A0A060WZ35_ONCMY Loading...

Homeobox protein Nkx-3.2

AlphaFold DB , UniProt , Accession A0A060WZ35, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nkx3-2, Length 276 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 low57.1Low240 Ų240150.2 Ų150.2100%1.18282%0.815SS**  0113.70-72.7-178.3173.600108.4
2A42.2Very low58.9Low101 Ų101142.8 Ų142.884%0.83578%0.783SS**  trans-93.6108.8176.900000109.2R4A2-R4 PolarHBondContact O-N 3.24Å
3V52.3Low60.2Low131 Ų131140.9 Ų140.979%0.79477%0.77SS**  trans-80.5107.3175.4-174.40000107.5S5V3-S5 PolarHBondContact O-N 2.81Å
4R52.3Low60.9Low240 Ų240140.7 Ų140.791%0.90676%0.761SS**  trans-72.3105.3171.9-77175.5166.7150.8-4.2108.6A2 N6A2-R4 PolarHBondContact O-N 3.24Å; R4-N6 PolarHBondContact O-N 3.39Å
5S52.9Low61.7Low113 Ų113135.5 Ų135.579%0.7975%0.745SS**  trans-67.497.6174.3-50.30000110.4V3 S7V3-S5 PolarHBondContact O-N 2.81Å; S5-S7 PolarHBondContact O-N 3.38Å; S5-S7 VanDerWaalsContact O-N 3.15Å
6N56.2Low62.4Low149 Ų149133.1 Ų133.180%0.79773%0.729SS**  trans-8384.2174.1-127.810.5000108.9R4 L8R4-N6 PolarHBondContact O-N 3.39Å; N6-L8 PolarHBondContact O-N 3.48Å
7S61.7Low62.8Low93 Ų93131.7 Ų131.765%0.6572%0.72SS**  trans-77.486.6174.8-163.50000109.8S5 M9S5-S7 PolarHBondContact O-N 3.38Å; S5-S7 VanDerWaalsContact O-N 3.15Å; S7-M9 PolarHBondContact O-N 3.36Å; S7-M9 WeakPolarHBondContact OG-CE 3.35Å
8L67.1Low62.9Low150 Ų150129.6 Ų129.679%0.78571%0.708SS**  trans-72.8102.3166.7-98.7141.4000108.2N6N6-L8 PolarHBondContact O-N 3.48Å
9M74.1Confident62.8Low145 Ų145131 Ų13171%0.71471%0.706SS**  trans-59124.7169.9-68.6-67.7114.700109.2S7 F11S7-M9 PolarHBondContact O-N 3.36Å; S7-M9 WeakPolarHBondContact OG-CE 3.35Å; M9-F11 PolarHBondContact O-N 3.05Å
10P66.5Low62.4Low115 Ų115132.8 Ų132.875%0.74771%0.707SS**  trans-66.8134.9-179.326.7-33.1000110.1S12P10-S12 PolarHBondContact O-N 3.27Å
11F64Low62.1Low175 Ų175131.7 Ų131.777%0.76870%0.698SS**  trans-62.197175.5-173.7-94.4000109.7M9 I16M9-F11 PolarHBondContact O-N 3.05Å; F11-I16 HydrophobicContact CE1-CD1 3.84Å; F11-I16 HydrophobicContact CE2-CD1 4.32Å; F11-I16 HydrophobicContact CZ-CD1 3.52Å
12S78.3Confident62.7Low62 Ų62126.8 Ų126.843%0.43468%0.677SS.*  trans-86.1114.1-179.6179.70000110.7P10 Q14 A15P10-S12 PolarHBondContact O-N 3.27Å; S12-Q14 PolarHBondContact O-N 3.42Å; S12-Q14 PolarHBondContact OG-N 3.4Å; S12-A15 WeakPolarHBondContact O-CB 3.38Å; S12-A15 PolarHBondContact O-N 3.24Å; S12-A15 VanDerWaalsContact O-N 3.13Å
13I75.2Confident63.1Low118 Ų118126.5 Ų126.561%0.60567%0.669SS**Hα-helixtrans-59.1-30.9174.6-61.5174.8000110.6A15 I16 L17I13-A15 VanDerWaalsContact C-N 3.33Å; I13-A15 PolarHBondContact O-N 2.83Å; I13-I16 WeakPolarHBondContact O-CB 3.47Å; I13-I16 PolarHBondContact O-N 3.45Å; I13-L17 HydrophobicContact CG2-CD1 4.36Å; I13-L17 PolarHBondContact O-N 3.44Å
14Q70.6Confident63.1Low138 Ų138128.5 Ų128.565%0.64566%0.662SS**Hα-helixtrans-66.7-31.1178.5-64-156.9-0.400113.2S12 I16 L17 N18S12-Q14 PolarHBondContact O-N 3.42Å; S12-Q14 PolarHBondContact OG-N 3.4Å; Q14-I16 PolarHBondContact O-N 3.22Å; Q14-L17 PolarHBondContact O-N 2.94Å; Q14-N18 PolarHBondContact O-N 3.47Å
15A72.9Confident63Low63 Ų63125.8 Ų125.852%0.52166%0.659SS.*Hα-helixtrans-65.4-27.3175.500000112.7S12 I13 K19S12-A15 WeakPolarHBondContact O-CB 3.38Å; S12-A15 PolarHBondContact O-N 3.24Å; S12-A15 VanDerWaalsContact O-N 3.13Å; I13-A15 VanDerWaalsContact C-N 3.33Å; I13-A15 PolarHBondContact O-N 2.83Å; A15-K19 WeakPolarHBondContact O-CB 3.49Å; A15-K19 PolarHBondContact O-N 3.22Å
16I72.2Confident62.6Low96 Ų96127.7 Ų127.749%0.49266%0.66SS.*Hα-helixtrans-77.4-39176.7-59.2172.3000110.5F11 I13 Q14F11-I16 HydrophobicContact CE1-CD1 3.84Å; F11-I16 HydrophobicContact CE2-CD1 4.32Å; F11-I16 HydrophobicContact CZ-CD1 3.52Å; I13-I16 WeakPolarHBondContact O-CB 3.47Å; I13-I16 PolarHBondContact O-N 3.45Å; Q14-I16 PolarHBondContact O-N 3.22Å
17L70.3Confident62.3Low110 Ų110126.3 Ų126.358%0.57666%0.659SS**Hα-helixtrans-71.7-42.1-179.8-65.2175.5000111.5I13 Q14 K19 K20I13-L17 HydrophobicContact CG2-CD1 4.36Å; I13-L17 PolarHBondContact O-N 3.44Å; Q14-L17 PolarHBondContact O-N 2.94Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 2.72Å; L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.29Å; L17-K20 VanDerWaalsContact O-N 3.14Å
18N64.3Low61.5Low93 Ų93128.2 Ų128.250%0.49766%0.661SS.*Hα-helixtrans-64.2-33.7177.2-76.2-2.6000112.7Q14 K20 E21Q14-N18 PolarHBondContact O-N 3.47Å; N18-K20 PolarHBondContact O-N 3.44Å; N18-E21 PolarHBondContact O-N 3.3Å
19K60.8Low60.5Low157 Ų157128.8 Ų128.868%0.68367%0.665SS**THydrogen-bonded Turntrans-63.9-14.5177.2-164.8164.4179.1168.70113.8A15 L17 S23A15-K19 WeakPolarHBondContact O-CB 3.49Å; A15-K19 PolarHBondContact O-N 3.22Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 2.72Å; K19-S23 PolarHBondContact O-OG 3.09Å
20K54Low59.3Low167 Ų167128.4 Ų128.473%0.72667%0.665SS**THydrogen-bonded Turntrans-82.1-19.5173.3-169.6167.7177.81780112.8L17 N18L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.29Å; L17-K20 VanDerWaalsContact O-N 3.14Å; N18-K20 PolarHBondContact O-N 3.44Å
21E56.6Low58.3Low110 Ų110129.6 Ų129.651%0.51466%0.664SS.*THydrogen-bonded Turntrans-86.3-34.6178.9-65.8-159.2112.100113N18 S23 R24N18-E21 PolarHBondContact O-N 3.3Å; E21-S23 PolarHBondContact O-N 2.89Å; E21-R24 VanDerWaalsContact CD-NH2 3.33Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-R24 IonicContact OE1-CZ 3.73Å; E21-R24 IonicContact OE1-NH2 2.73Å; E21-R24 PolarHBondContact OE1-NH2 3.35Å
22D52.3Low57.4Low137 Ų137126.3 Ų126.373%0.73366%0.661SS**G310 helixtrans-67.8-18.6178.3-68.3-34.8000113.8R24D22-R24 PolarHBondContact O-N 2.99Å
23S50.7Low55.6Low95 Ų95132.4 Ų132.466%0.66468%0.681SS**G310 helixtrans-80.12178.2-55.80000113.5K19 E21K19-S23 PolarHBondContact O-OG 3.09Å; E21-S23 PolarHBondContact O-N 2.89Å
24R51.5Low54.3Low173 Ų173130.2 Ų130.265%0.65368%0.675SS**G310 helixtrans-92.95.7-177.3-65.7-173.4-65.6178.7-7.1114.8E21 D22E21-R24 VanDerWaalsContact CD-NH2 3.33Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-R24 IonicContact OE1-CZ 3.73Å; E21-R24 IonicContact OE1-NH2 2.73Å; E21-R24 PolarHBondContact OE1-NH2 3.35Å; D22-R24 PolarHBondContact O-N 2.99Å
25H50.1Low53.1Low182 Ų182133.4 Ų133.484%0.84369%0.687SS**  trans-119.145.4-178.6-115.8-58.9000113.4
26L44.4Very low52Low154 Ų154136 Ų13681%0.80670%0.697SS**SBendtrans-122.3134.1162.3-75.1174000109.1D28L26-D28 PolarHBondContact O-N 3.01Å
27P49.7Very low51Low120 Ų120134.7 Ų134.778%0.77970%0.7SS**  trans-69.4120.3-177.728.5-32.2000110.4
28D45.2Very low50.1Low132 Ų132134.9 Ų134.971%0.70671%0.709SS**  trans30.789.2140.4-149.815000117.8L26L26-D28 PolarHBondContact O-N 3.01Å
29L47.7Very low49.1Very low163 Ų163141.8 Ų141.885%0.85373%0.729SS**  trans-124.5101.5145.7-93.4158.7000106.1I31L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.39Å
30D48.8Very low48.5Very low136 Ų136143.5 Ų143.573%0.72774%0.736SS**  trans-5091.1172.9-90.5-39.8000111.5
31I45.6Very low48.4Very low141 Ų141142.6 Ų142.672%0.72374%0.738SS**  trans-106.891.6157.9-67.6171.2000105.4L29 F33L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.39Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.33Å
32C44.5Very low47.9Very low105 Ų105147.7 Ų147.771%0.70976%0.759SS**  trans-51.290.3170.7-73.70000110.7S34C32-S34 PolarHBondContact O-N 2.91Å
33F41Very low47.6Very low191 Ų191144.9 Ų144.984%0.83876%0.762SS**  trans-81.276.2166.2-130.3-88.3000108.1I31 K35I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.33Å; F33-K35 PolarHBondContact O-N 3.49Å; F33-K35 VanDerWaalsContact O-N 3.08Å
34S46.3Very low47Very low71 Ų71149.3 Ų149.350%0.49777%0.772SS.*  trans-60.1113.7173.1-55.10000109.2C32 T36 A37C32-S34 PolarHBondContact O-N 2.91Å; S34-T36 PolarHBondContact O-N 3.29Å; S34-A37 PolarHBondContact O-N 3.13Å
35K46.9Very low46.6Very low205 Ų205149.6 Ų149.689%0.89178%0.783SS**THydrogen-bonded Turntrans-59.21.7176.1-103175.9175.6177.30114.8F33F33-K35 PolarHBondContact O-N 3.49Å; F33-K35 VanDerWaalsContact O-N 3.08Å
36T48.4Very low46Very low119 Ų119148 Ų14873%0.7378%0.781SS**THydrogen-bonded Turntrans-99.3-11.3-177.149.10000114S34S34-T36 PolarHBondContact O-N 3.29Å
37A52.3Low45.7Very low67 Ų67146.8 Ų146.855%0.55478%0.779SS**G310 helixtrans-87.3-8.4-172.700000115.7S34 W39S34-A37 PolarHBondContact O-N 3.13Å; A37-W39 VanDerWaalsContact C-N 3.33Å; A37-W39 PolarHBondContact O-N 3.48Å
38C49.8Very low45.1Very low114 Ų114144.8 Ų144.877%0.7778%0.781SS**G310 helixtrans-76.4-13-171.3-161.20000114.7
39W44.4Very low44.5Very low238 Ų238143.6 Ų143.690%0.90278%0.783SS**G310 helixtrans-100.8-1.5-175.3-62.488.7000114.3A37A37-W39 VanDerWaalsContact C-N 3.33Å; A37-W39 PolarHBondContact O-N 3.48Å
40K48.4Very low44.2Very low194 Ų194144.3 Ų144.384%0.84378%0.782SS**  trans-101.525.2-167.4-140.5169.6-174.7168.40115.4
41I50.7Low43.7Very low147 Ų147145.1 Ų145.175%0.75479%0.786SS**SBendtrans-114.710-177.6-58.5-178.2000113.1
42F46.1Very low43.1Very low218 Ų218147.6 Ų147.696%0.95679%0.792SS**SBendtrans-136.982.1168.8-105.3-86.8000110.1
43G46.3Very low43.3Very low77 Ų77148.1 Ų148.179%0.79479%0.794SS**  trans176.243.2178.700000113.7
44E38.3Very low43Very low189 Ų189143.6 Ų143.688%0.88379%0.792SS**  trans-141.992.1167.5-143.3163.9144.200106.5
45M44.6Very low42.4Very low178 Ų178144.7 Ų144.788%0.87781%0.806SS**  trans-98.4109.6166-174.394.599.100104.9T47M45-T47 PolarHBondContact O-N 2.93Å; M45-T47 VanDerWaalsContact O-N 3.08Å
46D36.6Very low41.6Very low150 Ų150141.5 Ų141.580%0.80281%0.808SS**  trans-55.2108.2168.5-85.6-51.2000109.7
47T38.4Very low41.1Very low127 Ų127147.2 Ų147.278%0.77982%0.816SS**  trans-87.4100.9151.851.50000106.5M45 S49M45-T47 PolarHBondContact O-N 2.93Å; M45-T47 VanDerWaalsContact O-N 3.08Å; T47-S49 PolarHBondContact O-N 3.09Å
48G35.9Very low40.3Very low79 Ų79149.2 Ų149.281%0.81483%0.825SS**  trans-57.1116.9171.200000110.6
49S32.9Very low39.5Very low106 Ų106150.1 Ų150.174%0.74182%0.823SS**  trans-116.2102.1159.857.10000106.5T47T47-S49 PolarHBondContact O-N 3.09Å
50E42.2Very low39.5Very low179 Ų179147 Ų14784%0.83682%0.818SS**  trans-68.2124.2169.9-67.6-100.3125.400109
51D38Very low38.8Very low153 Ų153141.6 Ų141.682%0.81882%0.818SS**  trans-70.8123.2165.6-78.2-53.7000110.3
52F33.6Very low38.1Very low193 Ų193139.3 Ų139.385%0.84682%0.821SS**  trans-144.8148147.2-90.8-77000110.8
53P47.2Very low37.5Very low115 Ų115134.5 Ų134.575%0.74781%0.813SS**  trans-102.5154.6-14938.4-34.6000116.1
54A35.4Very low37.2Very low97 Ų97139.7 Ų139.780%0.80282%0.819SS**  trans39.9119.5139.600000122.4
55A34.2Very low37.4Very low94 Ų94134.8 Ų134.878%0.77781%0.81SS**  trans81.4110.113100000120.5
56C30.2Very low37.3Very low138 Ų138131.6 Ų131.693%0.93281%0.806SS**  -146.1141.4124.4-49.70000110.2
57R37.3Very low37.8Very low238 Ų238132.4 Ų132.490%0.89881%0.81SS**  trans-86169.7174.5-83.6171.3144.2163.8-7.4111.9
58S35.8Very low38.1Very low109 Ų109135.5 Ų135.576%0.76282%0.816SS**  trans83.4140.1163-55.90000114.5
59D34.1Very low38.7Very low133 Ų133139.2 Ų139.271%0.71181%0.81SS**  cis-159.8163.125.9-141.9-87.4000109.1
60E42.7Very low39.1Very low173 Ų173138.6 Ų138.681%0.80881%0.805SS**  trans-59.8154.1178.941.3-111.464.600117.1
61G35Very low39.4Very low81 Ų81138.6 Ų138.684%0.83580%0.798SS**  trans-178.5103.5171.300000113.9
62A36.1Very low39.9Very low99 Ų99138.3 Ų138.382%0.81880%0.797SS**  trans-75.1165.517900000114.3
63C33.4Very low41.3Very low116 Ų116134.9 Ų134.978%0.78480%0.797SS**  trans111.3112.4144.490.60000120.6
64M38.6Very low41.5Very low186 Ų186136.2 Ų136.292%0.91680%0.798SS**  64.6146.4125.2-63.8-66.4144.200123.7
65A42.6Very low42.7Very low86 Ų86137.3 Ų137.371%0.71180%0.799SS**  trans85.5102.7160.500000116.6
66S44Very low43.3Very low112 Ų112135.4 Ų135.478%0.78379%0.789SS**  74.8105.690.8-620000112.9
67D46.1Very low44Very low167 Ų167136.9 Ų136.989%0.89379%0.787SS**  -169.7130110.1-106.3-37.4000112
68Q45.5Very low44.7Very low191 Ų191131.3 Ų131.389%0.89378%0.784SS**  trans-95.3103.7-176.1-161.9156.134.400106.3
69K48.3Very low45.9Very low158 Ų158132.5 Ų132.569%0.68778%0.782SS**  trans-109.195.6176.3-149.9152.4-177.8165.70110.6Y71K69-Y71 HydrophobicContact CB-CE2 4.12Å; K69-Y71 HydrophobicContact CD-CE1 4.16Å; K69-Y71 WeakPolarHBondContact CD-OH 3.34Å; K69-Y71 HydrophobicContact CG-CE1 3.74Å; K69-Y71 HydrophobicContact CG-CE2 4.2Å; K69-Y71 WeakPolarHBondContact CG-OH 3.42Å; K69-Y71 WeakPolarHBondContact O-CD2 3.43Å; K69-Y71 WeakPolarHBondContact O-CE2 3.5Å
70S41.2Very low46.7Very low92 Ų92133.6 Ų133.664%0.64379%0.788SS**  trans-63.5132.3166.4164.70000109.8
71Y47.9Very low47.3Very low179 Ų179132.7 Ų132.770%0.70279%0.789SS**  trans-131.777165.2-45.5-83.3000107.4K69K69-Y71 HydrophobicContact CB-CE2 4.12Å; K69-Y71 HydrophobicContact CD-CE1 4.16Å; K69-Y71 WeakPolarHBondContact CD-OH 3.34Å; K69-Y71 HydrophobicContact CG-CE1 3.74Å; K69-Y71 HydrophobicContact CG-CE2 4.2Å; K69-Y71 WeakPolarHBondContact CG-OH 3.42Å; K69-Y71 WeakPolarHBondContact O-CD2 3.43Å; K69-Y71 WeakPolarHBondContact O-CE2 3.5Å
72D50Low48.3Very low148 Ų148135.9 Ų135.979%0.79179%0.787SS**  trans-88.4111.3161.9-88.2-61.1000107.7
73S61.9Low49Very low120 Ų120135.7 Ų135.784%0.83978%0.779SS**  trans-105.887165.5-68.40000108.1
74D52.1Low49.5Very low144 Ų144138.1 Ų138.177%0.7778%0.776SS**  trans-77.6126.4159.1-17813.7000108.2G76D74-G76 PolarHBondContact OD1-N 2.66Å
75S60.8Low49.7Very low119 Ų119139.4 Ų139.483%0.83277%0.771SS**  trans-143.577.3166.6-66.50000107
76G46.1Very low49.8Very low54 Ų54141.3 Ų141.356%0.55777%0.769SS**  trans-76.1159.8166.500000114D74D74-G76 PolarHBondContact OD1-N 2.66Å
77L44.9Very low49.7Very low170 Ų170141.1 Ų141.189%0.8977%0.774SS**  trans79.3111.2147.1-49.9-179.3000119.3
78S52.5Low49.6Very low120 Ų120138 Ų13884%0.83976%0.761SS**  -152.9105.5118.7-170.90000109.3
79D60Low48.9Very low135 Ų135134.8 Ų134.872%0.72276%0.758SS**  trans-84.8174151.1-90.4-64.6000108.9
80D51.9Low48.6Very low156 Ų156136.3 Ų136.383%0.83476%0.764SS**  trans90.4104.1171.4-54.6-50000117.8
81N54.2Low48.3Very low154 Ų154136.9 Ų136.982%0.82477%0.769SS**  -171.9102.9105.1-170.625.3000111.4
82D55.7Low48Very low148 Ų148137 Ų13779%0.79178%0.776SS**  trans-95.7122.8156.4-176.4-84.9000108.3
83S50.5Low47.6Very low94 Ų94139.3 Ų139.366%0.65778%0.779SS**  trans-167105.4147.1-88.90000113
84K45.4Very low46.5Very low167 Ų167140.5 Ų140.573%0.72678%0.776SS**  81.9104111.5-159.4168.7-173.8177.30119.6
85R43.2Very low45.7Very low213 Ų213145 Ų14580%0.80478%0.782SS**  62.1152.9123.1-65.7-174.7-177.8-132.2-0.9117.8
86L44.4Very low45.1Very low127 Ų127147 Ų14767%0.66578%0.783SS**  cis-172.9144.63.1-108.1163.8000104.1V88L86-V88 HydrophobicContact CD2-CG2 3.93Å
87A40.7Very low45.4Very low108 Ų108150.4 Ų150.489%0.89380%0.796SS**  trans-142.4106.2149.400000108.5
88V43.5Very low45.3Very low101 Ų101146.8 Ų146.861%0.61279%0.79SS**  trans-99.1145.9169.9157.70000107.4L86L86-V88 HydrophobicContact CD2-CG2 3.93Å
89C32.8Very low44.8Very low124 Ų124146.6 Ų146.684%0.83879%0.789SS**  trans-175.8104.5133.1-91.40000107.2
90K40.3Very low43.7Very low189 Ų189147.2 Ų147.282%0.82279%0.792SS**  63.2114.184.1-88.4-168.8174.2-1790116.2
91S35.3Very low43.3Very low105 Ų105144.8 Ų144.873%0.73478%0.782SS**  173.7110.3118.6-103.40000108.6
92E41.9Very low42.8Very low182 Ų182144.8 Ų144.885%0.8578%0.782SS**  60.8114.490-67.3-165.4121.100115.3
93K41.3Very low42.1Very low196 Ų196145.3 Ų145.385%0.85278%0.779SS**  158.8117.5108.1-168.9164.4-177.8174.30113.9
94N38.3Very low41.8Very low145 Ų145147.8 Ų147.878%0.77578%0.78SS**  trans-7.8139.3157.1-66.5-68.1000120.7
95R36.8Very low41.7Very low239 Ų239144.9 Ų144.990%0.90278%0.781SS**  159125.1107.4-83.6-174.8-177.5-170.8-1111.8
96D48Very low42Very low159 Ų159141.1 Ų141.185%0.8578%0.777SS**  trans-78.5157.1150.4-57-67.4000108.8
97P52.6Low41.7Very low127 Ų127142.7 Ų142.783%0.82578%0.78SS**  -151.9174.97736.8-14.3000116.7
98A41.3Very low42Very low93 Ų93144.8 Ų144.877%0.76978%0.777SS**  trans-72.8163.2175.100000114.9
99S43.4Very low42.2Very low117 Ų117146.7 Ų146.782%0.81878%0.779SS**  trans129.1144.3167.371.90000109.6
100D37.3Very low43.1Very low147 Ų147147.2 Ų147.279%0.78678%0.779SS**  cis-179.7167.3-3.8-148.7-28.5000105.3
101V43.6Very low43.4Very low105 Ų105144.5 Ų144.564%0.63677%0.773SS**  trans76115.3149.91750000122.2
102L43Very low44.1Very low155 Ų155148.5 Ų148.581%0.81278%0.78SS**  trans47.5146.6131.8-68.3135.9000120
103E41.7Very low44.3Very low159 Ų159148 Ų14874%0.74378%0.777SS**  cis-170.4148.138.3-151-164.8-162.500111.5
104E43.1Very low44.4Very low145 Ų145143.3 Ų143.368%0.67877%0.769SS**  trans20.7129.7144.8-157.4-175.713500123.4
105S42.7Very low44.4Very low106 Ų106142.4 Ų142.474%0.74177%0.769SS**  -168.3110.6126.8-90.50000113.8
106L50Low44.6Very low135 Ų135135 Ų13571%0.70776%0.759SS**  trans81.4112.7132.3-56.1174.7000121.2
107Q38Very low44.6Very low159 Ų159133.7 Ų133.774%0.74376%0.757SS**  trans-10.9138.9145.4-85.37715.300117.7
108D46.5Very low44.5Very low153 Ų153135 Ų13582%0.81876%0.756SS**  -158.1139.5101.1-164.241.9000111.7
109E48.5Very low44.7Very low140 Ų140137.5 Ų137.565%0.65476%0.757SS**  trans-85.6148.5-179.5-59.3-95.2111.700109.1
110T51.5Low44.7Very low136 Ų136135.7 Ų135.783%0.83475%0.749SS**  trans-165.9100.2140.813.70000110.1
111D47.7Very low44.9Very low132 Ų132138.5 Ų138.571%0.70675%0.754SS**  trans-61.2144.9154.6-66.8-60.6000110.3
112H50Low44.6Very low188 Ų188136.8 Ų136.887%0.8776%0.758SS**  trans-154.3101.3139.1-101-58.3000111.6
113E45.8Very low44.6Very low171 Ų171137.8 Ų137.880%0.79976%0.763SS**  trans-58.6145.4150.8166.8162.482.800111.8
114S43.4Very low45Very low99 Ų99135.4 Ų135.469%0.69276%0.764SS**  trans162.6108.2136.2-720000112
115T38.5Very low44.7Very low126 Ų126136.2 Ų136.277%0.77377%0.773SS**  79.2120.2102.167.30000118.7
116A41Very low44.7Very low84 Ų84136.9 Ų136.969%0.69478%0.777SS**  85.2126.412600000122.9
117V47.8Very low44.3Very low130 Ų130138.2 Ų138.279%0.78878%0.779SS**  trans73.4121.3138.8-62.80000123
118D50.6Low45.1Very low154 Ų154136.4 Ų136.482%0.82478%0.781SS**  169.999.9122.8-91.3-47.1000108.2
119N45Very low44.7Very low147 Ų147135.6 Ų135.679%0.78678%0.777SS**  46.3100.479.4-161.444.7000116.6
120A43.9Very low44.6Very low79 Ų79136.6 Ų136.665%0.65379%0.785SS**  170.6120.1119.900000114.6
121K41.8Very low44.3Very low205 Ų205134.4 Ų134.489%0.89178%0.775SS**  66127.3127-62.3-172.3-178.2-179.50122.9
122G36.6Very low43.8Very low69 Ų69135.2 Ų135.271%0.71178%0.779SS**  trans135.374.1144.300000113.8
123L42.6Very low43.8Very low177 Ų177132.1 Ų132.193%0.92778%0.779SS**  45.910989.4-73.7165.7000115.1
124S49.3Very low43.7Very low108 Ų108131.3 Ų131.376%0.75578%0.78SS**  170.7104.1121.6-174.70000111.6
125D38.7Very low43.7Very low162 Ų162133.6 Ų133.687%0.86679%0.785SS**  trans-61.9149.3150.6-76.6-59.8000110.1
126C40.8Very low44.1Very low121 Ų121135.6 Ų135.682%0.81879%0.79SS**  trans-162.2104.8153-89.50000110.6
127E43.4Very low44.3Very low163 Ų163138.7 Ų138.776%0.76280%0.795SS**  trans-65.4156.9145.6-79.2-136.511700110.4
128P53.5Low44.3Very low121 Ų121140.9 Ų140.979%0.78680%0.796SS**  trans-112.1104155.132.2-17.8000110.6
129N38Very low44Very low135 Ų135137.8 Ų137.872%0.72279%0.792SS**  trans-91.7122.3150.8-107.1-73000107.2
130I46.8Very low44.1Very low162 Ų162136 Ų13683%0.83179%0.791SS**  trans-109.7124.4163.9-69.2-163.7000107.9
131S45.3Very low43.6Very low89 Ų89137.8 Ų137.862%0.62280%0.798SS**  trans-88.3167.2178.9-52.20000112.6
132D38.1Very low43.8Very low149 Ų149134.1 Ų134.180%0.79779%0.788SS**  trans94.7108.7150.2-59.3-31.1000119.4
133S48.6Very low44.4Very low124 Ų124140.2 Ų140.287%0.86780%0.795SS**  -159.5135.2115.6-78.90000112
134N44.9Very low44.8Very low154 Ų154136.9 Ų136.982%0.82479%0.786SS**  trans-56.7145.6178.2-62-55.8000114
135N41.9Very low44.6Very low146 Ų146136.6 Ų136.678%0.78178%0.784SS**  trans-157.1121.5131.5-125.3-32.5000112.2
136L47.3Very low45.1Very low168 Ų168137 Ų13788%0.8879%0.786SS**  trans-98.3114.2165.9-82.5160.4000105.8
137D44.6Very low45.9Very low149 Ų149138.1 Ų138.180%0.79778%0.779SS**  trans-141.5122.8159.1-75.8-57.8000109.2
138E48.8Very low46.5Very low177 Ų177135.4 Ų135.483%0.82778%0.776SS**  trans-95128.7179.8-151.6-75.7123.300107.5
139A45.2Very low46.9Very low89 Ų89139.1 Ų139.174%0.73678%0.78SS**  trans-177.7104.5151.200000111.8
140S46.3Very low48.1Very low110 Ų110141.4 Ų141.477%0.76979%0.786SS**  trans1.6129.8140.8-173.90000119.3
141C34Very low49Very low116 Ų116145 Ų14578%0.78479%0.789SS**  -172.3115.9124179.90000111.5
142D45.4Very low50.4Low127 Ų127150.6 Ų150.668%0.67980%0.802SS**  trans-40.2128.9161.6-175.9-94.5000114.1
143K49.2Very low52.3Low198 Ų198153.2 Ų153.286%0.86181%0.807SS**  trans-154.6110134-77.1-142176.5-168.90111.1
144S50.5Low53.8Low106 Ų106159 Ų15974%0.74181%0.81SS**  trans-53.8126.3164.141.80000112.8
145S44.6Very low55.7Low102 Ų102157.1 Ų157.171%0.71381%0.808SS**  trans-151.383.6151.1-1650000108.1Q147S145-Q147 PolarHBondContact O-N 2.77Å
146D49.2Very low57.9Low172 Ų172161.4 Ų161.492%0.9281%0.813SS**  trans-72.174.5169.4-114.7-35.2000108.8
147Q58.7Low59.9Low143 Ų143158.1 Ų158.167%0.66881%0.81SS**  trans-85.5123.2162.8-78.3-87.614.800107.2S145 K149S145-Q147 PolarHBondContact O-N 2.77Å; Q147-K149 PolarHBondContact O-N 3.49Å
148P56Low62.3Low106 Ų106155.5 Ų155.569%0.68881%0.81SS**  trans-63103.5176.125.1-31.3000107.9Q150P148-Q150 VanDerWaalsContact C-N 3.27Å; P148-Q150 PolarHBondContact O-N 2.94Å
149K61.4Low64.7Low200 Ų200150.3 Ų150.387%0.8778%0.784SS**  trans-54.493.8173.4-80.7175-179.5170.50108Q147 R151Q147-K149 PolarHBondContact O-N 3.49Å; K149-R151 PolarHBondContact O-N 3.03Å
150Q63.7Low67.2Low182 Ų182148.9 Ų148.985%0.8577%0.769SS**  trans-55.6106.7172.1-70.9-172.1-5.700106.6P148 K152P148-Q150 VanDerWaalsContact C-N 3.27Å; P148-Q150 PolarHBondContact O-N 2.94Å; Q150-K152 PolarHBondContact O-N 2.96Å
151R66.1Low69.7Low239 Ų239151.3 Ų151.390%0.90277%0.768SS**  trans-57.9102.5-179.7-65.117586.6178.86.9106.9K149 K153K149-R151 PolarHBondContact O-N 3.03Å; R151-K153 PolarHBondContact O-N 3.13Å
152K73.4Confident72.7Confident206 Ų206149.1 Ų149.190%0.89676%0.758SS**  trans-54.5110.7-179.3-66.2178.2-178.5179.60107.7Q150 R154Q150-K152 PolarHBondContact O-N 2.96Å; K152-R154 PolarHBondContact O-N 3.12Å; K152-R154 VanDerWaalsContact O-N 3.17Å
153K78.6Confident75.3Confident204 Ų204144.9 Ų144.989%0.88773%0.734SS**  trans-58.5120.5176.7-73.3169.2178.6170.80107.2R151 S155R151-K153 PolarHBondContact O-N 3.13Å; K153-S155 PolarHBondContact O-N 3.18Å; K153-S155 VanDerWaalsContact O-N 3.08Å
154R79.3Confident77.6Confident246 Ų246137.3 Ų137.393%0.92871%0.705SS**  trans-61.2115.1-179.3-149.3173.4-165.5178.43.5108K152K152-R154 PolarHBondContact O-N 3.12Å; K152-R154 VanDerWaalsContact O-N 3.17Å
155S84.7Confident79.9Confident113 Ų113138.1 Ų138.179%0.7970%0.695SS**PPolyproline II helixtrans-60.3141.2176.3-173.90000109.6K153K153-S155 PolarHBondContact O-N 3.18Å; K153-S155 VanDerWaalsContact O-N 3.08Å
156R89.1Confident82.5Confident236 Ų236134.9 Ų134.989%0.89167%0.669SS**PPolyproline II helixtrans-76.7126177.9-62.917890.2155.75.3108.2
157A89.4Confident84.8Confident99 Ų99126.7 Ų126.782%0.81863%0.625SS**PPolyproline II helixtrans-68.9135.9172.600000110.3
158A95.2Very high86.7Confident95 Ų95123 Ų12379%0.78561%0.608SS**PPolyproline II helixtrans-101.7151.2172.900000110.4
159F97.9Very high88.8Confident67 Ų67124.1 Ų124.129%0.29460%0.598SS.*PPolyproline II helixtrans-79148.4171.8-57.8-44.5000110.4Q163 V164 L191 Q195 W199F159-Q163 HydrophobicContact CB-CB 4.28Å; F159-V164 HydrophobicContact CB-CG2 3.99Å; F159-L191 HydrophobicContact CD1-CD1 4.24Å; F159-L191 HydrophobicContact CD1-CD2 3.78Å; F159-L191 HydrophobicContact CE1-CD1 4.23Å; F159-L191 HydrophobicContact CE1-CD2 3.75Å; F159-Q195 HydrophobicContact CE1-CB 4.3Å; F159-Q195 HydrophobicContact CE1-CG 4.34Å; F159-Q195 HydrophobicContact CZ-CB 3.99Å; F159-Q195 HydrophobicContact CZ-CG 4.26Å; F159-W199 AromaticContact CD2-CD1 3.77Å; F159-W199 HydrophobicContact CE2-CB 4.37Å; F159-W199 AromaticContact CE2-CD1 3.71Å; F159-W199 HydrophobicContact CE2-CG 4.4Å
160S98.4Very high90.5Very high59 Ų59120.7 Ų120.741%0.41358%0.58SS.*PPolyproline II helixtrans-68.1160.4174.7940000111.1A162 Q163 V164S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.46Å; S160-A162 PolarHBondContact OG-N 2.99Å; S160-Q163 WeakPolarHBondContact O-CB 3.46Å; S160-Q163 PolarHBondContact O-N 3.25Å; S160-Q163 PolarHBondContact OG-N 3.18Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 2.88Å
161H98.4Very high92.2Very high162 Ų162112.2 Ų112.275%0.7554%0.54SS*.Hα-helixtrans-59.6-43.7177.4-171.969.5000112.3Q163 V164 F165H161-Q163 VanDerWaalsContact C-N 3.3Å; H161-Q163 PolarHBondContact O-N 3.37Å; H161-V164 PolarHBondContact O-N 3.02Å; H161-F165 WeakPolarHBondContact O-CB 3.49Å; H161-F165 PolarHBondContact O-N 3.21Å
162A98.3Very high93.7Very high70 Ų70106 Ų10658%0.57953%0.525SS*.Hα-helixtrans-60.8-38.817700000112.4S160 F165 E166S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.46Å; S160-A162 PolarHBondContact OG-N 2.99Å; A162-F165 PolarHBondContact O-N 3.25Å; A162-E166 PolarHBondContact O-N 3.47Å
163Q98.6Very high94.9Very high37 Ų37103.3 Ų103.317%0.17352%0.515CS..Hα-helixtrans-64.3-45.6175.1-70.4174.7-35.800111.3F159 S160 H161 F165 L167 L189F159-Q163 HydrophobicContact CB-CB 4.28Å; S160-Q163 WeakPolarHBondContact O-CB 3.46Å; S160-Q163 PolarHBondContact O-N 3.25Å; S160-Q163 PolarHBondContact OG-N 3.18Å; H161-Q163 VanDerWaalsContact C-N 3.3Å; H161-Q163 PolarHBondContact O-N 3.37Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 3.39Å; Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CD1 3.37Å; Q163-L167 WeakPolarHBondContact O-CG 3.17Å; Q163-L167 PolarHBondContact O-N 3.49Å; Q163-L167 VanDerWaalsContact O-N 3.1Å; Q163-L189 PolarHBondContact NE2-O 3.48Å
164V98.6Very high95.8Very high40 Ų4097.1 Ų97.124%0.24249%0.489CS..Hα-helixtrans-62.6-41.5178176.20000111F159 S160 H161 L167 E168F159-V164 HydrophobicContact CB-CG2 3.99Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 2.88Å; H161-V164 PolarHBondContact O-N 3.02Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-E168 HydrophobicContact CG1-CG 4.23Å; V164-E168 WeakPolarHBondContact O-CB 3.23Å; V164-E168 WeakPolarHBondContact O-CG 3.49Å; V164-E168 PolarHBondContact O-N 3.35Å
165F98.6Very high96.7Very high123 Ų12391.6 Ų91.654%0.53947%0.468SS..Hα-helixtrans-58.1-51.4179.1175.1-96.8000112.3H161 A162 Q163 L167 E168 R169H161-F165 WeakPolarHBondContact O-CB 3.49Å; H161-F165 PolarHBondContact O-N 3.21Å; A162-F165 PolarHBondContact O-N 3.25Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 3.39Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.87Å; F165-E168 PolarHBondContact O-N 3.34Å; F165-R169 WeakPolarHBondContact O-CB 3.37Å; F165-R169 PolarHBondContact O-N 3.1Å
166E98.6Very high97.4Very high34 Ų3493.3 Ų93.316%0.15946%0.458CS..Hα-helixtrans-68.7-34.3-179.4-171.760.2-145.700111.7A162 R169 R170 L185 L189A162-E166 PolarHBondContact O-N 3.47Å; E166-R169 PolarHBondContact O-N 3.5Å; E166-R169 IonicContact OE1-NH1 3.59Å; E166-R169 WeakPolarHBondContact OE2-CD 3.27Å; E166-R169 IonicContact OE2-NH1 3.24Å; E166-R169 PolarHBondContact OE2-NH1 2.84Å; E166-R170 WeakPolarHBondContact O-CB 3.37Å; E166-R170 WeakPolarHBondContact O-CG 3.48Å; E166-R170 PolarHBondContact O-N 2.96Å; E166-R170 IonicContact OE1-NE 3.3Å; E166-R170 PolarHBondContact OE1-NE 3.21Å; E166-L185 HydrophobicContact CG-CD1 4.34Å; E166-L189 HydrophobicContact CB-CD1 4.37Å; E166-L189 HydrophobicContact CB-CD2 3.78Å; E166-L189 HydrophobicContact CG-CD2 3.93Å
167L98.8Very high97.8Very high0 Ų083.3 Ų83.30%042%0.423CS..Hα-helixtrans-60.6-44.2171.6-72.9166.3000111.7Q163 V164 F165 F171 L185 L189 L191 V196 W199 F200Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CD1 3.37Å; Q163-L167 WeakPolarHBondContact O-CG 3.17Å; Q163-L167 PolarHBondContact O-N 3.49Å; Q163-L167 VanDerWaalsContact O-N 3.1Å; V164-L167 PolarHBondContact O-N 3.18Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.87Å; L167-F171 VanDerWaalsContact O-CB 3.29Å; L167-F171 WeakPolarHBondContact O-CB 3.37Å; L167-F171 PolarHBondContact O-N 2.85Å; L167-L185 HydrophobicContact CD2-CD2 4.04Å; L167-L189 HydrophobicContact CD1-CD1 4.48Å; L167-L189 HydrophobicContact CD2-CD1 3.84Å; L167-L189 HydrophobicContact CG-CD1 3.69Å; L167-L191 HydrophobicContact CD1-CD1 4.25Å; L167-V196 HydrophobicContact CD2-CG1 4.26Å; L167-W199 HydrophobicContact CB-CD2 3.96Å; L167-W199 HydrophobicContact CB-CE3 3.92Å; L167-W199 HydrophobicContact CB-CH2 3.66Å; L167-W199 HydrophobicContact CB-CZ2 3.66Å; L167-W199 HydrophobicContact CB-CZ3 3.78Å; L167-W199 HydrophobicContact CD1-CD2 3.87Å; L167-W199 HydrophobicContact CD1-CE3 4.5Å; L167-W199 HydrophobicContact CD1-CG 3.86Å; L167-W199 HydrophobicContact CD2-CD2 4.36Å; L167-W199 HydrophobicContact CD2-CE3 4.23Å; L167-W199 HydrophobicContact CG-CD2 4.29Å; L167-W199 HydrophobicContact CG-CE3 4.45Å; L167-F200 HydrophobicContact CD2-CE2 3.96Å
168E98.6Very high98.2Very high65 Ų6581.2 Ų81.230%0.30440%0.402SS..Hα-helixtrans-67.3-42.4176.5-72.7-166148.600112V164 F165 R170 F171 N172 W199 R203V164-E168 HydrophobicContact CG1-CG 4.23Å; V164-E168 WeakPolarHBondContact O-CB 3.23Å; V164-E168 WeakPolarHBondContact O-CG 3.49Å; V164-E168 PolarHBondContact O-N 3.35Å; F165-E168 PolarHBondContact O-N 3.34Å; E168-R170 PolarHBondContact O-N 3.44Å; E168-F171 PolarHBondContact O-N 2.9Å; E168-N172 VanDerWaalsContact O-CG 3.24Å; E168-N172 PolarHBondContact O-N 2.94Å; E168-N172 PolarHBondContact O-OD1 3.08Å; E168-W199 HydrophobicContact CB-CH2 4.42Å; E168-W199 HydrophobicContact CG-CH2 3.71Å; E168-W199 HydrophobicContact CG-CZ2 3.71Å; E168-R203 IonicContact OE1-CZ 3.26Å; E168-R203 VanDerWaalsContact OE1-CZ 3.26Å; E168-R203 IonicContact OE1-NH1 2.71Å; E168-R203 PolarHBondContact OE1-NH1 2.89Å; E168-R203 IonicContact OE1-NH2 3.41Å; E168-R203 PolarHBondContact OE1-NH2 3.11Å
169R98.6Very high98.4Very high129 Ų12978.4 Ų78.449%0.48738%0.382SS..Hα-helixtrans-55.4-53174-175.8-175.8178.2-154.12.5110.3F165 E166 F171 N172 H173F165-R169 WeakPolarHBondContact O-CB 3.37Å; F165-R169 PolarHBondContact O-N 3.1Å; E166-R169 PolarHBondContact O-N 3.5Å; E166-R169 IonicContact OE1-NH1 3.59Å; E166-R169 WeakPolarHBondContact OE2-CD 3.27Å; E166-R169 IonicContact OE2-NH1 3.24Å; E166-R169 PolarHBondContact OE2-NH1 2.84Å; R169-F171 PolarHBondContact O-N 3.33Å; R169-N172 PolarHBondContact O-N 3.37Å; R169-H173 PolarHBondContact O-N 3.08Å; R169-H173 PolarHBondContact O-ND1 3.5Å
170R98.4Very high98.4Very high129 Ų12979.6 Ų79.649%0.48740%0.397SS..Hα-helixtrans-61.8-41.2178.1-70.1-71174.6163.32.7112.4E166 E168 N172 H173 Q174 L185 F200E166-R170 WeakPolarHBondContact O-CB 3.37Å; E166-R170 WeakPolarHBondContact O-CG 3.48Å; E166-R170 PolarHBondContact O-N 2.96Å; E166-R170 IonicContact OE1-NE 3.3Å; E166-R170 PolarHBondContact OE1-NE 3.21Å; E168-R170 PolarHBondContact O-N 3.44Å; R170-N172 VanDerWaalsContact C-N 3.3Å; R170-N172 PolarHBondContact O-N 3.18Å; R170-H173 PolarHBondContact O-N 3.41Å; R170-Q174 PolarHBondContact O-N 3.14Å; R170-L185 HydrophobicContact CB-CD2 4.11Å; R170-L185 HydrophobicContact CG-CD1 3.86Å; R170-L185 HydrophobicContact CG-CD2 4.1Å; R170-F200 HydrophobicContact CB-CZ 4.32Å
171F98.7Very high98.4Very high3 Ų380.1 Ų80.11%0.01339%0.393CS..Hα-helixtrans-60.9-36.6177.9-178.3-96.1000113.7L167 E168 R169 H173 Q174 R175 W199 F200 R203 R204L167-F171 VanDerWaalsContact O-CB 3.29Å; L167-F171 WeakPolarHBondContact O-CB 3.37Å; L167-F171 PolarHBondContact O-N 2.85Å; E168-F171 PolarHBondContact O-N 2.9Å; R169-F171 PolarHBondContact O-N 3.33Å; F171-H173 VanDerWaalsContact C-N 3.29Å; F171-H173 PolarHBondContact O-N 2.71Å; F171-Q174 WeakPolarHBondContact CA-O 3.42Å; F171-Q174 CarbonylContact O-C 3.36Å; F171-Q174 PolarHBondContact O-N 3.27Å; F171-R175 HydrophobicContact CE1-CG 4.23Å; F171-R175 HydrophobicContact CE2-CB 4.08Å; F171-R175 HydrophobicContact CE2-CG 4.07Å; F171-R175 HydrophobicContact CZ-CB 4.31Å; F171-R175 HydrophobicContact CZ-CG 3.84Å; F171-W199 HydrophobicContact CB-CH2 4.33Å; F171-W199 HydrophobicContact CB-CZ3 4.05Å; F171-W199 HydrophobicContact CG-CZ3 4.44Å; F171-F200 HydrophobicContact CB-CE1 4.17Å; F171-F200 HydrophobicContact CB-CZ 4.35Å; F171-F200 AromaticContact CD2-CD1 3.87Å; F171-F200 HydrophobicContact CD2-CD1 3.87Å; F171-F200 AromaticContact CD2-CE1 3.89Å; F171-F200 HydrophobicContact CD2-CE1 3.89Å; F171-R203 HydrophobicContact CD1-CG 3.69Å; F171-R203 HydrophobicContact CD2-CB 4.22Å; F171-R203 HydrophobicContact CD2-CG 3.66Å; F171-R203 HydrophobicContact CE1-CG 3.69Å; F171-R203 HydrophobicContact CE2-CB 4.13Å; F171-R203 HydrophobicContact CE2-CG 3.66Å; F171-R203 HydrophobicContact CG-CG 3.67Å; F171-R203 HydrophobicContact CZ-CB 4.47Å; F171-R203 HydrophobicContact CZ-CG 3.67Å; F171-R204 HydrophobicContact CE2-CG 3.75Å; F171-R204 HydrophobicContact CZ-CG 4.19Å
172N98.2Very high98.4Very high109 Ų10975 Ų7558%0.58337%0.366SS*.Hα-helixtrans-66.6-33.7178.6-69.9-14000112E168 R169 R170E168-N172 VanDerWaalsContact O-CG 3.24Å; E168-N172 PolarHBondContact O-N 2.94Å; E168-N172 PolarHBondContact O-OD1 3.08Å; R169-N172 PolarHBondContact O-N 3.37Å; R170-N172 VanDerWaalsContact C-N 3.3Å; R170-N172 PolarHBondContact O-N 3.18Å
173H98.1Very high98.4Very high150 Ų15073.2 Ų73.269%0.69435%0.352SS*.Hα-helixtrans-76.6-44174-62.684.7000111.3R169 R170 F171R169-H173 PolarHBondContact O-N 3.08Å; R169-H173 PolarHBondContact O-ND1 3.5Å; R170-H173 PolarHBondContact O-N 3.41Å; F171-H173 VanDerWaalsContact C-N 3.29Å; F171-H173 PolarHBondContact O-N 2.71Å
174Q98.1Very high98.4Very high74 Ų7476.9 Ų76.935%0.34637%0.373SS..  trans-143.6113-173.2-175.1176.1-8.200110.9R170 F171 Y176 L177 E181R170-Q174 PolarHBondContact O-N 3.14Å; F171-Q174 WeakPolarHBondContact CA-O 3.42Å; F171-Q174 CarbonylContact O-C 3.36Å; F171-Q174 PolarHBondContact O-N 3.27Å; Q174-Y176 VanDerWaalsContact C-N 3.26Å; Q174-Y176 WeakPolarHBondContact CG-O 3.49Å; Q174-Y176 PolarHBondContact NE2-O 3.28Å; Q174-Y176 PolarHBondContact O-N 2.91Å; Q174-L177 HydrophobicContact CB-CD2 4.41Å; Q174-L177 HydrophobicContact CG-CD2 4.18Å; Q174-E181 VanDerWaalsContact NE2-CD 3.34Å; Q174-E181 PolarHBondContact NE2-OE1 3.24Å; Q174-E181 VanDerWaalsContact NE2-OE1 3.09Å; Q174-E181 PolarHBondContact NE2-OE2 2.88Å; Q174-E181 PolarHBondContact OE1-OE1 3.45Å
175R97.9Very high98.4Very high130 Ų13075.4 Ų75.449%0.49136%0.364SS..SBendtrans-73.6-16.2-176.6-72178.915482.6-2.3113.9F171 R204F171-R175 HydrophobicContact CE1-CG 4.23Å; F171-R175 HydrophobicContact CE2-CB 4.08Å; F171-R175 HydrophobicContact CE2-CG 4.07Å; F171-R175 HydrophobicContact CZ-CB 4.31Å; F171-R175 HydrophobicContact CZ-CG 3.84Å; R175-R204 WeakPolarHBondContact O-CD 3.38Å
176Y98.4Very high98.4Very high148 Ų14869.9 Ų69.958%0.5834%0.34SS*.SBendtrans-138.4117.9-175.2-64.1-102.5000109.9Q174Q174-Y176 VanDerWaalsContact C-N 3.26Å; Q174-Y176 WeakPolarHBondContact CG-O 3.49Å; Q174-Y176 PolarHBondContact NE2-O 3.28Å; Q174-Y176 PolarHBondContact O-N 2.91Å
177L98.3Very high98.4Very high27 Ų2771.9 Ų71.914%0.14136%0.363CS..  trans-96.8137.7177-60.1179.3000111.3Q174 E181 R182 L185 V196 F200Q174-L177 HydrophobicContact CB-CD2 4.41Å; Q174-L177 HydrophobicContact CG-CD2 4.18Å; L177-E181 HydrophobicContact CB-CB 4.38Å; L177-E181 HydrophobicContact CD2-CB 4.3Å; L177-R182 HydrophobicContact CB-CB 4.49Å; L177-R182 PolarHBondContact O-NH2 2.8Å; L177-L185 HydrophobicContact CD1-CD2 3.74Å; L177-V196 HydrophobicContact CD1-CG1 4.22Å; L177-F200 HydrophobicContact CD1-CD1 4.31Å; L177-F200 HydrophobicContact CD1-CD2 4.14Å; L177-F200 HydrophobicContact CD1-CE1 3.76Å; L177-F200 HydrophobicContact CD1-CE2 3.57Å; L177-F200 HydrophobicContact CD1-CG 4.49Å; L177-F200 HydrophobicContact CD1-CZ 3.37Å; L177-F200 HydrophobicContact CD2-CE1 4.28Å; L177-F200 HydrophobicContact CD2-CZ 4.39Å; L177-F200 HydrophobicContact CG-CD1 4.12Å; L177-F200 HydrophobicContact CG-CE1 3.64Å; L177-F200 HydrophobicContact CG-CE2 4.36Å; L177-F200 HydrophobicContact CG-CZ 3.79Å
178S98.4Very high98.4Very high55 Ų5575.7 Ų75.739%0.38539%0.389SS..  trans-67.4174.9166.568.10000111.5E181 R182S178-E181 VanDerWaalsContact CB-OE2 3.27Å; S178-E181 WeakPolarHBondContact CB-OE2 3.29Å; S178-E181 PolarHBondContact N-OE2 3.39Å; S178-E181 VanDerWaalsContact OG-CG 3.23Å; S178-E181 WeakPolarHBondContact OG-CG 3.48Å; S178-E181 PolarHBondContact OG-OE2 2.99Å; S178-R182 VanDerWaalsContact O-CB 3.32Å; S178-R182 WeakPolarHBondContact O-CB 3.39Å; S178-R182 PolarHBondContact O-N 3.37Å
179G98.3Very high98.4Very high35 Ų3573.6 Ų73.636%0.36138%0.38SS..Hα-helixtrans-59.2-56.8177.300000112.7E181 R182 A183G179-E181 PolarHBondContact O-N 3.41Å; G179-R182 WeakPolarHBondContact O-CB 3.19Å; G179-R182 PolarHBondContact O-N 3.42Å; G179-A183 PolarHBondContact O-N 3.31Å; G179-A183 VanDerWaalsContact O-N 3.13Å
180P98.4Very high98.3Very high93 Ų9376.7 Ų76.760%0.60440%0.397SS*.Hα-helixtrans-59.6-48-178.8-25.735.4000113.3R182 A183 D184P180-R182 PolarHBondContact O-N 2.9Å; P180-R182 VanDerWaalsContact O-N 3.12Å; P180-A183 WeakPolarHBondContact O-CA 3.36Å; P180-A183 WeakPolarHBondContact O-CB 3.44Å; P180-A183 PolarHBondContact O-N 3.22Å; P180-D184 PolarHBondContact O-N 3.44Å
181E98.4Very high98.3Very high70 Ų7071.6 Ų71.633%0.32738%0.379SS..Hα-helixtrans-59.1-32.1179.1-66165.4145.700112.4Q174 L177 S178 G179 L185Q174-E181 VanDerWaalsContact NE2-CD 3.34Å; Q174-E181 PolarHBondContact NE2-OE1 3.24Å; Q174-E181 VanDerWaalsContact NE2-OE1 3.09Å; Q174-E181 PolarHBondContact NE2-OE2 2.88Å; Q174-E181 PolarHBondContact OE1-OE1 3.45Å; L177-E181 HydrophobicContact CB-CB 4.38Å; L177-E181 HydrophobicContact CD2-CB 4.3Å; S178-E181 VanDerWaalsContact CB-OE2 3.27Å; S178-E181 WeakPolarHBondContact CB-OE2 3.29Å; S178-E181 PolarHBondContact N-OE2 3.39Å; S178-E181 VanDerWaalsContact OG-CG 3.23Å; S178-E181 WeakPolarHBondContact OG-CG 3.48Å; S178-E181 PolarHBondContact OG-OE2 2.99Å; G179-E181 PolarHBondContact O-N 3.41Å; E181-L185 WeakPolarHBondContact O-CB 3.35Å; E181-L185 PolarHBondContact O-N 3.02Å; E181-L185 VanDerWaalsContact O-N 3.13Å
182R98.7Very high98.3Very high53 Ų5375.1 Ų75.120%0.240%0.401CS..Hα-helixtrans-71.2-40176.1-166.5-173.2-49.6127.88.2111.6L177 S178 G179 P180 D184 L185 A186 E193 V196L177-R182 HydrophobicContact CB-CB 4.49Å; L177-R182 PolarHBondContact O-NH2 2.8Å; S178-R182 VanDerWaalsContact O-CB 3.32Å; S178-R182 WeakPolarHBondContact O-CB 3.39Å; S178-R182 PolarHBondContact O-N 3.37Å; G179-R182 WeakPolarHBondContact O-CB 3.19Å; G179-R182 PolarHBondContact O-N 3.42Å; P180-R182 PolarHBondContact O-N 2.9Å; P180-R182 VanDerWaalsContact O-N 3.12Å; R182-D184 VanDerWaalsContact C-N 3.34Å; R182-L185 PolarHBondContact O-N 3.08Å; R182-A186 WeakPolarHBondContact O-CB 3.18Å; R182-A186 PolarHBondContact O-N 3.36Å; R182-E193 WeakPolarHBondContact CD-O 3.32Å; R182-E193 HydrophobicContact CG-CB 4.41Å; R182-V196 HydrophobicContact CG-CB 3.85Å; R182-V196 HydrophobicContact CG-CG1 3.71Å
183A98.6Very high98.3Very high33 Ų3374.4 Ų74.427%0.27339%0.394SS..Hα-helixtrans-61.7-44.6176.100000110.7G179 P180 L185 A186 A187 E193G179-A183 PolarHBondContact O-N 3.31Å; G179-A183 VanDerWaalsContact O-N 3.13Å; P180-A183 WeakPolarHBondContact O-CA 3.36Å; P180-A183 WeakPolarHBondContact O-CB 3.44Å; P180-A183 PolarHBondContact O-N 3.22Å; A183-L185 PolarHBondContact O-N 2.97Å; A183-A186 WeakPolarHBondContact O-CB 3.12Å; A183-A186 PolarHBondContact O-N 2.92Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.46Å; A183-E193 HydrophobicContact CB-CG 4.27Å
184D98.5Very high98.4Very high115 Ų11571.5 Ų71.562%0.61539%0.387SS*.Hα-helixtrans-61.6-46.9177.9-63.2-22.6000111.9P180 R182 A186 A187 S188P180-D184 PolarHBondContact O-N 3.44Å; R182-D184 VanDerWaalsContact C-N 3.34Å; D184-A186 VanDerWaalsContact C-N 3.35Å; D184-A186 PolarHBondContact O-N 3.05Å; D184-A187 PolarHBondContact O-N 3.45Å; D184-S188 PolarHBondContact O-N 3.29Å
185L98.4Very high98.4Very high9 Ų971.2 Ų71.25%0.04739%0.386CS..Hα-helixtrans-65.3-40.7178.5-173.157.6000111.6E166 L167 R170 L177 E181 R182 A183 S188 L189 V196 F200E166-L185 HydrophobicContact CG-CD1 4.34Å; L167-L185 HydrophobicContact CD2-CD2 4.04Å; R170-L185 HydrophobicContact CB-CD2 4.11Å; R170-L185 HydrophobicContact CG-CD1 3.86Å; R170-L185 HydrophobicContact CG-CD2 4.1Å; L177-L185 HydrophobicContact CD1-CD2 3.74Å; E181-L185 WeakPolarHBondContact O-CB 3.35Å; E181-L185 PolarHBondContact O-N 3.02Å; E181-L185 VanDerWaalsContact O-N 3.13Å; R182-L185 PolarHBondContact O-N 3.08Å; A183-L185 PolarHBondContact O-N 2.97Å; L185-S188 PolarHBondContact O-N 3.4Å; L185-S188 PolarHBondContact O-OG 3.37Å; L185-L189 HydrophobicContact CD1-CD1 3.8Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.07Å; L185-L189 VanDerWaalsContact O-N 3.09Å; L185-V196 HydrophobicContact CD2-CG1 4.06Å; L185-F200 HydrophobicContact CD2-CE2 3.93Å; L185-F200 HydrophobicContact CD2-CZ 4.21Å
186A98.6Very high98.4Very high6 Ų665 Ų655%0.0536%0.363CS..Hα-helixtrans-60.1-45.5176.400000111.5R182 A183 D184 L189 K190 L191 E193 V196R182-A186 WeakPolarHBondContact O-CB 3.18Å; R182-A186 PolarHBondContact O-N 3.36Å; A183-A186 WeakPolarHBondContact O-CB 3.12Å; A183-A186 PolarHBondContact O-N 2.92Å; D184-A186 VanDerWaalsContact C-N 3.35Å; D184-A186 PolarHBondContact O-N 3.05Å; A186-L189 PolarHBondContact O-N 3.02Å; A186-K190 PolarHBondContact O-N 3.42Å; A186-L191 CarbonylContact C-O 3.53Å; A186-L191 WeakPolarHBondContact CB-O 3.35Å; A186-L191 PolarHBondContact O-N 3.33Å; A186-E193 HydrophobicContact CB-CG 4.19Å; A186-V196 HydrophobicContact CB-CG2 4Å
187A98.5Very high98.4Very high77 Ų7763.4 Ų63.464%0.63636%0.359SS*.Hα-helixtrans-60.2-46.8176.300000111.9A183 D184 L189 K190A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.46Å; D184-A187 PolarHBondContact O-N 3.45Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-L189 PolarHBondContact O-N 3.38Å; A187-K190 PolarHBondContact O-N 3Å
188S98.2Very high98.4Very high79 Ų7966.1 Ų66.155%0.55237%0.372SS*.Hα-helixtrans-63.8-35.4-179.670.60000113.7D184 L185D184-S188 PolarHBondContact O-N 3.29Å; L185-S188 PolarHBondContact O-N 3.4Å; L185-S188 PolarHBondContact O-OG 3.37Å
189L97.9Very high98.4Very high22 Ų2265 Ų6512%0.11536%0.36CS..Hα-helixtrans-95.4-0.7-176.8-61.5-177.7000114.2Q163 E166 L167 L185 A186 A187 L191Q163-L189 PolarHBondContact NE2-O 3.48Å; E166-L189 HydrophobicContact CB-CD1 4.37Å; E166-L189 HydrophobicContact CB-CD2 3.78Å; E166-L189 HydrophobicContact CG-CD2 3.93Å; L167-L189 HydrophobicContact CD1-CD1 4.48Å; L167-L189 HydrophobicContact CD2-CD1 3.84Å; L167-L189 HydrophobicContact CG-CD1 3.69Å; L185-L189 HydrophobicContact CD1-CD1 3.8Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.07Å; L185-L189 VanDerWaalsContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 3.02Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-L189 PolarHBondContact O-N 3.38Å; L189-L191 HydrophobicContact CB-CD1 4.15Å; L189-L191 HydrophobicContact CB-CG 4.1Å; L189-L191 PolarHBondContact O-N 2.89Å
190K98.3Very high98.4Very high194 Ų19463.7 Ų63.784%0.84334%0.344SS*.THydrogen-bonded Turntrans54.542.8-174-54.7177.5-178.8175.70111.8A186 A187A186-K190 PolarHBondContact O-N 3.42Å; A187-K190 PolarHBondContact O-N 3Å
191L98.1Very high98.5Very high21 Ų2164.4 Ų64.411%0.1134%0.34CS..  trans-115166.6175.5-64.7-179.7000109.6F159 L167 A186 L189 Q195 V196F159-L191 HydrophobicContact CD1-CD1 4.24Å; F159-L191 HydrophobicContact CD1-CD2 3.78Å; F159-L191 HydrophobicContact CE1-CD1 4.23Å; F159-L191 HydrophobicContact CE1-CD2 3.75Å; L167-L191 HydrophobicContact CD1-CD1 4.25Å; A186-L191 CarbonylContact C-O 3.53Å; A186-L191 WeakPolarHBondContact CB-O 3.35Å; A186-L191 PolarHBondContact O-N 3.33Å; L189-L191 HydrophobicContact CB-CD1 4.15Å; L189-L191 HydrophobicContact CB-CG 4.1Å; L189-L191 PolarHBondContact O-N 2.89Å; L191-Q195 HydrophobicContact CB-CB 4.42Å; L191-V196 HydrophobicContact CB-CG2 4.28Å
192T98.6Very high98.5Very high77 Ų7765.5 Ų65.547%0.47235%0.348SS..  trans-84.8151.1170.470.50000111T194 Q195 V196T192-T194 PolarHBondContact O-N 3.29Å; T192-T194 VanDerWaalsContact O-N 3.14Å; T192-Q195 WeakPolarHBondContact O-CB 3.44Å; T192-Q195 PolarHBondContact O-N 3.05Å; T192-Q195 VanDerWaalsContact OG1-CG 3.32Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.47Å; T192-Q195 PolarHBondContact OG1-N 2.94Å; T192-Q195 PolarHBondContact OG1-OE1 2.89Å; T192-V196 PolarHBondContact O-N 3.28Å; T192-V196 VanDerWaalsContact O-N 3.08Å
193E98.5Very high98.4Very high94 Ų9465.1 Ų65.144%0.43935%0.346SS..Hα-helixtrans-52.4-37.6173.2-74.1-176.9-132.900112.1R182 A183 A186 V196 K197R182-E193 WeakPolarHBondContact CD-O 3.32Å; R182-E193 HydrophobicContact CG-CB 4.41Å; A183-E193 HydrophobicContact CB-CG 4.27Å; A186-E193 HydrophobicContact CB-CG 4.19Å; E193-V196 PolarHBondContact O-N 3.4Å; E193-K197 WeakPolarHBondContact O-CB 3.39Å; E193-K197 PolarHBondContact O-N 3.05Å
194T98.5Very high98.4Very high89 Ų8967.5 Ų67.555%0.54635%0.348SS..Hα-helixtrans-64.9-40.7176.9-51.20000112.1T192 K197 I198T192-T194 PolarHBondContact O-N 3.29Å; T192-T194 VanDerWaalsContact O-N 3.14Å; T194-K197 WeakPolarHBondContact O-CB 3.3Å; T194-K197 PolarHBondContact O-N 2.96Å; T194-I198 HydrophobicContact CG2-CD1 3.93Å; T194-I198 HydrophobicContact CG2-CG1 4.44Å; T194-I198 WeakPolarHBondContact O-CB 3.41Å; T194-I198 VanDerWaalsContact O-CG1 3.3Å; T194-I198 WeakPolarHBondContact O-CG1 3.35Å; T194-I198 PolarHBondContact O-N 3.43Å
195Q98.3Very high98.4Very high69 Ų6968.6 Ų68.632%0.32235%0.345SS..Hα-helixtrans-62.2-44.3175.6-75.5170.2-32.600111.2F159 L191 T192 I198 W199F159-Q195 HydrophobicContact CE1-CB 4.3Å; F159-Q195 HydrophobicContact CE1-CG 4.34Å; F159-Q195 HydrophobicContact CZ-CB 3.99Å; F159-Q195 HydrophobicContact CZ-CG 4.26Å; L191-Q195 HydrophobicContact CB-CB 4.42Å; T192-Q195 WeakPolarHBondContact O-CB 3.44Å; T192-Q195 PolarHBondContact O-N 3.05Å; T192-Q195 VanDerWaalsContact OG1-CG 3.32Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.47Å; T192-Q195 PolarHBondContact OG1-N 2.94Å; T192-Q195 PolarHBondContact OG1-OE1 2.89Å; Q195-I198 PolarHBondContact O-N 3.26Å; Q195-W199 WeakPolarHBondContact O-CB 3.45Å; Q195-W199 PolarHBondContact O-N 3.17Å
196V98.6Very high98.4Very high0 Ų073.6 Ų73.60%037%0.366CS..Hα-helixtrans-62.1-45.3175.1-178.80000110.5L167 L177 R182 L185 A186 L191 T192 E193 I198 W199 F200L167-V196 HydrophobicContact CD2-CG1 4.26Å; L177-V196 HydrophobicContact CD1-CG1 4.22Å; R182-V196 HydrophobicContact CG-CB 3.85Å; R182-V196 HydrophobicContact CG-CG1 3.71Å; L185-V196 HydrophobicContact CD2-CG1 4.06Å; A186-V196 HydrophobicContact CB-CG2 4Å; L191-V196 HydrophobicContact CB-CG2 4.28Å; T192-V196 PolarHBondContact O-N 3.28Å; T192-V196 VanDerWaalsContact O-N 3.08Å; E193-V196 PolarHBondContact O-N 3.4Å; V196-I198 PolarHBondContact O-N 3Å; V196-W199 PolarHBondContact O-N 2.97Å; V196-F200 HydrophobicContact CG1-CD2 3.77Å; V196-F200 HydrophobicContact CG1-CE2 3.86Å; V196-F200 WeakPolarHBondContact O-CD2 3.46Å; V196-F200 PolarHBondContact O-N 2.93Å
197K98.4Very high98.3Very high113 Ų11374.4 Ų74.449%0.49137%0.37SS..Hα-helixtrans-55.9-49.8176.2-179.8-179.5176.3179.70111.9E193 T194 F200 Q201E193-K197 WeakPolarHBondContact O-CB 3.39Å; E193-K197 PolarHBondContact O-N 3.05Å; T194-K197 WeakPolarHBondContact O-CB 3.3Å; T194-K197 PolarHBondContact O-N 2.96Å; K197-F200 PolarHBondContact O-N 2.84Å; K197-Q201 WeakPolarHBondContact O-CB 3.48Å; K197-Q201 PolarHBondContact O-N 3.05Å
198I98.5Very high98.2Very high84 Ų8476.4 Ų76.443%0.43137%0.365SS..Hα-helixtrans-63.9-43.4179.4-70.1169.1000110.3T194 Q195 V196 F200 Q201 N202T194-I198 HydrophobicContact CG2-CD1 3.93Å; T194-I198 HydrophobicContact CG2-CG1 4.44Å; T194-I198 WeakPolarHBondContact O-CB 3.41Å; T194-I198 VanDerWaalsContact O-CG1 3.3Å; T194-I198 WeakPolarHBondContact O-CG1 3.35Å; T194-I198 PolarHBondContact O-N 3.43Å; Q195-I198 PolarHBondContact O-N 3.26Å; V196-I198 PolarHBondContact O-N 3Å; I198-F200 PolarHBondContact O-N 3.38Å; I198-Q201 PolarHBondContact O-N 3.41Å; I198-N202 WeakPolarHBondContact CG2-ND2 3.45Å; I198-N202 WeakPolarHBondContact O-CB 3.42Å; I198-N202 VanDerWaalsContact O-CG 3.29Å; I198-N202 PolarHBondContact O-N 3.41Å; I198-N202 PolarHBondContact O-ND2 3.45Å
199W98.6Very high98.1Very high31 Ų3179.9 Ų79.912%0.11737%0.366CS..Hα-helixtrans-61.4-47178.8-170.899.9000111.3F159 L167 E168 F171 Q195 V196 Q201 N202 R203F159-W199 AromaticContact CD2-CD1 3.77Å; F159-W199 HydrophobicContact CE2-CB 4.37Å; F159-W199 AromaticContact CE2-CD1 3.71Å; F159-W199 HydrophobicContact CE2-CG 4.4Å; L167-W199 HydrophobicContact CB-CD2 3.96Å; L167-W199 HydrophobicContact CB-CE3 3.92Å; L167-W199 HydrophobicContact CB-CH2 3.66Å; L167-W199 HydrophobicContact CB-CZ2 3.66Å; L167-W199 HydrophobicContact CB-CZ3 3.78Å; L167-W199 HydrophobicContact CD1-CD2 3.87Å; L167-W199 HydrophobicContact CD1-CE3 4.5Å; L167-W199 HydrophobicContact CD1-CG 3.86Å; L167-W199 HydrophobicContact CD2-CD2 4.36Å; L167-W199 HydrophobicContact CD2-CE3 4.23Å; L167-W199 HydrophobicContact CG-CD2 4.29Å; L167-W199 HydrophobicContact CG-CE3 4.45Å; E168-W199 HydrophobicContact CB-CH2 4.42Å; E168-W199 HydrophobicContact CG-CH2 3.71Å; E168-W199 HydrophobicContact CG-CZ2 3.71Å; F171-W199 HydrophobicContact CB-CH2 4.33Å; F171-W199 HydrophobicContact CB-CZ3 4.05Å; F171-W199 HydrophobicContact CG-CZ3 4.44Å; Q195-W199 WeakPolarHBondContact O-CB 3.45Å; Q195-W199 PolarHBondContact O-N 3.17Å; V196-W199 PolarHBondContact O-N 2.97Å; W199-Q201 VanDerWaalsContact C-N 3.33Å; W199-Q201 PolarHBondContact O-N 2.81Å; W199-N202 PolarHBondContact O-N 2.9Å; W199-R203 HydrophobicContact CE3-CB 4.04Å; W199-R203 HydrophobicContact CH2-CB 4.12Å; W199-R203 HydrophobicContact CH2-CG 3.83Å; W199-R203 HydrophobicContact CZ3-CB 3.78Å; W199-R203 HydrophobicContact CZ3-CG 3.83Å; W199-R203 VanDerWaalsContact O-CB 3.32Å; W199-R203 WeakPolarHBondContact O-CB 3.41Å; W199-R203 PolarHBondContact O-N 3.33Å
200F98.8Very high97.9Very high8 Ų884.8 Ų84.84%0.03538%0.382CS..Hα-helixtrans-63.8-36.3177.2-90.8-104.1000112.5L167 R170 F171 L177 L185 V196 K197 I198 R204L167-F200 HydrophobicContact CD2-CE2 3.96Å; R170-F200 HydrophobicContact CB-CZ 4.32Å; F171-F200 HydrophobicContact CB-CE1 4.17Å; F171-F200 HydrophobicContact CB-CZ 4.35Å; F171-F200 AromaticContact CD2-CD1 3.87Å; F171-F200 HydrophobicContact CD2-CD1 3.87Å; F171-F200 AromaticContact CD2-CE1 3.89Å; F171-F200 HydrophobicContact CD2-CE1 3.89Å; L177-F200 HydrophobicContact CD1-CD1 4.31Å; L177-F200 HydrophobicContact CD1-CD2 4.14Å; L177-F200 HydrophobicContact CD1-CE1 3.76Å; L177-F200 HydrophobicContact CD1-CE2 3.57Å; L177-F200 HydrophobicContact CD1-CG 4.49Å; L177-F200 HydrophobicContact CD1-CZ 3.37Å; L177-F200 HydrophobicContact CD2-CE1 4.28Å; L177-F200 HydrophobicContact CD2-CZ 4.39Å; L177-F200 HydrophobicContact CG-CD1 4.12Å; L177-F200 HydrophobicContact CG-CE1 3.64Å; L177-F200 HydrophobicContact CG-CE2 4.36Å; L177-F200 HydrophobicContact CG-CZ 3.79Å; L185-F200 HydrophobicContact CD2-CE2 3.93Å; L185-F200 HydrophobicContact CD2-CZ 4.21Å; V196-F200 HydrophobicContact CG1-CD2 3.77Å; V196-F200 HydrophobicContact CG1-CE2 3.86Å; V196-F200 WeakPolarHBondContact O-CD2 3.46Å; V196-F200 PolarHBondContact O-N 2.93Å; K197-F200 PolarHBondContact O-N 2.84Å; I198-F200 PolarHBondContact O-N 3.38Å; F200-R204 WeakPolarHBondContact O-CG 3.46Å; F200-R204 PolarHBondContact O-N 3.48Å; F200-R204 PolarHBondContact O-NE 3.19Å
201Q98.6Very high97.7Very high109 Ų10980.5 Ų80.551%0.50937%0.365SS..Hα-helixtrans-65.2-48.1174.4-171.4167.52600111.6K197 I198 W199 R203 R204 Y205K197-Q201 WeakPolarHBondContact O-CB 3.48Å; K197-Q201 PolarHBondContact O-N 3.05Å; I198-Q201 PolarHBondContact O-N 3.41Å; W199-Q201 VanDerWaalsContact C-N 3.33Å; W199-Q201 PolarHBondContact O-N 2.81Å; Q201-R203 VanDerWaalsContact C-N 3.3Å; Q201-R203 PolarHBondContact O-N 2.71Å; Q201-R204 PolarHBondContact O-N 2.87Å; Q201-Y205 PolarHBondContact O-N 2.82Å
202N98.3Very high97.4Very high92 Ų9284.7 Ų84.749%0.49239%0.386SS..Hα-helixtrans-61.4-40.4176.2-73.1-25.6000111.7I198 W199 Y205 K206I198-N202 WeakPolarHBondContact CG2-ND2 3.45Å; I198-N202 WeakPolarHBondContact O-CB 3.42Å; I198-N202 VanDerWaalsContact O-CG 3.29Å; I198-N202 PolarHBondContact O-N 3.41Å; I198-N202 PolarHBondContact O-ND2 3.45Å; W199-N202 PolarHBondContact O-N 2.9Å; N202-Y205 PolarHBondContact O-N 3.15Å; N202-K206 WeakPolarHBondContact O-CG 3.39Å; N202-K206 PolarHBondContact O-N 3.2Å
203R98.4Very high97Very high46 Ų4683.3 Ų83.317%0.17438%0.382CS..Hα-helixtrans-63.5-47.6178.7-17462.9-177.3-167.4-3.2111.3E168 F171 W199 Q201 Y205 K206 T207E168-R203 IonicContact OE1-CZ 3.26Å; E168-R203 VanDerWaalsContact OE1-CZ 3.26Å; E168-R203 IonicContact OE1-NH1 2.71Å; E168-R203 PolarHBondContact OE1-NH1 2.89Å; E168-R203 IonicContact OE1-NH2 3.41Å; E168-R203 PolarHBondContact OE1-NH2 3.11Å; F171-R203 HydrophobicContact CD1-CG 3.69Å; F171-R203 HydrophobicContact CD2-CB 4.22Å; F171-R203 HydrophobicContact CD2-CG 3.66Å; F171-R203 HydrophobicContact CE1-CG 3.69Å; F171-R203 HydrophobicContact CE2-CB 4.13Å; F171-R203 HydrophobicContact CE2-CG 3.66Å; F171-R203 HydrophobicContact CG-CG 3.67Å; F171-R203 HydrophobicContact CZ-CB 4.47Å; F171-R203 HydrophobicContact CZ-CG 3.67Å; W199-R203 HydrophobicContact CE3-CB 4.04Å; W199-R203 HydrophobicContact CH2-CB 4.12Å; W199-R203 HydrophobicContact CH2-CG 3.83Å; W199-R203 HydrophobicContact CZ3-CB 3.78Å; W199-R203 HydrophobicContact CZ3-CG 3.83Å; W199-R203 VanDerWaalsContact O-CB 3.32Å; W199-R203 WeakPolarHBondContact O-CB 3.41Å; W199-R203 PolarHBondContact O-N 3.33Å; Q201-R203 VanDerWaalsContact C-N 3.3Å; Q201-R203 PolarHBondContact O-N 2.71Å; R203-Y205 VanDerWaalsContact C-N 3.35Å; R203-Y205 PolarHBondContact O-N 3.04Å; R203-K206 PolarHBondContact O-N 3.34Å; R203-T207 PolarHBondContact O-N 3.33Å; R203-T207 PolarHBondContact O-OG1 3.22Å; R203-T207 VanDerWaalsContact O-OG1 3.07Å
204R98.4Very high96.6Very high83 Ų8381.4 Ų81.431%0.31338%0.383SS..Hα-helixtrans-58.7-45.3174.7-73.9-177.5-72.6148.6-6.1111.8F171 R175 F200 Q201 T207 K208F171-R204 HydrophobicContact CE2-CG 3.75Å; F171-R204 HydrophobicContact CZ-CG 4.19Å; R175-R204 WeakPolarHBondContact O-CD 3.38Å; F200-R204 WeakPolarHBondContact O-CG 3.46Å; F200-R204 PolarHBondContact O-N 3.48Å; F200-R204 PolarHBondContact O-NE 3.19Å; Q201-R204 PolarHBondContact O-N 2.87Å; R204-T207 PolarHBondContact O-N 2.87Å; R204-K208 PolarHBondContact O-N 3.03Å
205Y98.3Very high96.1Very high138 Ų13882.2 Ų82.254%0.54138%0.384SS..Hα-helixtrans-62.8-44.4179.1-173.3-98.8000112.3Q201 N202 R203 T207 K208 R209Q201-Y205 PolarHBondContact O-N 2.82Å; N202-Y205 PolarHBondContact O-N 3.15Å; R203-Y205 VanDerWaalsContact C-N 3.35Å; R203-Y205 PolarHBondContact O-N 3.04Å; Y205-T207 VanDerWaalsContact C-N 3.35Å; Y205-T207 PolarHBondContact O-N 2.74Å; Y205-K208 PolarHBondContact O-N 3.47Å; Y205-R209 WeakPolarHBondContact O-CB 3.42Å; Y205-R209 PolarHBondContact O-N 2.95Å; Y205-R209 PolarHBondContact OH-NH2 3.08Å
206K97.3Very high95.5Very high114 Ų11485 Ų8550%0.49640%0.4SS..Hα-helixtrans-60.7-42.7175-76-179.173.1174.70111.9N202 R203 R209 R210N202-K206 WeakPolarHBondContact O-CG 3.39Å; N202-K206 PolarHBondContact O-N 3.2Å; R203-K206 PolarHBondContact O-N 3.34Å; K206-R209 PolarHBondContact O-N 2.91Å; K206-R210 WeakPolarHBondContact O-CG 3.4Å; K206-R210 PolarHBondContact O-N 3.03Å
207T97.1Very high94.6Very high23 Ų2392.4 Ų92.414%0.14144%0.437CS..Hα-helixtrans-62.4-48.7178.1-60.30000111.5R203 R204 Y205 R209 R210 Q211R203-T207 PolarHBondContact O-N 3.33Å; R203-T207 PolarHBondContact O-OG1 3.22Å; R203-T207 VanDerWaalsContact O-OG1 3.07Å; R204-T207 PolarHBondContact O-N 2.87Å; Y205-T207 VanDerWaalsContact C-N 3.35Å; Y205-T207 PolarHBondContact O-N 2.74Å; T207-R209 VanDerWaalsContact C-N 3.35Å; T207-R209 PolarHBondContact O-N 3.19Å; T207-R210 PolarHBondContact O-N 3.15Å; T207-Q211 WeakPolarHBondContact O-CG 3.24Å; T207-Q211 PolarHBondContact O-N 3.45Å
208K96.9Very high93.7Very high118 Ų11891.2 Ų91.251%0.51345%0.448SS..Hα-helixtrans-59.4-44.7176.2-177.8175.3177.5176.20111.9R204 Y205 R210 Q211 M212R204-K208 PolarHBondContact O-N 3.03Å; Y205-K208 PolarHBondContact O-N 3.47Å; K208-R210 VanDerWaalsContact C-N 3.33Å; K208-R210 PolarHBondContact O-N 2.77Å; K208-Q211 PolarHBondContact O-N 3.45Å; K208-M212 HydrophobicContact CD-CE 4.3Å; K208-M212 HydrophobicContact CG-CE 4.12Å; K208-M212 HydrophobicContact CG-SD 4.12Å; K208-M212 WeakPolarHBondContact O-CG 3.39Å; K208-M212 PolarHBondContact O-N 3.3Å
209R96.1Very high92.4Very high153 Ų15391.9 Ų91.958%0.57746%0.46SS*.Hα-helixtrans-61.5-40.7177.7-173.2-169.7-85.2177.4-8.8111.8Y205 K206 T207 A213Y205-R209 WeakPolarHBondContact O-CB 3.42Å; Y205-R209 PolarHBondContact O-N 2.95Å; Y205-R209 PolarHBondContact OH-NH2 3.08Å; K206-R209 PolarHBondContact O-N 2.91Å; T207-R209 VanDerWaalsContact C-N 3.35Å; T207-R209 PolarHBondContact O-N 3.19Å; R209-A213 WeakPolarHBondContact O-CB 3.38Å; R209-A213 PolarHBondContact O-N 2.91Å
210R94Very high90.9Very high124 Ų12493.1 Ų93.147%0.46848%0.477SS..Hα-helixtrans-65.3-39.9177.1-73.4-169.6-145.5101.5-11.6112.3K206 T207 K208 A213 A214K206-R210 WeakPolarHBondContact O-CG 3.4Å; K206-R210 PolarHBondContact O-N 3.03Å; T207-R210 PolarHBondContact O-N 3.15Å; K208-R210 VanDerWaalsContact C-N 3.33Å; K208-R210 PolarHBondContact O-N 2.77Å; R210-A213 PolarHBondContact O-N 2.82Å; R210-A214 WeakPolarHBondContact O-CB 3.49Å; R210-A214 PolarHBondContact O-N 3.47Å
211Q92.9Very high89.2Confident104 Ų10498.3 Ų98.349%0.48651%0.511SS..Hα-helixtrans-60.9-51.7175.8-71.5168.5-14.500110.7T207 K208 A213 A214 D215T207-Q211 WeakPolarHBondContact O-CG 3.24Å; T207-Q211 PolarHBondContact O-N 3.45Å; K208-Q211 PolarHBondContact O-N 3.45Å; Q211-A213 VanDerWaalsContact C-N 3.29Å; Q211-A213 PolarHBondContact O-N 3.23Å; Q211-A214 WeakPolarHBondContact O-CB 3.42Å; Q211-A214 PolarHBondContact O-N 3.41Å; Q211-D215 PolarHBondContact O-N 3.3Å
212M91.4Very high87.5Confident109 Ų10997.7 Ų97.754%0.53753%0.525SS..Hα-helixtrans-59.1-37.9177.6-68.717315900113.4K208 L216K208-M212 HydrophobicContact CD-CE 4.3Å; K208-M212 HydrophobicContact CG-CE 4.12Å; K208-M212 HydrophobicContact CG-SD 4.12Å; K208-M212 WeakPolarHBondContact O-CG 3.39Å; K208-M212 PolarHBondContact O-N 3.3Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 PolarHBondContact O-N 3.24Å; M212-L216 VanDerWaalsContact O-N 3.11Å
213A91.3Very high85.8Confident48 Ų4897.5 Ų97.540%0.39754%0.536SS..Hα-helixtrans-68.8-38.9176.300000112R209 R210 Q211 L216 M217R209-A213 WeakPolarHBondContact O-CB 3.38Å; R209-A213 PolarHBondContact O-N 2.91Å; R210-A213 PolarHBondContact O-N 2.82Å; Q211-A213 VanDerWaalsContact C-N 3.29Å; Q211-A213 PolarHBondContact O-N 3.23Å; A213-L216 PolarHBondContact O-N 3.19Å; A213-M217 WeakPolarHBondContact O-CG 3.5Å; A213-M217 PolarHBondContact O-N 2.88Å
214A90.6Very high84.3Confident54 Ų54104.6 Ų104.645%0.44657%0.568SS.*Hα-helixtrans-65.7-42.5175.500000111.4R210 Q211 L216 M217 A218R210-A214 WeakPolarHBondContact O-CB 3.49Å; R210-A214 PolarHBondContact O-N 3.47Å; Q211-A214 WeakPolarHBondContact O-CB 3.42Å; Q211-A214 PolarHBondContact O-N 3.41Å; A214-L216 VanDerWaalsContact C-N 3.3Å; A214-L216 PolarHBondContact O-N 3.13Å; A214-M217 PolarHBondContact O-N 3.18Å; A214-A218 WeakPolarHBondContact O-CB 3.46Å; A214-A218 PolarHBondContact O-N 3.43Å
215D87.4Confident82.8Confident106 Ų106110.7 Ų110.757%0.56760%0.597SS**Hα-helixtrans-61.9-39.9177.2-60.1-26.6000111.3Q211 A218 S219Q211-D215 PolarHBondContact O-N 3.3Å; D215-A218 PolarHBondContact O-N 3.17Å; D215-S219 VanDerWaalsContact O-CB 3.24Å; D215-S219 WeakPolarHBondContact O-CB 3Å; D215-S219 PolarHBondContact O-N 3.25Å
216L84.6Confident81.3Confident129 Ų129110 Ų11068%0.67561%0.607SS**Hα-helixtrans-67.6-37.6176-171.962.7000112.4M212 A213 A214 A220M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 PolarHBondContact O-N 3.24Å; M212-L216 VanDerWaalsContact O-N 3.11Å; A213-L216 PolarHBondContact O-N 3.19Å; A214-L216 VanDerWaalsContact C-N 3.3Å; A214-L216 PolarHBondContact O-N 3.13Å; L216-A220 PolarHBondContact O-N 3.33Å; L216-A220 VanDerWaalsContact O-N 3.15Å
217M81.6Confident79.9Confident155 Ų155109.1 Ų109.176%0.76462%0.621SS**Hα-helixtrans-70.3-34.8174.6-72.5175.8101.800112.2A213 A214A213-M217 WeakPolarHBondContact O-CG 3.5Å; A213-M217 PolarHBondContact O-N 2.88Å; A214-M217 PolarHBondContact O-N 3.18Å
218A78.7Confident78.7Confident88 Ų88113.9 Ų113.973%0.72765%0.65SS**Hα-helixtrans-73.9-30.117700000112.8A214 D215A214-A218 WeakPolarHBondContact O-CB 3.46Å; A214-A218 PolarHBondContact O-N 3.43Å; D215-A218 PolarHBondContact O-N 3.17Å
219S70.3Confident77.3Confident97 Ų97117.5 Ų117.568%0.67867%0.665SS**Hα-helixtrans-83.4-15.9176.7-176.50000113.3D215 P221D215-S219 VanDerWaalsContact O-CB 3.24Å; D215-S219 WeakPolarHBondContact O-CB 3Å; D215-S219 PolarHBondContact O-N 3.25Å; S219-P221 WeakPolarHBondContact O-CD 3.36Å
220A67.1Low76.2Confident57 Ų57116 Ų11647%0.47167%0.673SS.*SBendtrans-65.2120.2175.700000109.6L216 A222L216-A220 PolarHBondContact O-N 3.33Å; L216-A220 VanDerWaalsContact O-N 3.15Å; A220-A222 PolarHBondContact O-N 3.28Å
221P64.1Low74.9Confident118 Ų118118 Ų11877%0.76669%0.692SS**  trans-59.4128.717525.7-32.7000107.5S219 A223S219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-A223 PolarHBondContact O-N 3.26Å
222A62.3Low73.6Confident96 Ų96118.2 Ų118.279%0.79370%0.7SS**  trans-49.5100.7178.500000109.1A220 K224A220-A222 PolarHBondContact O-N 3.28Å; A222-K224 PolarHBondContact O-N 3.05Å
223A64.1Low72Confident88 Ų88124.2 Ų124.273%0.72772%0.717SS**  trans-65107.8-174.400000107.2P221 K225P221-A223 PolarHBondContact O-N 3.26Å; A223-K225 PolarHBondContact O-N 2.92Å
224K65.8Low70.1Confident195 Ų195129 Ų12985%0.84874%0.736SS**  trans-60.3104.4175.3-63.3178-176.7177.70106.6A222 V226A222-K224 PolarHBondContact O-N 3.05Å; K224-V226 PolarHBondContact O-N 3.14Å
225K66.7Low68.3Low210 Ų210132.7 Ų132.791%0.91375%0.748SS**  trans-65.799.8178.3-65.2-179.4-179.3-177.40107.8A223 A227A223-K225 PolarHBondContact O-N 2.92Å; K225-A227 PolarHBondContact O-N 2.94Å
226V68Low66.7Low124 Ų124137 Ų13775%0.75277%0.765SS**  trans-81.2114171.5-179.30000107.2K224 V228K224-V226 PolarHBondContact O-N 3.14Å; V226-V228 PolarHBondContact O-N 3.44Å; V226-V228 VanDerWaalsContact O-N 3.17Å
227A67.1Low64.9Low95 Ų95141.1 Ų141.179%0.78577%0.772SS**  trans-69109.617500000109.4K225 K229K225-A227 PolarHBondContact O-N 2.94Å; A227-K229 PolarHBondContact O-N 3.37Å
228V71.4Confident63.2Low124 Ų124142.6 Ų142.675%0.75278%0.777SS**  trans-79.6114.3170.61790000107.6V226 V230V226-V228 PolarHBondContact O-N 3.44Å; V226-V228 VanDerWaalsContact O-N 3.17Å; V228-V230 PolarHBondContact O-N 3.48Å
229K68.6Low61.3Low193 Ų193148.7 Ų148.784%0.83978%0.782SS**  trans-68.4110.4169.6-62.4-179.7169.3-176.90107.8A227 L231A227-K229 PolarHBondContact O-N 3.37Å; K229-L231 PolarHBondContact O-N 3.04Å
230V72.3Confident60.3Low123 Ų123150.6 Ų150.675%0.74579%0.785SS**  trans-67.8102.3171.1177.40000107.2V228 V232V228-V230 PolarHBondContact O-N 3.48Å; V230-V232 VanDerWaalsContact C-N 3.32Å; V230-V232 HydrophobicContact CG1-CG2 4.23Å; V230-V232 PolarHBondContact O-N 3.1Å
231L65.8Low59.6Low164 Ų164153.5 Ų153.586%0.85980%0.799SS**  trans-70.394.5165.8-79.8162.6000107.2K229 R233K229-L231 PolarHBondContact O-N 3.04Å; L231-R233 PolarHBondContact O-N 3.03Å; L231-R233 VanDerWaalsContact O-N 3.1Å
232V66.4Low59.3Low110 Ų110151 Ų15167%0.66780%0.795SS**  trans-61.8108.3164.3178.10000106.3V230 D234V230-V232 VanDerWaalsContact C-N 3.32Å; V230-V232 HydrophobicContact CG1-CG2 4.23Å; V230-V232 PolarHBondContact O-N 3.1Å; V232-D234 PolarHBondContact O-N 2.73Å
233R57.6Low58.5Low234 Ų234155.8 Ų155.888%0.88380%0.801SS**  trans-77.7113.2163.5-100.2-167164.9144.1-1.5106.8L231 D235L231-R233 PolarHBondContact O-N 3.03Å; L231-R233 VanDerWaalsContact O-N 3.1Å; R233-D235 PolarHBondContact O-N 2.76Å
234D53Low58Low150 Ų150159.8 Ų159.880%0.80281%0.809SS**  trans-64.898.8167.2-69.5-52.5000108.9V232 Q236V232-D234 PolarHBondContact O-N 2.73Å; D234-Q236 VanDerWaalsContact C-N 3.28Å; D234-Q236 PolarHBondContact O-N 3.02Å
235D51.6Low57.4Low131 Ų131158.1 Ų158.170%0.70181%0.808SS**  trans-78.675.5176.2-126.1-24.2000109.3R233 R237R233-D235 PolarHBondContact O-N 2.76Å; D235-R237 PolarHBondContact O-N 3Å; D235-R237 IonicContact OD1-NE 3.97Å
236Q53.1Low56.8Low197 Ų197158.7 Ų158.792%0.92181%0.805SS**  trans-63.984.6158.4-93.9-170.323.800108.6D234D234-Q236 VanDerWaalsContact C-N 3.28Å; D234-Q236 PolarHBondContact O-N 3.02Å
237R47.1Very low56Low215 Ų215157.8 Ų157.881%0.81180%0.801SS**  trans-105.299.7161.1-74.1-157.6169.6-121.2-1.3108.7D235 Y239D235-R237 PolarHBondContact O-N 3Å; D235-R237 IonicContact OD1-NE 3.97Å; R237-Y239 PolarHBondContact O-N 3.02Å; R237-Y239 VanDerWaalsContact O-N 3.08Å
238Q46.8Very low55.4Low186 Ų186158.7 Ų158.787%0.86980%0.799SS**  trans-52.7111.1159.6-90.7173.2-77.600108.7N240Q238-N240 PolarHBondContact O-N 3.08Å
239Y38.9Very low54.6Low215 Ų215160.6 Ų160.684%0.84380%0.804SS**  trans-81.9108.4168.6-159.1-92.6000108.1R237R237-Y239 PolarHBondContact O-N 3.02Å; R237-Y239 VanDerWaalsContact O-N 3.08Å
240N49.5Very low54Low137 Ų137159.1 Ų159.173%0.73381%0.805SS**  trans-90.2119.5170-115.2-46.2000108.2Q238 G242Q238-N240 PolarHBondContact O-N 3.08Å; N240-G242 VanDerWaalsContact C-N 3.33Å; N240-G242 PolarHBondContact O-N 2.8Å
241P51.5Low53.1Low119 Ų119157.3 Ų157.377%0.77380%0.803SS**THydrogen-bonded Turntrans-85.870.8-175.634.7-32.5000110.6
242G56.9Low52.3Low66 Ų66157.6 Ų157.668%0.6880%0.804SS**THydrogen-bonded Turntrans-145.2-15.9-173.900000118.6N240N240-G242 VanDerWaalsContact C-N 3.33Å; N240-G242 PolarHBondContact O-N 2.8Å
243E46Very low51.9Low195 Ų195160.2 Ų160.291%0.91181%0.809SS**  trans-105.973.7-177.5-79.7-173.6148.100112.4L245E243-L245 VanDerWaalsContact C-N 3.34Å; E243-L245 PolarHBondContact O-N 2.91Å
244L54.3Low51.6Low173 Ų173153.4 Ų153.491%0.90680%0.795SS**  trans-84.276.9158.5-75.7179.2000109.7
245L53.4Low51.3Low159 Ų159151.8 Ų151.883%0.83280%0.796SS**  trans-139.898.9166.9-90.7166.8000112E243E243-L245 VanDerWaalsContact C-N 3.34Å; E243-L245 PolarHBondContact O-N 2.91Å
246R54.3Low51.5Low223 Ų223155.2 Ų155.284%0.84280%0.8SS**  trans75.4103.9139-160.5174.7-169143.81.2118.2
247P50.3Low51.6Low104 Ų104155.5 Ų155.568%0.67579%0.794SS**  trans-65.3134.3160.9-14.328.8000110.4L249P247-L249 PolarHBondContact O-N 3.18Å
248P55.5Low52Low114 Ų114156.1 Ų156.174%0.7480%0.798SS**  trans-65.9117.8170.8-14.628.1000109.3L250P248-L250 PolarHBondContact O-N 3.42Å
249L52.8Low52.7Low164 Ų164151.4 Ų151.486%0.85978%0.784SS**  trans-7496169.3-57.8-152.2000107.5P247 A251P247-L249 PolarHBondContact O-N 3.18Å; L249-A251 PolarHBondContact O-N 3.02Å
250L57.5Low53.5Low162 Ų162150.2 Ų150.285%0.84878%0.779SS**  trans-67.6114.5164.2-69177.2000107.6P248 L252P248-L250 PolarHBondContact O-N 3.42Å; L250-L252 PolarHBondContact O-N 2.96Å
251A53.5Low53.8Low85 Ų85147.9 Ų147.970%0.70278%0.779SS**  trans-59.7116.7179.700000110.6L249 Q253L249-A251 PolarHBondContact O-N 3.02Å; A251-Q253 PolarHBondContact O-N 3.32Å; A251-Q253 VanDerWaalsContact O-N 3.16Å
252L49Very low54.3Low171 Ų171150.5 Ų150.590%0.89577%0.774SS**  trans-71.2100.4167.2-141.977.4000107.6L250 P254L250-L252 PolarHBondContact O-N 2.96Å; L252-P254 WeakPolarHBondContact O-CD 3.49Å
253Q57.2Low54.4Low165 Ų165153.3 Ų153.377%0.77178%0.782SS**  trans-79.6121.7166.5-76.1-71.2-30.400108.4A251 S255A251-Q253 PolarHBondContact O-N 3.32Å; A251-Q253 VanDerWaalsContact O-N 3.16Å; Q253-S255 PolarHBondContact O-N 3.22Å; Q253-S255 VanDerWaalsContact O-N 3.08Å
254P52.1Low55.2Low90 Ų90150 Ų15058%0.58477%0.77SS**  trans-79.592.2172.230.2-28.3000108.7L252 Y256L252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-Y256 VanDerWaalsContact C-N 3.28Å; P254-Y256 HydrophobicContact CB-CD2 4.29Å; P254-Y256 HydrophobicContact CB-CE2 3.95Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact O-CD2 3.46Å; P254-Y256 PolarHBondContact O-N 3.03Å
255S46.7Very low55.5Low116 Ų116145.2 Ų145.281%0.81175%0.749SS**  trans-71.893.1161.7-170.40000107.9Q253Q253-S255 PolarHBondContact O-N 3.22Å; Q253-S255 VanDerWaalsContact O-N 3.08Å
256Y54.7Low55.5Low204 Ų204143 Ų14380%0.875%0.754SS**  trans-57.3149.2157-70.9-90000108.9P254P254-Y256 VanDerWaalsContact C-N 3.28Å; P254-Y256 HydrophobicContact CB-CD2 4.29Å; P254-Y256 HydrophobicContact CB-CE2 3.95Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact O-CD2 3.46Å; P254-Y256 PolarHBondContact O-N 3.03Å
257Y55Low55.8Low203 Ų203142.5 Ų142.580%0.79675%0.752SS**  trans97.689.2174.9-143.7-94.4000115.7
258Y55.8Low56.1Low227 Ų227142 Ų14289%0.8975%0.747SS**  trans-135.5124.4147.4-114.8-88.2000110.3
259P62.6Low55.9Low87 Ų87144.5 Ų144.557%0.56575%0.754SS**  trans-78.5152.6-179.632.9-32.7000110.7A261P259-A261 PolarHBondContact O-N 3.22Å
260Y55.4Low55.7Low191 Ų191142.3 Ų142.375%0.74975%0.752SS**  trans-53.494.7-175.9-145.9-86.7000112.9Y262Y260-Y262 AromaticContact CD1-CD2 3.33Å; Y260-Y262 HydrophobicContact CD1-CD2 3.33Å; Y260-Y262 AromaticContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CG 4.1Å; Y260-Y262 HydrophobicContact CE1-CD1 4.4Å; Y260-Y262 AromaticContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CE1 4.13Å; Y260-Y262 AromaticContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CG 4.15Å; Y260-Y262 AromaticContact CE1-CZ 3.56Å; Y260-Y262 HydrophobicContact CG-CE2 4.49Å; Y260-Y262 PolarHBondContact O-N 3.23Å
261A56.3Low55.5Low87 Ų87141.1 Ų141.172%0.71975%0.752SS**  trans-80.393.5166.300000108.8P259 C263P259-A261 PolarHBondContact O-N 3.22Å; A261-C263 PolarHBondContact O-N 3.16Å
262Y61Low55.2Low175 Ų175143.1 Ų143.169%0.68676%0.759SS**  trans-54.899.9163.3-94.2-88.3000109Y260 L264Y260-Y262 AromaticContact CD1-CD2 3.33Å; Y260-Y262 HydrophobicContact CD1-CD2 3.33Å; Y260-Y262 AromaticContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CE2 3.33Å; Y260-Y262 HydrophobicContact CD1-CG 4.1Å; Y260-Y262 HydrophobicContact CE1-CD1 4.4Å; Y260-Y262 AromaticContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CD2 3.6Å; Y260-Y262 HydrophobicContact CE1-CE1 4.13Å; Y260-Y262 AromaticContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CE2 3.26Å; Y260-Y262 HydrophobicContact CE1-CG 4.15Å; Y260-Y262 AromaticContact CE1-CZ 3.56Å; Y260-Y262 HydrophobicContact CG-CE2 4.49Å; Y260-Y262 PolarHBondContact O-N 3.23Å; Y262-L264 VanDerWaalsContact C-N 3.28Å; Y262-L264 PolarHBondContact O-N 3.08Å
263C58.6Low55Low124 Ų124139.7 Ų139.784%0.83876%0.755SS**  trans-72.589162.9-700000107.8A261A261-C263 PolarHBondContact O-N 3.16Å
264L63.3Low54.4Low125 Ų125135.2 Ų135.265%0.65475%0.754SS**  trans-68.3126.5166.3-74.1162.3000108.4Y262Y262-L264 VanDerWaalsContact C-N 3.28Å; Y262-L264 PolarHBondContact O-N 3.08Å
265P59.8Low54.1Low73 Ų73139.1 Ų139.147%0.47477%0.77SS.*  trans-68.2142.8174.827.5-33.1000110.6W267P265-W267 VanDerWaalsContact C-CD1 3.49Å; P265-W267 VanDerWaalsContact CB-NE1 3.27Å; P265-W267 PolarHBondContact O-N 3Å
266A53.7Low54.4Low113 Ų113146.1 Ų146.193%0.93479%0.79SS**THydrogen-bonded Turntrans-66.631.3-164.300000117.9
267W60.4Low54.4Low212 Ų212143.3 Ų143.380%0.80379%0.789SS**THydrogen-bonded Turntrans-120.27.2-176.451-62.8000114.1P265P265-W267 VanDerWaalsContact C-CD1 3.49Å; P265-W267 VanDerWaalsContact CB-NE1 3.27Å; P265-W267 PolarHBondContact O-N 3Å
268T57.2Low54.4Low93 Ų93140.1 Ų140.157%0.57179%0.789SS**  trans-102.823.3-17862.50000115.3
269L50.6Low54.3Low168 Ų168135.3 Ų135.388%0.8878%0.783SS**  trans-12087.9169.1-70.5171.9000109.9
270S49.4Very low53.8Low118 Ų118138.1 Ų138.183%0.82580%0.796SS**  trans-143.676.1158.7-175.90000108.8
271T52.5Low53.7Low136 Ų136134.8 Ų134.883%0.83480%0.799SS**  trans-140.2105.9161.151.50000109.8
272C47.4Very low53.5Low127 Ų127138 Ų13886%0.85880%0.804SS**  trans-161.4146.3146.960.20000105.8
273A46.3Very low53Low99 Ų99135.4 Ų135.482%0.81881%0.813SS**  cis-176.7148.6-15.200000104.1
274G44Very low52.6Low72 Ų72136.2 Ų136.274%0.74281%0.811SS**  trans79.7117.8149.200000119.2
275N46.3Very low51.7Low171 Ų171137.2 Ų137.291%0.91482%0.824SS**  -152.2140.3104.7-114.7-27000110.4
276Q52.3Low50.9Low264 Ų264143 Ų143100%1.23486%0.856SS**  trans-72.40177.8-67.2176.3101.300111.4

Retrieved 276 of 276 residues in 178.1 ms (Link to these results)