300111.1T643 T644 L645 M649 R650 L651T643-E647 VanDerWaalsContact CA-OE2 3.26Å; T643-E647 WeakPolarHBondContact CA-OE2 3.49Å; T644-E647 PolarHBondContact N-OE2 3.24Å; T644-E647 WeakPolarHBondContact O-CA 3.47Å; T644-E647 WeakPolarHBondContact O-CB 3.4Å; T644-E647 PolarHBondContact O-N 3.23Å; L645-E647 PolarHBondContact O-N 3.16Å; E647-M649 VanDerWaalsContact C-N 3.33Å; E647-M649 PolarHBondContact O-N 3.46Å; E647-R650 PolarHBondContact O-N 2.93Å; E647-R650 VanDerWaalsContact O-N 3.13Å; E647-L651 WeakPolarHBondContact O-CG 3.49Å; E647-L651 PolarHBondContact O-N 2.59Å
648T86Confident73.7Confident52 Ų52118.1 Ų118.132%0.31957%0.574SS.*Hα-helixtrans-62.2-40.8176.571.70000111.9T644 L645 R650 L651 L652T644-T648 PolarHBondContact O-N 2.69Å; T644-T648 VanDerWaalsContact O-N 3.08Å; L645-T648 PolarHBondContact O-N 2.87Å; L645-T648 PolarHBondContact O-OG1 2.95Å; T648-R650 VanDerWaalsContact C-N 3.3Å; T648-R650 PolarHBondContact O-N 3.47Å; T648-L651 PolarHBondContact O-N 3.5Å; T648-L652 WeakPolarHBondContact O-CG 3.49Å; T648-L652 PolarHBondContact O-N 2.86Å
649M81.3Confident72.8Confident120 Ų120117.5 Ų117.559%0.59157%0.574SS**Hα-helixtrans-68.1-24.1175.4-74.1-174.771.100113.6L645 E647 P653L645-M649 HydrophobicContact CD2-CG 4.25Å; L645-M649 HydrophobicContact CD2-SD 3.55Å; L645-M649 VanDerWaalsContact CD2-SD 3.55Å; L645-M649 WeakPolarHBondContact O-CB 3.36Å; L645-M649 WeakPolarHBondContact O-CG 3.42Å; L645-M649 PolarHBondContact O-N 2.87Å; E647-M649 VanDerWaalsContact C-N 3.33Å; E647-M649 PolarHBondContact O-N 3.46Å; M649-P653 WeakPolarHBondContact O-CD 3.33Å; M649-P653 WeakPolarHBondContact O-CG 3.5Å
650R79.2Confident71.9Confident171 Ų171115 Ų11565%0.64556%0.558SS**Hα-helixtrans-80.3-33.8171.4-72.7163.6-173.8147.82.5112.3E646 E647 T648 C654E646-R650 WeakPolarHBondContact O-CD 3.41Å; E646-R650 WeakPolarHBondContact O-CG 3.25Å; E646-R650 PolarHBondContact O-N 3.45Å; E646-R650 VanDerWaalsContact O-N 3.11Å; E647-R650 PolarHBondContact O-N 2.93Å; E647-R650 VanDerWaalsContact O-N 3.13Å; T648-R650 VanDerWaalsContact C-N 3.3Å; T648-R650 PolarHBondContact O-N 3.47Å; R650-C654 PolarHBondContact O-SG 3.5Å
651L73.2Confident70.9Confident102 Ų102111.3 Ų111.353%0.53455%0.553SS.*Hα-helixtrans-73.7-37.6179.5-74.9164000113.1E647 T648 C654 H655E647-L651 WeakPolarHBondContact O-CG 3.49Å; E647-L651 PolarHBondContact O-N 2.59Å; T648-L651 PolarHBondContact O-N 3.5Å; L651-C654 PolarHBondContact O-N 2.99Å; L651-H655 PolarHBondContact O-N 3.36Å
652L75.5Confident70.1Confident124 Ų124105 Ų10565%0.64954%0.543SS*.Hα-helixtrans-57-49.3-177.3-78.8163.7000113.9T648 H655 H656T648-L652 WeakPolarHBondContact O-CG 3.49Å; T648-L652 PolarHBondContact O-N 2.86Å; L652-H655 PolarHBondContact O-N 2.87Å; L652-H656 PolarHBondContact O-N 3Å
653P71.7Confident68.9Low71 Ų71102.4 Ų102.446%0.46154%0.538SS..Hα-helixtrans-62.3-42176-24.334.4000113.4M649 H655 H656 L657M649-P653 WeakPolarHBondContact O-CD 3.33Å; M649-P653 WeakPolarHBondContact O-CG 3.5Å; P653-H655 PolarHBondContact O-N 3.41Å; P653-H656 PolarHBondContact O-N 3.04Å; P653-L657 PolarHBondContact O-N 2.89Å; P653-L657 VanDerWaalsContact O-N 3.09Å
654C62.2Low67.5Low83 Ų83102.5 Ų102.556%0.56154%0.538SS*.Hα-helixtrans-63-42.4-179.3-65.40000111.9R650 L651 H656 L657 Q658R650-C654 PolarHBondContact O-SG 3.5Å; L651-C654 PolarHBondContact O-N 2.99Å; C654-H656 VanDerWaalsContact C-N 3.32Å; C654-H656 PolarHBondContact O-N 3.22Å; C654-L657 PolarHBondContact O-N 2.91Å; C654-Q658 PolarHBondContact O-N 2.78Å; C654-Q658 VanDerWaalsContact O-N 3.1Å
655H59Low65.9Low131 Ų131102.7 Ų102.761%0.60654%0.543SS*.Hα-helixtrans-67.9-31.9177.6-120.5-63.4000112.8L651 L652 P653 A659L651-H655 PolarHBondContact O-N 3.36Å; L652-H655 PolarHBondContact O-N 2.87Å; P653-H655 PolarHBondContact O-N 3.41Å; H655-A659 PolarHBondContact O-N 2.69Å
656H60.2Low64.4Low121 Ų121105 Ų10556%0.5655%0.551SS**Hα-helixtrans-67.8-44.6175.6-166.767000111.8L652 P653 C654 A659 Q660L652-H656 PolarHBondContact O-N 3Å; P653-H656 PolarHBondContact O-N 3.04Å; C654-H656 VanDerWaalsContact C-N 3.32Å; C654-H656 PolarHBondContact O-N 3.22Å; H656-A659 PolarHBondContact O-N 3.24Å; H656-Q660 PolarHBondContact CD2-NE2 3.25Å; H656-Q660 VanDerWaalsContact CD2-NE2 3.35Å; H656-Q660 PolarHBondContact NE2-NE2 2.92Å; H656-Q660 PolarHBondContact O-N 3.42Å
657L58.1Low63Low107 Ų107102.4 Ų102.456%0.5655%0.55SS*.Hα-helixtrans-64-43.9177.2-69.4168.8000112.1P653 C654 A659 Q660 T661P653-L657 PolarHBondContact O-N 2.89Å; P653-L657 VanDerWaalsContact O-N 3.09Å; C654-L657 PolarHBondContact O-N 2.91Å; L657-A659 PolarHBondContact O-N 3.23Å; L657-Q660 PolarHBondContact O-N 2.91Å; L657-T661 PolarHBondContact O-N 3.36Å; L657-T661 PolarHBondContact O-OG1 3Å
658Q57.8Low61.6Low133 Ų133104.6 Ų104.662%0.62156%0.56SS**Hα-helixtrans-64.7-26.4179.8-163.5173.426.600113.1C654 T661C654-Q658 PolarHBondContact O-N 2.78Å; C654-Q658 VanDerWaalsContact O-N 3.1Å; Q658-T661 PolarHBondContact O-OG1 3.17Å
659A58.5Low60Low57 Ų57107.5 Ų107.547%0.47157%0.573SS.*Hα-helixtrans-75.2-30.4172.900000113.2H655 H656 L657 S662H655-A659 PolarHBondContact O-N 2.69Å; H656-A659 PolarHBondContact O-N 3.24Å; L657-A659 PolarHBondContact O-N 3.23Å; A659-S662 PolarHBondContact O-OG 2.93Å
660Q56.3Low58.9Low100 Ų100106 Ų10647%0.46757%0.571SS.*Hα-helixtrans-78.5-42.7179.9-67.7-177.211.500112.6H656 L657 S662 Q663 T664H656-Q660 PolarHBondContact CD2-NE2 3.25Å; H656-Q660 VanDerWaalsContact CD2-NE2 3.35Å; H656-Q660 PolarHBondContact NE2-NE2 2.92Å; H656-Q660 PolarHBondContact O-N 3.42Å; L657-Q660 PolarHBondContact O-N 2.91Å; Q660-S662 PolarHBondContact O-N 3.26Å; Q660-Q663 PolarHBondContact O-N 2.88Å; Q660-T664 PolarHBondContact O-N 3.41Å
661T52.2Low57.8Low93 Ų93104.4 Ų104.457%0.57157%0.571SS**Hα-helixtrans-63.2-15.8-177.253.10000114.3L657 Q658L657-T661 PolarHBondContact O-N 3.36Å; L657-T661 PolarHBondContact O-OG1 3Å; Q658-T661 PolarHBondContact O-OG1 3.17Å
662S50.8Low57.2Low87 Ų87104 Ų10461%0.60857%0.572SS**Hα-helixtrans-90.2-6176.350.60000114.2A659 Q660A659-S662 PolarHBondContact O-OG 2.93Å; Q660-S662 PolarHBondContact O-N 3.26Å
663Q52.1Low56.4Low160 Ų160101.8 Ų101.875%0.74856%0.564SS**Hα-helixtrans-103.3-40.8174.3-62.8-166.86.500113Q660 S665 Q666Q660-Q663 PolarHBondContact O-N 2.88Å; Q663-S665 VanDerWaalsContact C-N 3.31Å; Q663-S665 PolarHBondContact O-N 3Å; Q663-Q666 PolarHBondContact O-N 3.3Å
664T53Low55.8Low78 Ų78103.5 Ų103.548%0.47957%0.568SS.*Hα-helixtrans-62-36.8-178.9520000113.1Q660 Q666 G667 E668Q660-T664 PolarHBondContact O-N 3.41Å; T664-Q666 PolarHBondContact O-N 2.88Å; T664-G667 PolarHBondContact O-N 3.05Å; T664-E668 PolarHBondContact O-N 3.35Å
665S49Very low55.8Low73 Ų73106.3 Ų106.351%0.5157%0.573SS.*Hα-helixtrans-59.2-16.3-178.8178.90000115.2Q663Q663-S665 VanDerWaalsContact C-N 3.31Å; Q663-S665 PolarHBondContact O-N 3Å
666Q50.7Low55.7Low162 Ų162108 Ų10876%0.75758%0.579SS**Hα-helixtrans-98.8-15.3171.7-65.8-153.2-2.200114.7Q663 T664Q663-Q666 PolarHBondContact O-N 3.3Å; T664-Q666 PolarHBondContact O-N 2.88Å
667G52.2Low55.6Low42 Ų42108.5 Ų108.543%0.43358%0.583SS.*Hα-helixtrans-76.1-51.6175.400000112.3T664 N669 V670 E671T664-G667 PolarHBondContact O-N 3.05Å; G667-N669 VanDerWaalsContact C-N 3.25Å; G667-N669 PolarHBondContact O-N 3.46Å; G667-N669 VanDerWaalsContact O-N 3.16Å; G667-V670 PolarHBondContact O-N 2.91Å; G667-E671 PolarHBondContact O-N 3.39Å
668E54.2Low55.7Low129 Ų129111.9 Ų111.960%0.60360%0.596SS**Hα-helixtrans-59.9-32.3-172.1-64.8168.5173.700113.1T664 V670 E671 V672T664-E668 PolarHBondContact O-N 3.35Å; E668-V670 VanDerWaalsContact C-N 3.31Å; E668-V670 PolarHBondContact O-N 3.05Å; E668-E671 PolarHBondContact O-N 3.27Å; E668-V672 WeakPolarHBondContact O-CG2 3.17Å; E668-V672 PolarHBondContact O-N 3.16Å; E668-V672 VanDerWaalsContact O-N 3.14Å
669N52.6Low55.7Low113 Ų113109 Ų10960%0.60460%0.595SS**Hα-helixtrans-68.4-24.9175.6-99.1-64.3000113.9G667 V673G667-N669 VanDerWaalsContact C-N 3.25Å; G667-N669 PolarHBondContact O-N 3.46Å; G667-N669 VanDerWaalsContact O-N 3.16Å; N669-V673 WeakPolarHBondContact O-CB 3.36Å; N669-V673 WeakPolarHBondContact O-CG2 3.28Å; N669-V673 PolarHBondContact O-N 3.32Å
670V57.5Low55.4Low88 Ų88114.9 Ų114.953%0.53361%0.613SS.*Hα-helixtrans-79.4-40.7177.9-176.90000110.2G667 E668 V673 L674G667-V670 PolarHBondContact O-N 2.91Å; E668-V670 VanDerWaalsContact C-N 3.31Å; E668-V670 PolarHBondContact O-N 3.05Å; V670-V673 PolarHBondContact O-N 3.01Å; V670-L674 HydrophobicContact CG1-CD1 4.16Å; V670-L674 PolarHBondContact O-N 2.66Å
671E57.7Low55.6Low139 Ų139115.7 Ų115.765%0.6563%0.627SS**Hα-helixtrans-70.6-41.2-178-162.3155.4-172.700111.8G667 E668 V673 L674 Q675G667-E671 PolarHBondContact O-N 3.39Å; E668-E671 PolarHBondContact O-N 3.27Å; E671-V673 VanDerWaalsContact C-N 3.28Å; E671-V673 PolarHBondContact O-N 3.09Å; E671-L674 PolarHBondContact O-N 3.46Å; E671-Q675 VanDerWaalsContact O-CB 3.29Å; E671-Q675 WeakPolarHBondContact O-CB 3.45Å; E671-Q675 PolarHBondContact O-N 3.13Å
672V59.3Low55.8Low92 Ų92116.4 Ų116.456%0.55864%0.642SS**Hα-helixtrans-63.7-31.9171.9173.50000112.4E668 K676E668-V672 WeakPolarHBondContact O-CG2 3.17Å; E668-V672 PolarHBondContact O-N 3.16Å; E668-V672 VanDerWaalsContact O-N 3.14Å; V672-K676 VanDerWaalsContact O-CB 3.23Å; V672-K676 WeakPolarHBondContact O-CB 3.48Å; V672-K676 PolarHBondContact O-N 3.32Å; V672-K676 VanDerWaalsContact O-N 3.17Å
673V58.9Low55.6Low79 Ų79120.7 Ų120.748%0.47968%0.683SS.*Hα-helixtrans-76-38.1176.9164.50000112N669 V670 E671 M677N669-V673 WeakPolarHBondContact O-CB 3.36Å; N669-V673 WeakPolarHBondContact O-CG2 3.28Å; N669-V673 PolarHBondContact O-N 3.32Å; V670-V673 PolarHBondContact O-N 3.01Å; E671-V673 VanDerWaalsContact C-N 3.28Å; E671-V673 PolarHBondContact O-N 3.09Å; V673-M677 HydrophobicContact CG1-CE 3.95Å; V673-M677 PolarHBondContact O-N 3.26Å
674L58.8Low55.8Low106 Ų106118.7 Ų118.756%0.55568%0.679SS**Hα-helixtrans-65-51.1172.7-78.9165.7000111.3V670 E671 K676 M677 E678V670-L674 HydrophobicContact CG1-CD1 4.16Å; V670-L674 PolarHBondContact O-N 2.66Å; E671-L674 PolarHBondContact O-N 3.46Å; L674-K676 PolarHBondContact O-N 2.65Å; L674-K676 VanDerWaalsContact O-N 3.13Å; L674-M677 HydrophobicContact CD2-CE 4.38Å; L674-M677 PolarHBondContact O-N 3.04Å; L674-E678 PolarHBondContact O-N 3.34Å; L674-E678 VanDerWaalsContact O-N 3.17Å
675Q62.1Low55.9Low142 Ų142120.8 Ų120.866%0.66469%0.69SS**Hα-helixtrans-63.2-21.6-179.8-168.416978.100112.9E671E671-Q675 VanDerWaalsContact O-CB 3.29Å; E671-Q675 WeakPolarHBondContact O-CB 3.45Å; E671-Q675 PolarHBondContact O-N 3.13Å
676K57.3Low56.3Low166 Ų166123.5 Ų123.572%0.72270%0.7SS**Hα-helixtrans-84.3-21.8172.6-170.7165.3-176.9174.50114.3V672 L674V672-K676 VanDerWaalsContact O-CB 3.23Å; V672-K676 WeakPolarHBondContact O-CB 3.48Å; V672-K676 PolarHBondContact O-N 3.32Å; V672-K676 VanDerWaalsContact O-N 3.17Å; L674-K676 PolarHBondContact O-N 2.65Å; L674-K676 VanDerWaalsContact O-N 3.13Å
677M57.4Low56.7Low132 Ų132121.2 Ų121.265%0.6570%0.696SS**Hα-helixtrans-85.4-20.6172.9-73.4-173.5-67.800113.1V673 L674 A679V673-M677 HydrophobicContact CG1-CE 3.95Å; V673-M677 PolarHBondContact O-N 3.26Å; L674-M677 HydrophobicContact CD2-CE 4.38Å; L674-M677 PolarHBondContact O-N 3.04Å; M677-A679 VanDerWaalsContact C-N 3.27Å; M677-A679 PolarHBondContact O-N 2.7Å
678E62.3Low56.9Low179 Ų179126.2 Ų126.284%0.83671%0.713SS**THydrogen-bonded Turntrans-81.7-3.9176.1-161.1164.3-165.600113.3L674L674-E678 PolarHBondContact O-N 3.34Å; L674-E678 VanDerWaalsContact O-N 3.17Å
679A57.5Low57.1Low73 Ų73126 Ų12660%0.60372%0.72SS**THydrogen-bonded Turntrans-107.210.9-171.800000115.4M677 P681M677-A679 VanDerWaalsContact C-N 3.27Å; M677-A679 PolarHBondContact O-N 2.7Å; A679-P681 WeakPolarHBondContact O-CD 3.26Å
680E51.3Low57.4Low180 Ų180126.9 Ų126.984%0.84173%0.729SS**  trans-110.884.4-179.3-169.1165.5-129.400111.8
681P59.9Low57.4Low116 Ų116129.9 Ų129.975%0.75374%0.744SS**  trans-73.3144.9171.631.5-34.6000111.2A679A679-P681 WeakPolarHBondContact O-CD 3.26Å
682A57Low57.4Low109 Ų109129.2 Ų129.290%0.90175%0.751SS**  trans-66.6150.4-172.300000114.8
683A47.2Very low57.2Low176 Ų176132.5 Ų132.5100%1.45577%0.769SS**  trans-138.10166.900000109.6

Retrieved 683 of 683 residues in 375 ms (Link to these results)