A0A087YSC1_POEFO Loading...

UTP14C small subunit processome component

AlphaFold DB , UniProt , Accession A0A087YSC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1E38.6Very low37.5Very low237 Ų237152.1 Ų152.1100%1.10782%0.817SS**  076.80-65.9176.9170.500105.3
2E37.8Very low37.8Very low175 Ų175153.9 Ų153.982%0.81882%0.816SS**  78.798.299.3-76.5-172.6-178.700110.1
3E42.1Very low38.1Very low166 Ų166156.2 Ų156.278%0.77682%0.819SS**  80132.291.8-75.9-167.1-16200111.3
4E43Very low38.2Very low157 Ų157157.8 Ų157.873%0.73482%0.821SS**  -155.7135.850-98.4-175.4130.100110.4
5Q42.1Very low38.8Very low160 Ų160156.7 Ų156.775%0.74882%0.824SS**  67135.395.1-62.6-178.342.600115.3
6G32.7Very low38.6Very low82 Ų82154.9 Ų154.985%0.84582%0.821SS**  cis-163.8-177.54.800000108.1
7G34Very low38.9Very low69 Ų69152.2 Ų152.271%0.71182%0.817SS**  cis150.8118.27.200000108.3
8M34.2Very low38.8Very low192 Ų192147.8 Ų147.895%0.94681%0.814SS**  trans64.9150.7158.3-74.3141.2169.800118.2
9D33.1Very low39.2Very low152 Ų152149.1 Ų149.181%0.81381%0.814SS**  cis-158.4171.418.3-157.66.1000111.9
10R41.5Very low39.7Very low219 Ų219151.5 Ų151.583%0.82682%0.819SS**  trans-103.7162.5-167.5179.9-176178.5-178.5-0.4112.3
11G33.3Very low40.4Very low64 Ų64149.3 Ų149.366%0.6681%0.807SS**  trans128.9104.9159.100000112.4
12E41Very low41.4Very low174 Ų174147 Ų14781%0.81380%0.796SS**  64.8117.179.9-76.6-176.6-163.700115.6
13E42.7Very low42.3Very low183 Ų183140.8 Ų140.886%0.85578%0.779SS**  trans44.6123.8153.6-54.6-163.7175.400121.7
14E38.2Very low43.1Very low179 Ų179137.7 Ų137.784%0.83677%0.765SS**  -177.5131.5113.3-108.5-173.6161.600111.8
15T47.2Very low44.4Very low141 Ų141135.2 Ų135.287%0.86576%0.757SS**  trans-77.5116.7165.949.80000109.6
16V36.6Very low45.9Very low128 Ų128131.4 Ų131.478%0.77674%0.739SS**  trans-115.8108164166.20000109
17S43.3Very low48Very low109 Ų109136.7 Ų136.776%0.76273%0.733SS**  trans-71.5114.5163.4-178.60000108.5
18G36.5Very low50.2Low74 Ų74138.7 Ų138.776%0.76372%0.723SS**  trans-11590.8168.500000109.4
19E48Very low52.3Low172 Ų172136.5 Ų136.580%0.80470%0.704SS**  trans-72.8127.2156.7-71.2179.814700107.4
20E47.6Very low54.7Low196 Ų196134.5 Ų134.592%0.91669%0.69SS**  167.6138.3129.5-88.4173-165.800112
21D55.9Low56.8Low107 Ų107131.7 Ų131.757%0.57268%0.683SS**  trans100.250.2158.8-146.619000121.2G23D21-G23 VanDerWaalsContact C-N 3.25Å
22E57.9Low59.1Low187 Ų187133.8 Ų133.887%0.87468%0.679SS**  trans-825.5160.5-70.7-16815800113.7
23G57.6Low61.1Low46 Ų46129.8 Ų129.847%0.47466%0.663SS.*Hα-helixtrans-85.5-28.1-172.200000115.1D21D21-G23 VanDerWaalsContact C-N 3.25Å
24E59.7Low63Low101 Ų101127.7 Ų127.747%0.47265%0.653SS.*Hα-helixtrans-77.6-33.1-179.1-77.8-155.2153.200113.7R27 K28E24-R27 PolarHBondContact O-N 2.76Å; E24-K28 WeakPolarHBondContact O-CG 3.36Å; E24-K28 PolarHBondContact O-N 2.75Å; E24-K28 WeakPolarHBondContact OE2-CE 3.22Å; E24-K28 IonicContact OE2-NZ 2.76Å; E24-K28 PolarHBondContact OE2-NZ 3.32Å
25D68.9Low65.1Low104 Ų104121.5 Ų121.556%0.55663%0.632SS**Hα-helixtrans-72.7-33.1-171.5-74-18.9000112.7R27 K28 R29D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.01Å; D25-K28 PolarHBondContact O-N 3.17Å; D25-K28 IonicContact OD1-NZ 3.77Å; D25-R29 WeakPolarHBondContact O-CB 3.46Å; D25-R29 PolarHBondContact O-N 3.47Å
26E74.1Confident66.6Low80 Ų80119.8 Ų119.837%0.37462%0.616SS.*Hα-helixtrans-69.9-32.9175.4-171.554-142.500111.5R29 Q30E26-R29 PolarHBondContact O-N 3.48Å; E26-R29 IonicContact OE1-NH1 3.6Å; E26-R29 IonicContact OE2-CZ 3.93Å; E26-R29 IonicContact OE2-NH1 2.88Å; E26-R29 PolarHBondContact OE2-NH1 2.9Å; E26-Q30 VanDerWaalsContact O-CG 3.28Å; E26-Q30 WeakPolarHBondContact O-CG 3.35Å; E26-Q30 PolarHBondContact O-N 3.4Å; E26-Q30 PolarHBondContact OE1-NE2 3.22Å
27R76.3Confident68.4Low193 Ų193123.9 Ų123.973%0.72862%0.618SS**Hα-helixtrans-70.7-40.3174.3-65.5-177.6-178.6-1651.4111.9E24 D25 R29 Q30 K31E24-R27 PolarHBondContact O-N 2.76Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.01Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R27-Q30 PolarHBondContact O-N 3.01Å; R27-K31 PolarHBondContact O-N 2.94Å; R27-K31 VanDerWaalsContact O-N 3.1Å
28K80.4Confident69.9Low112 Ų112123.4 Ų123.449%0.48761%0.614SS.*Hα-helixtrans-63.5-40.9174.2-69.1166.7-169158.90110.6E24 D25 K31 L32E24-K28 WeakPolarHBondContact O-CG 3.36Å; E24-K28 PolarHBondContact O-N 2.75Å; E24-K28 WeakPolarHBondContact OE2-CE 3.22Å; E24-K28 IonicContact OE2-NZ 2.76Å; E24-K28 PolarHBondContact OE2-NZ 3.32Å; D25-K28 PolarHBondContact O-N 3.17Å; D25-K28 IonicContact OD1-NZ 3.77Å; K28-K31 PolarHBondContact O-N 3.32Å; K28-L32 PolarHBondContact O-N 3.41Å
29R79.4Confident71.6Confident145 Ų145127.1 Ų127.155%0.54762%0.616SS.*Hα-helixtrans-64.4-41.1176.4-173.9177.8173.6-134.82.9113D25 E26 R27 L32 L33D25-R29 WeakPolarHBondContact O-CB 3.46Å; D25-R29 PolarHBondContact O-N 3.47Å; E26-R29 PolarHBondContact O-N 3.48Å; E26-R29 IonicContact OE1-NH1 3.6Å; E26-R29 IonicContact OE2-CZ 3.93Å; E26-R29 IonicContact OE2-NH1 2.88Å; E26-R29 PolarHBondContact OE2-NH1 2.9Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R29-L32 WeakPolarHBondContact O-CB 3.28Å; R29-L32 PolarHBondContact O-N 2.88Å; R29-L33 WeakPolarHBondContact O-CG 3.49Å; R29-L33 PolarHBondContact O-N 3.3Å
30Q83.3Confident72.2Confident111 Ų111121.7 Ų121.752%0.51961%0.607SS.*Hα-helixtrans-66.6-41.6175.8-73173.618.900112.2E26 R27 L32 L33 E34E26-Q30 VanDerWaalsContact O-CG 3.28Å; E26-Q30 WeakPolarHBondContact O-CG 3.35Å; E26-Q30 PolarHBondContact O-N 3.4Å; E26-Q30 PolarHBondContact OE1-NE2 3.22Å; R27-Q30 PolarHBondContact O-N 3.01Å; Q30-L32 VanDerWaalsContact C-N 3.31Å; Q30-L32 PolarHBondContact O-N 3.39Å; Q30-L33 PolarHBondContact O-N 3.06Å; Q30-E34 PolarHBondContact O-N 3.45Å
31K85.6Confident72.7Confident160 Ų160115.3 Ų115.370%0.69659%0.593SS**Hα-helixtrans-60.2-38.5172.4-95.6178.2175.4174.30112.8R27 K28 E34 A35R27-K31 PolarHBondContact O-N 2.94Å; R27-K31 VanDerWaalsContact O-N 3.1Å; K28-K31 PolarHBondContact O-N 3.32Å; K31-E34 PolarHBondContact O-N 3.48Å; K31-A35 WeakPolarHBondContact O-CB 3.42Å; K31-A35 PolarHBondContact O-N 2.95Å
32L81.5Confident73.1Confident107 Ų107120.2 Ų120.256%0.5661%0.61SS**Hα-helixtrans-65-44.2175.9-174.973.9000111.7K28 R29 Q30 E34 A35 I36K28-L32 PolarHBondContact O-N 3.41Å; R29-L32 WeakPolarHBondContact O-CB 3.28Å; R29-L32 PolarHBondContact O-N 2.88Å; Q30-L32 VanDerWaalsContact C-N 3.31Å; Q30-L32 PolarHBondContact O-N 3.39Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-E34 PolarHBondContact O-N 3.1Å; L32-A35 PolarHBondContact O-N 3.47Å; L32-I36 HydrophobicContact CG-CD1 4.12Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.48Å
33L82.3Confident73.2Confident91 Ų91122.6 Ų122.648%0.47661%0.611SS.*Hα-helixtrans-65.6-36.3178-71172.6000112.3R29 Q30 R37R29-L33 WeakPolarHBondContact O-CG 3.49Å; R29-L33 PolarHBondContact O-N 3.3Å; Q30-L33 PolarHBondContact O-N 3.06Å; L33-R37 WeakPolarHBondContact O-CG 3.29Å; L33-R37 PolarHBondContact O-N 3.46Å
34E82.8Confident73.3Confident139 Ų139130.2 Ų130.265%0.6563%0.631SS**Hα-helixtrans-69-41174.4-167.5172.1-166.900111.7Q30 K31 L32 I36 R37 S38Q30-E34 PolarHBondContact O-N 3.45Å; K31-E34 PolarHBondContact O-N 3.48Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-E34 PolarHBondContact O-N 3.1Å; E34-I36 PolarHBondContact O-N 2.97Å; E34-R37 PolarHBondContact O-N 2.96Å; E34-S38 PolarHBondContact O-N 2.9Å
35A83.4Confident73.3Confident49 Ų49135 Ų13541%0.40565%0.65SS.*Hα-helixtrans-61.1-43.3173.900000111.9K31 L32 R37 S38 L39K31-A35 WeakPolarHBondContact O-CB 3.42Å; K31-A35 PolarHBondContact O-N 2.95Å; L32-A35 PolarHBondContact O-N 3.47Å; A35-R37 VanDerWaalsContact C-N 3.35Å; A35-R37 PolarHBondContact O-N 3.44Å; A35-S38 PolarHBondContact O-N 3.42Å; A35-S38 VanDerWaalsContact O-N 3.17Å; A35-S38 PolarHBondContact O-OG 3.26Å; A35-L39 PolarHBondContact O-N 3.48Å
36I77.9Confident72.6Confident104 Ų104134.7 Ų134.753%0.53366%0.661SS.*Hα-helixtrans-63.3-40.3175.5-68.4165.9000111.2L32 E34 S38 L39 G40L32-I36 HydrophobicContact CG-CD1 4.12Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.48Å; E34-I36 PolarHBondContact O-N 2.97Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.03Å; I36-L39 PolarHBondContact O-N 3.05Å; I36-G40 PolarHBondContact O-N 3Å
37R74.1Confident71.7Confident215 Ų215138.8 Ų138.881%0.81169%0.685SS**Hα-helixtrans-64-36.4174.2-76.9175176-174.40.5112.2L33 E34 A35L33-R37 WeakPolarHBondContact O-CG 3.29Å; L33-R37 PolarHBondContact O-N 3.46Å; E34-R37 PolarHBondContact O-N 2.96Å; A35-R37 VanDerWaalsContact C-N 3.35Å; A35-R37 PolarHBondContact O-N 3.44Å
38S75.4Confident70.7Confident98 Ų98133.1 Ų133.169%0.68569%0.687SS**Hα-helixtrans-74.6-26.917976.70000114E34 A35 I36 G40E34-S38 PolarHBondContact O-N 2.9Å; A35-S38 PolarHBondContact O-N 3.42Å; A35-S38 VanDerWaalsContact O-N 3.17Å; A35-S38 PolarHBondContact O-OG 3.26Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.03Å; S38-G40 VanDerWaalsContact C-N 3.34Å
39L71.3Confident69.3Low152 Ų152136.8 Ų136.880%0.79671%0.706SS**Hα-helixtrans-80.3-17179.5-159.167.3000112.8A35 I36 G41A35-L39 PolarHBondContact O-N 3.48Å; I36-L39 PolarHBondContact O-N 3.05Å; L39-G41 VanDerWaalsContact C-N 3.28Å; L39-G41 PolarHBondContact O-N 3.21Å
40G61.6Low68Low59 Ų59140.8 Ų140.861%0.60872%0.721SS**  trans-73.373.2175.500000112.9I36 S38I36-G40 PolarHBondContact O-N 3Å; S38-G40 VanDerWaalsContact C-N 3.34Å
41G57.8Low66.6Low62 Ų62140.4 Ų140.464%0.63973%0.731SS**  trans-50.3140.4172.300000112.6L39 R43L39-G41 VanDerWaalsContact C-N 3.28Å; L39-G41 PolarHBondContact O-N 3.21Å; G41-R43 PolarHBondContact O-N 3.16Å
42K63.3Low65.2Low209 Ų209140.7 Ų140.791%0.90974%0.735SS**  trans-34.7104-177.5-64.2172.1-178.7175.40113K44K42-K44 PolarHBondContact O-N 2.88Å; K42-K44 VanDerWaalsContact O-N 3.16Å
43R60.9Low63.7Low238 Ų238139.9 Ų139.990%0.89874%0.743SS**PPolyproline II helixtrans-60.1116.9165.6-73.7-174.6-78161.9-4.5108.3G41 K45G41-R43 PolarHBondContact O-N 3.16Å; R43-K45 PolarHBondContact O-N 3.25Å
44K60.5Low62.3Low205 Ų205139.2 Ų139.289%0.89175%0.751SS**PPolyproline II helixtrans-54.8124.8167.2-70.8-177.1176.5179.50107.3K42 A46K42-K44 PolarHBondContact O-N 2.88Å; K42-K44 VanDerWaalsContact O-N 3.16Å; K44-A46 PolarHBondContact O-N 3.14Å; K44-A46 VanDerWaalsContact O-N 3.14Å
45K59.3Low61.1Low203 Ų203136.1 Ų136.188%0.88376%0.756SS**PPolyproline II helixtrans-58.9116.7170.9-74.6179175.51790107.4R43 L47R43-K45 PolarHBondContact O-N 3.25Å; K45-L47 PolarHBondContact O-N 3.29Å
46A54.8Low59.9Low96 Ų96139.5 Ų139.579%0.79376%0.764SS**PPolyproline II helixtrans-60.2124.3161.900000107K44 G48K44-A46 PolarHBondContact O-N 3.14Å; K44-A46 VanDerWaalsContact O-N 3.14Å; A46-G48 PolarHBondContact O-N 3.25Å
47L53.7Low58.4Low166 Ų166142.8 Ų142.887%0.86978%0.779SS**PPolyproline II helixtrans-56.4123.3169.2-77.9157.3000107.1K45 E49K45-L47 PolarHBondContact O-N 3.29Å; L47-E49 PolarHBondContact O-N 3.05Å
48G55.7Low57.9Low75 Ų75134.2 Ų134.277%0.77375%0.752SS**  trans-65.7105.917300000108.6A46 R50A46-G48 PolarHBondContact O-N 3.25Å; G48-R50 PolarHBondContact O-N 3.04Å
49E51.8Low57.4Low189 Ų189139.5 Ų139.588%0.88377%0.766SS**  trans-62.9106.1160.6-70.5178.7174.900106.8L47 S51L47-E49 PolarHBondContact O-N 3.05Å; E49-S51 PolarHBondContact O-N 3.26Å
50R50.7Low57.2Low228 Ų228140.3 Ų140.386%0.8676%0.763SS**  trans-65.889.4162.2-85.9-178.2169.1171.9-4.5107.3G48 E52G48-R50 PolarHBondContact O-N 3.04Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 2.9Å
51S53.7Low56.9Low104 Ų104142.8 Ų142.873%0.72777%0.771SS**  trans-73.895.7151.4169.80000106.2E49 A53E49-S51 PolarHBondContact O-N 3.26Å; S51-A53 PolarHBondContact O-N 2.89Å
52E56.4Low57Low166 Ų166143.7 Ų143.778%0.77676%0.764SS**  trans-65.3110.5155.4-65-176.9-174.500105.4R50 A54R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 2.9Å; E52-A54 VanDerWaalsContact C-N 3.33Å; E52-A54 PolarHBondContact O-N 3.18Å
53A49.6Very low56.8Low89 Ų89139 Ų13974%0.73675%0.748SS**  trans-63.699172.500000107.5S51 G55S51-A53 PolarHBondContact O-N 2.89Å; A53-G55 VanDerWaalsContact C-N 3.26Å; A53-G55 PolarHBondContact O-N 2.81Å
54A54.4Low56.6Low78 Ų78131.5 Ų131.565%0.64573%0.731SS**  trans-58.9100.6157.500000105.9E52 H56E52-A54 VanDerWaalsContact C-N 3.33Å; E52-A54 PolarHBondContact O-N 3.18Å; A54-H56 VanDerWaalsContact C-N 3.32Å; A54-H56 PolarHBondContact O-N 2.88Å
55G57.4Low56.3Low74 Ų74129.1 Ų129.176%0.76373%0.728SS**  trans-63.592.4-177.200000109.7A53A53-G55 VanDerWaalsContact C-N 3.26Å; A53-G55 PolarHBondContact O-N 2.81Å
56H57.5Low56.1Low120 Ų120123 Ų12356%0.55672%0.722SS**  trans74.188.1166.3-141.478.5000115.9A54A54-H56 VanDerWaalsContact C-N 3.32Å; A54-H56 PolarHBondContact O-N 2.88Å
57M47.6Very low56.2Low172 Ų172120.6 Ų120.685%0.84771%0.707SS**  trans-92.5104.7158.7-65.9-17770.700108.6
58S61.8Low56.4Low35 Ų35120 Ų12025%0.24571%0.713CS.*  trans-77.3124.3164.1140.80000108.3F60 S61 V62S58-F60 PolarHBondContact O-N 3.11Å; S58-F60 PolarHBondContact OG-N 3.16Å; S58-S61 PolarHBondContact O-N 2.88Å; S58-S61 PolarHBondContact OG-N 2.85Å; S58-V62 WeakPolarHBondContact CB-O 3.37Å; S58-V62 PolarHBondContact OG-N 3.17Å; S58-V62 PolarHBondContact OG-O 2.95Å
59E65.2Low56.5Low210 Ų210119.3 Ų119.398%0.98171%0.706SS**THydrogen-bonded Turntrans-55.9-21.1175-64.4-179.5177.700113.4
60F66.8Low57.2Low169 Ų169117.5 Ų117.574%0.74170%0.695SS**THydrogen-bonded Turntrans-98.111.4178.3-154.4-103.3000114S58 V62S58-F60 PolarHBondContact O-N 3.11Å; S58-F60 PolarHBondContact OG-N 3.16Å; F60-V62 HydrophobicContact CD1-CG2 3.83Å; F60-V62 PolarHBondContact O-N 3.48Å; F60-V62 VanDerWaalsContact O-N 3.15Å
61S56.5Low58.2Low111 Ų111110.8 Ų110.878%0.77668%0.679SS**SBendtrans54.527.5-178.457.30000115.7S58S58-S61 PolarHBondContact O-N 2.88Å; S58-S61 PolarHBondContact OG-N 2.85Å
62V59.8Low59.2Low81 Ų81111.4 Ų111.449%0.49167%0.671SS.*  trans-108.5100.8173.8-1780000108.3S58 F60S58-V62 WeakPolarHBondContact CB-O 3.37Å; S58-V62 PolarHBondContact OG-N 3.17Å; S58-V62 PolarHBondContact OG-O 2.95Å; F60-V62 HydrophobicContact CD1-CG2 3.83Å; F60-V62 PolarHBondContact O-N 3.48Å; F60-V62 VanDerWaalsContact O-N 3.15Å
63N59Low60.1Low109 Ų109107.7 Ų107.758%0.58366%0.656SS**  trans-85.9125176.2-67-27.5000109.3D65N63-D65 VanDerWaalsContact C-N 3.27Å; N63-D65 PolarHBondContact O-N 3.32Å
64P57.3Low61.4Low82 Ų82105.8 Ų105.853%0.53264%0.637SS.*  trans-78.1-10-178.430.6-34.4000113.8
65D53.3Low62.6Low155 Ų155106.9 Ų106.983%0.82963%0.632SS**SBendtrans-102.2108.9-170.2-1388.8000112.3N63N63-D65 VanDerWaalsContact C-N 3.27Å; N63-D65 PolarHBondContact O-N 3.32Å
66G55.8Low63.6Low73 Ų73107.9 Ų107.975%0.75362%0.619SS**SBendtrans91.3-0.2148.500000121.2
67G56.6Low64.6Low46 Ų46102.7 Ų102.747%0.47460%0.595SS.*SBendtrans-100.2162.6174.600000114.3G69G67-G69 PolarHBondContact O-N 3.48Å
68P57.3Low66Low154 Ų15496 Ų96100%157%0.57SS**SBendtrans-66.824.2177.130.3-36.6000114.8
69G58Low66.7Low60 Ų6097.5 Ų97.562%0.61958%0.58SS**  trans-124.637.3-174.700000113.8G67 V71G67-G69 PolarHBondContact O-N 3.48Å; G69-V71 PolarHBondContact O-N 3.25Å; G69-V71 VanDerWaalsContact O-N 3.07Å
70K67.5Low67Low151 Ų15189.9 Ų89.966%0.65755%0.546SS*.  trans-68.6104.9166.4-69.6-169.9-179.2-171.10107.9Q72K70-Q72 PolarHBondContact O-N 2.74Å
71V70.6Confident67.2Low88 Ų8886.4 Ų86.453%0.53353%0.532SS..  trans-62.3108.6-180-175.70000108.7G69 D75 L76G69-V71 PolarHBondContact O-N 3.25Å; G69-V71 VanDerWaalsContact O-N 3.07Å; V71-D75 HydrophobicContact CG1-CB 4.45Å; V71-L76 HydrophobicContact CG1-CD1 3.88Å; V71-L76 HydrophobicContact CG1-CD2 3.72Å; V71-L76 HydrophobicContact CG1-CG 3.55Å
72Q74.4Confident68.1Low117 Ų11789.9 Ų89.955%0.54753%0.533SS..  trans-78.5154.1176.9-69.4-72.7-9.900109.9K70 S74 D75 L76K70-Q72 PolarHBondContact O-N 2.74Å; Q72-S74 VanDerWaalsContact CB-OG 3.25Å; Q72-S74 WeakPolarHBondContact CB-OG 3.28Å; Q72-S74 PolarHBondContact O-N 3.35Å; Q72-S74 VanDerWaalsContact O-N 3.14Å; Q72-D75 PolarHBondContact O-N 3.39Å; Q72-L76 PolarHBondContact O-N 3.41Å
73L75.9Confident68.7Low88 Ų8889.1 Ų89.146%0.46153%0.529SS..Hα-helixtrans-54.7-33.4173.8-84.1162000111.6D75 L76 I77L73-D75 VanDerWaalsContact C-N 3.29Å; L73-D75 PolarHBondContact O-N 3.45Å; L73-L76 PolarHBondContact O-N 3.21Å; L73-I77 HydrophobicContact CB-CD1 4.37Å; L73-I77 WeakPolarHBondContact O-CB 3.33Å; L73-I77 VanDerWaalsContact O-CD1 3.3Å; L73-I77 WeakPolarHBondContact O-CD1 3.25Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.94Å
74S76.9Confident69.1Low48 Ų4889.5 Ų89.534%0.33654%0.541SS..Hα-helixtrans-56.5-39.3174.551.30000113.6Q72 G78Q72-S74 VanDerWaalsContact CB-OG 3.25Å; Q72-S74 WeakPolarHBondContact CB-OG 3.28Å; Q72-S74 PolarHBondContact O-N 3.35Å; Q72-S74 VanDerWaalsContact O-N 3.14Å; S74-G78 PolarHBondContact O-N 2.96Å; S74-G78 VanDerWaalsContact O-N 3.15Å
75D79.9Confident70Confident101 Ų10190.2 Ų90.254%0.5455%0.553SS.*Hα-helixtrans-76.2-35.1-174-59.4-8.4000110.7V71 Q72 L73V71-D75 HydrophobicContact CG1-CB 4.45Å; Q72-D75 PolarHBondContact O-N 3.39Å; L73-D75 VanDerWaalsContact C-N 3.29Å; L73-D75 PolarHBondContact O-N 3.45Å
76L77.5Confident71.1Confident96 Ų9684.2 Ų84.250%0.50352%0.522SS..Hα-helixtrans-71.9-41.8174.7-64.8169.3000111.4V71 Q72 L73 G78 S79 L80V71-L76 HydrophobicContact CG1-CD1 3.88Å; V71-L76 HydrophobicContact CG1-CD2 3.72Å; V71-L76 HydrophobicContact CG1-CG 3.55Å; Q72-L76 PolarHBondContact O-N 3.41Å; L73-L76 PolarHBondContact O-N 3.21Å; L76-G78 PolarHBondContact O-N 2.93Å; L76-S79 PolarHBondContact O-N 3.23Å; L76-S79 PolarHBondContact O-OG 3Å; L76-L80 PolarHBondContact O-N 3.46Å
77I78.7Confident72.5Confident11 Ų1184.8 Ų84.86%0.05651%0.513CS..Hα-helixtrans-63.7-40.1179.5-68.6164.6000111.2L73 S79 L80 E81 L94 Q98L73-I77 HydrophobicContact CB-CD1 4.37Å; L73-I77 WeakPolarHBondContact O-CB 3.33Å; L73-I77 VanDerWaalsContact O-CD1 3.3Å; L73-I77 WeakPolarHBondContact O-CD1 3.25Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.94Å; I77-S79 VanDerWaalsContact C-N 3.29Å; I77-S79 PolarHBondContact O-N 2.94Å; I77-L80 WeakPolarHBondContact O-CB 3.46Å; I77-L80 PolarHBondContact O-N 2.93Å; I77-L80 VanDerWaalsContact O-N 3.1Å; I77-E81 HydrophobicContact CG2-CG 4.44Å; I77-E81 WeakPolarHBondContact O-CG 3.42Å; I77-E81 PolarHBondContact O-N 2.92Å; I77-L94 HydrophobicContact CD1-CB 3.96Å; I77-L94 WeakPolarHBondContact CD1-O 3.47Å; I77-L94 HydrophobicContact CG1-CB 4.02Å; I77-Q98 HydrophobicContact CD1-CB 3.97Å; I77-Q98 HydrophobicContact CD1-CG 4.41Å
78G76.6Confident73.6Confident30 Ų3085.8 Ų85.831%0.30952%0.516SS..Hα-helixtrans-63.8-29.4179.200000114.5S74 L76S74-G78 PolarHBondContact O-N 2.96Å; S74-G78 VanDerWaalsContact O-N 3.15Å; L76-G78 PolarHBondContact O-N 2.93Å
79S77Confident74.9Confident67 Ų6786.7 Ų86.747%0.46951%0.505SS..Hα-helixtrans-76.2-36.2171.973.90000112.1L76 I77 K82L76-S79 PolarHBondContact O-N 3.23Å; L76-S79 PolarHBondContact O-OG 3Å; I77-S79 VanDerWaalsContact C-N 3.29Å; I77-S79 PolarHBondContact O-N 2.94Å; S79-K82 PolarHBondContact O-N 3.05Å
80L71.4Confident76Confident50 Ų5085.5 Ų85.526%0.26249%0.486SS..Hα-helixtrans-71.7-30.6-177.8-16271.5000113L76 I77 K82 T83 V86 L94L76-L80 PolarHBondContact O-N 3.46Å; I77-L80 WeakPolarHBondContact O-CB 3.46Å; I77-L80 PolarHBondContact O-N 2.93Å; I77-L80 VanDerWaalsContact O-N 3.1Å; L80-K82 PolarHBondContact O-N 2.67Å; L80-T83 PolarHBondContact O-N 3.42Å; L80-T83 PolarHBondContact O-OG1 3.43Å; L80-V86 HydrophobicContact CD1-CB 4.45Å; L80-V86 HydrophobicContact CD1-CG1 4.46Å; L80-V86 HydrophobicContact CD1-CG2 3.4Å; L80-V86 HydrophobicContact CD2-CG1 4.1Å; L80-V86 HydrophobicContact CD2-CG2 4.48Å; L80-V86 HydrophobicContact CG-CB 4.37Å; L80-V86 HydrophobicContact CG-CG1 4.17Å; L80-V86 HydrophobicContact CG-CG2 3.78Å; L80-L94 HydrophobicContact CD2-CD1 3.36Å
81E70.6Confident76.6Confident96 Ų9681 Ų8145%0.44947%0.465SS..THydrogen-bonded Turntrans-62.9-30.1172.6-73.1-169.415300112.8I77 K95I77-E81 HydrophobicContact CG2-CG 4.44Å; I77-E81 WeakPolarHBondContact O-CG 3.42Å; I77-E81 PolarHBondContact O-N 2.92Å; E81-K95 WeakPolarHBondContact OE1-CE 3.33Å; E81-K95 IonicContact OE1-NZ 3.37Å; E81-K95 PolarHBondContact OE1-NZ 3.43Å
82K75.7Confident77.3Confident184 Ų18483.7 Ų83.780%0.847%0.47SS*.THydrogen-bonded Turntrans-79.5-20.4178.2-60.7174.9-175.6176.50112.6S79 L80S79-K82 PolarHBondContact O-N 3.05Å; L80-K82 PolarHBondContact O-N 2.67Å
83T73.7Confident77.8Confident65 Ų6584 Ų8440%0.39947%0.472SS..  trans-87.7113.5175.862.20000110.5L80 A85 R91L80-T83 PolarHBondContact O-N 3.42Å; L80-T83 PolarHBondContact O-OG1 3.43Å; T83-A85 VanDerWaalsContact C-N 3.27Å; T83-A85 PolarHBondContact O-N 3.31Å; T83-R91 PolarHBondContact O-NH2 3.41Å
84S66.4Low78.1Confident118 Ų11882 Ų8283%0.82546%0.461SS*.THydrogen-bonded Turntrans-71.8-17.4-176.957.20000114.1V86S84-V86 VanDerWaalsContact C-N 3.25Å; S84-V86 PolarHBondContact O-N 2.94Å
85A76.9Confident78.3Confident97 Ų9784.1 Ų84.180%0.80246%0.464SS*.THydrogen-bonded Turntrans-71.4-9.9-176.300000115.2T83T83-A85 VanDerWaalsContact C-N 3.27Å; T83-A85 PolarHBondContact O-N 3.31Å
86V74.8Confident78.5Confident28 Ų2884.3 Ų84.317%0.1747%0.465CS..SBendtrans-86.9139.5-176.3179.60000110.4L80 S84 S90 R91L80-V86 HydrophobicContact CD1-CB 4.45Å; L80-V86 HydrophobicContact CD1-CG1 4.46Å; L80-V86 HydrophobicContact CD1-CG2 3.4Å; L80-V86 HydrophobicContact CD2-CG1 4.1Å; L80-V86 HydrophobicContact CD2-CG2 4.48Å; L80-V86 HydrophobicContact CG-CB 4.37Å; L80-V86 HydrophobicContact CG-CG1 4.17Å; L80-V86 HydrophobicContact CG-CG2 3.78Å; S84-V86 VanDerWaalsContact C-N 3.25Å; S84-V86 PolarHBondContact O-N 2.94Å; V86-S90 VanDerWaalsContact CG1-OG 3.29Å; V86-S90 WeakPolarHBondContact CG1-OG 3.44Å; V86-R91 HydrophobicContact CG1-CG 4.17Å; V86-R91 PolarHBondContact O-NH1 3.41Å; V86-R91 PolarHBondContact O-NH2 2.86Å
87P85.1Confident78.6Confident86 Ų8684.2 Ų84.256%0.55847%0.465SS*.  trans-64.7146.9176.3-24.734.7000113.9K89 S90 R91P87-K89 PolarHBondContact O-N 3.25Å; P87-S90 PolarHBondContact O-N 3.36Å; P87-S90 PolarHBondContact O-OG 3.2Å; P87-R91 PolarHBondContact O-N 3.13Å
88A80.6Confident78.6Confident66 Ų6687.6 Ų87.655%0.54548%0.48SS..Hα-helixtrans-63.3-26.8177.800000113.8K92A88-K92 WeakPolarHBondContact O-CG 3.43Å; A88-K92 PolarHBondContact O-N 2.94Å
89K84.2Confident78.8Confident174 Ų17493.1 Ų93.176%0.75750%0.502SS*.Hα-helixtrans-68.9-44.4178.8-68.5-177.8179.4178.90112.4P87 R91 K92 Q93P87-K89 PolarHBondContact O-N 3.25Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-K92 PolarHBondContact O-N 2.82Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 3.26Å
90S81.6Confident78.7Confident34 Ų3492.4 Ų92.424%0.23850%0.497CS..Hα-helixtrans-67.6-35.1177.650.50000111.5V86 P87 K92 Q93 L94V86-S90 VanDerWaalsContact CG1-OG 3.29Å; V86-S90 WeakPolarHBondContact CG1-OG 3.44Å; P87-S90 PolarHBondContact O-N 3.36Å; P87-S90 PolarHBondContact O-OG 3.2Å; S90-K92 PolarHBondContact O-N 3.29Å; S90-Q93 PolarHBondContact O-N 3.45Å; S90-L94 WeakPolarHBondContact O-CB 3.45Å; S90-L94 WeakPolarHBondContact O-CG 3.4Å; S90-L94 PolarHBondContact O-N 2.93Å
91R81.1Confident78.6Confident56 Ų5698.5 Ų98.521%0.21152%0.524CS..Hα-helixtrans-59.8-42.5171.4-66.5-165.1-170.185.8-1.8112.6T83 V86 P87 K89 K95T83-R91 PolarHBondContact O-NH2 3.41Å; V86-R91 HydrophobicContact CG1-CG 4.17Å; V86-R91 PolarHBondContact O-NH1 3.41Å; V86-R91 PolarHBondContact O-NH2 2.86Å; P87-R91 PolarHBondContact O-N 3.13Å; K89-R91 VanDerWaalsContact C-N 3.34Å; R91-K95 WeakPolarHBondContact O-CG 3.38Å; R91-K95 PolarHBondContact O-N 3.01Å
92K83.9Confident78.6Confident145 Ų145103 Ų10363%0.6354%0.542SS*.Hα-helixtrans-66.6-41.5176.5-70.2-179.5-177.9-173.30112.3A88 K89 S90 K95 N96A88-K92 WeakPolarHBondContact O-CG 3.43Å; A88-K92 PolarHBondContact O-N 2.94Å; K89-K92 PolarHBondContact O-N 2.82Å; S90-K92 PolarHBondContact O-N 3.29Å; K92-K95 PolarHBondContact O-N 3.19Å; K92-N96 VanDerWaalsContact O-CG 3.26Å; K92-N96 PolarHBondContact O-N 2.82Å; K92-N96 PolarHBondContact O-OD1 3.47Å
93Q84.6Confident78.7Confident125 Ų125100.2 Ų100.258%0.58454%0.54SS*.Hα-helixtrans-62.9-43.6175.9-72.6172.5-29.100111.7K89 S90 N96 L97K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 3.26Å; S90-Q93 PolarHBondContact O-N 3.45Å; Q93-N96 PolarHBondContact O-N 2.88Å; Q93-L97 VanDerWaalsContact O-CG 3.3Å; Q93-L97 WeakPolarHBondContact O-CG 3.03Å; Q93-L97 PolarHBondContact O-N 3.29Å
94L82.3Confident79.1Confident45 Ų45104.7 Ų104.724%0.23656%0.56CS.*Hα-helixtrans-64.4-39.3176.7-74.5168.6000112.5I77 L80 S90 L97 Q98I77-L94 HydrophobicContact CD1-CB 3.96Å; I77-L94 WeakPolarHBondContact CD1-O 3.47Å; I77-L94 HydrophobicContact CG1-CB 4.02Å; L80-L94 HydrophobicContact CD2-CD1 3.36Å; S90-L94 WeakPolarHBondContact O-CB 3.45Å; S90-L94 WeakPolarHBondContact O-CG 3.4Å; S90-L94 PolarHBondContact O-N 2.93Å; L94-L97 PolarHBondContact O-N 2.85Å; L94-Q98 WeakPolarHBondContact O-CB 3.18Å; L94-Q98 PolarHBondContact O-N 3.5Å
95K82.1Confident79.9Confident92 Ų92107.1 Ų107.140%0.456%0.559SS.*Hα-helixtrans-63.3-40.3171.8-73.2-175.9-176.8-161.50112.3E81 R91 K92 L97 Q98 L99E81-K95 WeakPolarHBondContact OE1-CE 3.33Å; E81-K95 IonicContact OE1-NZ 3.37Å; E81-K95 PolarHBondContact OE1-NZ 3.43Å; R91-K95 WeakPolarHBondContact O-CG 3.38Å; R91-K95 PolarHBondContact O-N 3.01Å; K92-K95 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact C-N 3.35Å; K95-Q98 WeakPolarHBondContact O-CB 3.41Å; K95-Q98 PolarHBondContact O-N 2.96Å; K95-L99 WeakPolarHBondContact O-CG 3.32Å; K95-L99 PolarHBondContact O-N 3.37Å
96N84.2Confident80.4Confident105 Ų105107.3 Ų107.356%0.56155%0.554SS**Hα-helixtrans-65.7-38.7175.6-70.6-5.1000111.9K92 Q93 L99 S100K92-N96 VanDerWaalsContact O-CG 3.26Å; K92-N96 PolarHBondContact O-N 2.82Å; K92-N96 PolarHBondContact O-OD1 3.47Å; Q93-N96 PolarHBondContact O-N 2.88Å; N96-L99 PolarHBondContact O-N 3.31Å; N96-S100 PolarHBondContact O-N 3.46Å; N96-S100 PolarHBondContact O-OG 3.27Å
97L79.8Confident81.1Confident95 Ų95111.6 Ų111.650%0.49758%0.582SS.*Hα-helixtrans-68-34.4174.6-69.8171.7000112.3Q93 L94 K95 L99 S100Q93-L97 VanDerWaalsContact O-CG 3.3Å; Q93-L97 WeakPolarHBondContact O-CG 3.03Å; Q93-L97 PolarHBondContact O-N 3.29Å; L94-L97 PolarHBondContact O-N 2.85Å; K95-L97 VanDerWaalsContact C-N 3.35Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-S100 WeakPolarHBondContact CA-OG 3.28Å; L97-S100 CarbonylContact O-C 3.32Å; L97-S100 PolarHBondContact O-N 3.48Å; L97-S100 PolarHBondContact O-OG 3Å
98Q79Confident81.5Confident82 Ų82111.9 Ų111.938%0.38358%0.579SS.*Hα-helixtrans-65.5-35.5172.6-172.4-178.23.800112I77 L94 K95I77-Q98 HydrophobicContact CD1-CB 3.97Å; I77-Q98 HydrophobicContact CD1-CG 4.41Å; L94-Q98 WeakPolarHBondContact O-CB 3.18Å; L94-Q98 PolarHBondContact O-N 3.5Å; K95-Q98 WeakPolarHBondContact O-CB 3.41Å; K95-Q98 PolarHBondContact O-N 2.96Å
99L80.1Confident82.2Confident146 Ų146111.7 Ų111.776%0.76457%0.574SS**Hα-helixtrans-75.3-31.2175.4-68.5169.9000112.5K95 N96 L97 E101K95-L99 WeakPolarHBondContact O-CG 3.32Å; K95-L99 PolarHBondContact O-N 3.37Å; N96-L99 PolarHBondContact O-N 3.31Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.31Å
100S74.9Confident82.8Confident51 Ų51111.3 Ų111.336%0.35757%0.572SS.*  trans-93.186.4173.167.20000110.1N96 L97 K102N96-S100 PolarHBondContact O-N 3.46Å; N96-S100 PolarHBondContact O-OG 3.27Å; L97-S100 WeakPolarHBondContact CA-OG 3.28Å; L97-S100 CarbonylContact O-C 3.32Å; L97-S100 PolarHBondContact O-N 3.48Å; L97-S100 PolarHBondContact O-OG 3Å; S100-K102 PolarHBondContact O-N 2.89Å
101E68.4Low83.5Confident179 Ų179117 Ų11784%0.83660%0.595SS**  trans-62.412.2171.1-63.7-175.9166.100114L99 T103L99-E101 PolarHBondContact O-N 3.31Å; E101-T103 VanDerWaalsContact C-N 3.32Å; E101-T103 PolarHBondContact O-N 2.91Å
102K72.1Confident84.2Confident189 Ų189118.9 Ų118.982%0.82261%0.606SS**  trans-75.286.8178.4-63-173.8-178-175.80109.1S100S100-K102 PolarHBondContact O-N 2.89Å
103T77.1Confident84.8Confident126 Ų126114.1 Ų114.177%0.77359%0.589SS**PPolyproline II helixtrans-62.9137.3164.3-55.90000108.2E101 E105E101-T103 VanDerWaalsContact C-N 3.32Å; E101-T103 PolarHBondContact O-N 2.91Å; T103-E105 PolarHBondContact O-N 3.05Å
104I81.4Confident85.4Confident159 Ų159113.2 Ų113.282%0.81559%0.585SS**PPolyproline II helixtrans-64.9121.4173.6-59.3172.6000106.9
105E84Confident86.1Confident169 Ų169118.6 Ų118.679%0.7960%0.602SS**PPolyproline II helixtrans-61.3145.4177.6-66.1176.7-175.900110.1T103T103-E105 PolarHBondContact O-N 3.05Å
106S87.2Confident86.9Confident102 Ų102118.2 Ų118.271%0.71360%0.604SS**PPolyproline II helixtrans-55.7133.3173.9179.70000109L108S106-L108 PolarHBondContact O-N 3.39Å
107P90.1Very high87.5Confident117 Ų117119.4 Ų119.476%0.7661%0.606SS**PPolyproline II helixtrans-56.7132.5177.824.7-33.9000109.6
108L92.1Very high88.4Confident92 Ų92121.7 Ų121.748%0.48261%0.608SS.*PPolyproline II helixtrans-64.7165.5175.7-67.5167.1000110.9S106 E112 T113 I116S106-L108 PolarHBondContact O-N 3.39Å; L108-E112 HydrophobicContact CB-CB 4.12Å; L108-T113 HydrophobicContact CB-CG2 3.82Å; L108-I116 HydrophobicContact CD1-CD1 3.57Å
109S96.5Very high89.3Confident63 Ų63121.4 Ų121.444%0.44161%0.609SS.*PPolyproline II helixtrans-58.5148.4173.3176.70000110.7Q111 E112 T113S109-Q111 PolarHBondContact O-N 3.48Å; S109-Q111 VanDerWaalsContact O-N 3.17Å; S109-E112 PolarHBondContact N-OE2 2.9Å; S109-E112 WeakPolarHBondContact O-CB 3.22Å; S109-E112 PolarHBondContact O-N 3.18Å; S109-T113 PolarHBondContact O-N 3.47Å
110K95.8Very high90.1Very high165 Ų165119 Ų11972%0.71760%0.595SS**Hα-helixtrans-51.2-44.6179-67-174.4179.5-177.10111.8E112 T113 E114K110-E112 VanDerWaalsContact C-N 3.31Å; K110-E112 PolarHBondContact O-N 2.83Å; K110-T113 WeakPolarHBondContact CA-OG1 3.4Å; K110-T113 PolarHBondContact O-N 2.88Å; K110-T113 PolarHBondContact O-OG1 3.27Å; K110-E114 WeakPolarHBondContact O-CB 3.26Å; K110-E114 WeakPolarHBondContact O-CG 3.36Å; K110-E114 PolarHBondContact O-N 3.3Å
111Q97.2Very high91.3Very high153 Ų153119.2 Ų119.272%0.71560%0.6SS**Hα-helixtrans-60.8-38.9179.1-65.8-179-8.300112.8S109 R115S109-Q111 PolarHBondContact O-N 3.48Å; S109-Q111 VanDerWaalsContact O-N 3.17Å; Q111-R115 WeakPolarHBondContact O-CB 3.36Å; Q111-R115 PolarHBondContact O-N 3.15Å
112E96.3Very high92.7Very high97 Ų97117.7 Ų117.745%0.45359%0.591SS.*Hα-helixtrans-71.4-43.2178.2-64.4171.5153.400110.7L108 S109 K110 E114 R115 I116L108-E112 HydrophobicContact CB-CB 4.12Å; S109-E112 PolarHBondContact N-OE2 2.9Å; S109-E112 WeakPolarHBondContact O-CB 3.22Å; S109-E112 PolarHBondContact O-N 3.18Å; K110-E112 VanDerWaalsContact C-N 3.31Å; K110-E112 PolarHBondContact O-N 2.83Å; E112-E114 PolarHBondContact O-N 3.02Å; E112-R115 WeakPolarHBondContact O-CB 3.18Å; E112-R115 PolarHBondContact O-N 2.93Å; E112-I116 VanDerWaalsContact O-CG1 3.31Å; E112-I116 WeakPolarHBondContact O-CG1 3.33Å; E112-I116 PolarHBondContact O-N 2.78Å
113T95.8Very high93.9Very high45 Ų45114.6 Ų114.628%0.27658%0.579SS.*Hα-helixtrans-62.6-42.9176.262.20000112.1L108 S109 K110 R115 I116 Q117L108-T113 HydrophobicContact CB-CG2 3.82Å; S109-T113 PolarHBondContact O-N 3.47Å; K110-T113 WeakPolarHBondContact CA-OG1 3.4Å; K110-T113 PolarHBondContact O-N 2.88Å; K110-T113 PolarHBondContact O-OG1 3.27Å; T113-R115 VanDerWaalsContact C-N 3.32Å; T113-R115 PolarHBondContact O-N 3.2Å; T113-I116 PolarHBondContact O-N 3.34Å; T113-Q117 WeakPolarHBondContact O-CB 3.1Å; T113-Q117 VanDerWaalsContact O-CG 3.25Å; T113-Q117 WeakPolarHBondContact O-CG 3.35Å; T113-Q117 PolarHBondContact O-N 3.21Å
114E96.9Very high94.9Very high105 Ų105114.9 Ų114.949%0.49157%0.57SS.*Hα-helixtrans-65.4-36.6176.3-73.7171.8-168.600111.4K110 E112 Q117 R118K110-E114 WeakPolarHBondContact O-CB 3.26Å; K110-E114 WeakPolarHBondContact O-CG 3.36Å; K110-E114 PolarHBondContact O-N 3.3Å; E112-E114 PolarHBondContact O-N 3.02Å; E114-Q117 PolarHBondContact O-N 3.49Å; E114-R118 WeakPolarHBondContact O-CB 3.28Å; E114-R118 WeakPolarHBondContact O-CG 3.21Å; E114-R118 PolarHBondContact O-N 3.31Å; E114-R118 PolarHBondContact O-NE 3.49Å
115R98Very high95.7Very high159 Ų159109.6 Ų109.660%0.655%0.549SS*.Hα-helixtrans-61.3-50.7172.7-174.1-178.1-176.7-1733.4111.3Q111 E112 T113 Q117 R118 D119Q111-R115 WeakPolarHBondContact O-CB 3.36Å; Q111-R115 PolarHBondContact O-N 3.15Å; E112-R115 WeakPolarHBondContact O-CB 3.18Å; E112-R115 PolarHBondContact O-N 2.93Å; T113-R115 VanDerWaalsContact C-N 3.32Å; T113-R115 PolarHBondContact O-N 3.2Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.42Å; R115-R118 PolarHBondContact O-N 3.21Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 2.86Å
116I97.3Very high96.4Very high84 Ų84103.6 Ų103.643%0.43153%0.529SS..Hα-helixtrans-60.6-43.3178.2-66.8164.1000110.6L108 E112 T113 R118 D119 M120L108-I116 HydrophobicContact CD1-CD1 3.57Å; E112-I116 VanDerWaalsContact O-CG1 3.31Å; E112-I116 WeakPolarHBondContact O-CG1 3.33Å; E112-I116 PolarHBondContact O-N 2.78Å; T113-I116 PolarHBondContact O-N 3.34Å; I116-R118 VanDerWaalsContact C-N 3.34Å; I116-R118 PolarHBondContact O-N 3.25Å; I116-D119 PolarHBondContact O-N 2.89Å; I116-M120 HydrophobicContact CG2-CG 4.23Å; I116-M120 WeakPolarHBondContact O-CB 3.4Å; I116-M120 WeakPolarHBondContact O-CG 3.24Å; I116-M120 PolarHBondContact O-N 3.44Å
117Q97.8Very high96.9Very high130 Ų130101.7 Ų101.761%0.60752%0.515SS*.Hα-helixtrans-61.9-41.7177.7-75.2175.513.200112.1T113 E114 R115 M120 A121T113-Q117 WeakPolarHBondContact O-CB 3.1Å; T113-Q117 VanDerWaalsContact O-CG 3.25Å; T113-Q117 WeakPolarHBondContact O-CG 3.35Å; T113-Q117 PolarHBondContact O-N 3.21Å; E114-Q117 PolarHBondContact O-N 3.49Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.42Å; Q117-M120 PolarHBondContact O-N 3.13Å; Q117-A121 VanDerWaalsContact O-CB 3.26Å; Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 3.03Å
118R98.1Very high97.2Very high143 Ų143101.3 Ų101.354%0.5450%0.504SS..Hα-helixtrans-63.4-43.9174.7-77.8-176.8-77.999.9-8.3111.8E114 R115 I116 M120 A121 F122E114-R118 WeakPolarHBondContact O-CB 3.28Å; E114-R118 WeakPolarHBondContact O-CG 3.21Å; E114-R118 PolarHBondContact O-N 3.31Å; E114-R118 PolarHBondContact O-NE 3.49Å; R115-R118 PolarHBondContact O-N 3.21Å; I116-R118 VanDerWaalsContact C-N 3.34Å; I116-R118 PolarHBondContact O-N 3.25Å; R118-M120 VanDerWaalsContact C-N 3.35Å; R118-M120 PolarHBondContact O-N 3.42Å; R118-A121 PolarHBondContact O-N 2.77Å; R118-F122 WeakPolarHBondContact O-CB 3.22Å; R118-F122 PolarHBondContact O-N 2.66Å
119D98.2Very high97.5Very high75 Ų75101.3 Ų101.340%0.40151%0.507SS..Hα-helixtrans-63.9-42.4178.8-65.5-16.8000110.9R115 I116 F122 Q123R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 2.86Å; I116-D119 PolarHBondContact O-N 2.89Å; D119-F122 PolarHBondContact O-N 3.27Å; D119-Q123 WeakPolarHBondContact O-CG 3.36Å; D119-Q123 PolarHBondContact O-N 3.13Å
120M98.1Very high97.5Very high95 Ų95101.2 Ų101.247%0.46851%0.507SS..Hα-helixtrans-65.8-40.4175.2-68.9-67.2-68.900112.3I116 Q117 R118 Q123 K124I116-M120 HydrophobicContact CG2-CG 4.23Å; I116-M120 WeakPolarHBondContact O-CB 3.4Å; I116-M120 WeakPolarHBondContact O-CG 3.24Å; I116-M120 PolarHBondContact O-N 3.44Å; Q117-M120 PolarHBondContact O-N 3.13Å; R118-M120 VanDerWaalsContact C-N 3.35Å; R118-M120 PolarHBondContact O-N 3.42Å; M120-Q123 PolarHBondContact O-N 3.35Å; M120-K124 WeakPolarHBondContact O-CG 3.38Å; M120-K124 PolarHBondContact O-N 2.98Å; M120-K124 VanDerWaalsContact O-N 3.14Å
121A98.3Very high97.6Very high56 Ų56102.4 Ų102.446%0.46351%0.507SS..Hα-helixtrans-65.7-41.1175.600000111.2Q117 R118 K124 A125Q117-A121 VanDerWaalsContact O-CB 3.26Å; Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 3.03Å; R118-A121 PolarHBondContact O-N 2.77Å; A121-K124 PolarHBondContact O-N 3.4Å; A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.42Å
122F98.1Very high97.5Very high148 Ų148103 Ų10365%0.64950%0.502SS*.Hα-helixtrans-61.1-47.4175.2175.7-97.3000111.3R118 D119 K124 A125 A126R118-F122 WeakPolarHBondContact O-CB 3.22Å; R118-F122 PolarHBondContact O-N 2.66Å; D119-F122 PolarHBondContact O-N 3.27Å; F122-K124 VanDerWaalsContact C-N 3.29Å; F122-K124 PolarHBondContact O-N 3.37Å; F122-A125 PolarHBondContact O-N 2.99Å; F122-A126 HydrophobicContact CE1-CB 4.47Å; F122-A126 VanDerWaalsContact O-CB 3.24Å; F122-A126 WeakPolarHBondContact O-CB 3.3Å; F122-A126 PolarHBondContact O-N 3.05Å
123Q98.2Very high97.6Very high123 Ų123101.6 Ų101.658%0.57550%0.498SS*.Hα-helixtrans-58.5-42177.1-72.7175.511.200112.1D119 M120 S127D119-Q123 WeakPolarHBondContact O-CG 3.36Å; D119-Q123 PolarHBondContact O-N 3.13Å; M120-Q123 PolarHBondContact O-N 3.35Å; Q123-S127 WeakPolarHBondContact O-CB 3.4Å; Q123-S127 PolarHBondContact O-N 3.14Å
124K98.1Very high97.6Very high133 Ų133101.8 Ų101.858%0.57851%0.509SS*.Hα-helixtrans-64.1-50.5176-71.7176.1-178.6-179.80111.6M120 A121 F122 A126 S127 E128M120-K124 WeakPolarHBondContact O-CG 3.38Å; M120-K124 PolarHBondContact O-N 2.98Å; M120-K124 VanDerWaalsContact O-N 3.14Å; A121-K124 PolarHBondContact O-N 3.4Å; F122-K124 VanDerWaalsContact C-N 3.29Å; F122-K124 PolarHBondContact O-N 3.37Å; K124-A126 VanDerWaalsContact C-N 3.32Å; K124-A126 PolarHBondContact O-N 3.2Å; K124-S127 WeakPolarHBondContact O-CB 3.33Å; K124-S127 PolarHBondContact O-N 2.91Å; K124-S127 VanDerWaalsContact O-N 3.13Å; K124-S127 PolarHBondContact O-OG 3.05Å; K124-E128 PolarHBondContact O-N 2.89Å
125A98.2Very high97.5Very high47 Ų4799.8 Ų99.839%0.38850%0.504SS..Hα-helixtrans-59.9-42.317800000111.7A121 F122 S127 E128 V129A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.42Å; F122-A125 PolarHBondContact O-N 2.99Å; A125-S127 VanDerWaalsContact C-N 3.32Å; A125-S127 PolarHBondContact O-N 3.3Å; A125-E128 PolarHBondContact O-N 3.14Å; A125-E128 VanDerWaalsContact O-N 3.13Å; A125-V129 WeakPolarHBondContact O-CG2 3.43Å; A125-V129 PolarHBondContact O-N 3.34Å
126A97.9Very high97.4Very high43 Ų4395.9 Ų95.936%0.35549%0.494SS..Hα-helixtrans-61-41.5175.900000111.4F122 K124 E128 V129 S130F122-A126 HydrophobicContact CE1-CB 4.47Å; F122-A126 VanDerWaalsContact O-CB 3.24Å; F122-A126 WeakPolarHBondContact O-CB 3.3Å; F122-A126 PolarHBondContact O-N 3.05Å; K124-A126 VanDerWaalsContact C-N 3.32Å; K124-A126 PolarHBondContact O-N 3.2Å; A126-E128 VanDerWaalsContact C-N 3.3Å; A126-E128 PolarHBondContact O-N 2.91Å; A126-V129 PolarHBondContact O-N 2.85Å; A126-S130 WeakPolarHBondContact O-CB 3.33Å; A126-S130 PolarHBondContact O-N 3.22Å
127S97.3Very high97.4Very high62 Ų6295.2 Ų95.243%0.43449%0.491SS..Hα-helixtrans-65.6-31175.879.80000113.2Q123 K124 A125Q123-S127 WeakPolarHBondContact O-CB 3.4Å; Q123-S127 PolarHBondContact O-N 3.14Å; K124-S127 WeakPolarHBondContact O-CB 3.33Å; K124-S127 PolarHBondContact O-N 2.91Å; K124-S127 VanDerWaalsContact O-N 3.13Å; K124-S127 PolarHBondContact O-OG 3.05Å; A125-S127 VanDerWaalsContact C-N 3.32Å; A125-S127 PolarHBondContact O-N 3.3Å
128E97.6Very high97.3Very high110 Ų11095.4 Ų95.451%0.51449%0.491SS..Hα-helixtrans-76.8-42.4176-70.8-179.3172.600112K124 A125 A126 S130 R131K124-E128 PolarHBondContact O-N 2.89Å; A125-E128 PolarHBondContact O-N 3.14Å; A125-E128 VanDerWaalsContact O-N 3.13Å; A126-E128 VanDerWaalsContact C-N 3.3Å; A126-E128 PolarHBondContact O-N 2.91Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.11Å; E128-R131 WeakPolarHBondContact O-CB 3.45Å; E128-R131 PolarHBondContact O-N 3.47Å
129V97.4Very high97.2Very high92 Ų9291.1 Ų91.156%0.55848%0.479SS*.Hα-helixtrans-63.3-40.1175.3175.10000110.5A125 A126 R131 W132A125-V129 WeakPolarHBondContact O-CG2 3.43Å; A125-V129 PolarHBondContact O-N 3.34Å; A126-V129 PolarHBondContact O-N 2.85Å; V129-R131 PolarHBondContact O-N 3.5Å; V129-R131 VanDerWaalsContact O-N 3.11Å; V129-W132 WeakPolarHBondContact O-CB 3.39Å; V129-W132 PolarHBondContact O-N 3.04Å
130S97.5Very high97.1Very high61 Ų6194.7 Ų94.743%0.42749%0.493SS..Hα-helixtrans-61.6-22.7178.8-176.50000113.6A126 E128 W132 D133A126-S130 WeakPolarHBondContact O-CB 3.33Å; A126-S130 PolarHBondContact O-N 3.22Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.11Å; S130-W132 PolarHBondContact O-N 2.93Å; S130-W132 VanDerWaalsContact O-N 3.14Å; S130-D133 VanDerWaalsContact CA-OD2 3.26Å; S130-D133 WeakPolarHBondContact CA-OD2 3.37Å; S130-D133 WeakPolarHBondContact CB-OD2 3.26Å; S130-D133 VanDerWaalsContact O-CB 3.27Å; S130-D133 WeakPolarHBondContact O-CB 3.35Å; S130-D133 PolarHBondContact O-N 3.47Å; S130-D133 PolarHBondContact OG-OD2 3.35Å
131R97.1Very high97Very high190 Ų19099.8 Ų99.872%0.71751%0.507SS*.THydrogen-bonded Turntrans-60.3-24.7171.8-59.9176-175.2174.42.9112.5E128 V129E128-R131 WeakPolarHBondContact O-CB 3.45Å; E128-R131 PolarHBondContact O-N 3.47Å; V129-R131 PolarHBondContact O-N 3.5Å; V129-R131 VanDerWaalsContact O-N 3.11Å
132W96.5Very high96.9Very high165 Ų16599.2 Ų99.263%0.62550%0.502SS*.THydrogen-bonded Turntrans-86.8-8.8178.8-62.791.1000113.5V129 S130 G134 V135 I136V129-W132 WeakPolarHBondContact O-CB 3.39Å; V129-W132 PolarHBondContact O-N 3.04Å; S130-W132 PolarHBondContact O-N 2.93Å; S130-W132 VanDerWaalsContact O-N 3.14Å; W132-G134 PolarHBondContact O-N 3.44Å; W132-V135 HydrophobicContact CE3-CG2 4.47Å; W132-V135 PolarHBondContact O-N 2.85Å; W132-I136 HydrophobicContact CB-CD1 4.33Å; W132-I136 WeakPolarHBondContact O-CG1 3.39Å; W132-I136 PolarHBondContact O-N 3.1Å
133D96.9Very high96.8Very high68 Ų68102 Ų10236%0.36452%0.517SS..Hα-helixtrans-55.8-39.9-178.6-67.7-22.2000111.5S130 V135 I136 I137S130-D133 VanDerWaalsContact CA-OD2 3.26Å; S130-D133 WeakPolarHBondContact CA-OD2 3.37Å; S130-D133 WeakPolarHBondContact CB-OD2 3.26Å; S130-D133 VanDerWaalsContact O-CB 3.27Å; S130-D133 WeakPolarHBondContact O-CB 3.35Å; S130-D133 PolarHBondContact O-N 3.47Å; S130-D133 PolarHBondContact OG-OD2 3.35Å; D133-V135 PolarHBondContact O-N 3.49Å; D133-I136 PolarHBondContact O-N 3Å; D133-I137 WeakPolarHBondContact O-CB 3.27Å; D133-I137 WeakPolarHBondContact O-CD1 3.33Å; D133-I137 WeakPolarHBondContact O-CG1 3.39Å; D133-I137 PolarHBondContact O-N 3.47Å
134G96.8Very high96.5Very high49 Ų49103.3 Ų103.351%0.50552%0.524SS..Hα-helixtrans-60.6-42.9177.700000113.2W132 Q138W132-G134 PolarHBondContact O-N 3.44Å; G134-Q138 WeakPolarHBondContact O-CB 3.38Å; G134-Q138 PolarHBondContact O-N 3.27Å
135V95.2Very high96.3Very high62 Ų62100.4 Ų100.438%0.37651%0.514SS..Hα-helixtrans-69.9-40.1178.1-1790000110.5W132 D133 Q138 N139W132-V135 HydrophobicContact CE3-CG2 4.47Å; W132-V135 PolarHBondContact O-N 2.85Å; D133-V135 PolarHBondContact O-N 3.49Å; V135-Q138 PolarHBondContact O-N 3.29Å; V135-N139 WeakPolarHBondContact O-CB 3.49Å; V135-N139 VanDerWaalsContact O-CG 3.25Å; V135-N139 PolarHBondContact O-N 3.42Å
136I95.8Very high96Very high78 Ų78103.7 Ų103.740%0.453%0.525SS..Hα-helixtrans-62.8-48.3177.3-65.1166000110.3W132 D133 Q138 N139 Q140W132-I136 HydrophobicContact CB-CD1 4.33Å; W132-I136 WeakPolarHBondContact O-CG1 3.39Å; W132-I136 PolarHBondContact O-N 3.1Å; D133-I136 PolarHBondContact O-N 3Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 3.44Å; I136-N139 PolarHBondContact O-N 3.17Å; I136-Q140 HydrophobicContact CG2-CG 4.41Å; I136-Q140 WeakPolarHBondContact O-CB 3.47Å; I136-Q140 WeakPolarHBondContact O-CG 3.19Å; I136-Q140 PolarHBondContact O-N 2.91Å
137I97.2Very high95.6Very high70 Ų70109 Ų10936%0.35954%0.54SS..Hα-helixtrans-62.1-42.1178.1-68.6165.4000110.6D133 N139 Q140 R141D133-I137 WeakPolarHBondContact O-CB 3.27Å; D133-I137 WeakPolarHBondContact O-CD1 3.33Å; D133-I137 WeakPolarHBondContact O-CG1 3.39Å; D133-I137 PolarHBondContact O-N 3.47Å; I137-N139 VanDerWaalsContact C-N 3.34Å; I137-N139 PolarHBondContact O-N 3.07Å; I137-Q140 PolarHBondContact O-N 2.77Å; I137-R141 HydrophobicContact CG2-CG 4.34Å; I137-R141 VanDerWaalsContact CG2-CZ 3.46Å; I137-R141 WeakPolarHBondContact O-CB 3.4Å; I137-R141 VanDerWaalsContact O-CG 3.27Å; I137-R141 WeakPolarHBondContact O-CG 3.3Å; I137-R141 PolarHBondContact O-N 3.03Å
138Q95.8Very high95.3Very high134 Ų134110.2 Ų110.263%0.62655%0.546SS*.Hα-helixtrans-60.7-44.4176.1-176.9176.9-2.200111.4G134 V135 I136 R141 A142G134-Q138 WeakPolarHBondContact O-CB 3.38Å; G134-Q138 PolarHBondContact O-N 3.27Å; V135-Q138 PolarHBondContact O-N 3.29Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 3.44Å; Q138-R141 PolarHBondContact O-N 3.3Å; Q138-A142 PolarHBondContact O-N 2.8Å
139N95.1Very high94.7Very high52 Ų52109.3 Ų109.328%0.27854%0.544SS..Hα-helixtrans-67.9-35.6177.6-70.9-11000112.5V135 I136 I137 A142 L145V135-N139 WeakPolarHBondContact O-CB 3.49Å; V135-N139 VanDerWaalsContact O-CG 3.25Å; V135-N139 PolarHBondContact O-N 3.42Å; I136-N139 PolarHBondContact O-N 3.17Å; I137-N139 VanDerWaalsContact C-N 3.34Å; I137-N139 PolarHBondContact O-N 3.07Å; N139-A142 PolarHBondContact O-N 3.03Å; N139-L145 HydrophobicContact CB-CD1 4.47Å; N139-L145 HydrophobicContact CB-CD2 4.3Å
140Q95.8Very high93.9Very high150 Ų150112 Ų11270%0.70156%0.556SS**Hα-helixtrans-69.1-33.2175-75.2178.22.100112.9I136 I137I136-Q140 HydrophobicContact CG2-CG 4.41Å; I136-Q140 WeakPolarHBondContact O-CB 3.47Å; I136-Q140 WeakPolarHBondContact O-CG 3.19Å; I136-Q140 PolarHBondContact O-N 2.91Å; I137-Q140 PolarHBondContact O-N 2.77Å
141R96.9Very high93Very high203 Ų203115.2 Ų115.277%0.76656%0.564SS**Hα-helixtrans-81.9-16.7177.4-71.3177-177.6174.83.3113.2I137 Q138 E143I137-R141 HydrophobicContact CG2-CG 4.34Å; I137-R141 VanDerWaalsContact CG2-CZ 3.46Å; I137-R141 WeakPolarHBondContact O-CB 3.4Å; I137-R141 VanDerWaalsContact O-CG 3.27Å; I137-R141 WeakPolarHBondContact O-CG 3.3Å; I137-R141 PolarHBondContact O-N 3.03Å; Q138-R141 PolarHBondContact O-N 3.3Å; R141-E143 PolarHBondContact O-N 3.43Å
142A95.5Very high92.1Very high43 Ų43113.1 Ų113.136%0.35557%0.567SS.*  trans-70.8128179.400000110.4Q138 N139 Q144 L145Q138-A142 PolarHBondContact O-N 2.8Å; N139-A142 PolarHBondContact O-N 3.03Å; A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 2.7Å; A142-L145 HydrophobicContact CB-CD2 3.79Å
143E95.3Very high91.1Very high206 Ų206111 Ų11196%0.96358%0.575SS**SBendtrans-67.2-33178.6-63.7179.2170.200112.4R141R141-E143 PolarHBondContact O-N 3.43Å
144Q93.7Very high89.7Confident151 Ų151112.7 Ų112.771%0.70660%0.598SS**  trans-137131.9177.4-172.6176.41000110.5A142 L146A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 2.7Å; Q144-L146 HydrophobicContact CG-CD2 4.2Å
145L93.4Very high88.7Confident73 Ų73112.7 Ų112.738%0.38260%0.598SS.*  trans-107.4124.5170.1-63.2176.4000109N139 A142 F147N139-L145 HydrophobicContact CB-CD1 4.47Å; N139-L145 HydrophobicContact CB-CD2 4.3Å; A142-L145 HydrophobicContact CB-CD2 3.79Å; L145-F147 HydrophobicContact CB-CE2 3.85Å; L145-F147 HydrophobicContact CB-CZ 4.22Å; L145-F147 HydrophobicContact CD1-CZ 4.39Å
146L90.6Very high87.6Confident116 Ų116116.1 Ų116.161%0.60762%0.622SS**  trans-101.7122.9176.2-64.6177.4000109.4Q144Q144-L146 HydrophobicContact CG-CD2 4.2Å
147F91.4Very high86.4Confident154 Ų154119 Ų11968%0.67563%0.631SS**SBendtrans-106.1140.5176.4-67.4-77.5000110.5L145 L149L145-F147 HydrophobicContact CB-CE2 3.85Å; L145-F147 HydrophobicContact CB-CZ 4.22Å; L145-F147 HydrophobicContact CD1-CZ 4.39Å; F147-L149 HydrophobicContact CD1-CB 4.1Å; F147-L149 HydrophobicContact CE1-CB 4.15Å
148P90.4Very high85.4Confident88 Ų88119.6 Ų119.657%0.57164%0.639SS**SBendcis-75.5136.76.827.7-31.4000113.3Q151P148-Q151 HydrophobicContact CG-CG 4.31Å; P148-Q151 WeakPolarHBondContact O-CG 3.27Å; P148-Q151 PolarHBondContact O-NE2 3.3Å
149L84.1Confident84.2Confident90 Ų90118.5 Ų118.547%0.47164%0.642SS.*SBendtrans-72-38.7-175.6-174.963.8000112.3F147 Q151F147-L149 HydrophobicContact CD1-CB 4.1Å; F147-L149 HydrophobicContact CE1-CB 4.15Å; L149-Q151 PolarHBondContact O-N 2.98Å
150N81.8Confident83.1Confident150 Ų150123.6 Ų123.680%0.80266%0.664SS**SBendtrans-93.974.3175.2-63.3-26.9000109D152N150-D152 PolarHBondContact O-N 2.98Å
151Q78.3Confident81.8Confident127 Ų127125.2 Ų125.259%0.59366%0.663SS**  trans-70.9129.2172.1-57.4-169-3.400108.6P148 L149P148-Q151 HydrophobicContact CG-CG 4.31Å; P148-Q151 WeakPolarHBondContact O-CG 3.27Å; P148-Q151 PolarHBondContact O-NE2 3.3Å; L149-Q151 PolarHBondContact O-N 2.98Å
152D76.9Confident80.4Confident147 Ų147120.3 Ų120.379%0.78665%0.652SS**  trans-53.7138.8162.9-77.2-33.4000107.9N150 A154N150-D152 PolarHBondContact O-N 2.98Å; D152-A154 PolarHBondContact O-N 2.97Å
153P76.1Confident79.3Confident120 Ų120123 Ų12378%0.77966%0.664SS**  trans-54112.6-17622.2-33.2000109G155P153-G155 PolarHBondContact O-N 3.36Å
154A68Low78.2Confident103 Ų103119.4 Ų119.485%0.85166%0.656SS**  trans-68.599.2177.500000107.7D152D152-A154 PolarHBondContact O-N 2.97Å
155G74.8Confident77.2Confident50 Ų50115 Ų11552%0.51565%0.65SS.*SBendtrans179.3161-179.500000112.5P153 K157P153-G155 PolarHBondContact O-N 3.36Å; G155-K157 PolarHBondContact O-N 3.4Å
156P72.3Confident76.6Confident133 Ų133119 Ų11986%0.86466%0.661SS**PPolyproline II helixtrans-58.4123.3171.525-31.7000108.5
157K70.9Confident76.3Confident140 Ų140121.5 Ų121.561%0.60967%0.667SS**PPolyproline II helixtrans-54.8137.9175-66.4178.6-178.8176.40107.9G155 V159 L162G155-K157 PolarHBondContact O-N 3.4Å; K157-V159 PolarHBondContact O-N 3.41Å; K157-L162 HydrophobicContact CB-CD2 4.25Å; K157-L162 HydrophobicContact CB-CG 4.46Å
158P76.1Confident76.1Confident81 Ų81115.2 Ų115.253%0.52664%0.643SS.*PPolyproline II helixtrans-46.7134.9176.5-2833.8000110.1E160 R161 L162P158-E160 PolarHBondContact O-N 2.78Å; P158-R161 WeakPolarHBondContact O-CB 3.32Å; P158-R161 PolarHBondContact O-N 3.43Å; P158-L162 PolarHBondContact O-N 3.14Å
159V71.3Confident75.9Confident111 Ų111121.5 Ų121.567%0.67366%0.655SS**Hα-helixtrans-51.7-35.4-174.5176.90000111.1K157 R161 L162 V163K157-V159 PolarHBondContact O-N 3.41Å; V159-R161 VanDerWaalsContact C-N 3.29Å; V159-R161 PolarHBondContact O-N 3.17Å; V159-L162 WeakPolarHBondContact O-CB 3.49Å; V159-L162 PolarHBondContact O-N 3.46Å; V159-V163 HydrophobicContact CG1-CG2 4.23Å; V159-V163 WeakPolarHBondContact O-CG2 3.33Å; V159-V163 PolarHBondContact O-N 2.94Å
160E71.4Confident76.3Confident159 Ų159119.9 Ų119.974%0.74365%0.649SS**Hα-helixtrans-51.7-42.9173.2-62.7170.6-174.400113.3P158 L162 V163 V164P158-E160 PolarHBondContact O-N 2.78Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.38Å; E160-V163 PolarHBondContact O-N 3.45Å; E160-V164 VanDerWaalsContact O-CG2 3.3Å; E160-V164 WeakPolarHBondContact O-CG2 3.3Å; E160-V164 PolarHBondContact O-N 3.32Å
161R68Low76.8Confident184 Ų184117.3 Ų117.369%0.69464%0.641SS**Hα-helixtrans-72.5-26.4179.8-134.6176.3-170.7179.21.8112.4P158 V159P158-R161 WeakPolarHBondContact O-CB 3.32Å; P158-R161 PolarHBondContact O-N 3.43Å; V159-R161 VanDerWaalsContact C-N 3.29Å; V159-R161 PolarHBondContact O-N 3.17Å
162L67.6Low77.4Confident100 Ų100116.6 Ų116.652%0.52464%0.64SS.*Hα-helixtrans-76.6-40175.5-61.1174.9000111.2K157 P158 V159 E160 G165 W166K157-L162 HydrophobicContact CB-CD2 4.25Å; K157-L162 HydrophobicContact CB-CG 4.46Å; P158-L162 PolarHBondContact O-N 3.14Å; V159-L162 WeakPolarHBondContact O-CB 3.49Å; V159-L162 PolarHBondContact O-N 3.46Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.38Å; L162-G165 PolarHBondContact O-N 2.69Å; L162-W166 PolarHBondContact O-N 2.85Å
163V73.4Confident77.9Confident99 Ų99112.6 Ų112.660%0.662%0.617SS**Hα-helixtrans-65.4-39.3178.3178.70000111.2V159 E160 G165 W166V159-V163 HydrophobicContact CG1-CG2 4.23Å; V159-V163 WeakPolarHBondContact O-CG2 3.33Å; V159-V163 PolarHBondContact O-N 2.94Å; E160-V163 PolarHBondContact O-N 3.45Å; V163-G165 PolarHBondContact O-N 3.09Å; V163-W166 PolarHBondContact O-N 3.43Å
164V72.8Confident78.6Confident131 Ų131111.9 Ų111.979%0.79460%0.603SS**Hα-helixtrans-63.2-28.6178.2172.60000112.9E160E160-V164 VanDerWaalsContact O-CG2 3.3Å; E160-V164 WeakPolarHBondContact O-CG2 3.3Å; E160-V164 PolarHBondContact O-N 3.32Å
165G72.1Confident79.7Confident58 Ų58112.9 Ų112.960%0.59859%0.59SS**THydrogen-bonded Turntrans-93.1-2.8178.900000114.9L162 V163L162-G165 PolarHBondContact O-N 2.69Å; V163-G165 PolarHBondContact O-N 3.09Å
166W81.4Confident80.2Confident158 Ų158114.4 Ų114.460%0.59859%0.586SS**  trans-76.6131.9-174.9-173.586.5000111.2L162 V163 F177L162-W166 PolarHBondContact O-N 2.85Å; V163-W166 PolarHBondContact O-N 3.43Å; W166-F177 HydrophobicContact CZ3-CD2 4.4Å
167K83.9Confident80.8Confident169 Ų169113.5 Ų113.574%0.73557%0.569SS**  trans-134.4138.8178-65.9-177.3178.6-1790109R169K167-R169 PolarHBondContact O-N 3.13Å
168A87.3Confident81.5Confident21 Ų21109.8 Ų109.817%0.17456%0.56CS.*  trans-60.212317200000110.6E173 Q174 F177A168-E173 HydrophobicContact CB-CB 3.65Å; A168-Q174 HydrophobicContact CB-CG 3.91Å; A168-F177 HydrophobicContact CB-CB 4.25Å
169R86.5Confident82Confident220 Ų220111 Ų11183%0.8356%0.562SS**  trans-105.5-37.2-178.8-66.7-175.3-177.5-170.80.1112.1K167 E173K167-R169 PolarHBondContact O-N 3.13Å; R169-E173 PolarHBondContact N-OE2 3.39Å
170T92.6Very high82.4Confident57 Ų57110 Ų11035%0.3555%0.552SS.*SBendtrans-83151.9-178.967.90000111L172 E173 Q174T170-L172 PolarHBondContact O-N 3.25Å; T170-E173 VanDerWaalsContact CG2-OE1 3.28Å; T170-E173 WeakPolarHBondContact CG2-OE1 3.1Å; T170-E173 PolarHBondContact N-OE2 3.24Å; T170-E173 VanDerWaalsContact N-OE2 3.16Å; T170-E173 PolarHBondContact O-N 3.35Å; T170-E173 VanDerWaalsContact O-N 3.11Å; T170-E173 VanDerWaalsContact OG1-CB 3.28Å; T170-E173 WeakPolarHBondContact OG1-CB 3.4Å; T170-E173 WeakPolarHBondContact OG1-CG 3.41Å; T170-E173 PolarHBondContact OG1-N 3.25Å; T170-E173 VanDerWaalsContact OG1-N 3.13Å; T170-E173 PolarHBondContact OG1-OE1 2.89Å; T170-Q174 WeakPolarHBondContact O-CG 3.38Å; T170-Q174 PolarHBondContact O-N 3.42Å
171P91.5Very high82.7Confident96 Ų96105.7 Ų105.762%0.62354%0.539SS*.Hα-helixtrans-58.2-39.2178.522.7-33.1000111.2Q174 E175P171-Q174 PolarHBondContact O-N 3.38Å; P171-E175 WeakPolarHBondContact O-CG 3.24Å; P171-E175 PolarHBondContact O-N 3.25Å
172L90.3Very high83.4Confident111 Ų111100.7 Ų100.758%0.58154%0.537SS*.Hα-helixtrans-63.2-43.6174.5178.6140.3000112.4T170 Q174 E175 I176T170-L172 PolarHBondContact O-N 3.25Å; L172-Q174 VanDerWaalsContact C-N 3.3Å; L172-Q174 PolarHBondContact O-N 2.64Å; L172-E175 PolarHBondContact O-N 3.01Å; L172-I176 HydrophobicContact CD2-CD1 3.4Å; L172-I176 VanDerWaalsContact CD2-CD1 3.4Å; L172-I176 HydrophobicContact CG-CD1 3.88Å; L172-I176 WeakPolarHBondContact O-CB 3.3Å; L172-I176 WeakPolarHBondContact O-CD1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.44Å; L172-I176 PolarHBondContact O-N 2.83Å
173E87.1Confident83.9Confident63 Ų63101 Ų10129%0.29454%0.539SS..Hα-helixtrans-63.9-35.6174.7-75.5156.2-147.400112.5A168 R169 T170 F177A168-E173 HydrophobicContact CB-CB 3.65Å; R169-E173 PolarHBondContact N-OE2 3.39Å; T170-E173 VanDerWaalsContact CG2-OE1 3.28Å; T170-E173 WeakPolarHBondContact CG2-OE1 3.1Å; T170-E173 PolarHBondContact N-OE2 3.24Å; T170-E173 VanDerWaalsContact N-OE2 3.16Å; T170-E173 PolarHBondContact O-N 3.35Å; T170-E173 VanDerWaalsContact O-N 3.11Å; T170-E173 VanDerWaalsContact OG1-CB 3.28Å; T170-E173 WeakPolarHBondContact OG1-CB 3.4Å; T170-E173 WeakPolarHBondContact OG1-CG 3.41Å; T170-E173 PolarHBondContact OG1-N 3.25Å; T170-E173 VanDerWaalsContact OG1-N 3.13Å; T170-E173 PolarHBondContact OG1-OE1 2.89Å; E173-F177 VanDerWaalsContact O-CB 3.22Å; E173-F177 WeakPolarHBondContact O-CB 3.46Å; E173-F177 PolarHBondContact O-N 3Å
174Q91.4Very high83.3Confident106 Ų106105.2 Ų105.250%0.49555%0.55SS..Hα-helixtrans-69-43.5178.6-70.7172.59.800111A168 T170 P171 L172 F177 S178A168-Q174 HydrophobicContact CB-CG 3.91Å; T170-Q174 WeakPolarHBondContact O-CG 3.38Å; T170-Q174 PolarHBondContact O-N 3.42Å; P171-Q174 PolarHBondContact O-N 3.38Å; L172-Q174 VanDerWaalsContact C-N 3.3Å; L172-Q174 PolarHBondContact O-N 2.64Å; Q174-F177 PolarHBondContact O-N 3.04Å; Q174-S178 VanDerWaalsContact O-CB 3.32Å; Q174-S178 WeakPolarHBondContact O-CB 3.18Å; Q174-S178 PolarHBondContact O-N 3.32Å; Q174-S178 PolarHBondContact O-OG 3.47Å
175E90.3Very high82.6Confident124 Ų124104 Ų10458%0.57954%0.536SS*.Hα-helixtrans-59.4-50.3172.5-73.8175.5-17100110.5P171 L172 F177 S178 L179P171-E175 WeakPolarHBondContact O-CG 3.24Å; P171-E175 PolarHBondContact O-N 3.25Å; L172-E175 PolarHBondContact O-N 3.01Å; E175-F177 PolarHBondContact O-N 3.1Å; E175-S178 PolarHBondContact O-N 3.02Å; E175-S178 PolarHBondContact O-OG 3.22Å; E175-L179 VanDerWaalsContact O-CG 3.28Å; E175-L179 WeakPolarHBondContact O-CG 3.29Å; E175-L179 PolarHBondContact O-N 2.81Å
176I85.2Confident81.5Confident81 Ų81106.7 Ų106.742%0.41554%0.542SS..Hα-helixtrans-59.4-45.3177.9-69.2168000111.4L172 S178 L179 L180L172-I176 HydrophobicContact CD2-CD1 3.4Å; L172-I176 VanDerWaalsContact CD2-CD1 3.4Å; L172-I176 HydrophobicContact CG-CD1 3.88Å; L172-I176 WeakPolarHBondContact O-CB 3.3Å; L172-I176 WeakPolarHBondContact O-CD1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.44Å; L172-I176 PolarHBondContact O-N 2.83Å; I176-S178 VanDerWaalsContact C-N 3.35Å; I176-S178 PolarHBondContact O-N 3.45Å; I176-L179 PolarHBondContact O-N 3.34Å; I176-L180 HydrophobicContact CG2-CD1 3.65Å; I176-L180 HydrophobicContact CG2-CG 4.23Å; I176-L180 WeakPolarHBondContact O-CB 3.32Å; I176-L180 WeakPolarHBondContact O-CG 3.27Å; I176-L180 PolarHBondContact O-N 2.9Å
177F85Confident80Confident115 Ų115106.7 Ų106.750%0.50455%0.553SS.*Hα-helixtrans-64.9-38.8177.8-174.6-97000112.1W166 A168 E173 Q174 E175 L180 S181W166-F177 HydrophobicContact CZ3-CD2 4.4Å; A168-F177 HydrophobicContact CB-CB 4.25Å; E173-F177 VanDerWaalsContact O-CB 3.22Å; E173-F177 WeakPolarHBondContact O-CB 3.46Å; E173-F177 PolarHBondContact O-N 3Å; Q174-F177 PolarHBondContact O-N 3.04Å; E175-F177 PolarHBondContact O-N 3.1Å; F177-L180 PolarHBondContact O-N 3.25Å; F177-S181 VanDerWaalsContact O-CB 3.3Å; F177-S181 WeakPolarHBondContact O-CB 3.48Å; F177-S181 PolarHBondContact O-N 2.87Å; F177-S181 PolarHBondContact O-OG 3.32Å
178S87.3Confident78.3Confident61 Ų61104.3 Ų104.343%0.42755%0.553SS.*Hα-helixtrans-63.7-41.4175.576.60000111.6Q174 E175 I176 S181 A182Q174-S178 VanDerWaalsContact O-CB 3.32Å; Q174-S178 WeakPolarHBondContact O-CB 3.18Å; Q174-S178 PolarHBondContact O-N 3.32Å; Q174-S178 PolarHBondContact O-OG 3.47Å; E175-S178 PolarHBondContact O-N 3.02Å; E175-S178 PolarHBondContact O-OG 3.22Å; I176-S178 VanDerWaalsContact C-N 3.35Å; I176-S178 PolarHBondContact O-N 3.45Å; S178-S181 WeakPolarHBondContact CA-OG 3.42Å; S178-S181 PolarHBondContact O-OG 3.33Å; S178-S181 VanDerWaalsContact O-OG 3.05Å; S178-A182 VanDerWaalsContact O-CB 3.22Å; S178-A182 WeakPolarHBondContact O-CB 3.35Å; S178-A182 PolarHBondContact O-N 3.21Å
179L85.6Confident76.3Confident108 Ų108109.4 Ų109.457%0.56558%0.577SS**Hα-helixtrans-68.2-43177.3-68.9173.4000111.9E175 I176 N183E175-L179 VanDerWaalsContact O-CG 3.28Å; E175-L179 WeakPolarHBondContact O-CG 3.29Å; E175-L179 PolarHBondContact O-N 2.81Å; I176-L179 PolarHBondContact O-N 3.34Å; L179-N183 PolarHBondContact O-N 2.95Å; L179-N183 VanDerWaalsContact O-N 3.1Å; L179-N183 PolarHBondContact O-ND2 3.4Å
180L80.2Confident74.9Confident88 Ų88103 Ų10346%0.46156%0.564SS.*Hα-helixtrans-66.7-41.3178.2-72.8171000112.3I176 F177 K184I176-L180 HydrophobicContact CG2-CD1 3.65Å; I176-L180 HydrophobicContact CG2-CG 4.23Å; I176-L180 WeakPolarHBondContact O-CB 3.32Å; I176-L180 WeakPolarHBondContact O-CG 3.27Å; I176-L180 PolarHBondContact O-N 2.9Å; F177-L180 PolarHBondContact O-N 3.25Å; L180-K184 PolarHBondContact O-N 2.86Å
181S78.2Confident73Confident69 Ų69107.1 Ų107.148%0.48359%0.589SS.*Hα-helixtrans-70.4-35.9177.357.10000112.6F177 S178F177-S181 VanDerWaalsContact O-CB 3.3Å; F177-S181 WeakPolarHBondContact O-CB 3.48Å; F177-S181 PolarHBondContact O-N 2.87Å; F177-S181 PolarHBondContact O-OG 3.32Å; S178-S181 WeakPolarHBondContact CA-OG 3.42Å; S178-S181 PolarHBondContact O-OG 3.33Å; S178-S181 VanDerWaalsContact O-OG 3.05Å
182A82.4Confident70.9Confident79 Ų79105.7 Ų105.765%0.65358%0.576SS**Hα-helixtrans-66.2-40.5175.500000112.6S178S178-A182 VanDerWaalsContact O-CB 3.22Å; S178-A182 WeakPolarHBondContact O-CB 3.35Å; S178-A182 PolarHBondContact O-N 3.21Å
183N76.5Confident69.5Low106 Ų106103.8 Ų103.857%0.56757%0.569SS**Hα-helixtrans-84.6-8-176.9-87.4-62.6000114.9L179 Q185L179-N183 PolarHBondContact O-N 2.95Å; L179-N183 VanDerWaalsContact O-N 3.1Å; L179-N183 PolarHBondContact O-ND2 3.4Å; N183-Q185 HydrophobicContact CB-CB 4.33Å; N183-Q185 PolarHBondContact O-N 3.4Å
184K61.8Low68.2Low188 Ų188106.1 Ų106.182%0.81759%0.589SS**THydrogen-bonded Turntrans41.940.1-177.5-65.1-177.7-179.2175.80112.9L180 P186L180-K184 PolarHBondContact O-N 2.86Å; K184-P186 WeakPolarHBondContact O-CD 3.46Å
185Q57.8Low66.6Low107 Ų107104.6 Ų104.650%0.560%0.595SS.*  trans-81.4126.9-164.1-138.7164.3-14.900109.9N183 L187N183-Q185 HydrophobicContact CB-CB 4.33Å; N183-Q185 PolarHBondContact O-N 3.4Å; Q185-L187 PolarHBondContact O-N 3.15Å
186P48.3Very low64.9Low113 Ų113103 Ų10373%0.73459%0.587SS**  trans-62.9123.9160.225.7-28.9000107.6K184 T188K184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-T188 VanDerWaalsContact C-N 3.31Å; P186-T188 PolarHBondContact O-N 2.98Å
187L51.7Low63.7Low158 Ų158102.9 Ų102.983%0.82759%0.585SS**SBendtrans-68.184.4-177.9-16394.3000109.8Q185Q185-L187 PolarHBondContact O-N 3.15Å
188T47.8Very low62.6Low119 Ų119100.2 Ų100.273%0.7358%0.584SS**  trans-170.792.8152.3-55.70000108.6P186P186-T188 VanDerWaalsContact C-N 3.31Å; P186-T188 PolarHBondContact O-N 2.98Å
189D45.1Very low61.1Low128 Ų128101 Ų10168%0.68459%0.59SS**  trans-113.9124.7141.4-79.9-35.5000105.5V191D189-V191 PolarHBondContact O-N 3.3Å
190P56.1Low59.7Low86 Ų8699 Ų9956%0.55858%0.582SS**  trans-66.6126.9-177.526.5-31.6000109.4L192P190-L192 PolarHBondContact O-N 2.96Å; P190-L192 VanDerWaalsContact O-N 3.09Å
191V53.5Low58.7Low143 Ų143101.9 Ų101.987%0.86759%0.591SS**SBendtrans-64.4-13.3-176.2177.40000112.5D189D189-V191 PolarHBondContact O-N 3.3Å
192L47.7Very low57.9Low67 Ų67102 Ų10235%0.35160%0.596SS.*SBendtrans-113.4139.1-177.8-108.568000112P190 E196 E197 V200P190-L192 PolarHBondContact O-N 2.96Å; P190-L192 VanDerWaalsContact O-N 3.09Å; L192-E196 HydrophobicContact CB-CB 4.24Å; L192-E196 HydrophobicContact CD2-CB 3.76Å; L192-E196 HydrophobicContact CG-CB 3.65Å; L192-E197 HydrophobicContact CB-CG 3.64Å; L192-E197 HydrophobicContact CD2-CG 4.43Å; L192-V200 HydrophobicContact CD2-CB 4.43Å; L192-V200 HydrophobicContact CD2-CG2 3.78Å
193T59.8Low56.6Low71 Ų71105.1 Ų105.144%0.43660%0.599SS.*  trans-67.6153.1171.663.40000110.6A195 E196 E197T193-A195 PolarHBondContact O-N 3.43Å; T193-E196 WeakPolarHBondContact CB-OE2 3.48Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.48Å; T193-E196 PolarHBondContact N-OE2 2.87Å; T193-E196 WeakPolarHBondContact O-CA 3.49Å; T193-E196 PolarHBondContact O-N 3.21Å; T193-E196 WeakPolarHBondContact OG1-CG 3.35Å; T193-E196 PolarHBondContact OG1-N 3.32Å; T193-E196 PolarHBondContact OG1-OE2 2.86Å; T193-E197 PolarHBondContact O-N 3.05Å
194P61.3Low55.9Low111 Ų111102.2 Ų102.272%0.72159%0.587SS**Hα-helixtrans-60-22.5-17722.3-33.8000113.6A198P194-A198 WeakPolarHBondContact O-CB 3.49Å; P194-A198 PolarHBondContact O-N 3.06Å
195A57.1Low56.1Low74 Ų74100 Ų10061%0.61258%0.583SS**Hα-helixtrans-75.3-40.3172.600000112.2T193 A198 S199T193-A195 PolarHBondContact O-N 3.43Å; A195-A198 PolarHBondContact O-N 2.9Å; A195-S199 PolarHBondContact O-N 3.02Å
196E55.7Low57Low91 Ų91101.9 Ų101.943%0.42559%0.592SS.*Hα-helixtrans-71.2-39.6176.1-68.7161.8157.900110.9L192 T193 A198 S199 V200L192-E196 HydrophobicContact CB-CB 4.24Å; L192-E196 HydrophobicContact CD2-CB 3.76Å; L192-E196 HydrophobicContact CG-CB 3.65Å; T193-E196 WeakPolarHBondContact CB-OE2 3.48Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.48Å; T193-E196 PolarHBondContact N-OE2 2.87Å; T193-E196 WeakPolarHBondContact O-CA 3.49Å; T193-E196 PolarHBondContact O-N 3.21Å; T193-E196 WeakPolarHBondContact OG1-CG 3.35Å; T193-E196 PolarHBondContact OG1-N 3.32Å; T193-E196 PolarHBondContact OG1-OE2 2.86Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.25Å; E196-S199 WeakPolarHBondContact CA-OG 3.43Å; E196-S199 PolarHBondContact O-N 3.38Å; E196-S199 VanDerWaalsContact O-N 3.11Å; E196-S199 PolarHBondContact O-OG 3.21Å; E196-V200 WeakPolarHBondContact O-CG2 3.36Å; E196-V200 PolarHBondContact O-N 3.25Å
197E59.2Low58.4Low78 Ų78100.6 Ų100.636%0.36458%0.576SS.*Hα-helixtrans-61.2-37.5173.1-65.6-168.7161.100112.1L192 T193 K201L192-E197 HydrophobicContact CB-CG 3.64Å; L192-E197 HydrophobicContact CD2-CG 4.43Å; T193-E197 PolarHBondContact O-N 3.05Å; E197-K201 WeakPolarHBondContact O-CB 3.37Å; E197-K201 PolarHBondContact O-N 2.71Å
198A62.4Low59.5Low59 Ų5994.7 Ų94.749%0.48855%0.55SS.*Hα-helixtrans-68.1-35.4174.700000112.1P194 A195 E196 A202P194-A198 WeakPolarHBondContact O-CB 3.49Å; P194-A198 PolarHBondContact O-N 3.06Å; A195-A198 PolarHBondContact O-N 2.9Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.25Å; A198-A202 VanDerWaalsContact O-CB 3.31Å; A198-A202 WeakPolarHBondContact O-CB 3.22Å; A198-A202 PolarHBondContact O-N 3.11Å; A198-A202 VanDerWaalsContact O-N 3.09Å
199S55.8Low61Low77 Ų7795.9 Ų95.954%0.53855%0.545SS..Hα-helixtrans-73.6-37.3177.174.50000113.4A195 E196 A202A195-S199 PolarHBondContact O-N 3.02Å; E196-S199 WeakPolarHBondContact CA-OG 3.43Å; E196-S199 PolarHBondContact O-N 3.38Å; E196-S199 VanDerWaalsContact O-N 3.11Å; E196-S199 PolarHBondContact O-OG 3.21Å; S199-A202 PolarHBondContact O-N 2.91Å
200V56Low62.9Low66 Ų6694.3 Ų94.340%0.454%0.536SS..Hα-helixtrans-72.4-38.3173.9174.90000110.3L192 E196 A202L192-V200 HydrophobicContact CD2-CB 4.43Å; L192-V200 HydrophobicContact CD2-CG2 3.78Å; E196-V200 WeakPolarHBondContact O-CG2 3.36Å; E196-V200 PolarHBondContact O-N 3.25Å; V200-A202 PolarHBondContact O-N 3.12Å
201K58.4Low64Low149 Ų14997.6 Ų97.665%0.64854%0.537SS*.Hα-helixtrans-63.6-20.8169.5-98.7171.3173.5157.70114.1E197 M203E197-K201 WeakPolarHBondContact O-CB 3.37Å; E197-K201 PolarHBondContact O-N 2.71Å; K201-M203 PolarHBondContact O-N 3.16Å
202A60.9Low65Low73 Ų7399.1 Ų99.160%0.60353%0.527SS*.THydrogen-bonded Turntrans-81.116.4-176.600000114.5A198 S199 V200A198-A202 VanDerWaalsContact O-CB 3.31Å; A198-A202 WeakPolarHBondContact O-CB 3.22Å; A198-A202 PolarHBondContact O-N 3.11Å; A198-A202 VanDerWaalsContact O-N 3.09Å; S199-A202 PolarHBondContact O-N 2.91Å; V200-A202 PolarHBondContact O-N 3.12Å
203M54.8Low66.8Low144 Ų14497.6 Ų97.671%0.70953%0.525SS*.  trans95.799.6158.1-51.8-83.6-89.700116.2K201 A208K201-M203 PolarHBondContact O-N 3.16Å; M203-A208 HydrophobicContact CE-CB 3.92Å; M203-A208 HydrophobicContact SD-CB 4.25Å
204S63.8Low68Low44 Ų4499.1 Ų99.131%0.30853%0.527SS..  trans-82.5140.8146.276.50000109.4E206 E207 A208S204-E206 PolarHBondContact O-N 2.88Å; S204-E206 VanDerWaalsContact O-N 3.12Å; S204-E207 PolarHBondContact O-N 3.28Å; S204-E207 VanDerWaalsContact OG-CB 3.32Å; S204-E207 WeakPolarHBondContact OG-CB 3.36Å; S204-E207 VanDerWaalsContact OG-CG 3.24Å; S204-E207 WeakPolarHBondContact OG-CG 3.16Å; S204-E207 PolarHBondContact OG-N 3.21Å; S204-E207 VanDerWaalsContact OG-N 3.13Å; S204-E207 PolarHBondContact OG-OE1 2.88Å; S204-A208 PolarHBondContact O-N 3.47Å; S204-A208 VanDerWaalsContact O-N 3.16Å
205L65.9Low69.1Low143 Ų14398.6 Ų98.675%0.74952%0.517SS*.Hα-helixtrans-58-26.6177.3-69.7174.1000112.1K209L205-K209 WeakPolarHBondContact O-CB 3.49Å; L205-K209 WeakPolarHBondContact O-CD 3.47Å; L205-K209 WeakPolarHBondContact O-CG 3.32Å; L205-K209 PolarHBondContact O-N 3.28Å
206E76.1Confident70.2Confident145 Ų145100.3 Ų100.368%0.67851%0.513SS*.Hα-helixtrans-76.3-44.8-178.7-62.3-174.9170.600111.5S204 A208 K209 I210S204-E206 PolarHBondContact O-N 2.88Å; S204-E206 VanDerWaalsContact O-N 3.12Å; E206-A208 PolarHBondContact O-N 3.44Å; E206-K209 WeakPolarHBondContact O-CB 3.45Å; E206-K209 PolarHBondContact O-N 3.19Å; E206-I210 VanDerWaalsContact O-CG1 3.27Å; E206-I210 WeakPolarHBondContact O-CG1 3.48Å; E206-I210 PolarHBondContact O-N 3.29Å
207E77.4Confident71.8Confident87 Ų87102.8 Ų102.841%0.40752%0.522SS..Hα-helixtrans-66.3-37.5175.6-75.4171.9-142.300112.5S204 K209 I210 R211S204-E207 PolarHBondContact O-N 3.28Å; S204-E207 VanDerWaalsContact OG-CB 3.32Å; S204-E207 WeakPolarHBondContact OG-CB 3.36Å; S204-E207 VanDerWaalsContact OG-CG 3.24Å; S204-E207 WeakPolarHBondContact OG-CG 3.16Å; S204-E207 PolarHBondContact OG-N 3.21Å; S204-E207 VanDerWaalsContact OG-N 3.13Å; S204-E207 PolarHBondContact OG-OE1 2.88Å; E207-K209 VanDerWaalsContact C-N 3.3Å; E207-K209 PolarHBondContact O-N 2.83Å; E207-I210 PolarHBondContact O-N 3.23Å; E207-R211 WeakPolarHBondContact O-CB 3.38Å; E207-R211 PolarHBondContact O-N 3.38Å
208A74.9Confident73Confident34 Ų34101 Ų10128%0.28152%0.521SS..Hα-helixtrans-63-37.7173.800000111.9M203 S204 E206 R212M203-A208 HydrophobicContact CE-CB 3.92Å; M203-A208 HydrophobicContact SD-CB 4.25Å; S204-A208 PolarHBondContact O-N 3.47Å; S204-A208 VanDerWaalsContact O-N 3.16Å; E206-A208 PolarHBondContact O-N 3.44Å; A208-R212 VanDerWaalsContact O-CB 3.24Å; A208-R212 WeakPolarHBondContact O-CB 3.31Å; A208-R212 PolarHBondContact O-N 3.48Å
209K79.6Confident74.1Confident144 Ų144106.7 Ų106.763%0.62653%0.53SS*.Hα-helixtrans-67.8-42.2173.7-75.1168.5-1741770111.7L205 E206 E207 R212 A213L205-K209 WeakPolarHBondContact O-CB 3.49Å; L205-K209 WeakPolarHBondContact O-CD 3.47Å; L205-K209 WeakPolarHBondContact O-CG 3.32Å; L205-K209 PolarHBondContact O-N 3.28Å; E206-K209 WeakPolarHBondContact O-CB 3.45Å; E206-K209 PolarHBondContact O-N 3.19Å; E207-K209 VanDerWaalsContact C-N 3.3Å; E207-K209 PolarHBondContact O-N 2.83Å; K209-R212 PolarHBondContact O-N 3.06Å; K209-A213 WeakPolarHBondContact O-CB 3.34Å; K209-A213 PolarHBondContact O-N 2.8Å
210I84.9Confident75.7Confident94 Ų94104.9 Ų104.948%0.48252%0.519SS..Hα-helixtrans-63.7-51.5177.7-68.5163.3000110.3E206 E207 R212 A213 E214E206-I210 VanDerWaalsContact O-CG1 3.27Å; E206-I210 WeakPolarHBondContact O-CG1 3.48Å; E206-I210 PolarHBondContact O-N 3.29Å; E207-I210 PolarHBondContact O-N 3.23Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.75Å; I210-A213 CarbonylContact O-C 3.59Å; I210-A213 WeakPolarHBondContact O-CB 3.36Å; I210-A213 PolarHBondContact O-N 2.69Å; I210-E214 HydrophobicContact CG2-CG 4.31Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.46Å; I210-E214 WeakPolarHBondContact O-CB 3.25Å; I210-E214 VanDerWaalsContact O-CG 3.32Å; I210-E214 WeakPolarHBondContact O-CG 3.3Å; I210-E214 PolarHBondContact O-N 3.09Å
211R78.2Confident77.4Confident156 Ų156107.4 Ų107.459%0.58953%0.53SS*.Hα-helixtrans-55.8-41.7174.9-84.1-86.5179.185.71.1112.2E207 E214 L215E207-R211 WeakPolarHBondContact O-CB 3.38Å; E207-R211 PolarHBondContact O-N 3.38Å; R211-E214 PolarHBondContact O-N 3.02Å; R211-L215 WeakPolarHBondContact O-CB 2.85Å; R211-L215 VanDerWaalsContact O-CG 3.27Å; R211-L215 WeakPolarHBondContact O-CG 3.46Å; R211-L215 PolarHBondContact O-N 2.88Å
212R75.8Confident78.9Confident174 Ų174106.2 Ų106.266%0.65753%0.526SS*.Hα-helixtrans-65.4-43176.2-176.7175.1178.8150.4-1.4111.6A208 K209 I210 L215 Q216A208-R212 VanDerWaalsContact O-CB 3.24Å; A208-R212 WeakPolarHBondContact O-CB 3.31Å; A208-R212 PolarHBondContact O-N 3.48Å; K209-R212 PolarHBondContact O-N 3.06Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.75Å; R212-L215 PolarHBondContact O-N 3.44Å; R212-Q216 WeakPolarHBondContact O-CB 3.24Å; R212-Q216 VanDerWaalsContact O-CG 3.25Å; R212-Q216 WeakPolarHBondContact O-CG 3.38Å; R212-Q216 PolarHBondContact O-N 3.44Å
213A84.2Confident80.2Confident36 Ų36105.8 Ų105.830%0.29852%0.519SS..Hα-helixtrans-65.6-40.1176.700000111.8K209 I210 Q216 K217K209-A213 WeakPolarHBondContact O-CB 3.34Å; K209-A213 PolarHBondContact O-N 2.8Å; I210-A213 CarbonylContact O-C 3.59Å; I210-A213 WeakPolarHBondContact O-CB 3.36Å; I210-A213 PolarHBondContact O-N 2.69Å; A213-Q216 PolarHBondContact O-N 2.9Å; A213-K217 WeakPolarHBondContact O-CB 3.27Å; A213-K217 VanDerWaalsContact O-CG 3.26Å; A213-K217 WeakPolarHBondContact O-CG 3.34Å; A213-K217 PolarHBondContact O-N 3.39Å
214E85.3Confident82Confident103 Ų103106.8 Ų106.848%0.48152%0.516SS..Hα-helixtrans-63.1-46.6174-72.9172.217500111.6I210 R211 Q216 K217 A218I210-E214 HydrophobicContact CG2-CG 4.31Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.46Å; I210-E214 WeakPolarHBondContact O-CB 3.25Å; I210-E214 VanDerWaalsContact O-CG 3.32Å; I210-E214 WeakPolarHBondContact O-CG 3.3Å; I210-E214 PolarHBondContact O-N 3.09Å; R211-E214 PolarHBondContact O-N 3.02Å; E214-Q216 VanDerWaalsContact C-N 3.33Å; E214-Q216 PolarHBondContact O-N 2.82Å; E214-K217 PolarHBondContact O-N 2.9Å; E214-A218 WeakPolarHBondContact O-CB 3.47Å; E214-A218 PolarHBondContact O-N 2.89Å
215L84.7Confident83.5Confident99 Ų99112.8 Ų112.852%0.51853%0.534SS..Hα-helixtrans-62.9-38.8175.6-76.8171.7000112.1R211 R212 A218 R219R211-L215 WeakPolarHBondContact O-CB 2.85Å; R211-L215 VanDerWaalsContact O-CG 3.27Å; R211-L215 WeakPolarHBondContact O-CG 3.46Å; R211-L215 PolarHBondContact O-N 2.88Å; R212-L215 PolarHBondContact O-N 3.44Å; L215-A218 PolarHBondContact O-N 2.93Å; L215-R219 WeakPolarHBondContact O-CB 3.43Å; L215-R219 VanDerWaalsContact O-CG 3.3Å; L215-R219 WeakPolarHBondContact O-CG 3.26Å; L215-R219 PolarHBondContact O-N 3.46Å
216Q79.7Confident84.7Confident111 Ų111110.2 Ų110.252%0.51952%0.518SS..Hα-helixtrans-64.1-45.1174.3-77.6176.4-18.400111.5R212 A213 E214 R219 A220R212-Q216 WeakPolarHBondContact O-CB 3.24Å; R212-Q216 VanDerWaalsContact O-CG 3.25Å; R212-Q216 WeakPolarHBondContact O-CG 3.38Å; R212-Q216 PolarHBondContact O-N 3.44Å; A213-Q216 PolarHBondContact O-N 2.9Å; E214-Q216 VanDerWaalsContact C-N 3.33Å; E214-Q216 PolarHBondContact O-N 2.82Å; Q216-R219 PolarHBondContact O-N 3.29Å; Q216-A220 WeakPolarHBondContact O-CB 3.4Å; Q216-A220 PolarHBondContact O-N 3.26Å
217K89Confident85.5Confident143 Ų143105.8 Ų105.862%0.62251%0.505SS*.Hα-helixtrans-60.5-45.4174.6-73.7172.1-178178.50111.4A213 E214 A220 L221A213-K217 WeakPolarHBondContact O-CB 3.27Å; A213-K217 VanDerWaalsContact O-CG 3.26Å; A213-K217 WeakPolarHBondContact O-CG 3.34Å; A213-K217 PolarHBondContact O-N 3.39Å; E214-K217 PolarHBondContact O-N 2.9Å; K217-A220 PolarHBondContact O-N 2.95Å; K217-L221 WeakPolarHBondContact O-CB 3.42Å; K217-L221 VanDerWaalsContact O-CG 3.31Å; K217-L221 WeakPolarHBondContact O-CG 3.31Å; K217-L221 PolarHBondContact O-N 3.2Å
218A85.5Confident86.2Confident41 Ų41107.8 Ų107.834%0.33951%0.513SS..Hα-helixtrans-62.3-44.7178.600000112E214 L215 A220 L221 Q222E214-A218 WeakPolarHBondContact O-CB 3.47Å; E214-A218 PolarHBondContact O-N 2.89Å; L215-A218 PolarHBondContact O-N 2.93Å; A218-A220 PolarHBondContact O-N 3.48Å; A218-L221 PolarHBondContact O-N 3.14Å; A218-Q222 WeakPolarHBondContact O-CB 3.24Å; A218-Q222 WeakPolarHBondContact O-CG 3.15Å; A218-Q222 PolarHBondContact O-N 3.36Å
219R85.5Confident87.1Confident178 Ų178107.7 Ų107.767%0.67251%0.512SS*.Hα-helixtrans-61.8-42.3174.9-75.2177.8-174.9-179.32.6112.1L215 Q216 Q222 S223L215-R219 WeakPolarHBondContact O-CB 3.43Å; L215-R219 VanDerWaalsContact O-CG 3.3Å; L215-R219 WeakPolarHBondContact O-CG 3.26Å; L215-R219 PolarHBondContact O-N 3.46Å; Q216-R219 PolarHBondContact O-N 3.29Å; R219-Q222 PolarHBondContact O-N 3.27Å; R219-S223 WeakPolarHBondContact O-CB 3.36Å; R219-S223 PolarHBondContact O-N 3.49Å
220A89.3Confident87.6Confident39 Ų39107.2 Ų107.232%0.32251%0.506SS..Hα-helixtrans-64.1-44.6176.900000111.7Q216 K217 A218 Q222 S223 Y224Q216-A220 WeakPolarHBondContact O-CB 3.4Å; Q216-A220 PolarHBondContact O-N 3.26Å; K217-A220 PolarHBondContact O-N 2.95Å; A218-A220 PolarHBondContact O-N 3.48Å; A220-Q222 PolarHBondContact O-N 3.34Å; A220-S223 WeakPolarHBondContact O-CB 3.37Å; A220-S223 PolarHBondContact O-N 3.48Å; A220-Y224 HydrophobicContact CB-CE2 4.38Å; A220-Y224 VanDerWaalsContact O-CD2 3.24Å; A220-Y224 WeakPolarHBondContact O-CD2 3.33Å; A220-Y224 PolarHBondContact O-N 3.39Å
221L92.4Very high87.6Confident119 Ų119111.5 Ų111.562%0.62352%0.516SS*.Hα-helixtrans-61.9-43.8176.6-73.2174.1000112.4K217 A218 S223 Y224 Y225K217-L221 WeakPolarHBondContact O-CB 3.42Å; K217-L221 VanDerWaalsContact O-CG 3.31Å; K217-L221 WeakPolarHBondContact O-CG 3.31Å; K217-L221 PolarHBondContact O-N 3.2Å; A218-L221 PolarHBondContact O-N 3.14Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-Y224 PolarHBondContact O-N 3.41Å; L221-Y225 WeakPolarHBondContact O-CB 3.32Å; L221-Y225 PolarHBondContact O-N 3.47Å
222Q88.9Confident87.8Confident123 Ų123108 Ų10858%0.57551%0.507SS*.Hα-helixtrans-60.2-46174.1-74.6174.8-12.900111A218 R219 A220 Y224 Y225 E226A218-Q222 WeakPolarHBondContact O-CB 3.24Å; A218-Q222 WeakPolarHBondContact O-CG 3.15Å; A218-Q222 PolarHBondContact O-N 3.36Å; R219-Q222 PolarHBondContact O-N 3.27Å; A220-Q222 PolarHBondContact O-N 3.34Å; Q222-Y224 PolarHBondContact O-N 3.41Å; Q222-Y225 PolarHBondContact O-N 2.93Å; Q222-E226 WeakPolarHBondContact O-CG 3.47Å; Q222-E226 PolarHBondContact O-N 3.24Å
223S88.6Confident88.4Confident65 Ų65108.3 Ų108.346%0.45551%0.508SS..Hα-helixtrans-59.6-44.3176.9-1760000112.5R219 A220 L221 Y225 E226 A227R219-S223 WeakPolarHBondContact O-CB 3.36Å; R219-S223 PolarHBondContact O-N 3.49Å; A220-S223 WeakPolarHBondContact O-CB 3.37Å; A220-S223 PolarHBondContact O-N 3.48Å; L221-S223 VanDerWaalsContact C-N 3.35Å; S223-Y225 PolarHBondContact O-N 3.44Å; S223-E226 PolarHBondContact O-N 3.37Å; S223-A227 WeakPolarHBondContact O-CB 3.45Å; S223-A227 PolarHBondContact O-N 2.93Å
224Y92.2Very high88.5Confident165 Ų165111.8 Ų111.865%0.64752%0.516SS*.Hα-helixtrans-63.8-41.3175.7-67.2-39.9000112.5A220 L221 Q222 A227 K228A220-Y224 HydrophobicContact CB-CE2 4.38Å; A220-Y224 VanDerWaalsContact O-CD2 3.24Å; A220-Y224 WeakPolarHBondContact O-CD2 3.33Å; A220-Y224 PolarHBondContact O-N 3.39Å; L221-Y224 PolarHBondContact O-N 3.41Å; Q222-Y224 PolarHBondContact O-N 3.41Å; Y224-A227 PolarHBondContact O-N 2.85Å; Y224-K228 WeakPolarHBondContact O-CB 3.45Å; Y224-K228 PolarHBondContact O-N 3.21Å
225Y94.6Very high88.3Confident170 Ų170111.2 Ų111.267%0.66752%0.516SS*.Hα-helixtrans-63.4-45176.4-174.6-98.8000111.3L221 Q222 S223 A227 K228 A229L221-Y225 WeakPolarHBondContact O-CB 3.32Å; L221-Y225 PolarHBondContact O-N 3.47Å; Q222-Y225 PolarHBondContact O-N 2.93Å; S223-Y225 PolarHBondContact O-N 3.44Å; Y225-A227 PolarHBondContact O-N 3.5Å; Y225-K228 PolarHBondContact O-N 2.94Å; Y225-A229 WeakPolarHBondContact O-CB 3.35Å; Y225-A229 PolarHBondContact O-N 3.5Å
226E92.1Very high88.1Confident89 Ų89113.5 Ų113.542%0.41652%0.521SS..Hα-helixtrans-61.6-44.2174.9-72.8-177.6-162.400112.2Q222 S223 K228 A229 R230Q222-E226 WeakPolarHBondContact O-CG 3.47Å; Q222-E226 PolarHBondContact O-N 3.24Å; S223-E226 PolarHBondContact O-N 3.37Å; E226-K228 VanDerWaalsContact C-N 3.35Å; E226-K228 PolarHBondContact O-N 2.89Å; E226-A229 PolarHBondContact O-N 3.33Å; E226-R230 WeakPolarHBondContact O-CB 3.33Å; E226-R230 VanDerWaalsContact O-CG 3.31Å; E226-R230 WeakPolarHBondContact O-CG 3.47Å; E226-R230 PolarHBondContact O-N 3.35Å; E226-R230 IonicContact OE2-CZ 3.8Å; E226-R230 IonicContact OE2-NH1 2.69Å; E226-R230 PolarHBondContact OE2-NH1 3.19Å; E226-R230 IonicContact OE2-NH2 3.69Å; E226-R230 PolarHBondContact OE2-NH2 3.49Å
227A92.3Very high88.1Confident51 Ų51110.6 Ų110.642%0.42151%0.513SS..Hα-helixtrans-62-43.2177.100000111.4S223 Y224 Y225 R230 R231S223-A227 WeakPolarHBondContact O-CB 3.45Å; S223-A227 PolarHBondContact O-N 2.93Å; Y224-A227 PolarHBondContact O-N 2.85Å; Y225-A227 PolarHBondContact O-N 3.5Å; A227-R230 PolarHBondContact O-N 3.38Å; A227-R231 WeakPolarHBondContact O-CB 3.48Å; A227-R231 PolarHBondContact O-N 2.87Å
228K93.4Very high87.8Confident129 Ų129110.1 Ų110.156%0.56151%0.511SS*.Hα-helixtrans-61.8-46.5174.1-171.9-177.5-178.3-173.20111.1Y224 Y225 E226 R230 R231 E232Y224-K228 WeakPolarHBondContact O-CB 3.45Å; Y224-K228 PolarHBondContact O-N 3.21Å; Y225-K228 PolarHBondContact O-N 2.94Å; E226-K228 VanDerWaalsContact C-N 3.35Å; E226-K228 PolarHBondContact O-N 2.89Å; K228-R230 PolarHBondContact O-N 2.85Å; K228-R231 WeakPolarHBondContact O-CB 3.38Å; K228-R231 PolarHBondContact O-N 2.83Å; K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 WeakPolarHBondContact O-CB 3.31Å; K228-E232 WeakPolarHBondContact O-CG 3.41Å; K228-E232 PolarHBondContact O-N 3.31Å
229A92.3Very high87.8Confident32 Ų32115.4 Ų115.426%0.26453%0.527SS..Hα-helixtrans-63.8-41.4178.100000112.2Y225 E226 E232 R233Y225-A229 WeakPolarHBondContact O-CB 3.35Å; Y225-A229 PolarHBondContact O-N 3.5Å; E226-A229 PolarHBondContact O-N 3.33Å; A229-E232 PolarHBondContact O-N 3.12Å; A229-R233 VanDerWaalsContact O-CB 3.31Å; A229-R233 WeakPolarHBondContact O-CB 3.38Å; A229-R233 PolarHBondContact O-N 2.72Å
230R90.1Very high87.8Confident135 Ų135113.6 Ų113.651%0.50952%0.521SS..Hα-helixtrans-60.6-44.8172.6-74-176.5-170.4101.68.5110.5E226 A227 K228 R233 K234E226-R230 WeakPolarHBondContact O-CB 3.33Å; E226-R230 VanDerWaalsContact O-CG 3.31Å; E226-R230 WeakPolarHBondContact O-CG 3.47Å; E226-R230 PolarHBondContact O-N 3.35Å; E226-R230 IonicContact OE2-CZ 3.8Å; E226-R230 IonicContact OE2-NH1 2.69Å; E226-R230 PolarHBondContact OE2-NH1 3.19Å; E226-R230 IonicContact OE2-NH2 3.69Å; E226-R230 PolarHBondContact OE2-NH2 3.49Å; A227-R230 PolarHBondContact O-N 3.38Å; K228-R230 PolarHBondContact O-N 2.85Å; R230-R233 PolarHBondContact O-N 2.8Å; R230-K234 WeakPolarHBondContact O-CB 3.49Å; R230-K234 WeakPolarHBondContact O-CG 3.31Å; R230-K234 PolarHBondContact O-N 3.17Å
231R85.2Confident87.4Confident183 Ų183116.1 Ų116.169%0.69153%0.526SS*.Hα-helixtrans-62.9-47.6176.8-174.2179.1-175.1160.81.9111.8A227 K228 R233 K234 I235A227-R231 WeakPolarHBondContact O-CB 3.48Å; A227-R231 PolarHBondContact O-N 2.87Å; K228-R231 WeakPolarHBondContact O-CB 3.38Å; K228-R231 PolarHBondContact O-N 2.83Å; R231-R233 VanDerWaalsContact C-N 3.35Å; R231-R233 PolarHBondContact O-N 3.37Å; R231-K234 CarbonylContact O-C 3.58Å; R231-K234 PolarHBondContact O-N 3.23Å; R231-I235 HydrophobicContact CG-CD1 3.9Å; R231-I235 HydrophobicContact CG-CG1 4.44Å; R231-I235 VanDerWaalsContact O-CG1 3.28Å; R231-I235 WeakPolarHBondContact O-CG1 3.34Å; R231-I235 PolarHBondContact O-N 3.49Å
232E82.6Confident87.1Confident82 Ų82117.1 Ų117.138%0.38353%0.525SS..Hα-helixtrans-62.3-40.7177.6-74.4178.6-168.300112K228 A229 I235 K236K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 WeakPolarHBondContact O-CB 3.31Å; K228-E232 WeakPolarHBondContact O-CG 3.41Å; K228-E232 PolarHBondContact O-N 3.31Å; A229-E232 PolarHBondContact O-N 3.12Å; E232-I235 PolarHBondContact O-N 3.5Å; E232-K236 WeakPolarHBondContact O-CB 3.45Å; E232-K236 WeakPolarHBondContact O-CG 3.37Å; E232-K236 PolarHBondContact O-N 3.48Å
233R89.1Confident86.9Confident181 Ų181115.6 Ų115.668%0.68352%0.524SS*.Hα-helixtrans-61.3-45.3173.4-169.1-175-62.3157.60.4111.1A229 R230 R231 K236 S237A229-R233 VanDerWaalsContact O-CB 3.31Å; A229-R233 WeakPolarHBondContact O-CB 3.38Å; A229-R233 PolarHBondContact O-N 2.72Å; R230-R233 PolarHBondContact O-N 2.8Å; R231-R233 VanDerWaalsContact C-N 3.35Å; R231-R233 PolarHBondContact O-N 3.37Å; R233-K236 PolarHBondContact O-N 3.4Å; R233-S237 WeakPolarHBondContact O-CB 3.28Å; R233-S237 PolarHBondContact O-N 3.13Å; R233-S237 PolarHBondContact O-OG 2.74Å
234K86.9Confident86.8Confident109 Ų109115.1 Ų115.147%0.47452%0.515SS..Hα-helixtrans-62.3-40.1174.2-74.4-178.4179.7-1740112R230 R231 S237 K238R230-K234 WeakPolarHBondContact O-CB 3.49Å; R230-K234 WeakPolarHBondContact O-CG 3.31Å; R230-K234 PolarHBondContact O-N 3.17Å; R231-K234 CarbonylContact O-C 3.58Å; R231-K234 PolarHBondContact O-N 3.23Å; K234-S237 WeakPolarHBondContact CA-OG 3.25Å; K234-S237 PolarHBondContact O-OG 2.94Å; K234-K238 VanDerWaalsContact O-CB 3.3Å; K234-K238 WeakPolarHBondContact O-CB 3.35Å; K234-K238 VanDerWaalsContact O-CG 3.23Å; K234-K238 WeakPolarHBondContact O-CG 3.44Å; K234-K238 PolarHBondContact O-N 3.22Å
235I81.1Confident86.5Confident91 Ų91110.8 Ų110.847%0.46750%0.502SS..Hα-helixtrans-64.7-46.2177.2-71.9166.1000110.3R231 E232 K238 K239R231-I235 HydrophobicContact CG-CD1 3.9Å; R231-I235 HydrophobicContact CG-CG1 4.44Å; R231-I235 VanDerWaalsContact O-CG1 3.28Å; R231-I235 WeakPolarHBondContact O-CG1 3.34Å; R231-I235 PolarHBondContact O-N 3.49Å; E232-I235 PolarHBondContact O-N 3.5Å; I235-K238 PolarHBondContact O-N 2.9Å; I235-K239 VanDerWaalsContact O-CB 3.25Å; I235-K239 WeakPolarHBondContact O-CB 3.47Å; I235-K239 PolarHBondContact O-N 3.5Å
236K79.6Confident86.2Confident147 Ų147110.1 Ų110.164%0.63950%0.503SS*.Hα-helixtrans-66.8-38.7179.3-70.4174.5-177.3175.50111.6E232 R233 Y240E232-K236 WeakPolarHBondContact O-CB 3.45Å; E232-K236 WeakPolarHBondContact O-CG 3.37Å; E232-K236 PolarHBondContact O-N 3.48Å; R233-K236 PolarHBondContact O-N 3.4Å; K236-Y240 WeakPolarHBondContact O-CB 3.23Å; K236-Y240 PolarHBondContact O-N 3.44Å
237S79.4Confident85.9Confident50 Ų50107.8 Ų107.835%0.3550%0.499SS..Hα-helixtrans-68.5-44174.967.50000112.4R233 K234 Y240 H241R233-S237 WeakPolarHBondContact O-CB 3.28Å; R233-S237 PolarHBondContact O-N 3.13Å; R233-S237 PolarHBondContact O-OG 2.74Å; K234-S237 WeakPolarHBondContact CA-OG 3.25Å; K234-S237 PolarHBondContact O-OG 2.94Å; S237-Y240 PolarHBondContact O-N 2.81Å; S237-H241 PolarHBondContact O-CD2 3.43Å; S237-H241 PolarHBondContact O-N 2.89Å
238K82.2Confident85.7Confident134 Ų134110.9 Ų110.958%0.58350%0.503SS*.Hα-helixtrans-62.3-46.7175.4-74.6-177.7179-165.70112K234 I235 H241 K242K234-K238 VanDerWaalsContact O-CB 3.3Å; K234-K238 WeakPolarHBondContact O-CB 3.35Å; K234-K238 VanDerWaalsContact O-CG 3.23Å; K234-K238 WeakPolarHBondContact O-CG 3.44Å; K234-K238 PolarHBondContact O-N 3.22Å; I235-K238 PolarHBondContact O-N 2.9Å; K238-H241 PolarHBondContact O-N 2.88Å; K238-K242 WeakPolarHBondContact O-CB 3.48Å; K238-K242 PolarHBondContact O-N 3.28Å
239K86.4Confident85.2Confident151 Ų151112.1 Ų112.166%0.65750%0.504SS*.Hα-helixtrans-64.1-42.1177.3-173.9171.3-179.2175.60111.1I235 K242 V243I235-K239 VanDerWaalsContact O-CB 3.25Å; I235-K239 WeakPolarHBondContact O-CB 3.47Å; I235-K239 PolarHBondContact O-N 3.5Å; K239-K242 PolarHBondContact O-N 3.4Å; K239-V243 VanDerWaalsContact O-CG2 3.31Å; K239-V243 WeakPolarHBondContact O-CG2 3.46Å; K239-V243 PolarHBondContact O-N 3.42Å
240Y85Confident85Confident140 Ų140117 Ų11755%0.54952%0.52SS..Hα-helixtrans-58.4-51.9174.5174.3-98.5000111.2K236 S237 K242 V243 Q244K236-Y240 WeakPolarHBondContact O-CB 3.23Å; K236-Y240 PolarHBondContact O-N 3.44Å; S237-Y240 PolarHBondContact O-N 2.81Å; Y240-K242 PolarHBondContact O-N 3.49Å; Y240-V243 PolarHBondContact O-N 3.34Å; Y240-Q244 HydrophobicContact CE1-CB 4.46Å; Y240-Q244 VanDerWaalsContact O-CB 3.25Å; Y240-Q244 WeakPolarHBondContact O-CB 3.3Å; Y240-Q244 PolarHBondContact O-N 3.44Å
241H81Confident85Confident93 Ų93116.3 Ų116.343%0.43152%0.522SS..Hα-helixtrans-66.6-34.3178.9-68.2-56.6000112.9S237 K238 Q244 N245S237-H241 PolarHBondContact O-CD2 3.43Å; S237-H241 PolarHBondContact O-N 2.89Å; K238-H241 PolarHBondContact O-N 2.88Å; H241-Q244 PolarHBondContact ND1-OE1 2.87Å; H241-Q244 VanDerWaalsContact ND1-OE1 3.14Å; H241-Q244 PolarHBondContact O-N 2.92Å; H241-N245 WeakPolarHBondContact O-CB 3.11Å; H241-N245 PolarHBondContact O-N 3.47Å; H241-N245 PolarHBondContact O-ND2 2.88Å
242K85.6Confident85Confident140 Ų140111.8 Ų111.861%0.60951%0.508SS*.Hα-helixtrans-60.8-45.9172.7-169.7170.6-174.4167.20110.6K238 K239 Y240 K246 E336K238-K242 WeakPolarHBondContact O-CB 3.48Å; K238-K242 PolarHBondContact O-N 3.28Å; K239-K242 PolarHBondContact O-N 3.4Å; Y240-K242 PolarHBondContact O-N 3.49Å; K242-K246 VanDerWaalsContact O-CB 3.3Å; K242-K246 WeakPolarHBondContact O-CB 3.25Å; K242-K246 PolarHBondContact O-N 3.48Å; K242-E336 IonicContact NZ-OE1 3.23Å; K242-E336 PolarHBondContact NZ-OE1 3.2Å
243V85.7Confident85.2Confident91 Ų91111.2 Ų111.255%0.55251%0.507SS*.Hα-helixtrans-68.5-44.2177.5173.60000111.5K239 Y240 K246 A247K239-V243 VanDerWaalsContact O-CG2 3.31Å; K239-V243 WeakPolarHBondContact O-CG2 3.46Å; K239-V243 PolarHBondContact O-N 3.42Å; Y240-V243 PolarHBondContact O-N 3.34Å; V243-K246 PolarHBondContact O-N 3.26Å; V243-A247 WeakPolarHBondContact O-CB 3.31Å; V243-A247 PolarHBondContact O-N 3.15Å
244Q87.2Confident85.3Confident55 Ų55107.9 Ų107.926%0.25750%0.497SS..Hα-helixtrans-62.4-45.7178.9-171.3-171.319.900111.3Y240 H241 K246 A247 K248Y240-Q244 HydrophobicContact CE1-CB 4.46Å; Y240-Q244 VanDerWaalsContact O-CB 3.25Å; Y240-Q244 WeakPolarHBondContact O-CB 3.3Å; Y240-Q244 PolarHBondContact O-N 3.44Å; H241-Q244 PolarHBondContact ND1-OE1 2.87Å; H241-Q244 VanDerWaalsContact ND1-OE1 3.14Å; H241-Q244 PolarHBondContact O-N 2.92Å; Q244-K246 VanDerWaalsContact C-N 3.33Å; Q244-K246 PolarHBondContact O-N 3.04Å; Q244-A247 PolarHBondContact O-N 2.8Å; Q244-K248 WeakPolarHBondContact O-CG 3.41Å; Q244-K248 PolarHBondContact O-N 3.48Å
245N84.8Confident85.3Confident73 Ų73108.6 Ų108.639%0.3950%0.502SS..Hα-helixtrans-67.9-34177.6-68.6-11000111.5H241 R249H241-N245 WeakPolarHBondContact O-CB 3.11Å; H241-N245 PolarHBondContact O-N 3.47Å; H241-N245 PolarHBondContact O-ND2 2.88Å; N245-R249 WeakPolarHBondContact O-CB 3.44Å; N245-R249 WeakPolarHBondContact O-CG 3.13Å; N245-R249 PolarHBondContact O-N 3.28Å
246K87.5Confident85.6Confident156 Ų156105.5 Ų105.568%0.67849%0.485SS*.Hα-helixtrans-66.3-39.9171.6-172.1172.4-175170.20111.6K242 V243 Q244 K250K242-K246 VanDerWaalsContact O-CB 3.3Å; K242-K246 WeakPolarHBondContact O-CB 3.25Å; K242-K246 PolarHBondContact O-N 3.48Å; V243-K246 PolarHBondContact O-N 3.26Å; Q244-K246 VanDerWaalsContact C-N 3.33Å; Q244-K246 PolarHBondContact O-N 3.04Å; K246-K250 WeakPolarHBondContact O-CB 3.3Å; K246-K250 PolarHBondContact O-N 3.48Å
247A87.4Confident85.9Confident41 Ų41102.4 Ų102.434%0.33948%0.476SS..Hα-helixtrans-65.2-49.9175.900000111.5V243 Q244 R249 K250 E251V243-A247 WeakPolarHBondContact O-CB 3.31Å; V243-A247 PolarHBondContact O-N 3.15Å; Q244-A247 PolarHBondContact O-N 2.8Å; A247-R249 VanDerWaalsContact C-N 3.34Å; A247-R249 PolarHBondContact O-N 2.9Å; A247-K250 CarbonylContact O-C 3.58Å; A247-K250 WeakPolarHBondContact O-CA 3.19Å; A247-K250 WeakPolarHBondContact O-CB 3.39Å; A247-K250 PolarHBondContact O-N 3.5Å; A247-E251 WeakPolarHBondContact O-CG 3.39Å; A247-E251 PolarHBondContact O-N 3.01Å
248K87Confident86.5Confident115 Ų115104.5 Ų104.550%0.548%0.48SS..Hα-helixtrans-56.4-44.5175.3-73179.7175.9-174.70112.4Q244 K250 E251 F252Q244-K248 WeakPolarHBondContact O-CG 3.41Å; Q244-K248 PolarHBondContact O-N 3.48Å; K248-K250 VanDerWaalsContact C-N 3.34Å; K248-K250 PolarHBondContact O-N 3.35Å; K248-E251 PolarHBondContact O-N 3.03Å; K248-F252 WeakPolarHBondContact O-CB 3.41Å; K248-F252 PolarHBondContact O-N 3.23Å
249R83.1Confident86.6Confident155 Ų155101.2 Ų101.259%0.58547%0.467SS*.Hα-helixtrans-60.3-43174.1-82.3-173.5-98.4168.7-15.3112.1N245 A247 F252 L253N245-R249 WeakPolarHBondContact O-CB 3.44Å; N245-R249 WeakPolarHBondContact O-CG 3.13Å; N245-R249 PolarHBondContact O-N 3.28Å; A247-R249 VanDerWaalsContact C-N 3.34Å; A247-R249 PolarHBondContact O-N 2.9Å; R249-F252 PolarHBondContact O-N 3.39Å; R249-L253 WeakPolarHBondContact O-CG 3.4Å; R249-L253 PolarHBondContact O-N 2.88Å
250K88.3Confident86.7Confident135 Ų13597 Ų9759%0.58746%0.455SS*.Hα-helixtrans-65.9-38.3177.3-170.6176.7-175.9176.30112.3K246 A247 K248 K254K246-K250 WeakPolarHBondContact O-CB 3.3Å; K246-K250 PolarHBondContact O-N 3.48Å; A247-K250 CarbonylContact O-C 3.58Å; A247-K250 WeakPolarHBondContact O-CA 3.19Å; A247-K250 WeakPolarHBondContact O-CB 3.39Å; A247-K250 PolarHBondContact O-N 3.5Å; K248-K250 VanDerWaalsContact C-N 3.34Å; K248-K250 PolarHBondContact O-N 3.35Å; K250-K254 VanDerWaalsContact O-CG 3.27Å; K250-K254 WeakPolarHBondContact O-CG 3.42Å; K250-K254 PolarHBondContact O-N 2.91Å
251E89.5Confident86.9Confident121 Ų12198.2 Ų98.257%0.56546%0.463SS*.Hα-helixtrans-65-44.9174.1-72.8165-172.100111.2A247 K248 L253 K254 H255A247-E251 WeakPolarHBondContact O-CG 3.39Å; A247-E251 PolarHBondContact O-N 3.01Å; K248-E251 PolarHBondContact O-N 3.03Å; E251-L253 PolarHBondContact O-N 3.11Å; E251-K254 PolarHBondContact O-N 2.88Å; E251-H255 PolarHBondContact O-N 3.37Å
252F86.1Confident87.3Confident87 Ų87100.4 Ų100.438%0.38248%0.477SS..Hα-helixtrans-58.5-47.1175.3-174.5-83.7000111.8K248 R249 K254 H255 F256 M274 L325K248-F252 WeakPolarHBondContact O-CB 3.41Å; K248-F252 PolarHBondContact O-N 3.23Å; R249-F252 PolarHBondContact O-N 3.39Å; F252-K254 VanDerWaalsContact C-N 3.34Å; F252-K254 PolarHBondContact O-N 2.87Å; F252-H255 PolarHBondContact O-N 3.48Å; F252-F256 HydrophobicContact CE1-CB 4.49Å; F252-F256 WeakPolarHBondContact O-CB 3.43Å; F252-F256 PolarHBondContact O-N 3.27Å; F252-M274 HydrophobicContact CZ-CE 4.08Å; F252-M274 HydrophobicContact CZ-SD 3.84Å; F252-L325 HydrophobicContact CD1-CD2 3.72Å; F252-L325 HydrophobicContact CE1-CD1 3.52Å; F252-L325 HydrophobicContact CE1-CD2 3.3Å; F252-L325 HydrophobicContact CE1-CG 3.92Å; F252-L325 HydrophobicContact CZ-CD1 3.73Å; F252-L325 HydrophobicContact CZ-CD2 4.27Å; F252-L325 HydrophobicContact CZ-CG 4.46Å
253L86.6Confident87.6Confident70 Ų7098.4 Ų98.437%0.36647%0.472SS..Hα-helixtrans-61.4-40.9176.8-72.8170.3000112.2R249 E251 F256 D257R249-L253 WeakPolarHBondContact O-CG 3.4Å; R249-L253 PolarHBondContact O-N 2.88Å; E251-L253 PolarHBondContact O-N 3.11Å; L253-F256 PolarHBondContact O-N 3.38Å; L253-D257 WeakPolarHBondContact O-CB 3.45Å; L253-D257 VanDerWaalsContact O-CG 3.26Å; L253-D257 PolarHBondContact O-N 3.41Å
254K90.3Very high87.7Confident112 Ų11298 Ų9849%0.48747%0.472SS..Hα-helixtrans-63.5-46176.1-74.9172.8174.5-168.90112.4K250 E251 F252 F256 D257 E258K250-K254 VanDerWaalsContact O-CG 3.27Å; K250-K254 WeakPolarHBondContact O-CG 3.42Å; K250-K254 PolarHBondContact O-N 2.91Å; E251-K254 PolarHBondContact O-N 2.88Å; F252-K254 VanDerWaalsContact C-N 3.34Å; F252-K254 PolarHBondContact O-N 2.87Å; K254-F256 VanDerWaalsContact C-N 3.28Å; K254-F256 PolarHBondContact O-N 2.86Å; K254-D257 PolarHBondContact O-N 2.74Å; K254-E258 WeakPolarHBondContact O-CB 3.48Å; K254-E258 VanDerWaalsContact O-CG 3.27Å; K254-E258 WeakPolarHBondContact O-CG 3.27Å; K254-E258 PolarHBondContact O-N 3.18Å
255H87.9Confident87.8Confident123 Ų12398.4 Ų98.457%0.56949%0.485SS*.Hα-helixtrans-62.7-38.5175.6-98.4-6.9000111.7E251 F252 E258 M259E251-H255 PolarHBondContact O-N 3.37Å; F252-H255 PolarHBondContact O-N 3.48Å; H255-E258 IonicContact CE1-OE2 3.51Å; H255-E258 IonicContact ND1-OE2 2.9Å; H255-E258 PolarHBondContact ND1-OE2 3.44Å; H255-E258 PolarHBondContact O-N 3.23Å; H255-M259 WeakPolarHBondContact O-CG 3.37Å; H255-M259 PolarHBondContact O-N 2.98Å
256F86.4Confident88Confident26 Ų2698.1 Ų98.111%0.11449%0.485CS..Hα-helixtrans-63.2-45.6173.8-168.8-96.1000111.6F252 L253 K254 E258 M259 V260 A267 L271F252-F256 HydrophobicContact CE1-CB 4.49Å; F252-F256 WeakPolarHBondContact O-CB 3.43Å; F252-F256 PolarHBondContact O-N 3.27Å; L253-F256 PolarHBondContact O-N 3.38Å; K254-F256 VanDerWaalsContact C-N 3.28Å; K254-F256 PolarHBondContact O-N 2.86Å; F256-E258 VanDerWaalsContact C-N 3.31Å; F256-E258 PolarHBondContact O-N 3.44Å; F256-M259 HydrophobicContact CD2-CE 4.18Å; F256-M259 PolarHBondContact O-N 2.83Å; F256-V260 HydrophobicContact CD1-CG2 4.01Å; F256-V260 HydrophobicContact CE1-CG2 3.72Å; F256-V260 HydrophobicContact CZ-CG2 4.22Å; F256-V260 VanDerWaalsContact O-CG2 3.29Å; F256-V260 WeakPolarHBondContact O-CG2 3.38Å; F256-V260 PolarHBondContact O-N 3.04Å; F256-A267 HydrophobicContact CE2-CB 4.41Å; F256-A267 HydrophobicContact CZ-CB 4.42Å; F256-L271 HydrophobicContact CZ-CD1 4.42Å
257D87.4Confident88Confident83 Ų8390.8 Ų90.844%0.44445%0.454SS..Hα-helixtrans-62-36.8175.4-72.3-15.9000112.4L253 K254 K261L253-D257 WeakPolarHBondContact O-CB 3.45Å; L253-D257 VanDerWaalsContact O-CG 3.26Å; L253-D257 PolarHBondContact O-N 3.41Å; K254-D257 PolarHBondContact O-N 2.74Å; D257-K261 WeakPolarHBondContact O-CB 3.05Å; D257-K261 WeakPolarHBondContact O-CD 3.39Å; D257-K261 WeakPolarHBondContact O-CG 3.27Å; D257-K261 PolarHBondContact O-N 2.76Å
258E90.1Very high88Confident94 Ų9493.9 Ų93.944%0.43946%0.464SS..Hα-helixtrans-65.7-45.6173.9-73.9163.3-175.200111.2K254 H255 F256 V260 K261 L262K254-E258 WeakPolarHBondContact O-CB 3.48Å; K254-E258 VanDerWaalsContact O-CG 3.27Å; K254-E258 WeakPolarHBondContact O-CG 3.27Å; K254-E258 PolarHBondContact O-N 3.18Å; H255-E258 IonicContact CE1-OE2 3.51Å; H255-E258 IonicContact ND1-OE2 2.9Å; H255-E258 PolarHBondContact ND1-OE2 3.44Å; H255-E258 PolarHBondContact O-N 3.23Å; F256-E258 VanDerWaalsContact C-N 3.31Å; F256-E258 PolarHBondContact O-N 3.44Å; E258-V260 VanDerWaalsContact C-N 3.34Å; E258-V260 PolarHBondContact O-N 2.81Å; E258-K261 PolarHBondContact O-N 3.05Å; E258-L262 WeakPolarHBondContact O-CG 3.47Å; E258-L262 PolarHBondContact O-N 3.14Å
259M85.3Confident88.2Confident64 Ų6493.7 Ų93.732%0.31547%0.465SS..Hα-helixtrans-61.1-41.4174.8-73.4-172.8-68.500111.9H255 F256 K261 L262 D263 A267H255-M259 WeakPolarHBondContact O-CG 3.37Å; H255-M259 PolarHBondContact O-N 2.98Å; F256-M259 HydrophobicContact CD2-CE 4.18Å; F256-M259 PolarHBondContact O-N 2.83Å; M259-K261 VanDerWaalsContact C-N 3.32Å; M259-K261 PolarHBondContact O-N 3.48Å; M259-L262 PolarHBondContact O-N 3.41Å; M259-D263 CarbonylContact O-C 3.28Å; M259-D263 VanDerWaalsContact O-C 3.28Å; M259-D263 PolarHBondContact O-N 3.27Å; M259-D263 VanDerWaalsContact O-O 3.05Å; M259-A267 HydrophobicContact CB-CB 4.29Å
260V87.4Confident88.4Confident64 Ų6489.7 Ų89.739%0.38845%0.453SS..Hα-helixtrans-62.9-38.6176.11710000111.8F256 E258 A267F256-V260 HydrophobicContact CD1-CG2 4.01Å; F256-V260 HydrophobicContact CE1-CG2 3.72Å; F256-V260 HydrophobicContact CZ-CG2 4.22Å; F256-V260 VanDerWaalsContact O-CG2 3.29Å; F256-V260 WeakPolarHBondContact O-CG2 3.38Å; F256-V260 PolarHBondContact O-N 3.04Å; E258-V260 VanDerWaalsContact C-N 3.34Å; E258-V260 PolarHBondContact O-N 2.81Å; V260-A267 HydrophobicContact CB-CB 4.37Å; V260-A267 HydrophobicContact CG2-CB 3.54Å
261K89.4Confident88.4Confident165 Ų16585.6 Ų85.672%0.71744%0.437SS*.Hα-helixtrans-72.7-37179.5-74.2167-171169.80113.1D257 E258 M259D257-K261 WeakPolarHBondContact O-CB 3.05Å; D257-K261 WeakPolarHBondContact O-CD 3.39Å; D257-K261 WeakPolarHBondContact O-CG 3.27Å; D257-K261 PolarHBondContact O-N 2.76Å; E258-K261 PolarHBondContact O-N 3.05Å; M259-K261 VanDerWaalsContact C-N 3.32Å; M259-K261 PolarHBondContact O-N 3.48Å
262L91Very high88.4Confident139 Ų13984.4 Ų84.473%0.72844%0.435SS*.Hα-helixtrans-77.5-53.9179.5-66.4174.3000110.5E258 M259E258-L262 WeakPolarHBondContact O-CG 3.47Å; E258-L262 PolarHBondContact O-N 3.14Å; M259-L262 PolarHBondContact O-N 3.41Å
263D90.5Very high88.6Confident97 Ų9785.5 Ų85.552%0.51944%0.439SS..  trans-146.197.1-174.3-70.9-49000111.9M259 A265 V266 A267M259-D263 CarbonylContact O-C 3.28Å; M259-D263 VanDerWaalsContact O-C 3.28Å; M259-D263 PolarHBondContact O-N 3.27Å; M259-D263 VanDerWaalsContact O-O 3.05Å; D263-A265 PolarHBondContact O-N 2.81Å; D263-V266 HydrophobicContact CB-CB 4Å; D263-V266 HydrophobicContact CB-CG2 3.77Å; D263-V266 PolarHBondContact O-N 2.87Å; D263-A267 PolarHBondContact O-N 3.38Å
264P88.3Confident88.7Confident84 Ų8485 Ų8555%0.54544%0.436SS..Hα-helixtrans-64.5-27.1-176.824.7-34000113.4L268P264-L268 WeakPolarHBondContact O-CG 3.27Å; P264-L268 PolarHBondContact O-N 3.31Å
265A89.9Confident88.7Confident63 Ų6382.3 Ų82.352%0.52143%0.425SS..Hα-helixtrans-67.5-42.2176.300000112.1D263 L268 E269D263-A265 PolarHBondContact O-N 2.81Å; A265-L268 PolarHBondContact O-N 3.05Å; A265-E269 WeakPolarHBondContact O-CG 3.47Å; A265-E269 PolarHBondContact O-N 2.97Å; A265-E269 VanDerWaalsContact O-N 3.09Å
266V89.1Confident88.9Confident67 Ų6781 Ų8141%0.40642%0.421SS..Hα-helixtrans-67.2-39.4179.5178.20000110.7D263 L268 E269 E270D263-V266 HydrophobicContact CB-CB 4Å; D263-V266 HydrophobicContact CB-CG2 3.77Å; D263-V266 PolarHBondContact O-N 2.87Å; V266-L268 VanDerWaalsContact C-N 3.34Å; V266-L268 PolarHBondContact O-N 3.22Å; V266-E269 PolarHBondContact O-N 3.48Å; V266-E270 PolarHBondContact O-N 3Å
267A87.4Confident89.1Confident2 Ų281.1 Ų81.12%0.01743%0.428CS..Hα-helixtrans-62.9-38.6175.900000112.9F256 M259 V260 D263 E270 L271F256-A267 HydrophobicContact CE2-CB 4.41Å; F256-A267 HydrophobicContact CZ-CB 4.42Å; M259-A267 HydrophobicContact CB-CB 4.29Å; V260-A267 HydrophobicContact CB-CB 4.37Å; V260-A267 HydrophobicContact CG2-CB 3.54Å; D263-A267 PolarHBondContact O-N 3.38Å; A267-E270 PolarHBondContact O-N 3.02Å; A267-L271 PolarHBondContact O-N 2.84Å; A267-L271 VanDerWaalsContact O-N 3.08Å
268L87.4Confident89.3Confident106 Ų10679.4 Ų79.456%0.55542%0.415SS*.Hα-helixtrans-67.9-40.2175.6-73.3174.1000112.3P264 A265 V266 E270 L271 N272P264-L268 WeakPolarHBondContact O-CG 3.27Å; P264-L268 PolarHBondContact O-N 3.31Å; A265-L268 PolarHBondContact O-N 3.05Å; V266-L268 VanDerWaalsContact C-N 3.34Å; V266-L268 PolarHBondContact O-N 3.22Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-L271 PolarHBondContact O-N 2.89Å; L268-N272 WeakPolarHBondContact O-CB 3.19Å; L268-N272 PolarHBondContact O-N 3.18Å; L268-N272 PolarHBondContact O-ND2 3.06Å
269E90.1Very high89.4Confident110 Ų11079.8 Ų79.851%0.51442%0.418SS..Hα-helixtrans-61.9-42.2174.7-72.8179.7-17200111.9A265 V266 N272 K273A265-E269 WeakPolarHBondContact O-CG 3.47Å; A265-E269 PolarHBondContact O-N 2.97Å; A265-E269 VanDerWaalsContact O-N 3.09Å; V266-E269 PolarHBondContact O-N 3.48Å; E269-N272 PolarHBondContact O-N 2.83Å; E269-K273 VanDerWaalsContact O-CG 3.3Å; E269-K273 WeakPolarHBondContact O-CG 3.4Å; E269-K273 PolarHBondContact O-N 3.21Å
270E87.9Confident89.7Confident71 Ų7182.6 Ų82.633%0.33243%0.43SS..Hα-helixtrans-66.4-40.2179.1-158.963.1-169.100111.9V266 A267 L268 K273 M274V266-E270 PolarHBondContact O-N 3Å; A267-E270 PolarHBondContact O-N 3.02Å; L268-E270 VanDerWaalsContact C-N 3.34Å; E270-K273 PolarHBondContact O-N 3.39Å; E270-K273 WeakPolarHBondContact OE2-CD 3.41Å; E270-K273 IonicContact OE2-NZ 2.85Å; E270-K273 PolarHBondContact OE2-NZ 2.95Å; E270-M274 HydrophobicContact CG-CE 4.48Å; E270-M274 WeakPolarHBondContact O-CE 3.33Å; E270-M274 WeakPolarHBondContact O-CG 3.19Å; E270-M274 PolarHBondContact O-N 3.47Å; E270-M274 VanDerWaalsContact O-N 3.11Å
271L87.3Confident89.9Confident49 Ų4979.9 Ų79.926%0.25741%0.413SS..Hα-helixtrans-58.4-48.9171.3-162.6176.5000110.9F256 A267 L268 K273 M274 E275F256-L271 HydrophobicContact CZ-CD1 4.42Å; A267-L271 PolarHBondContact O-N 2.84Å; A267-L271 VanDerWaalsContact O-N 3.08Å; L268-L271 PolarHBondContact O-N 2.89Å; L271-K273 VanDerWaalsContact C-N 3.34Å; L271-K273 PolarHBondContact O-N 2.83Å; L271-M274 PolarHBondContact O-N 3.02Å; L271-E275 HydrophobicContact CD2-CG 3.85Å; L271-E275 PolarHBondContact O-N 2.88Å
272N89.8Confident89.8Confident96 Ų9678.7 Ų78.751%0.51341%0.405SS..Hα-helixtrans-62.2-39179.7-72.1-25000112.4L268 E269 M274 E275 L276L268-N272 WeakPolarHBondContact O-CB 3.19Å; L268-N272 PolarHBondContact O-N 3.18Å; L268-N272 PolarHBondContact O-ND2 3.06Å; E269-N272 PolarHBondContact O-N 2.83Å; N272-M274 VanDerWaalsContact C-N 3.35Å; N272-M274 PolarHBondContact O-N 3.46Å; N272-E275 PolarHBondContact O-N 3.34Å; N272-L276 WeakPolarHBondContact O-CB 3.48Å; N272-L276 VanDerWaalsContact O-CG 3.25Å; N272-L276 WeakPolarHBondContact O-CG 3.48Å; N272-L276 PolarHBondContact O-N 3.44Å
273K91.3Very high89.8Confident111 Ų11179 Ų7948%0.48340%0.404SS..Hα-helixtrans-61.1-43.1174.5-71.6172.7-153.6157.50111.7E269 E270 L271 L276 A277E269-K273 VanDerWaalsContact O-CG 3.3Å; E269-K273 WeakPolarHBondContact O-CG 3.4Å; E269-K273 PolarHBondContact O-N 3.21Å; E270-K273 PolarHBondContact O-N 3.39Å; E270-K273 WeakPolarHBondContact OE2-CD 3.41Å; E270-K273 IonicContact OE2-NZ 2.85Å; E270-K273 PolarHBondContact OE2-NZ 2.95Å; L271-K273 VanDerWaalsContact C-N 3.34Å; L271-K273 PolarHBondContact O-N 2.83Å; K273-L276 PolarHBondContact O-N 2.89Å; K273-A277 WeakPolarHBondContact O-CB 3.34Å; K273-A277 PolarHBondContact O-N 2.94Å
274M88.4Confident89.8Confident59 Ų5976.8 Ų76.829%0.29140%0.396SS..Hα-helixtrans-65.1-43.5177.9-70.3-176.4-72.100112.2F252 E270 L271 N272 A277 R278 L325F252-M274 HydrophobicContact CZ-CE 4.08Å; F252-M274 HydrophobicContact CZ-SD 3.84Å; E270-M274 HydrophobicContact CG-CE 4.48Å; E270-M274 WeakPolarHBondContact O-CE 3.33Å; E270-M274 WeakPolarHBondContact O-CG 3.19Å; E270-M274 PolarHBondContact O-N 3.47Å; E270-M274 VanDerWaalsContact O-N 3.11Å; L271-M274 PolarHBondContact O-N 3.02Å; N272-M274 VanDerWaalsContact C-N 3.35Å; N272-M274 PolarHBondContact O-N 3.46Å; M274-A277 PolarHBondContact O-N 3.22Å; M274-R278 WeakPolarHBondContact O-CB 3.41Å; M274-R278 PolarHBondContact O-N 3.32Å; M274-L325 HydrophobicContact CE-CD1 3.1Å; M274-L325 HydrophobicContact SD-CD1 3.44Å; M274-L325 WeakPolarHBondContact SD-CD1 3.42Å
275E89.6Confident89.8Confident55 Ų5577.7 Ų77.726%0.25740%0.396SS..Hα-helixtrans-69.3-35.5176.6-73.2-70.5178.900112.5L271 N272 R278 M279L271-E275 HydrophobicContact CD2-CG 3.85Å; L271-E275 PolarHBondContact O-N 2.88Å; N272-E275 PolarHBondContact O-N 3.34Å; E275-R278 WeakPolarHBondContact O-CB 3.46Å; E275-R278 PolarHBondContact O-N 2.87Å; E275-R278 IonicContact OE1-NH1 3.64Å; E275-R278 IonicContact OE2-NH1 3.23Å; E275-R278 PolarHBondContact OE2-NH1 3.23Å; E275-R278 VanDerWaalsContact OE2-NH1 3.09Å; E275-M279 WeakPolarHBondContact O-CB 3.33Å; E275-M279 WeakPolarHBondContact O-CG 3.25Å; E275-M279 PolarHBondContact O-N 3.41Å
276L92.2Very high89.7Confident95 Ų9581.6 Ų81.650%0.49740%0.401SS..Hα-helixtrans-63.9-43.7172.5-75.8175000111.6N272 K273 R278 M279 Q280N272-L276 WeakPolarHBondContact O-CB 3.48Å; N272-L276 VanDerWaalsContact O-CG 3.25Å; N272-L276 WeakPolarHBondContact O-CG 3.48Å; N272-L276 PolarHBondContact O-N 3.44Å; K273-L276 PolarHBondContact O-N 2.89Å; L276-R278 VanDerWaalsContact C-N 3.29Å; L276-R278 PolarHBondContact O-N 3.26Å; L276-M279 PolarHBondContact O-N 3.39Å; L276-Q280 WeakPolarHBondContact O-CB 3.43Å; L276-Q280 VanDerWaalsContact O-CG 3.22Å; L276-Q280 WeakPolarHBondContact O-CG 3.24Å; L276-Q280 PolarHBondContact O-N 2.84Å
277A91.5Very high89.7Confident30 Ų3080.9 Ų80.925%0.24839%0.393CS..Hα-helixtrans-61-40.2175.100000111.4K273 M274 Q280 E281 L321K273-A277 WeakPolarHBondContact O-CB 3.34Å; K273-A277 PolarHBondContact O-N 2.94Å; M274-A277 PolarHBondContact O-N 3.22Å; A277-Q280 PolarHBondContact O-N 3.46Å; A277-E281 WeakPolarHBondContact O-CB 3.28Å; A277-E281 PolarHBondContact O-N 3.06Å; A277-L321 HydrophobicContact CB-CD2 4.03Å
278R91.6Very high89.6Confident47 Ų4784.2 Ų84.218%0.17741%0.408CS..Hα-helixtrans-64-44.7174.4-179.2166.4-179.1-119-1.8113.3M274 E275 L276 E281 R282 L321 T322M274-R278 WeakPolarHBondContact O-CB 3.41Å; M274-R278 PolarHBondContact O-N 3.32Å; E275-R278 WeakPolarHBondContact O-CB 3.46Å; E275-R278 PolarHBondContact O-N 2.87Å; E275-R278 IonicContact OE1-NH1 3.64Å; E275-R278 IonicContact OE2-NH1 3.23Å; E275-R278 PolarHBondContact OE2-NH1 3.23Å; E275-R278 VanDerWaalsContact OE2-NH1 3.09Å; L276-R278 VanDerWaalsContact C-N 3.29Å; L276-R278 PolarHBondContact O-N 3.26Å; R278-E281 PolarHBondContact O-N 2.87Å; R278-R282 WeakPolarHBondContact O-CB 3.48Å; R278-R282 VanDerWaalsContact O-CG 3.3Å; R278-R282 WeakPolarHBondContact O-CG 3.37Å; R278-R282 PolarHBondContact O-N 3.25Å; R278-L321 WeakPolarHBondContact CA-O 3.25Å; R278-L321 WeakPolarHBondContact CB-O 3.34Å; R278-T322 PolarHBondContact NE-O 2.73Å
279M91.2Very high89.5Confident101 Ų10182.4 Ų82.450%0.49840%0.399SS..Hα-helixtrans-62.3-45.3174.5-76.5177.653.400111.2E275 L276 E281 R282 M283E275-M279 WeakPolarHBondContact O-CB 3.33Å; E275-M279 WeakPolarHBondContact O-CG 3.25Å; E275-M279 PolarHBondContact O-N 3.41Å; L276-M279 PolarHBondContact O-N 3.39Å; M279-E281 PolarHBondContact O-N 2.91Å; M279-R282 PolarHBondContact O-N 2.96Å; M279-M283 HydrophobicContact CB-CE 4.5Å; M279-M283 WeakPolarHBondContact O-CB 3.42Å; M279-M283 WeakPolarHBondContact O-CG 3.3Å; M279-M283 PolarHBondContact O-N 3.31Å
280Q92.1Very high89.3Confident123 Ų12381.1 Ų81.158%0.57540%0.402SS*.Hα-helixtrans-62.4-41.5177.7-73.8175.13.300111.7L276 A277 S284L276-Q280 WeakPolarHBondContact O-CB 3.43Å; L276-Q280 VanDerWaalsContact O-CG 3.22Å; L276-Q280 WeakPolarHBondContact O-CG 3.24Å; L276-Q280 PolarHBondContact O-N 2.84Å; A277-Q280 PolarHBondContact O-N 3.46Å; Q280-S284 WeakPolarHBondContact O-CB 3.27Å; Q280-S284 PolarHBondContact O-N 3.05Å; Q280-S284 PolarHBondContact O-OG 2.75Å
281E91.2Very high89.3Confident7 Ų779.8 Ų79.83%0.03340%0.401CS..Hα-helixtrans-68.3-40.8177.3-177.155.8-156.700112A277 R278 M279 L285 H287 N318 L321 T322A277-E281 WeakPolarHBondContact O-CB 3.28Å; A277-E281 PolarHBondContact O-N 3.06Å; R278-E281 PolarHBondContact O-N 2.87Å; M279-E281 PolarHBondContact O-N 2.91Å; E281-L285 WeakPolarHBondContact O-CA 3.36Å; E281-L285 PolarHBondContact O-N 3.47Å; E281-H287 VanDerWaalsContact CD-ND1 3.28Å; E281-H287 WeakPolarHBondContact OE1-CA 3.39Å; E281-H287 VanDerWaalsContact OE1-CB 3.24Å; E281-H287 WeakPolarHBondContact OE1-CB 3.45Å; E281-H287 IonicContact OE1-CG 2.73Å; E281-H287 PolarHBondContact OE1-N 2.99Å; E281-H287 IonicContact OE1-ND1 3.09Å; E281-H287 PolarHBondContact OE1-ND1 3.38Å; E281-H287 IonicContact OE2-CE1 3.57Å; E281-H287 IonicContact OE2-CG 3.55Å; E281-H287 IonicContact OE2-ND1 2.88Å; E281-H287 PolarHBondContact OE2-ND1 2.88Å; E281-N318 PolarHBondContact OE1-ND2 3.46Å; E281-L321 HydrophobicContact CB-CB 3.96Å; E281-L321 HydrophobicContact CB-CD1 4.37Å; E281-L321 HydrophobicContact CG-CB 3.94Å; E281-L321 HydrophobicContact CG-CD1 4.24Å; E281-T322 HydrophobicContact CB-CG2 4.41Å; E281-T322 HydrophobicContact CG-CG2 3.8Å
282R88.4Confident89.5Confident141 Ų14186.8 Ų86.853%0.53243%0.429SS..Hα-helixtrans-66.3-38.1175.6-73.7-178.6121.187.64112.9R278 M279 T322R278-R282 WeakPolarHBondContact O-CB 3.48Å; R278-R282 VanDerWaalsContact O-CG 3.3Å; R278-R282 WeakPolarHBondContact O-CG 3.37Å; R278-R282 PolarHBondContact O-N 3.25Å; M279-R282 PolarHBondContact O-N 2.96Å; R282-T322 PolarHBondContact NH1-O 3.37Å
283M91.4Very high89.5Confident146 Ų14688.5 Ų88.572%0.71943%0.429SS*.Hα-helixtrans-73.7-41.1176.9-75.9-164-75.500112.4M279M279-M283 HydrophobicContact CB-CE 4.5Å; M279-M283 WeakPolarHBondContact O-CB 3.42Å; M279-M283 WeakPolarHBondContact O-CG 3.3Å; M279-M283 PolarHBondContact O-N 3.31Å
284S89.4Confident89.5Confident50 Ų5083.2 Ų83.235%0.3541%0.406SS..Hα-helixtrans-89.7-19.5-173.370.70000114.3Q280 K286Q280-S284 WeakPolarHBondContact O-CB 3.27Å; Q280-S284 PolarHBondContact O-N 3.05Å; Q280-S284 PolarHBondContact O-OG 2.75Å; S284-K286 PolarHBondContact O-N 3.41Å; S284-K286 WeakPolarHBondContact OG-CD 3.11Å; S284-K286 WeakPolarHBondContact OG-CG 3.17Å
285L87.8Confident89.5Confident102 Ų10285.9 Ų85.953%0.53442%0.416SS..  trans49.129.6-178.8-60.7170.1000113.3E281 Q288E281-L285 WeakPolarHBondContact O-CA 3.36Å; E281-L285 PolarHBondContact O-N 3.47Å; L285-Q288 HydrophobicContact CB-CB 4.46Å; L285-Q288 HydrophobicContact CB-CG 4.11Å; L285-Q288 HydrophobicContact CD2-CG 3.93Å; L285-Q288 WeakPolarHBondContact O-CB 3.44Å; L285-Q288 PolarHBondContact O-N 3.2Å
286K87.6Confident89.6Confident145 Ų14586.2 Ų86.263%0.6342%0.424SS*.THydrogen-bonded Turntrans-66.3-41.4-169.3-80.2174.3-179.4-179.30113.3S284 Q288S284-K286 PolarHBondContact O-N 3.41Å; S284-K286 WeakPolarHBondContact OG-CD 3.11Å; S284-K286 WeakPolarHBondContact OG-CG 3.17Å; K286-Q288 VanDerWaalsContact C-N 3.3Å
287H89.8Confident89.6Confident53 Ų5384.1 Ų84.125%0.24541%0.411CS..THydrogen-bonded Turntrans-93.912.7-178.6-5393000112.4E281 Q314 N318E281-H287 VanDerWaalsContact CD-ND1 3.28Å; E281-H287 WeakPolarHBondContact OE1-CA 3.39Å; E281-H287 VanDerWaalsContact OE1-CB 3.24Å; E281-H287 WeakPolarHBondContact OE1-CB 3.45Å; E281-H287 IonicContact OE1-CG 2.73Å; E281-H287 PolarHBondContact OE1-N 2.99Å; E281-H287 IonicContact OE1-ND1 3.09Å; E281-H287 PolarHBondContact OE1-ND1 3.38Å; E281-H287 IonicContact OE2-CE1 3.57Å; E281-H287 IonicContact OE2-CG 3.55Å; E281-H287 IonicContact OE2-ND1 2.88Å; E281-H287 PolarHBondContact OE2-ND1 2.88Å; H287-Q314 HydrophobicContact CB-CG 4.18Å; H287-N318 HydrophobicContact CB-CB 3.79Å
288Q85.2Confident89.6Confident71 Ų7185.6 Ų85.633%0.33242%0.417SS..SBendtrans-78.6154.9167.9-65.9-64.8-1600111.3L285 K286 S290 Q314 N318L285-Q288 HydrophobicContact CB-CB 4.46Å; L285-Q288 HydrophobicContact CB-CG 4.11Å; L285-Q288 HydrophobicContact CD2-CG 3.93Å; L285-Q288 WeakPolarHBondContact O-CB 3.44Å; L285-Q288 PolarHBondContact O-N 3.2Å; K286-Q288 VanDerWaalsContact C-N 3.3Å; Q288-S290 PolarHBondContact O-N 3.48Å; Q288-Q314 PolarHBondContact O-NE2 3.14Å; Q288-N318 PolarHBondContact NE2-ND2 3.46Å; Q288-N318 VanDerWaalsContact NE2-ND2 3.16Å; Q288-N318 PolarHBondContact NE2-OD1 3.3Å; Q288-N318 VanDerWaalsContact NE2-OD1 3.09Å
289N86.8Confident89.6Confident69 Ų6988.9 Ų88.937%0.36944%0.437SS..THydrogen-bonded Turntrans-71.622.2178.7-163.913000114A294 V298 M311N289-A294 VanDerWaalsContact OD1-CB 3.25Å; N289-A294 WeakPolarHBondContact OD1-CB 3.4Å; N289-V298 WeakPolarHBondContact ND2-CG2 3.41Å; N289-V298 WeakPolarHBondContact OD1-CG2 3.46Å; N289-M311 HydrophobicContact CB-CE 4.47Å; N289-M311 WeakPolarHBondContact OD1-CE 3.29Å
290S85.6Confident89.6Confident82 Ų8288.8 Ų88.857%0.57344%0.436SS*.THydrogen-bonded Turntrans-88.3-23.4-177.3-172.70000113Q288 K295Q288-S290 PolarHBondContact O-N 3.48Å; S290-K295 WeakPolarHBondContact O-CE 3.41Å; S290-K295 PolarHBondContact O-NZ 3.08Å; S290-K295 VanDerWaalsContact O-NZ 3.12Å
291S88Confident89.5Confident44 Ų4483.7 Ų83.731%0.30842%0.415SS..SBendtrans-68151-175.6780000112.5W293 A294 K295S291-W293 PolarHBondContact O-N 3.43Å; S291-A294 PolarHBondContact O-N 2.82Å; S291-A294 VanDerWaalsContact O-N 3.16Å; S291-A294 WeakPolarHBondContact OG-CB 3.33Å; S291-A294 PolarHBondContact OG-N 3.19Å; S291-A294 VanDerWaalsContact OG-N 3.16Å; S291-K295 WeakPolarHBondContact O-CG 3.3Å; S291-K295 PolarHBondContact O-N 3.34Å
292K90.4Very high89.5Confident196 Ų19690.7 Ų90.785%0.85245%0.445SS*.Hα-helixtrans-58.4-34.3177-68.2-175.2-177.4179.90112.1S296K292-S296 WeakPolarHBondContact O-CB 3.41Å; K292-S296 PolarHBondContact O-N 3.31Å; K292-S296 VanDerWaalsContact O-N 3.07Å
293W90Very high89.7Confident131 Ų13193.7 Ų93.750%0.49646%0.458SS..Hα-helixtrans-64.8-48.4175179.389.3000111.8S291 S296 K297 A310 Q314S291-W293 PolarHBondContact O-N 3.43Å; W293-S296 PolarHBondContact O-N 2.94Å; W293-K297 HydrophobicContact CD2-CG 4.22Å; W293-K297 HydrophobicContact CH2-CG 4.39Å; W293-K297 HydrophobicContact CZ2-CG 4Å; W293-K297 PolarHBondContact O-N 3.46Å; W293-A310 HydrophobicContact CH2-CB 4.07Å; W293-A310 HydrophobicContact CZ2-CB 4.32Å; W293-Q314 HydrophobicContact CZ3-CB 4.4Å; W293-Q314 HydrophobicContact CZ3-CG 4.45Å
294A90.8Very high89.8Confident0 Ų089.3 Ų89.30%044%0.437CS..Hα-helixtrans-63.5-45.1179.700000111.2N289 S291 S296 K297 V298 M311N289-A294 VanDerWaalsContact OD1-CB 3.25Å; N289-A294 WeakPolarHBondContact OD1-CB 3.4Å; S291-A294 PolarHBondContact O-N 2.82Å; S291-A294 VanDerWaalsContact O-N 3.16Å; S291-A294 WeakPolarHBondContact OG-CB 3.33Å; S291-A294 PolarHBondContact OG-N 3.19Å; S291-A294 VanDerWaalsContact OG-N 3.16Å; A294-S296 VanDerWaalsContact C-N 3.33Å; A294-S296 PolarHBondContact O-N 3.39Å; A294-K297 PolarHBondContact O-N 3.46Å; A294-K297 VanDerWaalsContact O-N 3.17Å; A294-V298 VanDerWaalsContact O-CG2 3.24Å; A294-V298 WeakPolarHBondContact O-CG2 3.45Å; A294-V298 PolarHBondContact O-N 2.89Å; A294-M311 HydrophobicContact CB-CE 4.45Å; A294-M311 HydrophobicContact CB-SD 4.15Å
295K89.8Confident89.9Confident115 Ų11593 Ų9350%0.545%0.45SS..Hα-helixtrans-57.7-42174.7-70.2173.7178.8166.30113S290 S291 I299S290-K295 WeakPolarHBondContact O-CE 3.41Å; S290-K295 PolarHBondContact O-NZ 3.08Å; S290-K295 VanDerWaalsContact O-NZ 3.12Å; S291-K295 WeakPolarHBondContact O-CG 3.3Å; S291-K295 PolarHBondContact O-N 3.34Å; K295-I299 WeakPolarHBondContact O-CG1 3.35Å; K295-I299 PolarHBondContact O-N 3.09Å
296S91.7Very high90.1Very high62 Ų6295 Ų9543%0.43446%0.456SS..Hα-helixtrans-64.7-47.3175.3-178.20000111.4K292 W293 A294 V298 I299 M300K292-S296 WeakPolarHBondContact O-CB 3.41Å; K292-S296 PolarHBondContact O-N 3.31Å; K292-S296 VanDerWaalsContact O-N 3.07Å; W293-S296 PolarHBondContact O-N 2.94Å; A294-S296 VanDerWaalsContact C-N 3.33Å; A294-S296 PolarHBondContact O-N 3.39Å; S296-V298 VanDerWaalsContact C-N 3.32Å; S296-V298 PolarHBondContact O-N 2.83Å; S296-I299 PolarHBondContact O-N 3.35Å; S296-I299 VanDerWaalsContact O-N 3.14Å; S296-M300 WeakPolarHBondContact O-CG 3.27Å; S296-M300 PolarHBondContact O-N 2.88Å
297K92.5Very high90.4Very high52 Ų5288.1 Ų88.123%0.22643%0.426CS..Hα-helixtrans-65.7-30.5178.7-75-66.8-172.1179.70113.3W293 A294 M300 A301 A307 M311W293-K297 HydrophobicContact CD2-CG 4.22Å; W293-K297 HydrophobicContact CH2-CG 4.39Å; W293-K297 HydrophobicContact CZ2-CG 4Å; W293-K297 PolarHBondContact O-N 3.46Å; A294-K297 PolarHBondContact O-N 3.46Å; A294-K297 VanDerWaalsContact O-N 3.17Å; K297-M300 CarbonylContact O-C 3.59Å; K297-M300 PolarHBondContact O-N 3.09Å; K297-A301 WeakPolarHBondContact O-CB 3.49Å; K297-A301 PolarHBondContact O-N 3.16Å; K297-A307 HydrophobicContact CD-CB 3.77Å; K297-M311 HydrophobicContact CB-CG 3.89Å; K297-M311 HydrophobicContact CB-SD 3.86Å
298V90.8Very high90.5Very high61 Ų6191.7 Ų91.737%0.3744%0.437SS..Hα-helixtrans-61.5-43171.11700000111.7N289 A294 S296 M300 A301 M311N289-V298 WeakPolarHBondContact ND2-CG2 3.41Å; N289-V298 WeakPolarHBondContact OD1-CG2 3.46Å; A294-V298 VanDerWaalsContact O-CG2 3.24Å; A294-V298 WeakPolarHBondContact O-CG2 3.45Å; A294-V298 PolarHBondContact O-N 2.89Å; S296-V298 VanDerWaalsContact C-N 3.32Å; S296-V298 PolarHBondContact O-N 2.83Å; V298-M300 VanDerWaalsContact C-N 3.35Å; V298-A301 PolarHBondContact O-N 2.91Å; V298-M311 HydrophobicContact CG2-CE 3.6Å; V298-M311 HydrophobicContact CG2-CG 4.48Å; V298-M311 HydrophobicContact CG2-SD 3.94Å
299I91.3Very high90.9Very high116 Ų11694 Ų9460%0.59545%0.446SS*.Hα-helixtrans-65.8-43177.5-63.2166.1000109.8K295 S296K295-I299 WeakPolarHBondContact O-CG1 3.35Å; K295-I299 PolarHBondContact O-N 3.09Å; S296-I299 PolarHBondContact O-N 3.35Å; S296-I299 VanDerWaalsContact O-N 3.14Å
300M90.8Very high91.1Very high98 Ų9891.7 Ų91.748%0.48344%0.437SS..Hα-helixtrans-73-26.9179.5-58.6-157.793.900113.6S296 K297 V298 K302 Y303 D304 A307S296-M300 WeakPolarHBondContact O-CG 3.27Å; S296-M300 PolarHBondContact O-N 2.88Å; K297-M300 CarbonylContact O-C 3.59Å; K297-M300 PolarHBondContact O-N 3.09Å; V298-M300 VanDerWaalsContact C-N 3.35Å; M300-K302 PolarHBondContact O-N 2.98Å; M300-Y303 PolarHBondContact O-N 3.43Å; M300-D304 PolarHBondContact O-N 3Å; M300-A307 HydrophobicContact CB-CB 3.96Å
301A91.4Very high91.3Very high16 Ų1688.5 Ų88.513%0.13241%0.413CS..THydrogen-bonded Turntrans-63.5-13.6179.900000113.8K297 V298 Y303 A307 R308K297-A301 WeakPolarHBondContact O-CB 3.49Å; K297-A301 PolarHBondContact O-N 3.16Å; V298-A301 PolarHBondContact O-N 2.91Å; A301-Y303 VanDerWaalsContact C-N 3.33Å; A301-A307 HydrophobicContact CB-CB 4.38Å; A301-R308 HydrophobicContact CB-CB 4.15Å; A301-R308 PolarHBondContact O-NE 3.44Å; A301-R308 PolarHBondContact O-NH2 2.96Å
302K90Very high91.5Very high154 Ų15491.7 Ų91.767%0.6742%0.423SS*.THydrogen-bonded Turntrans-67-35.9169.4-65.8-173.2178.8-173.50112M300M300-K302 PolarHBondContact O-N 2.98Å
303Y92.1Very high91.5Very high204 Ų20488.1 Ų88.180%0.841%0.409SS*.THydrogen-bonded Turntrans-112.4-24.1-170.6-53.8-71.2000113.4M300 A301M300-Y303 PolarHBondContact O-N 3.43Å; A301-Y303 VanDerWaalsContact C-N 3.33Å
304D94.1Very high91.6Very high54 Ų5482.7 Ų82.729%0.28939%0.39SS..  trans-120.4127.7-175.3179.315.5000111.7M300 E306 A307 R308M300-D304 PolarHBondContact O-N 3Å; D304-E306 PolarHBondContact OD1-N 3.36Å; D304-A307 HydrophobicContact CB-CB 4Å; D304-A307 PolarHBondContact OD2-N 2.65Å; D304-R308 PolarHBondContact O-N 3.46Å
305E92Very high91.5Very high129 Ų12986 Ų8660%0.60341%0.407SS*.Hα-helixtrans-71.6-32.2177.8-64.3-171173.800112.3R308 K309E305-R308 WeakPolarHBondContact O-CB 3.17Å; E305-R308 PolarHBondContact O-N 2.94Å; E305-K309 WeakPolarHBondContact O-CG 3.41Å; E305-K309 PolarHBondContact O-N 2.9Å
306E92.6Very high91.5Very high143 Ų14384.5 Ų84.567%0.66840%0.402SS*.Hα-helixtrans-68.6-41178.6-62.3-175174.300110.5D304 R308 K309 A310D304-E306 PolarHBondContact OD1-N 3.36Å; E306-R308 VanDerWaalsContact C-N 3.27Å; E306-R308 PolarHBondContact O-N 2.89Å; E306-K309 PolarHBondContact O-N 3.44Å; E306-A310 WeakPolarHBondContact O-CB 3.24Å; E306-A310 PolarHBondContact O-N 3.49Å
307A92.5Very high91.4Very high0 Ų085.5 Ų85.50%040%0.401CS..Hα-helixtrans-59.6-37.7171.700000112.5K297 M300 A301 D304 M311K297-A307 HydrophobicContact CD-CB 3.77Å; M300-A307 HydrophobicContact CB-CB 3.96Å; A301-A307 HydrophobicContact CB-CB 4.38Å; D304-A307 HydrophobicContact CB-CB 4Å; D304-A307 PolarHBondContact OD2-N 2.65Å; A307-M311 WeakPolarHBondContact O-CG 3.4Å; A307-M311 PolarHBondContact O-N 2.89Å; A307-M311 VanDerWaalsContact O-N 3.08Å
308R91.4Very high91.4Very high128 Ų12883.8 Ų83.848%0.48339%0.394SS..Hα-helixtrans-68.2-43.3176.4-163.3179.4-60.5142.73.5112.2A301 D304 E305 E306 M311 Q312A301-R308 HydrophobicContact CB-CB 4.15Å; A301-R308 PolarHBondContact O-NE 3.44Å; A301-R308 PolarHBondContact O-NH2 2.96Å; D304-R308 PolarHBondContact O-N 3.46Å; E305-R308 WeakPolarHBondContact O-CB 3.17Å; E305-R308 PolarHBondContact O-N 2.94Å; E306-R308 VanDerWaalsContact C-N 3.27Å; E306-R308 PolarHBondContact O-N 2.89Å; R308-M311 PolarHBondContact O-N 3.46Å; R308-Q312 PolarHBondContact O-N 3.22Å
309K93.5Very high91.2Very high120 Ų12087 Ų8752%0.52240%0.403SS..Hα-helixtrans-62.9-44175.4-71.1171.2-173.3166.70111.6E305 E306 M311 Q312 Q313E305-K309 WeakPolarHBondContact O-CG 3.41Å; E305-K309 PolarHBondContact O-N 2.9Å; E306-K309 PolarHBondContact O-N 3.44Å; K309-M311 VanDerWaalsContact C-N 3.35Å; K309-M311 PolarHBondContact O-N 3.21Å; K309-Q312 PolarHBondContact O-N 2.86Å; K309-Q313 WeakPolarHBondContact O-CG 3.24Å; K309-Q313 PolarHBondContact O-N 3.09Å
310A92.5Very high91.1Very high21 Ų2187.4 Ų87.417%0.17440%0.402CS..Hα-helixtrans-63.2-39.6178.100000112.4W293 E306 Q313 Q314W293-A310 HydrophobicContact CH2-CB 4.07Å; W293-A310 HydrophobicContact CZ2-CB 4.32Å; E306-A310 WeakPolarHBondContact O-CB 3.24Å; E306-A310 PolarHBondContact O-N 3.49Å; A310-Q313 PolarHBondContact O-N 3.08Å; A310-Q314 PolarHBondContact O-N 2.91Å
311M89.9Confident91Very high15 Ų1584.9 Ų84.97%0.07439%0.391CS..Hα-helixtrans-64-42.6172.8-80.3-59.3-52.200112.2N289 A294 K297 V298 A307 R308 K309 Q314 L315N289-M311 HydrophobicContact CB-CE 4.47Å; N289-M311 WeakPolarHBondContact OD1-CE 3.29Å; A294-M311 HydrophobicContact CB-CE 4.45Å; A294-M311 HydrophobicContact CB-SD 4.15Å; K297-M311 HydrophobicContact CB-CG 3.89Å; K297-M311 HydrophobicContact CB-SD 3.86Å; V298-M311 HydrophobicContact CG2-CE 3.6Å; V298-M311 HydrophobicContact CG2-CG 4.48Å; V298-M311 HydrophobicContact CG2-SD 3.94Å; A307-M311 WeakPolarHBondContact O-CG 3.4Å; A307-M311 PolarHBondContact O-N 2.89Å; A307-M311 VanDerWaalsContact O-N 3.08Å; R308-M311 PolarHBondContact O-N 3.46Å; K309-M311 VanDerWaalsContact C-N 3.35Å; K309-M311 PolarHBondContact O-N 3.21Å; M311-Q314 PolarHBondContact O-N 3.08Å; M311-L315 WeakPolarHBondContact O-CG 3.39Å; M311-L315 PolarHBondContact O-N 3.48Å; M311-L315 VanDerWaalsContact O-N 3.08Å
312Q90.8Very high90.7Very high110 Ų11085.7 Ų85.751%0.51439%0.394SS..Hα-helixtrans-63.4-44.3177.4-174.9178.7-16.300111.4R308 K309 Q314 L315 E316R308-Q312 PolarHBondContact O-N 3.22Å; K309-Q312 PolarHBondContact O-N 2.86Å; Q312-Q314 VanDerWaalsContact C-N 3.33Å; Q312-Q314 PolarHBondContact O-N 2.96Å; Q312-L315 PolarHBondContact O-N 3.39Å; Q312-E316 HydrophobicContact CG-CG 4.41Å; Q312-E316 WeakPolarHBondContact CG-OE1 3.34Å; Q312-E316 PolarHBondContact NE2-OE1 3.06Å; Q312-E316 WeakPolarHBondContact O-CB 3.36Å; Q312-E316 WeakPolarHBondContact O-CG 3.41Å; Q312-E316 PolarHBondContact O-N 3.33Å
313Q92Very high90.4Very high121 Ų12184.4 Ų84.457%0.56539%0.39SS*.Hα-helixtrans-59.7-42.1175.5-73.7172-7.900111.8K309 A310 L315 E316 M317K309-Q313 WeakPolarHBondContact O-CG 3.24Å; K309-Q313 PolarHBondContact O-N 3.09Å; A310-Q313 PolarHBondContact O-N 3.08Å; Q313-L315 VanDerWaalsContact C-N 3.35Å; Q313-L315 PolarHBondContact O-N 3.37Å; Q313-E316 PolarHBondContact O-N 2.92Å; Q313-M317 WeakPolarHBondContact O-CB 3.39Å; Q313-M317 VanDerWaalsContact O-CG 3.27Å; Q313-M317 WeakPolarHBondContact O-CG 3.45Å; Q313-M317 PolarHBondContact O-N 3.03Å
314Q90.9Very high89.8Confident17 Ų1780 Ų808%0.07938%0.375CS..Hα-helixtrans-61.7-43176.2-167.5-170.68.800111.7H287 Q288 W293 A310 M311 Q312 M317 N318H287-Q314 HydrophobicContact CB-CG 4.18Å; Q288-Q314 PolarHBondContact O-NE2 3.14Å; W293-Q314 HydrophobicContact CZ3-CB 4.4Å; W293-Q314 HydrophobicContact CZ3-CG 4.45Å; A310-Q314 PolarHBondContact O-N 2.91Å; M311-Q314 PolarHBondContact O-N 3.08Å; Q312-Q314 VanDerWaalsContact C-N 3.33Å; Q312-Q314 PolarHBondContact O-N 2.96Å; Q314-M317 PolarHBondContact O-N 2.98Å; Q314-N318 PolarHBondContact O-N 3.36Å
315L89.3Confident88.6Confident71 Ų7180 Ų8037%0.37238%0.375SS..Hα-helixtrans-69.3-35177-68.1174.3000112.5M311 Q312 Q313 N318 K319M311-L315 WeakPolarHBondContact O-CG 3.39Å; M311-L315 PolarHBondContact O-N 3.48Å; M311-L315 VanDerWaalsContact O-N 3.08Å; Q312-L315 PolarHBondContact O-N 3.39Å; Q313-L315 VanDerWaalsContact C-N 3.35Å; Q313-L315 PolarHBondContact O-N 3.37Å; L315-N318 PolarHBondContact O-N 2.84Å; L315-K319 VanDerWaalsContact O-CG 3.28Å; L315-K319 WeakPolarHBondContact O-CG 3.49Å; L315-K319 PolarHBondContact O-N 3.17Å
316E90.3Very high87Confident82 Ų8277.3 Ų77.338%0.38336%0.364SS..Hα-helixtrans-63.3-47.7172.9-76170.3-17700110.6Q312 Q313 N318 K319 E320Q312-E316 HydrophobicContact CG-CG 4.41Å; Q312-E316 WeakPolarHBondContact CG-OE1 3.34Å; Q312-E316 PolarHBondContact NE2-OE1 3.06Å; Q312-E316 WeakPolarHBondContact O-CB 3.36Å; Q312-E316 WeakPolarHBondContact O-CG 3.41Å; Q312-E316 PolarHBondContact O-N 3.33Å; Q313-E316 PolarHBondContact O-N 2.92Å; E316-N318 VanDerWaalsContact C-N 3.3Å; E316-N318 PolarHBondContact O-N 3.34Å; E316-K319 WeakPolarHBondContact O-CB 3.37Å; E316-K319 PolarHBondContact O-N 3.27Å; E316-K319 VanDerWaalsContact O-N 3.09Å; E316-E320 WeakPolarHBondContact O-CG 3.42Å; E316-E320 PolarHBondContact O-N 3.07Å
317M89.8Confident85.3Confident84 Ų8473.7 Ų73.741%0.41435%0.352SS..Hα-helixtrans-57.5-42173.5-71.1-64.1-61.300111.9Q313 Q314 E320 L321Q313-M317 WeakPolarHBondContact O-CB 3.39Å; Q313-M317 VanDerWaalsContact O-CG 3.27Å; Q313-M317 WeakPolarHBondContact O-CG 3.45Å; Q313-M317 PolarHBondContact O-N 3.03Å; Q314-M317 PolarHBondContact O-N 2.98Å; M317-E320 PolarHBondContact O-N 2.84Å; M317-L321 WeakPolarHBondContact O-CB 3.22Å; M317-L321 VanDerWaalsContact O-CG 3.24Å; M317-L321 WeakPolarHBondContact O-CG 3.45Å; M317-L321 PolarHBondContact O-N 3.31Å
318N90.8Very high83.5Confident15 Ų1579.3 Ų79.38%0.0839%0.388CS..Hα-helixtrans-63.3-43.7175.7-173.1-99.3000111.8E281 H287 Q288 Q314 L315 E316 T322E281-N318 PolarHBondContact OE1-ND2 3.46Å; H287-N318 HydrophobicContact CB-CB 3.79Å; Q288-N318 PolarHBondContact NE2-ND2 3.46Å; Q288-N318 VanDerWaalsContact NE2-ND2 3.16Å; Q288-N318 PolarHBondContact NE2-OD1 3.3Å; Q288-N318 VanDerWaalsContact NE2-OD1 3.09Å; Q314-N318 PolarHBondContact O-N 3.36Å; L315-N318 PolarHBondContact O-N 2.84Å; E316-N318 VanDerWaalsContact C-N 3.3Å; E316-N318 PolarHBondContact O-N 3.34Å; N318-T322 VanDerWaalsContact O-CB 3.3Å; N318-T322 WeakPolarHBondContact O-CB 3.38Å; N318-T322 VanDerWaalsContact O-CG2 3.27Å; N318-T322 WeakPolarHBondContact O-CG2 3.47Å; N318-T322 PolarHBondContact O-N 3.16Å; N318-T322 PolarHBondContact O-OG1 3.16Å
319K88.1Confident81.5Confident128 Ų12881.4 Ų81.456%0.55741%0.408SS*.Hα-helixtrans-63.4-43.7176.8-72.9174-174.9-177.70111.4L315 E316 T322 Q323L315-K319 VanDerWaalsContact O-CG 3.28Å; L315-K319 WeakPolarHBondContact O-CG 3.49Å; L315-K319 PolarHBondContact O-N 3.17Å; E316-K319 WeakPolarHBondContact O-CB 3.37Å; E316-K319 PolarHBondContact O-N 3.27Å; E316-K319 VanDerWaalsContact O-N 3.09Å; K319-T322 PolarHBondContact O-N 2.99Å; K319-Q323 VanDerWaalsContact O-CB 3.27Å; K319-Q323 WeakPolarHBondContact O-CB 3.49Å; K319-Q323 WeakPolarHBondContact O-CG 3.4Å; K319-Q323 PolarHBondContact O-N 3.12Å; K319-Q323 PolarHBondContact O-NE2 2.84Å
320E87.9Confident79.6Confident125 Ų12580.1 Ų80.158%0.58441%0.407SS*.Hα-helixtrans-63-44.9179-72.7175.9-178.200111.6E316 M317E316-E320 WeakPolarHBondContact O-CG 3.42Å; E316-E320 PolarHBondContact O-N 3.07Å; M317-E320 PolarHBondContact O-N 2.84Å
321L89Confident77.3Confident46 Ų4684.8 Ų84.824%0.24143%0.429CS..Hα-helixtrans-72.9-28.8179.5-66.5171.5000113.1A277 R278 E281 M317A277-L321 HydrophobicContact CB-CD2 4.03Å; R278-L321 WeakPolarHBondContact CA-O 3.25Å; R278-L321 WeakPolarHBondContact CB-O 3.34Å; E281-L321 HydrophobicContact CB-CB 3.96Å; E281-L321 HydrophobicContact CB-CD1 4.37Å; E281-L321 HydrophobicContact CG-CB 3.94Å; E281-L321 HydrophobicContact CG-CD1 4.24Å; M317-L321 WeakPolarHBondContact O-CB 3.22Å; M317-L321 VanDerWaalsContact O-CG 3.24Å; M317-L321 WeakPolarHBondContact O-CG 3.45Å; M317-L321 PolarHBondContact O-N 3.31Å
322T85.1Confident74.8Confident32 Ų3291.1 Ų91.120%0.19646%0.463CS..Hα-helixtrans-96.4-12.5-176.2600000114.8R278 E281 R282 N318 K319 K324R278-T322 PolarHBondContact NE-O 2.73Å; E281-T322 HydrophobicContact CB-CG2 4.41Å; E281-T322 HydrophobicContact CG-CG2 3.8Å; R282-T322 PolarHBondContact NH1-O 3.37Å; N318-T322 VanDerWaalsContact O-CB 3.3Å; N318-T322 WeakPolarHBondContact O-CB 3.38Å; N318-T322 VanDerWaalsContact O-CG2 3.27Å; N318-T322 WeakPolarHBondContact O-CG2 3.47Å; N318-T322 PolarHBondContact O-N 3.16Å; N318-T322 PolarHBondContact O-OG1 3.16Å; K319-T322 PolarHBondContact O-N 2.99Å; T322-K324 PolarHBondContact O-N 3.03Å
323Q84.1Confident72.6Confident128 Ų12893 Ų9360%0.59848%0.477SS*.PPolyproline II helixtrans-61.3126.1175.5-91.3166.658.900110.6K319K319-Q323 VanDerWaalsContact O-CB 3.27Å; K319-Q323 WeakPolarHBondContact O-CB 3.49Å; K319-Q323 WeakPolarHBondContact O-CG 3.4Å; K319-Q323 PolarHBondContact O-N 3.12Å; K319-Q323 PolarHBondContact O-NE2 2.84Å
324K79.1Confident70.4Confident112 Ų11294.1 Ų94.149%0.48749%0.487SS..PPolyproline II helixtrans-81.6135.7169.8-165.7178.5178.1-171.10108.2T322 I326T322-K324 PolarHBondContact O-N 3.03Å; K324-I326 PolarHBondContact O-N 2.85Å
325L68.5Low68.3Low52 Ų52100.2 Ų100.227%0.27252%0.52SS..PPolyproline II helixtrans-68.6117.2168.8-104158000110.2F252 M274 T327F252-L325 HydrophobicContact CD1-CD2 3.72Å; F252-L325 HydrophobicContact CE1-CD1 3.52Å; F252-L325 HydrophobicContact CE1-CD2 3.3Å; F252-L325 HydrophobicContact CE1-CG 3.92Å; F252-L325 HydrophobicContact CZ-CD1 3.73Å; F252-L325 HydrophobicContact CZ-CD2 4.27Å; F252-L325 HydrophobicContact CZ-CG 4.46Å; M274-L325 HydrophobicContact CE-CD1 3.1Å; M274-L325 HydrophobicContact SD-CD1 3.44Å; M274-L325 WeakPolarHBondContact SD-CD1 3.42Å; L325-T327 PolarHBondContact O-N 3.37Å
326I59.9Low66.4Low74 Ų74105.2 Ų105.238%0.37954%0.541SS..  trans-77.299.3171.3-56.5167.9000106.6K324K324-I326 PolarHBondContact O-N 2.85Å
327T56.9Low64.2Low67 Ų67104.3 Ų104.341%0.41155%0.554SS.*  trans-77.2154.5165.23.20000108.5L325 L329 N330L325-T327 PolarHBondContact O-N 3.37Å; T327-L329 PolarHBondContact O-N 2.95Å; T327-N330 PolarHBondContact O-N 2.88Å
328P54.5Low62.3Low117 Ų117107.8 Ų107.876%0.7657%0.574SS**THydrogen-bonded Turntrans-64.8-5.4-172.728.8-34.7000114
329L49.5Very low60.3Low172 Ų172114.8 Ų114.890%0.90161%0.611SS**THydrogen-bonded Turntrans-82.8-11.1173.7-16269.7000113.2T327T327-L329 PolarHBondContact O-N 2.95Å
330N51.9Low58.2Low94 Ų94116.2 Ų116.250%0.50362%0.623SS.*SBendtrans-118.523-175.1-159.365.1000112.6T327 N332T327-N330 PolarHBondContact O-N 2.88Å; N330-N332 VanDerWaalsContact C-N 3.3Å; N330-N332 PolarHBondContact O-N 3.49Å
331D44.2Very low56Low119 Ų119114 Ų11464%0.63662%0.62SS**  trans-80.673.2-179.1-154.730.6000110.1
332N39Very low54.1Low147 Ų147119 Ų11979%0.78665%0.647SS**  trans-104.3117.2158.5-111.9-2.7000106.8N330 D334N330-N332 VanDerWaalsContact C-N 3.3Å; N330-N332 PolarHBondContact O-N 3.49Å; N332-D334 VanDerWaalsContact C-N 3.29Å; N332-D334 PolarHBondContact O-N 3.44Å
333D44.6Very low51.9Low151 Ų151123.9 Ų123.981%0.80767%0.666SS**SBendtrans-58.666.5-174.4-82.8-55.2000114.7
334D44.3Very low49.9Very low144 Ų144124.4 Ų124.477%0.7768%0.677SS**  trans-138.644.7-176.4-89.3-39.8000114.9N332N332-D334 VanDerWaalsContact C-N 3.29Å; N332-D334 PolarHBondContact O-N 3.44Å
335D48.3Very low48.3Very low145 Ų145126.1 Ų126.178%0.77569%0.692SS**  trans-117.240.8167.9-93.5-39.2000112.3G337D335-G337 VanDerWaalsContact C-N 3.3Å
336E48.3Very low47.3Very low176 Ų176129 Ų12982%0.82271%0.707SS**  trans-93.124.7164.2-77.1-107.6146.600111.7K242K242-E336 IonicContact NZ-OE1 3.23Å; K242-E336 PolarHBondContact NZ-OE1 3.2Å
337G44.1Very low46.5Very low63 Ų63129.9 Ų129.965%0.64973%0.726SS**  trans-104.1-28.3-167.800000118.8D335D335-G337 VanDerWaalsContact C-N 3.3Å
338D49.7Very low45.9Very low156 Ų156132.4 Ų132.483%0.83474%0.741SS**  trans-117.943.9-159-117.416000115.3
339L49.5Very low45.8Very low163 Ų163133.7 Ų133.785%0.85374%0.742SS**  trans-98.475162.8-74.4165.4000108.9P341L339-P341 WeakPolarHBondContact O-CD 3.44Å
340L44.7Very low45.7Very low157 Ų157128.3 Ų128.382%0.82273%0.727SS**  trans-49.3113.9158.8-89.3164000107.3D342L340-D342 PolarHBondContact O-N 3.43Å
341P41.3Very low45.5Very low78 Ų78134.8 Ų134.851%0.50675%0.745SS.*  trans-65.3123.7-176.5-15.528.3000108L339 F343L339-P341 WeakPolarHBondContact O-CD 3.44Å; P341-F343 HydrophobicContact CB-CB 4.3Å; P341-F343 HydrophobicContact CB-CD2 3.25Å; P341-F343 HydrophobicContact CB-CE2 3.87Å; P341-F343 HydrophobicContact CB-CG 4.17Å; P341-F343 PolarHBondContact O-N 3.31Å
342D48Very low45.6Very low153 Ų153134.1 Ų134.182%0.81874%0.741SS**THydrogen-bonded Turntrans-63.424.6170.4-167.832.3000113.1L340L340-D342 PolarHBondContact O-N 3.43Å
343F40.2Very low46.5Very low133 Ų133131.7 Ų131.758%0.58374%0.741SS**THydrogen-bonded Turntrans-88.8-6.3-179.7-68.6-103.5000112.1P341 N345P341-F343 HydrophobicContact CB-CB 4.3Å; P341-F343 HydrophobicContact CB-CD2 3.25Å; P341-F343 HydrophobicContact CB-CE2 3.87Å; P341-F343 HydrophobicContact CB-CG 4.17Å; P341-F343 PolarHBondContact O-N 3.31Å; F343-N345 PolarHBondContact O-N 2.97Å; F343-N345 VanDerWaalsContact O-N 3.11Å
344V41.9Very low47.5Very low139 Ų139129.5 Ų129.584%0.84274%0.738SS**THydrogen-bonded Turntrans-72.7-2.2-178.4-154.20000112.4
345N46.1Very low48.2Very low148 Ų148125.9 Ų125.979%0.79172%0.718SS**THydrogen-bonded Turntrans-125.61.9-179.4-141.522.9000115.3F343F343-N345 PolarHBondContact O-N 2.97Å; F343-N345 VanDerWaalsContact O-N 3.11Å
346D46.1Very low49.1Very low113 Ų113123.1 Ų123.160%0.60471%0.709SS**SBendtrans-95.8103.8164.1-105.7-16.1000106.6V348D346-V348 PolarHBondContact O-N 3.41Å
347A44.2Very low49.6Very low93 Ų93125.9 Ų125.977%0.76971%0.711SS**  trans-59102.717000000108.1D349A347-D349 PolarHBondContact O-N 3.39Å
348V44.5Very low50Low120 Ų120128.6 Ų128.673%0.72771%0.709SS**  trans-68.6103.8170.9-177.60000106.1D346 G350D346-V348 PolarHBondContact O-N 3.41Å; V348-G350 PolarHBondContact O-N 2.94Å
349D51.9Low50.2Low144 Ų144127.4 Ų127.477%0.7770%0.696SS**  trans-55.6108.5167.8-77.7-37.9000107.9A347 R351A347-D349 PolarHBondContact O-N 3.39Å; D349-R351 PolarHBondContact O-N 3.45Å
350G46.6Very low50Low58 Ų58123.4 Ų123.460%0.59869%0.694SS**  trans-67.562.9-178.300000113.1V348V348-G350 PolarHBondContact O-N 2.94Å
351R49Very low50.1Low231 Ų231125 Ų12587%0.87269%0.694SS**  trans-119.236.1174.8-73.8-175.7177.2175.31.2111.9D349 A353D349-R351 PolarHBondContact O-N 3.45Å; R351-A353 PolarHBondContact O-N 3.49Å
352D45.3Very low50.1Low105 Ų105129.1 Ų129.156%0.56171%0.712SS**  trans-75.4108.3161-164.2-13.3000108.4S354D352-S354 PolarHBondContact O-N 3.11Å; D352-S354 PolarHBondContact OD1-N 3.17Å; D352-S354 VanDerWaalsContact OD1-N 3.14Å
353A57.6Low49.7Very low95 Ų95126.2 Ų126.279%0.78570%0.7SS**THydrogen-bonded Turntrans-67.7-11.7-178.900000112.8R351R351-A353 PolarHBondContact O-N 3.49Å
354S66.8Low49.9Very low106 Ų106123.7 Ų123.774%0.74170%0.703SS**THydrogen-bonded Turntrans-96.1-5.3-171.8-163.40000115.2D352D352-S354 PolarHBondContact O-N 3.11Å; D352-S354 PolarHBondContact OD1-N 3.17Å; D352-S354 VanDerWaalsContact OD1-N 3.14Å
355N57.8Low49.9Very low67 Ų67125 Ų12536%0.35870%0.7SS.*  trans-125.3102.8-178.4-166.5-5.2000112.5W357 M358N355-W357 VanDerWaalsContact C-N 3.32Å; N355-W357 PolarHBondContact O-N 3.36Å; N355-W357 PolarHBondContact OD1-N 3.45Å; N355-M358 HydrophobicContact CB-CG 4.28Å; N355-M358 PolarHBondContact O-N 2.85Å
356P67.3Low49.7Very low88 Ų88123.7 Ų123.757%0.57169%0.693SS**G310 helixtrans-70.1-22.6-176.826.6-32000113.9M358 K359P356-M358 VanDerWaalsContact C-N 3.33Å; P356-M358 PolarHBondContact O-N 3.02Å; P356-K359 PolarHBondContact O-N 3.33Å
357W58.2Low49.5Very low233 Ų233121.5 Ų121.588%0.88369%0.686SS**G310 helixtrans-77.7-14.5180-83.1-80.3000114.6N355 K359N355-W357 VanDerWaalsContact C-N 3.32Å; N355-W357 PolarHBondContact O-N 3.36Å; N355-W357 PolarHBondContact OD1-N 3.45Å; W357-K359 VanDerWaalsContact C-N 3.29Å
358M52.8Low49.4Very low121 Ų121122.4 Ų122.460%0.59668%0.678SS**G310 helixtrans-81.7-8.8174.4-75.4-92.1-61.200112.9N355 P356 G360N355-M358 HydrophobicContact CB-CG 4.28Å; N355-M358 PolarHBondContact O-N 2.85Å; P356-M358 VanDerWaalsContact C-N 3.33Å; P356-M358 PolarHBondContact O-N 3.02Å; M358-G360 VanDerWaalsContact C-N 3.34Å; M358-G360 PolarHBondContact O-N 2.87Å; M358-G360 VanDerWaalsContact O-N 3.17Å
359K54.9Low49.5Very low130 Ų130120.5 Ų120.557%0.56567%0.667SS**  trans-87.779.3175.2-60.3-174.8-173.81770108.1P356 W357 K361P356-K359 PolarHBondContact O-N 3.33Å; W357-K359 VanDerWaalsContact C-N 3.29Å; K359-K361 PolarHBondContact O-N 2.86Å
360G45.5Very low49.1Very low79 Ų79118.2 Ų118.281%0.81466%0.658SS**  trans-61.583.4167.200000110.1M358M358-G360 VanDerWaalsContact C-N 3.34Å; M358-G360 PolarHBondContact O-N 2.87Å; M358-G360 VanDerWaalsContact O-N 3.17Å
361K46.1Very low49.2Very low190 Ų190119.8 Ų119.883%0.82666%0.656SS**  trans-92.595.4160.4-63.8-158.2-179.9-168.80106.2K359 T363K359-K361 PolarHBondContact O-N 2.86Å; K361-T363 PolarHBondContact O-N 3.31Å; K361-T363 VanDerWaalsContact O-N 3.13Å
362L41.8Very low49.1Very low166 Ų166115.8 Ų115.887%0.86965%0.647SS**  trans-62.7109.7158.2-81.9161000106.4A364L362-A364 PolarHBondContact O-N 2.83Å
363T39.1Very low49.2Very low92 Ų92113.5 Ų113.556%0.56464%0.643SS**  trans16.497.9157.348.90000115.8K361 E365K361-T363 PolarHBondContact O-N 3.31Å; K361-T363 VanDerWaalsContact O-N 3.13Å; T363-E365 PolarHBondContact O-N 2.88Å
364A44.7Very low48.6Very low80 Ų80111.9 Ų111.966%0.66163%0.629SS**THydrogen-bonded Turntrans-82.219.4163.300000112.3L362 S367L362-A364 PolarHBondContact O-N 2.83Å; A364-S367 PolarHBondContact O-OG 3.43Å
365E40.9Very low47.6Very low166 Ų166113.2 Ų113.278%0.77662%0.624SS**THydrogen-bonded Turntrans-943.3177.1-68.3-170.7166.900113T363T363-E365 PolarHBondContact O-N 2.88Å
366L43.2Very low47.2Very low121 Ų121112.7 Ų112.763%0.63463%0.628SS**SBendtrans-104.6-3.3177.1-80.7165000113.9T369 V370L366-T369 PolarHBondContact O-OG1 3.02Å; L366-V370 WeakPolarHBondContact O-CG2 3.36Å
367S42.1Very low46.4Very low67 Ų67112.6 Ų112.647%0.46963%0.626SS.*SBendtrans-87.3-25.2176.652.70000113.4A364A364-S367 PolarHBondContact O-OG 3.43Å
368D42.1Very low45.7Very low112 Ų112105.6 Ų105.660%0.59961%0.612SS**Hα-helixtrans-82.8-22.9-175.1-64.6-0.5000111.4T371D368-T371 PolarHBondContact O-OG1 2.9Å; D368-T371 VanDerWaalsContact O-OG1 3.12Å
369T45.1Very low45.4Very low79 Ų79106.8 Ų106.849%0.48562%0.616SS.*Hα-helixtrans-80.5-19174.755.80000113.6L366 A373L366-T369 PolarHBondContact O-OG1 3.02Å; T369-A373 WeakPolarHBondContact O-CB 3.18Å; T369-A373 PolarHBondContact O-N 2.97Å
370V45Very low45.1Very low96 Ų96107.5 Ų107.558%0.58262%0.621SS**Hα-helixtrans-85-28178.3179.60000111.2L366 A374L366-V370 WeakPolarHBondContact O-CG2 3.36Å; V370-A374 WeakPolarHBondContact O-CB 3.3Å; V370-A374 PolarHBondContact O-N 3.4Å; V370-A374 VanDerWaalsContact O-N 3.15Å
371T47.2Very low45.2Very low92 Ų92109.9 Ų109.956%0.56461%0.611SS**Hα-helixtrans-76.3-34.1174.747.80000112.7D368 Q375D368-T371 PolarHBondContact O-OG1 2.9Å; D368-T371 VanDerWaalsContact O-OG1 3.12Å; T371-Q375 PolarHBondContact O-N 3.43Å
372E47.2Very low45.3Very low147 Ų147108.1 Ų108.169%0.68761%0.606SS**Hα-helixtrans-70.7-38.3173.9-113.5173.8175.800112.1A374 Q375 A376E372-A374 PolarHBondContact O-N 3.28Å; E372-Q375 PolarHBondContact O-N 3.09Å; E372-A376 PolarHBondContact O-N 3.32Å
373A48.3Very low45.5Very low57 Ų57107.3 Ų107.347%0.47160%0.598SS.*Hα-helixtrans-70-29.9175.900000113.2T369 V377T369-A373 WeakPolarHBondContact O-CB 3.18Å; T369-A373 PolarHBondContact O-N 2.97Å; A373-V377 WeakPolarHBondContact O-CG2 3.37Å; A373-V377 PolarHBondContact O-N 3.25Å
374A45.1Very low45.7Very low60 Ų60107.2 Ų107.250%0.49660%0.6SS.*Hα-helixtrans-75.5-24.8175.100000112.9V370 E372V370-A374 WeakPolarHBondContact O-CB 3.3Å; V370-A374 PolarHBondContact O-N 3.4Å; V370-A374 VanDerWaalsContact O-N 3.15Å; E372-A374 PolarHBondContact O-N 3.28Å
375Q45.9Very low45.6Very low135 Ų135110.6 Ų110.663%0.63160%0.602SS**Hα-helixtrans-80.1-34.2176.3-123.4168.3-21.600112.3T371 E372 C378 E379T371-Q375 PolarHBondContact O-N 3.43Å; E372-Q375 PolarHBondContact O-N 3.09Å; Q375-C378 PolarHBondContact O-N 3.24Å; Q375-E379 PolarHBondContact O-N 3.26Å
376A48Very low45.8Very low55 Ų55107.8 Ų107.846%0.45560%0.596SS.*Hα-helixtrans-68.9-30.7175.300000113.5E372 E380E372-A376 PolarHBondContact O-N 3.32Å; A376-E380 PolarHBondContact O-N 3.21Å
377V50.1Low46Very low86 Ų86107.6 Ų107.652%0.52160%0.599SS.*Hα-helixtrans-76.3-24.6177.9176.80000112.1A373A373-V377 WeakPolarHBondContact O-CG2 3.37Å; A373-V377 PolarHBondContact O-N 3.25Å
378C44.8Very low46.3Very low86 Ų86113 Ų11358%0.58162%0.617SS**Hα-helixtrans-79.2-25175.2-71.90000113.5Q375Q375-C378 PolarHBondContact O-N 3.24Å
379E46.2Very low46.6Very low147 Ų147113.2 Ų113.269%0.68762%0.623SS**Hα-helixtrans-79.9-30.1176.4-70.1-178.6170.600112.2Q375 E383Q375-E379 PolarHBondContact O-N 3.26Å; E379-E383 PolarHBondContact O-N 3.19Å
380E48.3Very low46.7Very low144 Ų144117.9 Ų117.967%0.67364%0.639SS**Hα-helixtrans-74.8-24.7175.3-71-167.4166.100113.7A376 C384A376-E380 PolarHBondContact O-N 3.21Å; E380-C384 PolarHBondContact O-N 3.26Å; E380-C384 PolarHBondContact O-SG 2.68Å
381E48.7Very low46.5Very low129 Ų129126.3 Ų126.360%0.60367%0.672SS**Hα-helixtrans-78.4-25.4175.4-73-165.9172.700113.2
382E46.5Very low46.4Very low153 Ų153128.1 Ų128.172%0.71568%0.678SS**Hα-helixtrans-78-31.1172.1-71.6-161165.700112.2
383E46.2Very low46.4Very low149 Ų149127.1 Ų127.170%0.69668%0.677SS**Hα-helixtrans-76.4-27.4176.8-142.8172.6-161.800112.6E379E379-E383 PolarHBondContact O-N 3.19Å
384C43.6Very low46.3Very low91 Ų91130.9 Ų130.962%0.61569%0.689SS**Hα-helixtrans-74.2-26.4172.9-76.10000114.1E380E380-C384 PolarHBondContact O-N 3.26Å; E380-C384 PolarHBondContact O-SG 2.68Å
385Q43.1Very low46.4Very low151 Ų151135.1 Ų135.171%0.70670%0.7SS**Hα-helixtrans-79.9-18.3178.7-79.2-1761600114
386V45.3Very low46.4Very low107 Ų107135.1 Ų135.165%0.64870%0.704SS**Hα-helixtrans-80.6-22.6178.5179.50000111.9
387V47.4Very low46.3Very low116 Ų116140.5 Ų140.570%0.70372%0.721SS**Hα-helixtrans-86.4-18.4-176.7-174.20000113.4T389V387-T389 PolarHBondContact O-N 2.86Å
388E47.3Very low46Very low180 Ų180144.4 Ų144.484%0.84174%0.735SS**THydrogen-bonded Turntrans-88.89.3178.8-72.8-164.9156.900114.9
389T49.5Very low46.1Very low118 Ų118148.8 Ų148.872%0.72475%0.747SS**THydrogen-bonded Turntrans-114.87.9179.2570000115.6V387V387-T389 PolarHBondContact O-N 2.86Å
390E46.7Very low46.1Very low176 Ų176149 Ų14982%0.82275%0.752SS**  trans-129.273.7171.4-67-167161.800111.8
391E40.5Very low45.9Very low274 Ų274149.5 Ų149.5100%1.2876%0.759SS**  trans-149.10146.9-91.9-161.3159.100111.2

Retrieved 391 of 391 residues in 377.6 ms (Link to these results)