A0A096MQX7_PAPAN Loading...

C-type lectin domain family 12 member B

AlphaFold DB , UniProt , Accession A0A096MQX7, Species PAPAN (Papio anubis, Olive baboon), Gene CLEC12B, Length 276 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low40.9Very low230 Ų230144.4 Ų144.4100%1.13380%0.804SS**  060.70-161.6163.5177.600106.8
2S43.7Very low40.8Very low92 Ų92148.9 Ų148.964%0.64381%0.81SS**  70.812355.2-52.70000110.1
3E38.1Very low40.5Very low170 Ų170150.7 Ų150.779%0.79481%0.81SS**  cis-157-178.7-2-135.9143.3-106.700111.8
4E39.8Very low39.9Very low169 Ų169149.5 Ų149.579%0.7980%0.803SS**  trans-50.4132.9-170.5-70.4171.1119.300116.9
5V48.4Very low39.3Very low94 Ų94154.6 Ų154.657%0.5781%0.808SS**  17122111.8-179.10000116.8Y7V5-Y7 HydrophobicContact CG1-CD1 4.32Å; V5-Y7 HydrophobicContact CG1-CD2 3.98Å; V5-Y7 HydrophobicContact CG1-CE1 3.73Å; V5-Y7 HydrophobicContact CG1-CE2 3.32Å; V5-Y7 HydrophobicContact CG1-CG 4.44Å; V5-Y7 WeakPolarHBondContact CG1-OH 3.36Å
6T44.2Very low39Very low140 Ų140151.8 Ų151.886%0.85982%0.815SS**  trans-141.8127149.3-41.80000111.4
7Y43.8Very low38.7Very low202 Ų202147.1 Ų147.179%0.79281%0.81SS**  trans-102.4154.1171.5-23.4-97.3000110.1V5V5-Y7 HydrophobicContact CG1-CD1 4.32Å; V5-Y7 HydrophobicContact CG1-CD2 3.98Å; V5-Y7 HydrophobicContact CG1-CE1 3.73Å; V5-Y7 HydrophobicContact CG1-CE2 3.32Å; V5-Y7 HydrophobicContact CG1-CG 4.44Å; V5-Y7 WeakPolarHBondContact CG1-OH 3.36Å
8A45Very low38.5Very low96 Ų96144.8 Ų144.879%0.79381%0.814SS**  trans-162.8150.6158.200000111.4
9T38.5Very low38.3Very low130 Ų130149.1 Ų149.180%0.79882%0.816SS**  cis-159.1139.4-29.1-76.10000106.2
10L37.4Very low37.9Very low170 Ų170148.5 Ų148.589%0.8981%0.812SS**  trans-100.6130.7163.8-90.1165.7000109.3
11A32.5Very low37.7Very low95 Ų95147.7 Ų147.779%0.78581%0.806SS**  trans173.7154.6136.100000112.7
12F39.9Very low37.4Very low199 Ų199147.4 Ų147.487%0.87379%0.793SS**  trans-78.8154.3174.4-70.2-109.3000112.2
13Q37.1Very low36.9Very low172 Ų172152.2 Ų152.280%0.80481%0.805SS**  trans-169.7158.7139.5-103.2174.3-88.100108.3
14D31.6Very low36.7Very low134 Ų134147.1 Ų147.172%0.71780%0.797SS**  cis-140.5155.619.7-124.9-31.9000115
15Y30.6Very low36.3Very low226 Ų226146 Ų14689%0.88680%0.797SS**  trans-108.6116.3172.2-139-89.5000107.8
16A34.9Very low35.8Very low110 Ų110148.2 Ų148.291%0.90981%0.805SS**  trans-101.398.1175.200000110.7
17G33.5Very low36Very low71 Ų71148.9 Ų148.973%0.73280%0.803SS**  trans-112.5145168.900000111.6
18A35.5Very low35.4Very low106 Ų106150.9 Ų150.988%0.87681%0.809SS**  trans-145.4117.117000000112.6
19R35.2Very low35.3Very low227 Ų227156 Ų15686%0.85781%0.814SS**  trans-60.9151.3168-81.4172.4163.2154.4-5.6112.3
20N30.7Very low34.9Very low137 Ų137160.1 Ų160.173%0.73382%0.821SS**  180121.798.4-97.7-36.2000116.7
21N32.9Very low34.8Very low131 Ų131155 Ų15570%0.70181%0.808SS**  trans31.5128.5131.2-79.9-36.3000124.4
22R32.7Very low35.3Very low224 Ų224159.6 Ų159.685%0.84581%0.813SS**  96.6112.3127-81.2-178-178-172.60.7122.4
23H32.4Very low35.6Very low194 Ų194156.5 Ų156.590%0.89881%0.813SS**  85.2130128.2-123.969.2000121.4
24G34.2Very low35.8Very low62 Ų62152.6 Ų152.664%0.63981%0.81SS**  trans138.687.8151.100000120.8
25N31Very low36.5Very low147 Ų147152.1 Ų152.179%0.78681%0.814SS**  trans65.6107136.2-56.8-15.2000125
26N39.2Very low37.4Very low139 Ų139144.6 Ų144.674%0.74380%0.795SS**  59.4128.4118.4-73.8-32.7000127
27L47.8Very low38.4Very low155 Ų155144 Ų14481%0.81278%0.782SS**  trans60.2133.1148.8-80.386.4000120.5
28R30.8Very low39.6Very low244 Ų244147.1 Ų147.192%0.92178%0.78SS**  -171.9164.660.4-165.3173.4-178.1-172.51113.3
29K43.9Very low40.7Very low203 Ų203151.4 Ų151.488%0.88377%0.774SS**  trans-67150.3-171.4-69178.3171.9179.10119.7
30K29Very low42.2Very low217 Ų217150 Ų15094%0.94377%0.769SS**  trans-168.1171.4134.9-106.2176.6-177.6-176.90110.2
31G36.1Very low44.1Very low61 Ų61150.2 Ų150.263%0.62977%0.765SS**  cis-168.4-1100000122.2
32H42.1Very low46.2Very low192 Ų192146.5 Ų146.589%0.88975%0.752SS**  trans71.4158.5178.4-76.139.1000115.7
33P45.5Very low48.5Very low135 Ų135138 Ų13888%0.87773%0.73SS**  cis-135-17043.340.2-19000118.1
34A43.2Very low50.8Low90 Ų90133.6 Ų133.674%0.74471%0.713SS**  trans-112.2163.9-16000000115.8
35P44.9Very low53.2Low123 Ų123132.3 Ų132.380%0.79970%0.7SS**  trans-90.5162.7-178.836.1-35.5000114.9
36S49Very low55.8Low69 Ų69131 Ų13148%0.48369%0.692SS.*  trans-89.4165.7-171.765.10000115.1I38S36-I38 PolarHBondContact O-N 3.06Å
37P56.9Low58.1Low98 Ų98129.5 Ų129.564%0.63668%0.684SS**THydrogen-bonded Turntrans-68.7-29.3-164.8-21.933.9000116W39 R40P37-W39 VanDerWaalsContact C-N 3.31Å; P37-W39 PolarHBondContact O-N 3.36Å; P37-R40 PolarHBondContact O-N 3.2Å
38I59.1Low60Low135 Ų135126.1 Ų126.169%0.69267%0.669SS**Hα-helixtrans-66.7-34-171.2-61.3170.2000111.4S36 R40 H41 A42S36-I38 PolarHBondContact O-N 3.06Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.28Å; I38-H41 PolarHBondContact O-N 3.41Å; I38-A42 PolarHBondContact O-N 3.34Å
39W58.2Low62.8Low196 Ų196119.5 Ų119.574%0.74265%0.652SS**Hα-helixtrans-60.5-31.8176.7-87.385.4000113.3P37 A43P37-W39 VanDerWaalsContact C-N 3.31Å; P37-W39 PolarHBondContact O-N 3.36Å; W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 2.94Å
40R66.8Low65Low198 Ų198112.8 Ų112.875%0.74763%0.63SS**Hα-helixtrans-66.2-43.2176.6-78.8-177.4156.5-157.9-6.3111.9P37 I38 L44P37-R40 PolarHBondContact O-N 3.2Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.28Å; R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 WeakPolarHBondContact O-CD1 3.5Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.17Å; R40-L44 PolarHBondContact O-N 3.21Å
41H71.3Confident67.9Low142 Ų142107.3 Ų107.366%0.65761%0.61SS**Hα-helixtrans-72.4-38.5179.4-67.7-74.8000112.3I38 L44 G45I38-H41 PolarHBondContact O-N 3.41Å; H41-L44 PolarHBondContact O-N 2.93Å; H41-G45 PolarHBondContact O-N 2.96Å
42A76.8Confident70.5Confident52 Ų52110.8 Ų110.843%0.4361%0.611SS.*Hα-helixtrans-63.6-44.1173.300000112.1I38 G45 L46I38-A42 PolarHBondContact O-N 3.34Å; A42-G45 PolarHBondContact O-N 3.38Å; A42-L46 WeakPolarHBondContact O-CB 3.49Å; A42-L46 PolarHBondContact O-N 2.96Å
43A79.7Confident72.9Confident47 Ų47106.7 Ų106.739%0.38860%0.596SS.*Hα-helixtrans-65.3-38176.100000112.6W39 L46 L47W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 2.94Å; A43-L46 PolarHBondContact O-N 3.43Å; A43-L47 WeakPolarHBondContact O-CB 3.38Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; A43-L47 PolarHBondContact O-N 3.32Å
44L80.8Confident75.1Confident100 Ų100104.7 Ų104.752%0.52458%0.577SS.*Hα-helixtrans-62.8-44.6172.4-80.1163.6000111.8R40 H41 L47 T48R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 WeakPolarHBondContact O-CD1 3.5Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.17Å; R40-L44 PolarHBondContact O-N 3.21Å; H41-L44 PolarHBondContact O-N 2.93Å; L44-L47 PolarHBondContact O-N 2.93Å; L44-T48 WeakPolarHBondContact O-CG2 3.32Å; L44-T48 PolarHBondContact O-N 2.97Å; L44-T48 PolarHBondContact O-OG1 3.37Å
45G85.3Confident77.4Confident36 Ų36105.1 Ų105.137%0.37157%0.566SS.*Hα-helixtrans-64.5-40.1176.300000113.4H41 A42 T48 L49H41-G45 PolarHBondContact O-N 2.96Å; A42-G45 PolarHBondContact O-N 3.38Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-T48 PolarHBondContact O-OG1 3.37Å; G45-L49 WeakPolarHBondContact O-CB 3.34Å; G45-L49 PolarHBondContact O-N 2.92Å
46L85.1Confident79.7Confident120 Ų120101 Ų10163%0.62855%0.545SS*.Hα-helixtrans-64.5-39.1172.9-81.9160.6000112.1A42 A43 C50A42-L46 WeakPolarHBondContact O-CB 3.49Å; A42-L46 PolarHBondContact O-N 2.96Å; A43-L46 PolarHBondContact O-N 3.43Å; L46-C50 WeakPolarHBondContact O-CB 3.28Å; L46-C50 PolarHBondContact O-N 3.33Å
47L87.4Confident81.7Confident107 Ų107103.3 Ų103.356%0.5655%0.552SS**Hα-helixtrans-64.4-45174-88.1164.6000112A43 L44 C50 L51A43-L47 WeakPolarHBondContact O-CB 3.38Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; A43-L47 PolarHBondContact O-N 3.32Å; L44-L47 PolarHBondContact O-N 2.93Å; L47-C50 PolarHBondContact O-N 2.91Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.21Å; L47-L51 PolarHBondContact O-N 3.5Å
48T87.7Confident83.5Confident84 Ų84103.3 Ų103.352%0.51555%0.55SS..Hα-helixtrans-65.8-40.7177.555.40000111.7L44 G45 L51 M52L44-T48 WeakPolarHBondContact O-CG2 3.32Å; L44-T48 PolarHBondContact O-N 2.97Å; L44-T48 PolarHBondContact O-OG1 3.37Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-T48 PolarHBondContact O-OG1 3.37Å; T48-L51 PolarHBondContact O-N 2.92Å; T48-M52 VanDerWaalsContact O-CG 3.32Å; T48-M52 WeakPolarHBondContact O-CG 3.47Å; T48-M52 PolarHBondContact O-N 2.97Å
49L89.5Confident85.1Confident105 Ų105101 Ų10155%0.5554%0.542SS..Hα-helixtrans-64.2-40.9175.1-175.2137.4000112.1G45 M52 L53G45-L49 WeakPolarHBondContact O-CB 3.34Å; G45-L49 PolarHBondContact O-N 2.92Å; L49-M52 PolarHBondContact O-N 2.88Å; L49-L53 HydrophobicContact CD2-CD1 3.69Å; L49-L53 HydrophobicContact CD2-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CG 3.37Å; L49-L53 PolarHBondContact O-N 2.94Å
50C90.5Very high86.7Confident62 Ų6296.9 Ų96.942%0.41953%0.534SS..Hα-helixtrans-61.8-45173.7-172.60000111.7L46 L47 M52 L53 L54L46-C50 WeakPolarHBondContact O-CB 3.28Å; L46-C50 PolarHBondContact O-N 3.33Å; L47-C50 PolarHBondContact O-N 2.91Å; C50-M52 PolarHBondContact O-N 2.97Å; C50-L53 PolarHBondContact O-N 2.9Å; C50-L54 WeakPolarHBondContact O-CB 3.31Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.47Å; C50-L54 PolarHBondContact O-N 3.48Å
51L90.6Very high87.9Confident102 Ų10289 Ų8953%0.53451%0.514SS..Hα-helixtrans-61.5-42.6175.8-72.5167000112.1L47 T48 L54 I55L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.21Å; L47-L51 PolarHBondContact O-N 3.5Å; T48-L51 PolarHBondContact O-N 2.92Å; L51-L54 PolarHBondContact O-N 2.94Å; L51-I55 WeakPolarHBondContact O-CD1 3.32Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.29Å
52M90.9Very high88.8Confident133 Ų13387.4 Ų87.466%0.65551%0.508SS*.Hα-helixtrans-64.4-39.8176.2-69.5-59.5-64.400112.4T48 L49 C50 I55 G56T48-M52 VanDerWaalsContact O-CG 3.32Å; T48-M52 WeakPolarHBondContact O-CG 3.47Å; T48-M52 PolarHBondContact O-N 2.97Å; L49-M52 PolarHBondContact O-N 2.88Å; C50-M52 PolarHBondContact O-N 2.97Å; M52-I55 PolarHBondContact O-N 3.49Å; M52-G56 PolarHBondContact O-N 3.33Å
53L92.3Very high89.5Confident106 Ų10690.5 Ų90.556%0.55552%0.515SS*.Hα-helixtrans-65.1-42.1174-73.4171.7000112.1L49 C50 G56 L57L49-L53 HydrophobicContact CD2-CD1 3.69Å; L49-L53 HydrophobicContact CD2-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CG 3.37Å; L49-L53 PolarHBondContact O-N 2.94Å; C50-L53 PolarHBondContact O-N 2.9Å; L53-G56 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 3.48Å
54L92Very high90.1Very high94 Ų9494.9 Ų94.949%0.49253%0.526SS..Hα-helixtrans-62.7-44.1176.2-72.9169.5000111.7C50 L51 G56 L57 V58C50-L54 WeakPolarHBondContact O-CB 3.31Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.47Å; C50-L54 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 2.94Å; L54-G56 VanDerWaalsContact C-N 3.33Å; L54-G56 PolarHBondContact O-N 2.97Å; L54-L57 PolarHBondContact O-N 2.96Å; L54-V58 WeakPolarHBondContact O-CG2 3.5Å; L54-V58 PolarHBondContact O-N 3.27Å
55I91.3Very high90.5Very high99 Ų9995 Ų9551%0.50853%0.526SS..Hα-helixtrans-60.2-45.1174.4-67.6162.2000110.3L51 M52 L57 V58 T59L51-I55 WeakPolarHBondContact O-CD1 3.32Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.29Å; M52-I55 PolarHBondContact O-N 3.49Å; I55-L57 PolarHBondContact O-N 2.92Å; I55-V58 PolarHBondContact O-N 3.49Å; I55-T59 WeakPolarHBondContact O-CG2 3.29Å; I55-T59 PolarHBondContact O-N 3.27Å; I55-T59 PolarHBondContact O-OG1 2.89Å
56G92.4Very high90.7Very high35 Ų3598.8 Ų98.836%0.36153%0.534SS..Hα-helixtrans-60.8-42.1176.500000113.7M52 L53 L54 T59 L60M52-G56 PolarHBondContact O-N 3.33Å; L53-G56 PolarHBondContact O-N 3.33Å; L54-G56 VanDerWaalsContact C-N 3.33Å; L54-G56 PolarHBondContact O-N 2.97Å; G56-T59 PolarHBondContact O-N 2.93Å; G56-T59 PolarHBondContact O-OG1 2.9Å; G56-L60 VanDerWaalsContact O-CB 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.36Å; G56-L60 PolarHBondContact O-N 3.28Å
57L92.3Very high90.8Very high119 Ų11997.6 Ų97.662%0.62353%0.528SS*.Hα-helixtrans-65.9-39175.5-71.7170.8000112.1L53 L54 I55 G61L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 2.96Å; I55-L57 PolarHBondContact O-N 2.92Å; L57-G61 PolarHBondContact O-N 3.39Å
58V93.8Very high90.8Very high97 Ų9795.3 Ų95.359%0.58852%0.521SS*.Hα-helixtrans-66.2-44.5176.2169.80000111.2L54 I55 G61 M62L54-V58 WeakPolarHBondContact O-CG2 3.5Å; L54-V58 PolarHBondContact O-N 3.27Å; I55-V58 PolarHBondContact O-N 3.49Å; V58-G61 PolarHBondContact O-N 2.93Å; V58-M62 WeakPolarHBondContact O-CB 3.5Å; V58-M62 WeakPolarHBondContact O-CG 3.36Å; V58-M62 PolarHBondContact O-N 3.01Å
59T91.8Very high90.8Very high87 Ų8796.5 Ų96.553%0.53452%0.524SS..Hα-helixtrans-66.3-40.6177.555.70000111.9I55 G56 M62 M63I55-T59 WeakPolarHBondContact O-CG2 3.29Å; I55-T59 PolarHBondContact O-N 3.27Å; I55-T59 PolarHBondContact O-OG1 2.89Å; G56-T59 PolarHBondContact O-N 2.93Å; G56-T59 PolarHBondContact O-OG1 2.9Å; T59-M62 PolarHBondContact O-N 3.41Å; T59-M63 WeakPolarHBondContact O-CB 3.35Å; T59-M63 PolarHBondContact O-N 3.49Å
60L92.3Very high90.8Very high110 Ų11095.9 Ų95.958%0.57652%0.521SS*.Hα-helixtrans-63.9-41.3175.6-162.4108.3000111.9G56 M63 F64G56-L60 VanDerWaalsContact O-CB 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.36Å; G56-L60 PolarHBondContact O-N 3.28Å; L60-M63 PolarHBondContact O-N 2.91Å; L60-F64 WeakPolarHBondContact O-CB 3.46Å; L60-F64 PolarHBondContact O-N 2.93Å
61G92.6Very high90.6Very high32 Ų3298.3 Ų98.333%0.3353%0.529SS..Hα-helixtrans-63.9-44.8175.100000112.7L57 V58 M63 F64 L65L57-G61 PolarHBondContact O-N 3.39Å; V58-G61 PolarHBondContact O-N 2.93Å; G61-M63 PolarHBondContact O-N 3.27Å; G61-F64 PolarHBondContact O-N 2.94Å; G61-L65 WeakPolarHBondContact O-CG 3.34Å; G61-L65 PolarHBondContact O-N 2.97Å
62M89.9Confident90.6Very high108 Ų10898.8 Ų98.853%0.53253%0.532SS..Hα-helixtrans-62.4-42.2174.9-72.7-62.2-65.300112V58 T59 F64 L65 Q66V58-M62 WeakPolarHBondContact O-CB 3.5Å; V58-M62 WeakPolarHBondContact O-CG 3.36Å; V58-M62 PolarHBondContact O-N 3.01Å; T59-M62 PolarHBondContact O-N 3.41Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F64 PolarHBondContact O-N 3.44Å; M62-L65 PolarHBondContact O-N 3.5Å; M62-Q66 WeakPolarHBondContact O-CG 3.44Å; M62-Q66 PolarHBondContact O-N 3.43Å
63M92.2Very high90.6Very high117 Ų11794.8 Ų94.858%0.57652%0.517SS*.Hα-helixtrans-64.2-37.5176.1-169.9-179.173.700112T59 L60 G61 Q66 I67T59-M63 WeakPolarHBondContact O-CB 3.35Å; T59-M63 PolarHBondContact O-N 3.49Å; L60-M63 PolarHBondContact O-N 2.91Å; G61-M63 PolarHBondContact O-N 3.27Å; M63-Q66 PolarHBondContact O-N 3.48Å; M63-I67 PolarHBondContact O-N 3.28Å
64F91.2Very high90.5Very high140 Ų14094 Ų9461%0.61451%0.513SS*.Hα-helixtrans-68.3-37174.3-175.7-94.7000112.7L60 G61 M62 I67 S68L60-F64 WeakPolarHBondContact O-CB 3.46Å; L60-F64 PolarHBondContact O-N 2.93Å; G61-F64 PolarHBondContact O-N 2.94Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F64 PolarHBondContact O-N 3.44Å; F64-I67 HydrophobicContact CD2-CG2 4.5Å; F64-I67 WeakPolarHBondContact O-CG2 3.47Å; F64-S68 VanDerWaalsContact O-CB 3.32Å; F64-S68 WeakPolarHBondContact O-CB 3.39Å; F64-S68 PolarHBondContact O-N 3.1Å; F64-S68 VanDerWaalsContact O-N 3.1Å
65L88.8Confident90.4Very high102 Ų10293 Ų9353%0.53452%0.515SS..Hα-helixtrans-69.2-37.2174.1-69172.8000111.9G61 M62 N69G61-L65 WeakPolarHBondContact O-CG 3.34Å; G61-L65 PolarHBondContact O-N 2.97Å; M62-L65 PolarHBondContact O-N 3.5Å; L65-N69 WeakPolarHBondContact O-CB 3.32Å; L65-N69 VanDerWaalsContact O-CG 3.27Å; L65-N69 PolarHBondContact O-N 2.91Å; L65-N69 VanDerWaalsContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.11Å
66Q90.7Very high90.5Very high115 Ų11593.8 Ų93.854%0.53752%0.516SS..Hα-helixtrans-61.6-55172.9-75.3172.6-36.600111.3M62 M63 S68 N69 D70M62-Q66 WeakPolarHBondContact O-CG 3.44Å; M62-Q66 PolarHBondContact O-N 3.43Å; M63-Q66 PolarHBondContact O-N 3.48Å; Q66-S68 VanDerWaalsContact C-N 3.27Å; Q66-S68 PolarHBondContact O-N 3.25Å; Q66-N69 PolarHBondContact O-N 3.11Å; Q66-N69 VanDerWaalsContact O-N 3.11Å; Q66-D70 PolarHBondContact O-N 3.33Å
67I87.2Confident90.6Very high95 Ų9597.3 Ų97.349%0.48752%0.521SS..Hα-helixtrans-60.5-36.9-178.6-155.984.6000111.9M63 F64 D70 I71M63-I67 PolarHBondContact O-N 3.28Å; F64-I67 HydrophobicContact CD2-CG2 4.5Å; F64-I67 WeakPolarHBondContact O-CG2 3.47Å; I67-D70 PolarHBondContact O-N 3.33Å; I67-I71 HydrophobicContact CG1-CD1 4.01Å; I67-I71 WeakPolarHBondContact O-CB 3.46Å; I67-I71 WeakPolarHBondContact O-CD1 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.18Å; I67-I71 PolarHBondContact O-N 3.19Å
68S86.9Confident90.6Very high59 Ų5996.8 Ų96.841%0.41352%0.519SS..Hα-helixtrans-65.6-41.5177-170.40000112.4F64 Q66 N72F64-S68 VanDerWaalsContact O-CB 3.32Å; F64-S68 WeakPolarHBondContact O-CB 3.39Å; F64-S68 PolarHBondContact O-N 3.1Å; F64-S68 VanDerWaalsContact O-N 3.1Å; Q66-S68 VanDerWaalsContact C-N 3.27Å; Q66-S68 PolarHBondContact O-N 3.25Å; S68-N72 WeakPolarHBondContact O-CB 3.36Å; S68-N72 PolarHBondContact O-N 2.95Å; S68-N72 VanDerWaalsContact O-N 3.1Å
69N87.8Confident90.6Very high109 Ų10994.4 Ų94.458%0.58351%0.506SS*.Hα-helixtrans-69.1-41176.7-73.5-19.3000112L65 Q66 N72 S73L65-N69 WeakPolarHBondContact O-CB 3.32Å; L65-N69 VanDerWaalsContact O-CG 3.27Å; L65-N69 PolarHBondContact O-N 2.91Å; L65-N69 VanDerWaalsContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.11Å; Q66-N69 PolarHBondContact O-N 3.11Å; Q66-N69 VanDerWaalsContact O-N 3.11Å; N69-N72 PolarHBondContact O-N 3.49Å; N69-S73 WeakPolarHBondContact O-CB 3.16Å; N69-S73 PolarHBondContact O-N 2.92Å
70D89.1Confident90.7Very high93 Ų9395.2 Ų95.250%0.49750%0.504SS..Hα-helixtrans-64.2-45.5177.4-70.1-24.9000111.1Q66 I67 N72 S73 D74Q66-D70 PolarHBondContact O-N 3.33Å; I67-D70 PolarHBondContact O-N 3.33Å; D70-N72 VanDerWaalsContact C-N 3.32Å; D70-N72 PolarHBondContact O-N 3.1Å; D70-S73 WeakPolarHBondContact O-CB 3.36Å; D70-S73 PolarHBondContact O-N 2.67Å; D70-S73 VanDerWaalsContact O-N 3.17Å; D70-D74 WeakPolarHBondContact O-CB 3.46Å; D70-D74 PolarHBondContact O-N 3.38Å
71I87.6Confident90.8Very high112 Ų11294.7 Ų94.757%0.57450%0.501SS*.Hα-helixtrans-58.5-42.4174.6-71.6164.9000111.4I67 D74 S75I67-I71 HydrophobicContact CG1-CD1 4.01Å; I67-I71 WeakPolarHBondContact O-CB 3.46Å; I67-I71 WeakPolarHBondContact O-CD1 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.18Å; I67-I71 PolarHBondContact O-N 3.19Å; I71-D74 PolarHBondContact O-N 3.17Å; I71-S75 VanDerWaalsContact O-CB 3.31Å; I71-S75 WeakPolarHBondContact O-CB 3.31Å; I71-S75 PolarHBondContact O-N 3.05Å
72N89.9Confident90.9Very high113 Ų11398.3 Ų98.360%0.60451%0.509SS*.Hα-helixtrans-66.6-40177.5-169.456.2000111.8S68 N69 D70 E76S68-N72 WeakPolarHBondContact O-CB 3.36Å; S68-N72 PolarHBondContact O-N 2.95Å; S68-N72 VanDerWaalsContact O-N 3.1Å; N69-N72 PolarHBondContact O-N 3.49Å; D70-N72 VanDerWaalsContact C-N 3.32Å; D70-N72 PolarHBondContact O-N 3.1Å; N72-E76 PolarHBondContact O-N 2.95Å
73S90.4Very high91.2Very high48 Ų4899.7 Ų99.734%0.33651%0.512SS..Hα-helixtrans-64.1-43.6175.2-1720000112.3N69 D70 E76 K77N69-S73 WeakPolarHBondContact O-CB 3.16Å; N69-S73 PolarHBondContact O-N 2.92Å; D70-S73 WeakPolarHBondContact O-CB 3.36Å; D70-S73 PolarHBondContact O-N 2.67Å; D70-S73 VanDerWaalsContact O-N 3.17Å; S73-E76 PolarHBondContact O-N 2.85Å; S73-K77 WeakPolarHBondContact O-CG 3.43Å; S73-K77 PolarHBondContact O-N 3.49Å; S73-K77 WeakPolarHBondContact OG-CE 3.49Å; S73-K77 PolarHBondContact OG-NZ 3.49Å
74D90.4Very high91.3Very high89 Ų8997.7 Ų97.748%0.47651%0.507SS..Hα-helixtrans-72.4-33.1-179.6-74.7-13000112.4D70 I71 E76 K77 L78D70-D74 WeakPolarHBondContact O-CB 3.46Å; D70-D74 PolarHBondContact O-N 3.38Å; I71-D74 PolarHBondContact O-N 3.17Å; D74-E76 VanDerWaalsContact C-N 3.34Å; D74-K77 PolarHBondContact O-N 2.85Å; D74-K77 IonicContact OD1-NZ 2.67Å; D74-K77 PolarHBondContact OD1-NZ 3.4Å; D74-L78 VanDerWaalsContact O-CB 3.3Å; D74-L78 WeakPolarHBondContact O-CB 3.39Å; D74-L78 PolarHBondContact O-N 2.99Å
75S90.4Very high91.5Very high75 Ų7595.6 Ų95.652%0.52450%0.501SS..Hα-helixtrans-57.9-45.3168.6-176.70000111.7I71 L78 S79I71-S75 VanDerWaalsContact O-CB 3.31Å; I71-S75 WeakPolarHBondContact O-CB 3.31Å; I71-S75 PolarHBondContact O-N 3.05Å; S75-L78 PolarHBondContact O-N 2.72Å; S75-S79 PolarHBondContact O-N 3.43Å
76E92.6Very high91.8Very high115 Ų11595.6 Ų95.654%0.53750%0.498SS..Hα-helixtrans-63.7-48.4176.8-167.8-176.9169.500111.6N72 S73 D74 L78 S79 Q80N72-E76 PolarHBondContact O-N 2.95Å; S73-E76 PolarHBondContact O-N 2.85Å; D74-E76 VanDerWaalsContact C-N 3.34Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.12Å; E76-S79 WeakPolarHBondContact O-CB 3.36Å; E76-S79 PolarHBondContact O-N 3.31Å; E76-S79 VanDerWaalsContact O-N 3.12Å; E76-S79 PolarHBondContact O-OG 3.18Å; E76-Q80 WeakPolarHBondContact O-CG 3.3Å; E76-Q80 PolarHBondContact O-N 3.38Å; E76-Q80 PolarHBondContact OE1-NE2 3.36Å
77K94.2Very high92Very high108 Ų10896.9 Ų96.947%0.4750%0.504SS..Hα-helixtrans-57.7-42.1176.2-67.7168.3-152.2152.30112S73 D74 S79 Q80 L81S73-K77 WeakPolarHBondContact O-CG 3.43Å; S73-K77 PolarHBondContact O-N 3.49Å; S73-K77 WeakPolarHBondContact OG-CE 3.49Å; S73-K77 PolarHBondContact OG-NZ 3.49Å; D74-K77 PolarHBondContact O-N 2.85Å; D74-K77 IonicContact OD1-NZ 2.67Å; D74-K77 PolarHBondContact OD1-NZ 3.4Å; K77-S79 VanDerWaalsContact C-N 3.33Å; K77-S79 PolarHBondContact O-N 3.4Å; K77-Q80 PolarHBondContact O-N 2.84Å; K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 PolarHBondContact O-N 3.23Å
78L93.8Very high92.3Very high109 Ų109101.4 Ų101.457%0.57152%0.515SS*.Hα-helixtrans-64.1-39.8177.5-174.263.4000111.1D74 S75 E76 Q80 L81 Q82D74-L78 VanDerWaalsContact O-CB 3.3Å; D74-L78 WeakPolarHBondContact O-CB 3.39Å; D74-L78 PolarHBondContact O-N 2.99Å; S75-L78 PolarHBondContact O-N 2.72Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.12Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 2.88Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-Q82 WeakPolarHBondContact O-CB 3.36Å; L78-Q82 PolarHBondContact O-N 3.11Å
79S92.5Very high92.7Very high46 Ų46104 Ų10432%0.32252%0.521SS..Hα-helixtrans-63.6-37.8174.288.10000112.5S75 E76 K77 K83S75-S79 PolarHBondContact O-N 3.43Å; E76-S79 WeakPolarHBondContact O-CB 3.36Å; E76-S79 PolarHBondContact O-N 3.31Å; E76-S79 VanDerWaalsContact O-N 3.12Å; E76-S79 PolarHBondContact O-OG 3.18Å; K77-S79 VanDerWaalsContact C-N 3.33Å; K77-S79 PolarHBondContact O-N 3.4Å; S79-K83 WeakPolarHBondContact O-CD 3.28Å; S79-K83 VanDerWaalsContact O-CG 3.26Å; S79-K83 WeakPolarHBondContact O-CG 3.4Å; S79-K83 PolarHBondContact O-N 3.44Å; S79-K83 VanDerWaalsContact O-N 3.11Å
80Q94.3Very high93Very high105 Ų105103.7 Ų103.749%0.49152%0.519SS..Hα-helixtrans-69-45175.6-67.6-177.71100110.8E76 K77 L78 Q82 K83 T84E76-Q80 WeakPolarHBondContact O-CG 3.3Å; E76-Q80 PolarHBondContact O-N 3.38Å; E76-Q80 PolarHBondContact OE1-NE2 3.36Å; K77-Q80 PolarHBondContact O-N 2.84Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 2.88Å; Q80-Q82 PolarHBondContact O-N 3.01Å; Q80-K83 WeakPolarHBondContact O-CB 3.45Å; Q80-K83 PolarHBondContact O-N 2.85Å; Q80-T84 PolarHBondContact O-N 3.22Å; Q80-T84 PolarHBondContact O-OG1 3.42Å
81L94.1Very high93.1Very high99 Ų99103.5 Ų103.552%0.51852%0.518SS..Hα-helixtrans-60.3-43.6176.9-17465.9000111.5K77 L78 T84 I85K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 PolarHBondContact O-N 3.23Å; L78-L81 PolarHBondContact O-N 2.91Å; L81-T84 WeakPolarHBondContact O-CB 3.3Å; L81-T84 PolarHBondContact O-N 3.23Å; L81-I85 HydrophobicContact CG-CD1 4.02Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 3.47Å
82Q95.8Very high93.4Very high107 Ų107102.8 Ų102.850%0.552%0.515SS..Hα-helixtrans-63.9-41.2176.5-175.1171.2-19.300112.1L78 Q80 T84 I85 H86L78-Q82 WeakPolarHBondContact O-CB 3.36Å; L78-Q82 PolarHBondContact O-N 3.11Å; Q80-Q82 PolarHBondContact O-N 3.01Å; Q82-T84 VanDerWaalsContact C-N 3.35Å; Q82-T84 PolarHBondContact O-N 2.99Å; Q82-I85 PolarHBondContact O-N 3.26Å; Q82-H86 PolarHBondContact O-N 3.49Å
83K95.8Very high93.4Very high137 Ų137100.7 Ų100.760%0.59651%0.509SS*.Hα-helixtrans-59-45171.6-72.3163.8-176.6167.60111.4S79 Q80 I85 H86 Q87S79-K83 WeakPolarHBondContact O-CD 3.28Å; S79-K83 VanDerWaalsContact O-CG 3.26Å; S79-K83 WeakPolarHBondContact O-CG 3.4Å; S79-K83 PolarHBondContact O-N 3.44Å; S79-K83 VanDerWaalsContact O-N 3.11Å; Q80-K83 WeakPolarHBondContact O-CB 3.45Å; Q80-K83 PolarHBondContact O-N 2.85Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 3.47Å; K83-H86 PolarHBondContact O-N 2.93Å; K83-Q87 WeakPolarHBondContact O-CB 3.27Å; K83-Q87 PolarHBondContact O-N 3.01Å
84T93.5Very high93.4Very high76 Ų76104.4 Ų104.447%0.46652%0.521SS..Hα-helixtrans-62.9-38.3176.5-54.20000112.4Q80 L81 Q82 R88Q80-T84 PolarHBondContact O-N 3.22Å; Q80-T84 PolarHBondContact O-OG1 3.42Å; L81-T84 WeakPolarHBondContact O-CB 3.3Å; L81-T84 PolarHBondContact O-N 3.23Å; Q82-T84 VanDerWaalsContact C-N 3.35Å; Q82-T84 PolarHBondContact O-N 2.99Å; T84-R88 VanDerWaalsContact O-CB 3.3Å; T84-R88 WeakPolarHBondContact O-CB 3.47Å; T84-R88 PolarHBondContact O-N 2.93Å
85I95.3Very high93.4Very high95 Ų95105.5 Ų105.549%0.48752%0.523SS..Hα-helixtrans-66.6-48.4176.6-71164.6000110.8L81 Q82 K83 R88 Q89L81-I85 HydrophobicContact CG-CD1 4.02Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 3.47Å; Q82-I85 PolarHBondContact O-N 3.26Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 3.47Å; I85-R88 PolarHBondContact O-N 2.96Å; I85-Q89 WeakPolarHBondContact O-CB 3.42Å; I85-Q89 PolarHBondContact O-N 3.06Å
86H94.6Very high93.2Very high103 Ų103107 Ų10748%0.47753%0.525SS..Hα-helixtrans-61-47.9176.6-71.6-12.7000111.6Q82 K83 R88 Q89 D90Q82-H86 PolarHBondContact O-N 3.49Å; K83-H86 PolarHBondContact O-N 2.93Å; H86-R88 VanDerWaalsContact C-N 3.27Å; H86-R88 PolarHBondContact O-N 3.25Å; H86-Q89 WeakPolarHBondContact O-CA 3.41Å; H86-Q89 WeakPolarHBondContact O-CB 3.49Å; H86-Q89 PolarHBondContact O-N 2.84Å; H86-D90 VanDerWaalsContact O-CG 3.31Å; H86-D90 PolarHBondContact O-N 3.02Å
87Q95.2Very high92.8Very high142 Ų142102.8 Ų102.866%0.66451%0.513SS*.Hα-helixtrans-58.3-38.2176.4-174.7-178.21.100112.6K83 N91K83-Q87 WeakPolarHBondContact O-CB 3.27Å; K83-Q87 PolarHBondContact O-N 3.01Å; Q87-N91 WeakPolarHBondContact O-CB 3.35Å; Q87-N91 PolarHBondContact O-N 2.89Å
88R95.1Very high92.3Very high189 Ų189102.7 Ų102.771%0.71352%0.517SS*.Hα-helixtrans-68.8-38.7175-177.7176.8-71.4-111.61.1111.9T84 I85 H86 L92T84-R88 VanDerWaalsContact O-CB 3.3Å; T84-R88 WeakPolarHBondContact O-CB 3.47Å; T84-R88 PolarHBondContact O-N 2.93Å; I85-R88 PolarHBondContact O-N 2.96Å; H86-R88 VanDerWaalsContact C-N 3.27Å; H86-R88 PolarHBondContact O-N 3.25Å; R88-L92 VanDerWaalsContact O-CB 3.27Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 PolarHBondContact O-N 3.26Å
89Q94.1Very high91.8Very high115 Ų115100.9 Ų100.954%0.53751%0.514SS..Hα-helixtrans-66.2-41.7176.8-172.266.213.900111.6I85 H86 L92 S93I85-Q89 WeakPolarHBondContact O-CB 3.42Å; I85-Q89 PolarHBondContact O-N 3.06Å; H86-Q89 WeakPolarHBondContact O-CA 3.41Å; H86-Q89 WeakPolarHBondContact O-CB 3.49Å; H86-Q89 PolarHBondContact O-N 2.84Å; Q89-L92 PolarHBondContact O-N 2.92Å; Q89-S93 WeakPolarHBondContact O-CB 3.48Å; Q89-S93 PolarHBondContact O-N 2.9Å; Q89-S93 PolarHBondContact O-OG 3.41Å
90D93.9Very high91.3Very high102 Ų102102.6 Ų102.655%0.54552%0.519SS..Hα-helixtrans-66.9-46.1178.2-65.2-25.7000110.8H86 L92 S93 Q94H86-D90 VanDerWaalsContact O-CG 3.31Å; H86-D90 PolarHBondContact O-N 3.02Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-L92 PolarHBondContact O-N 3.36Å; D90-S93 PolarHBondContact O-N 3.47Å; D90-S93 PolarHBondContact O-OG 2.91Å; D90-Q94 WeakPolarHBondContact O-CB 3.36Å; D90-Q94 PolarHBondContact O-N 3.11Å
91N92.5Very high90.7Very high89 Ų89102.3 Ų102.348%0.47652%0.521SS..Hα-helixtrans-60.2-40.7174.1-171.327.9000111.9Q87 Q94 Q95Q87-N91 WeakPolarHBondContact O-CB 3.35Å; Q87-N91 PolarHBondContact O-N 2.89Å; N91-Q94 PolarHBondContact O-N 2.86Å; N91-Q95 WeakPolarHBondContact O-CB 3.47Å; N91-Q95 WeakPolarHBondContact O-CG 3.46Å; N91-Q95 PolarHBondContact O-N 3.26Å
92L92.8Very high90.4Very high97 Ų97102.9 Ų102.951%0.50852%0.524SS..Hα-helixtrans-68.1-39177.3-174.964.6000112.4R88 Q89 D90 Q95 L96R88-L92 VanDerWaalsContact O-CB 3.27Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 PolarHBondContact O-N 3.26Å; Q89-L92 PolarHBondContact O-N 2.92Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-L92 PolarHBondContact O-N 3.36Å; L92-Q95 PolarHBondContact O-N 3.35Å; L92-L96 WeakPolarHBondContact O-CB 3.46Å; L92-L96 PolarHBondContact O-N 3.39Å
93S91.2Very high90Very high68 Ų68100.4 Ų100.448%0.47652%0.519SS..Hα-helixtrans-68.2-37.2176.470.60000112Q89 D90 L96 G97Q89-S93 WeakPolarHBondContact O-CB 3.48Å; Q89-S93 PolarHBondContact O-N 2.9Å; Q89-S93 PolarHBondContact O-OG 3.41Å; D90-S93 PolarHBondContact O-N 3.47Å; D90-S93 PolarHBondContact O-OG 2.91Å; S93-L96 PolarHBondContact O-N 3.31Å; S93-G97 PolarHBondContact O-N 2.95Å
94Q89.9Confident89.6Confident126 Ų12699.7 Ų99.759%0.58952%0.519SS*.Hα-helixtrans-64.5-43.3171.3-172.4177.46.400111.9D90 N91 L96 G97 N98D90-Q94 WeakPolarHBondContact O-CB 3.36Å; D90-Q94 PolarHBondContact O-N 3.11Å; N91-Q94 PolarHBondContact O-N 2.86Å; Q94-L96 PolarHBondContact O-N 2.94Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q94-N98 PolarHBondContact O-N 2.94Å; Q94-N98 PolarHBondContact O-OD1 3.33Å
95Q89.4Confident89.6Confident112 Ų112102.2 Ų102.252%0.52353%0.526SS..Hα-helixtrans-60.2-44.3174.2-78.4-174-37.100111.9N91 L92 G97 N98 S99N91-Q95 WeakPolarHBondContact O-CB 3.47Å; N91-Q95 WeakPolarHBondContact O-CG 3.46Å; N91-Q95 PolarHBondContact O-N 3.26Å; L92-Q95 PolarHBondContact O-N 3.35Å; Q95-G97 PolarHBondContact O-N 2.97Å; Q95-N98 PolarHBondContact O-N 3.38Å; Q95-S99 PolarHBondContact O-N 3.5Å; Q95-S99 PolarHBondContact O-OG 3.05Å; Q95-S99 VanDerWaalsContact O-OG 3.11Å
96L87.4Confident89.4Confident107 Ų107102.7 Ų102.756%0.5653%0.525SS*.Hα-helixtrans-63-41.4176.6-171.766.4000111.9L92 S93 Q94 S99 N100L92-L96 WeakPolarHBondContact O-CB 3.46Å; L92-L96 PolarHBondContact O-N 3.39Å; S93-L96 PolarHBondContact O-N 3.31Å; Q94-L96 PolarHBondContact O-N 2.94Å; L96-S99 PolarHBondContact O-N 3.49Å; L96-N100 PolarHBondContact O-N 3.41Å; L96-N100 PolarHBondContact O-ND2 3.33Å
97G82.6Confident89.4Confident27 Ų27103.6 Ų103.628%0.27853%0.53SS..Hα-helixtrans-59.8-46.1174.200000112.8S93 Q94 Q95 N100 N101S93-G97 PolarHBondContact O-N 2.95Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q95-G97 PolarHBondContact O-N 2.97Å; G97-N100 PolarHBondContact O-N 3.47Å; G97-N101 VanDerWaalsContact O-CG 3.3Å; G97-N101 PolarHBondContact O-N 3.1Å; G97-N101 PolarHBondContact O-ND2 2.93Å
98N84.3Confident89.4Confident105 Ų105102.8 Ų102.856%0.56153%0.525SS*.Hα-helixtrans-63.1-41.2175.5-79.125000112.3Q94 Q95 N101 L102Q94-N98 PolarHBondContact O-N 2.94Å; Q94-N98 PolarHBondContact O-OD1 3.33Å; Q95-N98 PolarHBondContact O-N 3.38Å; N98-N101 PolarHBondContact O-N 3.47Å; N98-L102 PolarHBondContact O-N 3.05Å; N98-L102 VanDerWaalsContact O-N 3.1Å
99S83.7Confident89.4Confident72 Ų7298.7 Ų98.750%0.50352%0.516SS..Hα-helixtrans-63.2-41176.1-63.40000112.4Q95 L96 L102 S103Q95-S99 PolarHBondContact O-N 3.5Å; Q95-S99 PolarHBondContact O-OG 3.05Å; Q95-S99 VanDerWaalsContact O-OG 3.11Å; L96-S99 PolarHBondContact O-N 3.49Å; S99-L102 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-N 3.4Å
100N81.9Confident89.5Confident81 Ų8198.8 Ų98.843%0.43352%0.515SS..Hα-helixtrans-64.9-42176.7-68.8-17.1000111.7L96 G97 L102 S103 M104L96-N100 PolarHBondContact O-N 3.41Å; L96-N100 PolarHBondContact O-ND2 3.33Å; G97-N100 PolarHBondContact O-N 3.47Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.03Å; N100-S103 WeakPolarHBondContact O-CB 3.42Å; N100-S103 PolarHBondContact O-N 3.23Å; N100-M104 WeakPolarHBondContact O-CG 3.41Å; N100-M104 PolarHBondContact O-N 3.35Å
101N81.1Confident89.6Confident100 Ų10097.1 Ų97.154%0.53551%0.511SS..Hα-helixtrans-61.9-41.9176.6-69.1-17.4000111.8G97 N98 S103 M104 E105G97-N101 VanDerWaalsContact O-CG 3.3Å; G97-N101 PolarHBondContact O-N 3.1Å; G97-N101 PolarHBondContact O-ND2 2.93Å; N98-N101 PolarHBondContact O-N 3.47Å; N101-S103 VanDerWaalsContact C-N 3.34Å; N101-S103 PolarHBondContact O-N 3.32Å; N101-M104 PolarHBondContact O-N 2.92Å; N101-E105 PolarHBondContact O-N 3.27Å
102L87.4Confident89.8Confident111 Ų11197 Ų9758%0.58151%0.508SS*.Hα-helixtrans-63.8-38.4175.7-175.164.5000112N98 S99 N100 E105 E106N98-L102 PolarHBondContact O-N 3.05Å; N98-L102 VanDerWaalsContact O-N 3.1Å; S99-L102 PolarHBondContact O-N 3.39Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.03Å; L102-E105 PolarHBondContact O-N 2.6Å; L102-E106 PolarHBondContact O-N 3.49Å
103S87.8Confident90Very high55 Ų5596.4 Ų96.439%0.38550%0.504SS..Hα-helixtrans-62.1-41.7173.9-166.60000112.1S99 N100 N101 E106 E107S99-S103 PolarHBondContact O-N 3.4Å; N100-S103 WeakPolarHBondContact O-CB 3.42Å; N100-S103 PolarHBondContact O-N 3.23Å; N101-S103 VanDerWaalsContact C-N 3.34Å; N101-S103 PolarHBondContact O-N 3.32Å; S103-E106 PolarHBondContact O-N 3.46Å; S103-E107 WeakPolarHBondContact O-CG 3.27Å; S103-E107 PolarHBondContact O-N 3.39Å
104M88.7Confident90.3Very high122 Ų12296.4 Ų96.460%0.60150%0.504SS*.Hα-helixtrans-66.3-37.9176.4-66.3177.3-167.400112N100 N101 E107 F108N100-M104 WeakPolarHBondContact O-CG 3.41Å; N100-M104 PolarHBondContact O-N 3.35Å; N101-M104 PolarHBondContact O-N 2.92Å; M104-E107 PolarHBondContact O-N 2.84Å; M104-F108 WeakPolarHBondContact O-CB 3.41Å; M104-F108 PolarHBondContact O-N 3.5Å
105E92.6Very high90.6Very high129 Ų12992.2 Ų92.260%0.60349%0.489SS*.Hα-helixtrans-66.9-39174.9-172.1172.1-170.100111.7N101 L102 F108 L109N101-E105 PolarHBondContact O-N 3.27Å; L102-E105 PolarHBondContact O-N 2.6Å; E105-F108 PolarHBondContact O-N 3.01Å; E105-L109 WeakPolarHBondContact O-CB 3.43Å; E105-L109 PolarHBondContact O-N 2.99Å
106E92.1Very high90.9Very high104 Ų10492 Ų9249%0.48649%0.491SS..Hα-helixtrans-64.2-43.9174.6-169.3-174156.500111.9L102 S103 L109 K110L102-E106 PolarHBondContact O-N 3.49Å; S103-E106 PolarHBondContact O-N 3.46Å; E106-L109 PolarHBondContact O-N 3.37Å; E106-K110 HydrophobicContact CG-CD 4.35Å; E106-K110 WeakPolarHBondContact O-CB 3.37Å; E106-K110 VanDerWaalsContact O-CG 3.27Å; E106-K110 WeakPolarHBondContact O-CG 3.26Å; E106-K110 PolarHBondContact O-N 3.4Å; E106-K110 WeakPolarHBondContact OE1-CE 3.1Å; E106-K110 IonicContact OE1-NZ 3.24Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å
107E93.9Very high91.2Very high123 Ų12391.1 Ų91.158%0.57549%0.486SS*.Hα-helixtrans-62.9-43174.4-75177.8-174.100112.1S103 M104 K110 S111S103-E107 WeakPolarHBondContact O-CG 3.27Å; S103-E107 PolarHBondContact O-N 3.39Å; M104-E107 PolarHBondContact O-N 2.84Å; E107-K110 PolarHBondContact O-N 3.31Å; E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 2.96Å
108F94.9Very high91.8Very high125 Ų12595.8 Ų95.855%0.54850%0.499SS..Hα-helixtrans-61.7-46174.5178.8-103.2000111.6M104 E105 S111 Q112M104-F108 WeakPolarHBondContact O-CB 3.41Å; M104-F108 PolarHBondContact O-N 3.5Å; E105-F108 PolarHBondContact O-N 3.01Å; F108-S111 WeakPolarHBondContact O-CB 3.33Å; F108-S111 PolarHBondContact O-N 2.94Å; F108-Q112 HydrophobicContact CD1-CG 4.12Å; F108-Q112 HydrophobicContact CD2-CG 4.46Å; F108-Q112 HydrophobicContact CE1-CG 3.7Å; F108-Q112 HydrophobicContact CE2-CG 4.07Å; F108-Q112 HydrophobicContact CG-CG 4.48Å; F108-Q112 HydrophobicContact CZ-CG 3.68Å; F108-Q112 VanDerWaalsContact O-CG 3.26Å; F108-Q112 WeakPolarHBondContact O-CG 3.45Å; F108-Q112 PolarHBondContact O-N 3.24Å
109L95.8Very high92.3Very high103 Ų10398.7 Ų98.754%0.53950%0.502SS..Hα-helixtrans-66.3-39.2179.8-171.461.9000111.8E105 E106 Q112 I113E105-L109 WeakPolarHBondContact O-CB 3.43Å; E105-L109 PolarHBondContact O-N 2.99Å; E106-L109 PolarHBondContact O-N 3.37Å; L109-Q112 PolarHBondContact O-N 2.91Å; L109-I113 HydrophobicContact CG-CD1 4.03Å; L109-I113 WeakPolarHBondContact O-CB 3.49Å; L109-I113 VanDerWaalsContact O-CG1 3.26Å; L109-I113 WeakPolarHBondContact O-CG1 3.26Å; L109-I113 PolarHBondContact O-N 3.47Å
110K96.2Very high92.8Very high116 Ų116100.1 Ų100.150%0.50450%0.501SS..Hα-helixtrans-59.2-46.2171.4-76.8168.8-177.9165.80111.8E106 E107 I113 S114E106-K110 HydrophobicContact CG-CD 4.35Å; E106-K110 WeakPolarHBondContact O-CB 3.37Å; E106-K110 VanDerWaalsContact O-CG 3.27Å; E106-K110 WeakPolarHBondContact O-CG 3.26Å; E106-K110 PolarHBondContact O-N 3.4Å; E106-K110 WeakPolarHBondContact OE1-CE 3.1Å; E106-K110 IonicContact OE1-NZ 3.24Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å; E107-K110 PolarHBondContact O-N 3.31Å; K110-I113 PolarHBondContact O-N 2.64Å; K110-S114 WeakPolarHBondContact O-CB 3.38Å; K110-S114 PolarHBondContact O-N 3.25Å
111S96Very high93.3Very high67 Ų67102.1 Ų102.147%0.46951%0.507SS..Hα-helixtrans-57.6-50174.9-177.70000111.4E107 F108 I113 S114 S115E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 2.96Å; F108-S111 WeakPolarHBondContact O-CB 3.33Å; F108-S111 PolarHBondContact O-N 2.94Å; S111-I113 PolarHBondContact O-N 2.95Å; S111-S114 PolarHBondContact O-N 3.39Å; S111-S114 PolarHBondContact O-OG 3.34Å; S111-S115 PolarHBondContact O-N 2.72Å
112Q96.9Very high93.9Very high87 Ų87102.6 Ų102.641%0.40751%0.506SS..Hα-helixtrans-58.8-47.6177.3-68.7-75.186.300112F108 L109 S114 S115 L116F108-Q112 HydrophobicContact CD1-CG 4.12Å; F108-Q112 HydrophobicContact CD2-CG 4.46Å; F108-Q112 HydrophobicContact CE1-CG 3.7Å; F108-Q112 HydrophobicContact CE2-CG 4.07Å; F108-Q112 HydrophobicContact CG-CG 4.48Å; F108-Q112 HydrophobicContact CZ-CG 3.68Å; F108-Q112 VanDerWaalsContact O-CG 3.26Å; F108-Q112 WeakPolarHBondContact O-CG 3.45Å; F108-Q112 PolarHBondContact O-N 3.24Å; L109-Q112 PolarHBondContact O-N 2.91Å; Q112-S114 PolarHBondContact O-N 2.87Å; Q112-S115 PolarHBondContact O-N 2.89Å; Q112-S115 VanDerWaalsContact O-N 3.16Å; Q112-S115 PolarHBondContact O-OG 2.76Å; Q112-L116 WeakPolarHBondContact O-CG 3.5Å; Q112-L116 PolarHBondContact O-N 2.88Å
113I96.4Very high94.3Very high85 Ų85104.1 Ų104.144%0.43651%0.512SS..Hα-helixtrans-58.7-47.4176.3-70.6165.5000110.8L109 K110 S111 S115 L116 L117L109-I113 HydrophobicContact CG-CD1 4.03Å; L109-I113 WeakPolarHBondContact O-CB 3.49Å; L109-I113 VanDerWaalsContact O-CG1 3.26Å; L109-I113 WeakPolarHBondContact O-CG1 3.26Å; L109-I113 PolarHBondContact O-N 3.47Å; K110-I113 PolarHBondContact O-N 2.64Å; S111-I113 PolarHBondContact O-N 2.95Å; I113-S115 PolarHBondContact O-N 2.99Å; I113-L116 PolarHBondContact O-N 3.45Å; I113-L116 VanDerWaalsContact O-N 3.13Å; I113-L117 HydrophobicContact CG2-CD1 3.89Å; I113-L117 HydrophobicContact CG2-CG 4.31Å; I113-L117 WeakPolarHBondContact O-CG 3.03Å; I113-L117 PolarHBondContact O-N 3.35Å
114S96.8Very high94.6Very high67 Ų67101.8 Ų101.847%0.46950%0.496SS..Hα-helixtrans-58.8-36.8177.379.60000112.6K110 S111 Q112 K118K110-S114 WeakPolarHBondContact O-CB 3.38Å; K110-S114 PolarHBondContact O-N 3.25Å; S111-S114 PolarHBondContact O-N 3.39Å; S111-S114 PolarHBondContact O-OG 3.34Å; Q112-S114 PolarHBondContact O-N 2.87Å; S114-K118 WeakPolarHBondContact O-CB 3.39Å; S114-K118 PolarHBondContact O-N 2.93Å
115S96Very high94.9Very high38 Ų3898.7 Ų98.727%0.26648%0.481SS..Hα-helixtrans-70.8-33.9178.684.40000112.4S111 Q112 I113 R119S111-S115 PolarHBondContact O-N 2.72Å; Q112-S115 PolarHBondContact O-N 2.89Å; Q112-S115 VanDerWaalsContact O-N 3.16Å; Q112-S115 PolarHBondContact O-OG 2.76Å; I113-S115 PolarHBondContact O-N 2.99Å; S115-R119 VanDerWaalsContact O-CG 3.27Å; S115-R119 WeakPolarHBondContact O-CG 3.41Å; S115-R119 PolarHBondContact O-N 2.83Å
116L96.3Very high94.9Very high108 Ų10899.7 Ų99.757%0.56548%0.484SS*.Hα-helixtrans-72.9-44.7176.5-69.7173.3000111.2Q112 I113 K118 R119 Q120Q112-L116 WeakPolarHBondContact O-CG 3.5Å; Q112-L116 PolarHBondContact O-N 2.88Å; I113-L116 PolarHBondContact O-N 3.45Å; I113-L116 VanDerWaalsContact O-N 3.13Å; L116-K118 PolarHBondContact O-N 3.23Å; L116-R119 PolarHBondContact O-N 3.45Å; L116-Q120 PolarHBondContact O-N 3.27Å
117L94.4Very high95Very high88 Ų8898.9 Ų98.946%0.46148%0.482SS..Hα-helixtrans-58.1-48.5174.4-69.6172000111I113 R119 Q120 E121I113-L117 HydrophobicContact CG2-CD1 3.89Å; I113-L117 HydrophobicContact CG2-CG 4.31Å; I113-L117 WeakPolarHBondContact O-CG 3.03Å; I113-L117 PolarHBondContact O-N 3.35Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.14Å; L117-Q120 WeakPolarHBondContact O-CA 3.31Å; L117-Q120 WeakPolarHBondContact O-CB 3.36Å; L117-Q120 PolarHBondContact O-N 3.38Å; L117-E121 WeakPolarHBondContact O-CG 3.5Å; L117-E121 PolarHBondContact O-N 3.49Å
118K94.9Very high95Very high126 Ų12693 Ų9355%0.54846%0.455SS..Hα-helixtrans-58.9-38.1176.7-174.4171.2-176.11720113S114 L116 Q122S114-K118 WeakPolarHBondContact O-CB 3.39Å; S114-K118 PolarHBondContact O-N 2.93Å; L116-K118 PolarHBondContact O-N 3.23Å; K118-Q122 WeakPolarHBondContact O-CB 3.17Å; K118-Q122 WeakPolarHBondContact O-CG 3.3Å; K118-Q122 PolarHBondContact O-N 3.03Å
119R95.1Very high94.8Very high166 Ų16690.9 Ų90.963%0.62645%0.447SS*.Hα-helixtrans-68-36.9174.5-74.7172.3-177.8-174.73.5112.1S115 L116 L117 M123S115-R119 VanDerWaalsContact O-CG 3.27Å; S115-R119 WeakPolarHBondContact O-CG 3.41Å; S115-R119 PolarHBondContact O-N 2.83Å; L116-R119 PolarHBondContact O-N 3.45Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.14Å; R119-M123 WeakPolarHBondContact O-CB 3.3Å; R119-M123 PolarHBondContact O-N 3.13Å
120Q94.1Very high94.6Very high102 Ų10291 Ų9148%0.47744%0.444SS..Hα-helixtrans-66.5-46.6177.3-168.4-179.92600111.2L116 L117 M123 A124 I272L116-Q120 PolarHBondContact O-N 3.27Å; L117-Q120 WeakPolarHBondContact O-CA 3.31Å; L117-Q120 WeakPolarHBondContact O-CB 3.36Å; L117-Q120 PolarHBondContact O-N 3.38Å; Q120-M123 PolarHBondContact O-N 3.28Å; Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.21Å; Q120-I272 HydrophobicContact CG-CD1 3.73Å; Q120-I272 VanDerWaalsContact NE2-CD1 3.32Å
121E92.6Very high94.4Very high122 Ų12287.6 Ų87.657%0.5743%0.432SS*.Hα-helixtrans-57.6-48.2173.3-70171.6171.300111.6L117 M123 A124 I125L117-E121 WeakPolarHBondContact O-CG 3.5Å; L117-E121 PolarHBondContact O-N 3.49Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.22Å; E121-A124 PolarHBondContact O-N 2.75Å; E121-I125 WeakPolarHBondContact O-CB 3.49Å; E121-I125 WeakPolarHBondContact O-CG1 3.44Å; E121-I125 PolarHBondContact O-N 3.16Å
122Q93.8Very high94.1Very high110 Ų11086 Ų8651%0.51442%0.417SS..Hα-helixtrans-61.6-37.6177.7-75.5175.9-18.600112.8K118 K126K118-Q122 WeakPolarHBondContact O-CB 3.17Å; K118-Q122 WeakPolarHBondContact O-CG 3.3Å; K118-Q122 PolarHBondContact O-N 3.03Å; Q122-K126 WeakPolarHBondContact O-CB 3.25Å; Q122-K126 PolarHBondContact O-N 2.93Å
123M94.5Very high93.5Very high143 Ų14387.9 Ų87.970%0.70443%0.429SS*.Hα-helixtrans-68.4-43.3175.8-172.4178.8-66.800111.6R119 Q120 E121 K126 L127R119-M123 WeakPolarHBondContact O-CB 3.3Å; R119-M123 PolarHBondContact O-N 3.13Å; Q120-M123 PolarHBondContact O-N 3.28Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.22Å; M123-K126 PolarHBondContact O-N 2.97Å; M123-L127 WeakPolarHBondContact O-CB 3.48Å; M123-L127 PolarHBondContact O-N 2.95Å
124A94.9Very high92.7Very high6 Ų690.9 Ų90.95%0.0544%0.441CS..Hα-helixtrans-62.4-46.1176.300000112Q120 E121 K126 L127 C128 V270 I272 L275Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.21Å; E121-A124 PolarHBondContact O-N 2.75Å; A124-K126 PolarHBondContact O-N 2.91Å; A124-L127 PolarHBondContact O-N 3.04Å; A124-C128 VanDerWaalsContact O-CB 3.31Å; A124-C128 WeakPolarHBondContact O-CB 3.42Å; A124-C128 PolarHBondContact O-N 2.73Å; A124-V270 HydrophobicContact CB-CG1 4.29Å; A124-I272 HydrophobicContact CB-CG1 4.32Å; A124-L275 HydrophobicContact CB-CD1 3.95Å
125I94.1Very high91.9Very high57 Ų5791 Ų9129%0.29244%0.439SS..Hα-helixtrans-56.6-50.8174.6-73.9165.5000110.5E121 L127 C128 Q129 W149 V270E121-I125 WeakPolarHBondContact O-CB 3.49Å; E121-I125 WeakPolarHBondContact O-CG1 3.44Å; E121-I125 PolarHBondContact O-N 3.16Å; I125-L127 PolarHBondContact O-N 2.87Å; I125-C128 PolarHBondContact O-N 3.3Å; I125-Q129 WeakPolarHBondContact O-CG 3.07Å; I125-Q129 PolarHBondContact O-N 2.89Å; I125-W149 HydrophobicContact CB-CH2 4.42Å; I125-W149 HydrophobicContact CG1-CZ2 4.46Å; I125-W149 HydrophobicContact CG2-CH2 3.91Å; I125-W149 HydrophobicContact CG2-CZ2 3.85Å; I125-V270 HydrophobicContact CG1-CB 4.25Å; I125-V270 HydrophobicContact CG1-CG2 4Å
126K93.4Very high90.8Very high150 Ų15094 Ų9465%0.65246%0.46SS*.Hα-helixtrans-64-42-178.1-173.3176.7-179.1-1790112.5Q122 M123 A124 Q129 E130Q122-K126 WeakPolarHBondContact O-CB 3.25Å; Q122-K126 PolarHBondContact O-N 2.93Å; M123-K126 PolarHBondContact O-N 2.97Å; A124-K126 PolarHBondContact O-N 2.91Å; K126-Q129 PolarHBondContact O-N 3.44Å; K126-E130 PolarHBondContact O-N 2.95Å
127L93.3Very high90.1Very high88 Ų8893.4 Ų93.446%0.46146%0.457SS..Hα-helixtrans-64.3-42.9176.4-178.858.3000111.1M123 A124 I125 Q129 E130 L131 L275M123-L127 WeakPolarHBondContact O-CB 3.48Å; M123-L127 PolarHBondContact O-N 2.95Å; A124-L127 PolarHBondContact O-N 3.04Å; I125-L127 PolarHBondContact O-N 2.87Å; L127-Q129 PolarHBondContact O-N 2.94Å; L127-E130 WeakPolarHBondContact O-CB 3.44Å; L127-E130 PolarHBondContact O-N 2.86Å; L127-L131 HydrophobicContact CG-CD1 4.15Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.74Å; L127-L275 HydrophobicContact CB-CD2 4.47Å; L127-L275 HydrophobicContact CD2-CD1 4.32Å; L127-L275 HydrophobicContact CD2-CD2 4.48Å; L127-L275 HydrophobicContact CG-CD2 4.39Å
128C94.5Very high89.9Confident0 Ų090.8 Ų90.80%044%0.443CS..Hα-helixtrans-62.8-40177.2-174.90000112.9A124 I125 E130 L131 I132 C140 W149 V270 L275A124-C128 VanDerWaalsContact O-CB 3.31Å; A124-C128 WeakPolarHBondContact O-CB 3.42Å; A124-C128 PolarHBondContact O-N 2.73Å; I125-C128 PolarHBondContact O-N 3.3Å; C128-E130 VanDerWaalsContact C-N 3.32Å; C128-E130 PolarHBondContact O-N 2.92Å; C128-L131 PolarHBondContact O-N 2.71Å; C128-I132 WeakPolarHBondContact O-CD1 3.45Å; C128-I132 VanDerWaalsContact O-CG1 3.27Å; C128-I132 WeakPolarHBondContact O-CG1 3.21Å; C128-I132 PolarHBondContact O-N 2.78Å; C128-I132 VanDerWaalsContact SG-CD1 3.58Å; C128-C140 WeakPolarHBondContact CA-SG 3.44Å; C128-C140 HydrophobicContact CB-CB 3.83Å; C128-C140 WeakPolarHBondContact CB-SG 3.41Å; C128-C140 WeakPolarHBondContact SG-CB 3.39Å; C128-C140 PolarHBondContact SG-O 3.43Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.18Å; C128-W149 HydrophobicContact CB-CH2 4.21Å; C128-W149 HydrophobicContact CB-CZ3 4.04Å; C128-V270 HydrophobicContact CB-CG1 3.86Å; C128-L275 HydrophobicContact CB-CD2 3.81Å
129Q91.7Very high89.8Confident79 Ų7992.2 Ų92.237%0.36944%0.444SS..Hα-helixtrans-58.6-43.4174.7-73.8172.3-1700111.8I125 K126 L127 I132 I133 W149I125-Q129 WeakPolarHBondContact O-CG 3.07Å; I125-Q129 PolarHBondContact O-N 2.89Å; K126-Q129 PolarHBondContact O-N 3.44Å; L127-Q129 PolarHBondContact O-N 2.94Å; Q129-I132 PolarHBondContact O-N 3.12Å; Q129-I133 WeakPolarHBondContact O-CG1 3.45Å; Q129-I133 PolarHBondContact O-N 3.26Å; Q129-W149 HydrophobicContact CB-CZ3 4.4Å; Q129-W149 HydrophobicContact CG-CE3 3.98Å; Q129-W149 HydrophobicContact CG-CH2 3.63Å; Q129-W149 HydrophobicContact CG-CZ2 4.33Å; Q129-W149 HydrophobicContact CG-CZ3 3.42Å; Q129-W149 VanDerWaalsContact CG-CZ3 3.42Å
130E91.4Very high89.7Confident105 Ų10584.5 Ų84.549%0.49142%0.416SS..Hα-helixtrans-63.1-42.8175.8-161.170.1-150.600112K126 L127 C128 I132 I133 H134K126-E130 PolarHBondContact O-N 2.95Å; L127-E130 WeakPolarHBondContact O-CB 3.44Å; L127-E130 PolarHBondContact O-N 2.86Å; C128-E130 VanDerWaalsContact C-N 3.32Å; C128-E130 PolarHBondContact O-N 2.92Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 2.99Å; E130-I133 PolarHBondContact O-N 3.03Å; E130-H134 PolarHBondContact O-CD2 3.29Å
131L91.4Very high89.7Confident46 Ų4681 Ų8124%0.24140%0.401CS..Hα-helixtrans-63.8-37.1177.8-68.1167.6000112.4L127 C128 H134 T135 L275L127-L131 HydrophobicContact CG-CD1 4.15Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.74Å; C128-L131 PolarHBondContact O-N 2.71Å; L131-H134 PolarHBondContact O-N 3Å; L131-T135 PolarHBondContact O-N 3.35Å; L131-T135 PolarHBondContact O-OG1 2.9Å; L131-L275 HydrophobicContact CD1-CD2 4.34Å
132I90.6Very high89.8Confident33 Ų3375.9 Ų75.917%0.16938%0.378CS..Hα-helixtrans-70.4-31.1179.7-69.4163.6000112.4C128 Q129 E130 H134 T135 S136 H138 N141 W149C128-I132 WeakPolarHBondContact O-CD1 3.45Å; C128-I132 VanDerWaalsContact O-CG1 3.27Å; C128-I132 WeakPolarHBondContact O-CG1 3.21Å; C128-I132 PolarHBondContact O-N 2.78Å; C128-I132 VanDerWaalsContact SG-CD1 3.58Å; Q129-I132 PolarHBondContact O-N 3.12Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 2.99Å; I132-H134 PolarHBondContact O-N 3.25Å; I132-T135 WeakPolarHBondContact CA-O 3.05Å; I132-T135 CarbonylContact O-C 3.34Å; I132-T135 PolarHBondContact O-N 3.45Å; I132-S136 WeakPolarHBondContact O-CA 3.5Å; I132-S136 PolarHBondContact O-N 3.45Å; I132-H138 HydrophobicContact CG1-CB 4.19Å; I132-N141 HydrophobicContact CD1-CB 3.69Å; I132-N141 HydrophobicContact CG1-CB 4.12Å; I132-W149 HydrophobicContact CD1-CE3 3.52Å; I132-W149 HydrophobicContact CD1-CZ3 3.68Å
133I84.1Confident89.9Confident126 Ų12671 Ų7165%0.64636%0.356SS*.Hα-helixtrans-59.7-38.5174.2-69166.3000110.9Q129 E130Q129-I133 WeakPolarHBondContact O-CG1 3.45Å; Q129-I133 PolarHBondContact O-N 3.26Å; E130-I133 PolarHBondContact O-N 3.03Å
134H79.2Confident89.8Confident148 Ų14867 Ų6769%0.68534%0.34SS*.Hα-helixtrans-88.5-29.6178.4-66.8-62.9000113.7E130 L131 I132E130-H134 PolarHBondContact O-CD2 3.29Å; L131-H134 PolarHBondContact O-N 3Å; I132-H134 PolarHBondContact O-N 3.25Å
135T80.7Confident89.6Confident70 Ų7073.6 Ų73.643%0.42937%0.368SS..  trans-140.592.4-177.347.20000110.8L131 I132 D137 H138L131-T135 PolarHBondContact O-N 3.35Å; L131-T135 PolarHBondContact O-OG1 2.9Å; I132-T135 WeakPolarHBondContact CA-O 3.05Å; I132-T135 CarbonylContact O-C 3.34Å; I132-T135 PolarHBondContact O-N 3.45Å; T135-D137 PolarHBondContact O-N 3.19Å; T135-H138 WeakPolarHBondContact O-CB 3.33Å; T135-H138 PolarHBondContact O-N 2.97Å; T135-H138 PolarHBondContact OG1-CD2 3.43Å
136S72.4Confident89.4Confident100 Ų10078.5 Ų78.570%0.69939%0.391SS*.THydrogen-bonded Turntrans-59.8-17.2-171.8540000116I132 N141I132-S136 WeakPolarHBondContact O-CA 3.5Å; I132-S136 PolarHBondContact O-N 3.45Å; S136-N141 PolarHBondContact O-ND2 3.35Å
137D82.1Confident89.4Confident96 Ų9672.5 Ų72.551%0.51337%0.365SS..THydrogen-bonded Turntrans-112.427.9179.2-161.538.6000111.7T135 K145T135-D137 PolarHBondContact O-N 3.19Å; D137-K145 VanDerWaalsContact CG-NZ 3.28Å; D137-K145 WeakPolarHBondContact OD1-CD 3.32Å; D137-K145 WeakPolarHBondContact OD1-CE 3.45Å; D137-K145 WeakPolarHBondContact OD1-CG 3.45Å; D137-K145 IonicContact OD1-NZ 3.84Å; D137-K145 PolarHBondContact OD1-NZ 2.99Å; D137-K145 VanDerWaalsContact OD1-NZ 3.12Å; D137-K145 IonicContact OD2-NZ 2.71Å; D137-K145 PolarHBondContact OD2-NZ 2.76Å
138H90.1Very high89.5Confident34 Ų3471.7 Ų71.716%0.15736%0.359CS..  trans-59.5143.6176.6-160.8-89000111.6I132 T135 C140 N141 D274I132-H138 HydrophobicContact CG1-CB 4.19Å; T135-H138 WeakPolarHBondContact O-CB 3.33Å; T135-H138 PolarHBondContact O-N 2.97Å; T135-H138 PolarHBondContact OG1-CD2 3.43Å; H138-C140 VanDerWaalsContact C-N 3.28Å; H138-C140 PolarHBondContact ND1-N 3.05Å; H138-C140 PolarHBondContact ND1-SG 2.97Å; H138-C140 PolarHBondContact O-N 3.27Å; H138-N141 WeakPolarHBondContact O-CB 3.47Å; H138-N141 PolarHBondContact O-N 2.64Å; H138-D274 PolarHBondContact CE1-O 3.25Å
139R91.1Very high89.5Confident155 Ų15573.5 Ų73.559%0.58537%0.366SS*.THydrogen-bonded Turntrans-58.8-37.6-173.6-63.6-172.4-69.8166.5-5.8113.4N141 D274 D276R139-N141 PolarHBondContact O-N 3.24Å; R139-N141 VanDerWaalsContact O-N 3.17Å; R139-D274 HydrophobicContact CB-CB 4.3Å; R139-D276 PolarHBondContact NH2-O 3.39Å
140C93.9Very high89.6Confident4 Ų472.7 Ų72.73%0.02736%0.36CS..THydrogen-bonded Turntrans-63.8-13.4176.575.60000114.9C128 H138 P142 V270 D274 L275C128-C140 WeakPolarHBondContact CA-SG 3.44Å; C128-C140 HydrophobicContact CB-CB 3.83Å; C128-C140 WeakPolarHBondContact CB-SG 3.41Å; C128-C140 WeakPolarHBondContact SG-CB 3.39Å; C128-C140 PolarHBondContact SG-O 3.43Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.18Å; H138-C140 VanDerWaalsContact C-N 3.28Å; H138-C140 PolarHBondContact ND1-N 3.05Å; H138-C140 PolarHBondContact ND1-SG 2.97Å; H138-C140 PolarHBondContact O-N 3.27Å; C140-P142 VanDerWaalsContact O-CD 3.28Å; C140-P142 WeakPolarHBondContact O-CD 3.39Å; C140-P142 VanDerWaalsContact O-N 3.12Å; C140-V270 HydrophobicContact CB-CG1 4.36Å; C140-D274 HydrophobicContact CB-CB 4.28Å; C140-D274 VanDerWaalsContact CB-O 3.3Å; C140-D274 WeakPolarHBondContact CB-O 2.92Å; C140-D274 PolarHBondContact N-O 3.44Å; C140-L275 HydrophobicContact CB-CD2 3.83Å
141N93.8Very high89.6Confident30 Ų3072 Ų7216%0.1636%0.356CS..  trans-60.2114.8-174.4-174.1-8.7000110.5I132 S136 H138 R139 C143I132-N141 HydrophobicContact CD1-CB 3.69Å; I132-N141 HydrophobicContact CG1-CB 4.12Å; S136-N141 PolarHBondContact O-ND2 3.35Å; H138-N141 WeakPolarHBondContact O-CB 3.47Å; H138-N141 PolarHBondContact O-N 2.64Å; R139-N141 PolarHBondContact O-N 3.24Å; R139-N141 VanDerWaalsContact O-N 3.17Å; N141-C143 PolarHBondContact O-N 2.91Å; N141-C143 PolarHBondContact OD1-N 3.08Å; N141-C143 PolarHBondContact OD1-O 2.85Å
142P94.8Very high89.7Confident14 Ų1475.5 Ų75.59%0.09138%0.375CS..  trans-77-2.9-175.533.1-36.4000113.1C140 W149 A267 A268 V270C140-P142 VanDerWaalsContact O-CD 3.28Å; C140-P142 WeakPolarHBondContact O-CD 3.39Å; C140-P142 VanDerWaalsContact O-N 3.12Å; P142-W149 HydrophobicContact CG-CD2 3.47Å; P142-W149 VanDerWaalsContact CG-CD2 3.47Å; P142-W149 HydrophobicContact CG-CE3 3.87Å; P142-W149 HydrophobicContact CG-CG 3.89Å; P142-W149 HydrophobicContact CG-CH2 4.09Å; P142-W149 HydrophobicContact CG-CZ2 3.73Å; P142-W149 HydrophobicContact CG-CZ3 4.15Å; P142-A267 HydrophobicContact CB-CB 4.08Å; P142-A267 HydrophobicContact CG-CB 4.15Å; P142-A268 HydrophobicContact CB-CB 4.08Å; P142-A268 WeakPolarHBondContact CB-O 2.99Å; P142-A268 WeakPolarHBondContact O-CB 3.48Å; P142-A268 PolarHBondContact O-N 2.96Å; P142-A268 VanDerWaalsContact O-N 3.08Å; P142-V270 HydrophobicContact CB-CG2 4.17Å; P142-V270 HydrophobicContact CG-CG2 3.96Å
143C95.4Very high90Very high8 Ų874.8 Ų74.85%0.05437%0.373CS..SBendtrans-107.7144.3179.4-65.40000111.9N141 W147 W149 C154N141-C143 PolarHBondContact O-N 2.91Å; N141-C143 PolarHBondContact OD1-N 3.08Å; N141-C143 PolarHBondContact OD1-O 2.85Å; C143-W147 HydrophobicContact CB-CB 3.98Å; C143-W149 HydrophobicContact CB-CB 4.28Å; C143-W149 VanDerWaalsContact SG-CA 3.57Å; C143-W149 WeakPolarHBondContact SG-CB 3.49Å; C143-C154 WeakPolarHBondContact CA-SG 3.02Å; C143-C154 HydrophobicContact CB-CB 3.78Å; C143-C154 WeakPolarHBondContact CB-SG 3.34Å; C143-C154 WeakPolarHBondContact SG-CA 3.48Å; C143-C154 WeakPolarHBondContact SG-CB 3.36Å; C143-C154 CovalentContact SG-SG 2.03Å; C143-C154 PolarHBondContact SG-SG 3.29Å
144P93.8Very high90.7Very high58 Ų5868.8 Ų68.838%0.37734%0.343SS..  trans-63161.1176.3-15.327.4000112M146 W147P144-M146 PolarHBondContact O-N 3.47Å; P144-W147 HydrophobicContact CB-CG 4.29Å; P144-W147 HydrophobicContact CG-CG 4.23Å; P144-W147 VanDerWaalsContact O-CB 3.26Å; P144-W147 WeakPolarHBondContact O-CB 3.06Å; P144-W147 PolarHBondContact O-N 3.14Å
145K90.1Very high91.5Very high145 Ų14562 Ų6263%0.6331%0.311SS*.THydrogen-bonded Turntrans-52138.2177.1-53.2-159-177.6-150.80111.6D137 W147D137-K145 VanDerWaalsContact CG-NZ 3.28Å; D137-K145 WeakPolarHBondContact OD1-CD 3.32Å; D137-K145 WeakPolarHBondContact OD1-CE 3.45Å; D137-K145 WeakPolarHBondContact OD1-CG 3.45Å; D137-K145 IonicContact OD1-NZ 3.84Å; D137-K145 PolarHBondContact OD1-NZ 2.99Å; D137-K145 VanDerWaalsContact OD1-NZ 3.12Å; D137-K145 IonicContact OD2-NZ 2.71Å; D137-K145 PolarHBondContact OD2-NZ 2.76Å; K145-W147 PolarHBondContact O-N 2.86Å
146M89.6Confident92.3Very high159 Ų15961 Ų6178%0.78330%0.299SS*.THydrogen-bonded Turntrans68.23-174.5-51.9173.76200115.9P144 Y156P144-M146 PolarHBondContact O-N 3.47Å; M146-Y156 HydrophobicContact CB-CE2 3.96Å
147W94.4Very high93.4Very high25 Ų2557.3 Ų57.310%0.09527%0.271CS..PPolyproline II helixtrans-92139.1167.3-64.463.2000109.9C143 P144 K145 C154 Y155 Y156 K175 S177 C263 K265C143-W147 HydrophobicContact CB-CB 3.98Å; P144-W147 HydrophobicContact CB-CG 4.29Å; P144-W147 HydrophobicContact CG-CG 4.23Å; P144-W147 VanDerWaalsContact O-CB 3.26Å; P144-W147 WeakPolarHBondContact O-CB 3.06Å; P144-W147 PolarHBondContact O-N 3.14Å; K145-W147 PolarHBondContact O-N 2.86Å; W147-C154 HydrophobicContact CB-CB 4.21Å; W147-C154 HydrophobicContact CD2-CB 4.4Å; W147-C154 HydrophobicContact CE3-CB 3.76Å; W147-C154 WeakPolarHBondContact CZ3-O 3.04Å; W147-Y155 CarbonylContact C-O 3.52Å; W147-Y155 WeakPolarHBondContact CA-O 3.43Å; W147-Y156 AromaticContact CD1-CD2 3.76Å; W147-Y156 HydrophobicContact CD2-CD2 4.11Å; W147-Y156 HydrophobicContact CD2-CG 4.34Å; W147-Y156 AromaticContact CE2-CD2 3.78Å; W147-Y156 HydrophobicContact CG-CD2 4.08Å; W147-Y156 HydrophobicContact CZ2-CD2 4.32Å; W147-Y156 HydrophobicContact CZ2-CG 4.17Å; W147-Y156 AromaticContact NE1-CD2 3.56Å; W147-K175 HydrophobicContact CH2-CB 4.36Å; W147-K175 HydrophobicContact CZ2-CB 4.04Å; W147-K175 HydrophobicContact CZ2-CD 4.08Å; W147-K175 HydrophobicContact CZ2-CG 4.44Å; W147-S177 WeakPolarHBondContact CH2-OG 3.04Å; W147-C263 HydrophobicContact CH2-CB 3.82Å; W147-C263 HydrophobicContact CZ3-CB 4.2Å; W147-K265 HydrophobicContact CE3-CG 4.26Å; W147-K265 HydrophobicContact CH2-CD 4.14Å; W147-K265 HydrophobicContact CH2-CG 4.34Å; W147-K265 HydrophobicContact CZ3-CD 4.13Å; W147-K265 HydrophobicContact CZ3-CG 3.86Å
148Q93.4Very high94Very high70 Ų7052.9 Ų52.933%0.32725%0.248SC..EExtended strand (participates in β ladder)trans-89.1126.4175.2-172.4170.87.900109.7C154 Y155 F157 F190Q148-C154 WeakPolarHBondContact O-CA 3.36Å; Q148-Y155 PolarHBondContact N-O 2.93Å; Q148-Y155 PolarHBondContact O-N 3.02Å; Q148-F157 HydrophobicContact CB-CE2 4.41Å; Q148-F157 VanDerWaalsContact OE1-CE2 3.31Å; Q148-F190 HydrophobicContact CG-CE2 4.38Å; Q148-F190 HydrophobicContact CG-CZ 4.18Å
149W94.5Very high94.2Very high39 Ų3954.2 Ų54.215%0.14826%0.258CS..EExtended strand (participates in β ladder)trans-84.2128.1175.1-178.825.8000110.7I125 C128 Q129 I132 P142 C143 Q151 V270I125-W149 HydrophobicContact CB-CH2 4.42Å; I125-W149 HydrophobicContact CG1-CZ2 4.46Å; I125-W149 HydrophobicContact CG2-CH2 3.91Å; I125-W149 HydrophobicContact CG2-CZ2 3.85Å; C128-W149 HydrophobicContact CB-CH2 4.21Å; C128-W149 HydrophobicContact CB-CZ3 4.04Å; Q129-W149 HydrophobicContact CB-CZ3 4.4Å; Q129-W149 HydrophobicContact CG-CE3 3.98Å; Q129-W149 HydrophobicContact CG-CH2 3.63Å; Q129-W149 HydrophobicContact CG-CZ2 4.33Å; Q129-W149 HydrophobicContact CG-CZ3 3.42Å; Q129-W149 VanDerWaalsContact CG-CZ3 3.42Å; I132-W149 HydrophobicContact CD1-CE3 3.52Å; I132-W149 HydrophobicContact CD1-CZ3 3.68Å; P142-W149 HydrophobicContact CG-CD2 3.47Å; P142-W149 VanDerWaalsContact CG-CD2 3.47Å; P142-W149 HydrophobicContact CG-CE3 3.87Å; P142-W149 HydrophobicContact CG-CG 3.89Å; P142-W149 HydrophobicContact CG-CH2 4.09Å; P142-W149 HydrophobicContact CG-CZ2 3.73Å; P142-W149 HydrophobicContact CG-CZ3 4.15Å; C143-W149 HydrophobicContact CB-CB 4.28Å; C143-W149 VanDerWaalsContact SG-CA 3.57Å; C143-W149 WeakPolarHBondContact SG-CB 3.49Å; W149-Q151 PolarHBondContact NE1-O 2.83Å; W149-V270 HydrophobicContact CH2-CG2 3.67Å; W149-V270 HydrophobicContact CZ2-CG2 3.91Å
150Y94Very high94.2Very high62 Ų6252.6 Ų52.624%0.24326%0.261CS..EExtended strand (participates in β ladder)trans-144.5129.9167.8178-99.8000110.6N152 S153 Y155 E186 F190Y150-N152 PolarHBondContact O-N 3.1Å; Y150-N152 VanDerWaalsContact O-N 3.08Å; Y150-S153 PolarHBondContact N-O 3.06Å; Y150-S153 PolarHBondContact O-N 2.67Å; Y150-Y155 HydrophobicContact CD1-CE2 4.3Å; Y150-E186 PolarHBondContact OH-O 2.88Å; Y150-E186 VanDerWaalsContact OH-O 3.13Å; Y150-F190 HydrophobicContact CD1-CB 3.85Å; Y150-F190 AromaticContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD2 4.03Å; Y150-F190 HydrophobicContact CD1-CE1 4.18Å; Y150-F190 AromaticContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD2-CB 4.04Å; Y150-F190 HydrophobicContact CD2-CD1 4.44Å; Y150-F190 AromaticContact CD2-CD2 3.33Å; Y150-F190 HydrophobicContact CD2-CD2 3.33Å; Y150-F190 AromaticContact CD2-CE2 3.86Å; Y150-F190 HydrophobicContact CD2-CE2 3.86Å; Y150-F190 AromaticContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CE1-CB 3.54Å; Y150-F190 HydrophobicContact CE1-CD1 4.15Å; Y150-F190 HydrophobicContact CE1-CD2 4.47Å; Y150-F190 AromaticContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE2-CB 3.74Å; Y150-F190 AromaticContact CE2-CD2 3.84Å; Y150-F190 HydrophobicContact CE2-CD2 3.84Å; Y150-F190 AromaticContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CG-CB 4.09Å; Y150-F190 AromaticContact CG-CD1 3.78Å; Y150-F190 HydrophobicContact CG-CD1 3.78Å; Y150-F190 AromaticContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CD2 3.44Å; Y150-F190 VanDerWaalsContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CE1 4.06Å; Y150-F190 AromaticContact CG-CE2 3.73Å; Y150-F190 HydrophobicContact CG-CE2 3.73Å; Y150-F190 AromaticContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CG 3.47Å; Y150-F190 VanDerWaalsContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CZ 4.05Å; Y150-F190 VanDerWaalsContact CZ-CB 3.49Å
151Q92.6Very high94.3Very high89 Ų8956.2 Ų56.242%0.41628%0.278SS..THydrogen-bonded Turntrans46.7-111-172.4-61.5-176.425.800112.8W149W149-Q151 PolarHBondContact NE1-O 2.83Å
152N93.8Very high94.4Very high120 Ų12059.1 Ų59.164%0.64229%0.29SS*.THydrogen-bonded Turntrans-107.28.1-177.3-71.883.5000113Y150 A267Y150-N152 PolarHBondContact O-N 3.1Å; Y150-N152 VanDerWaalsContact O-N 3.08Å; N152-A267 WeakPolarHBondContact O-CB 3.44Å; N152-A267 PolarHBondContact O-N 3.23Å
153S97.1Very high94.6Very high18 Ų1860.4 Ų60.413%0.12629%0.294CS..EExtended strand (participates in β ladder)trans-125.2156-176.1-75.50000112.7Y150 Y155 E264 K265Y150-S153 PolarHBondContact N-O 3.06Å; Y150-S153 PolarHBondContact O-N 2.67Å; S153-Y155 VanDerWaalsContact CB-CE2 3.47Å; S153-E264 VanDerWaalsContact CB-OE1 3.3Å; S153-E264 WeakPolarHBondContact CB-OE1 3.45Å; S153-E264 PolarHBondContact OG-OE1 2.9Å; S153-K265 CarbonylContact C-O 3.46Å; S153-K265 WeakPolarHBondContact CA-O 3.39Å
154C97.3Very high94.8Very high1 Ų161.4 Ų61.41%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-113.6130.2172.9-59.20000108.7C143 W147 Q148 E264 K265 A267C143-C154 WeakPolarHBondContact CA-SG 3.02Å; C143-C154 HydrophobicContact CB-CB 3.78Å; C143-C154 WeakPolarHBondContact CB-SG 3.34Å; C143-C154 WeakPolarHBondContact SG-CA 3.48Å; C143-C154 WeakPolarHBondContact SG-CB 3.36Å; C143-C154 CovalentContact SG-SG 2.03Å; C143-C154 PolarHBondContact SG-SG 3.29Å; W147-C154 HydrophobicContact CB-CB 4.21Å; W147-C154 HydrophobicContact CD2-CB 4.4Å; W147-C154 HydrophobicContact CE3-CB 3.76Å; W147-C154 WeakPolarHBondContact CZ3-O 3.04Å; Q148-C154 WeakPolarHBondContact O-CA 3.36Å; C154-E264 WeakPolarHBondContact O-CA 3.23Å; C154-K265 HydrophobicContact CB-CG 4.19Å; C154-K265 PolarHBondContact N-O 3.19Å; C154-K265 PolarHBondContact O-N 3.21Å; C154-K265 VanDerWaalsContact O-N 3.1Å; C154-A267 VanDerWaalsContact SG-CA 3.53Å
155Y97.6Very high95Very high6 Ų659.9 Ų59.92%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-116132.9-175.5-59.4-97.2000110.8W147 Q148 Y150 S153 V180 E187 F190 L191 I262 C263 E264W147-Y155 CarbonylContact C-O 3.52Å; W147-Y155 WeakPolarHBondContact CA-O 3.43Å; Q148-Y155 PolarHBondContact N-O 2.93Å; Q148-Y155 PolarHBondContact O-N 3.02Å; Y150-Y155 HydrophobicContact CD1-CE2 4.3Å; S153-Y155 VanDerWaalsContact CB-CE2 3.47Å; Y155-V180 HydrophobicContact CD1-CG2 3.85Å; Y155-V180 HydrophobicContact CE1-CG2 3.58Å; Y155-E187 VanDerWaalsContact CE1-OE1 3.31Å; Y155-E187 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E187 PolarHBondContact OH-OE1 2.86Å; Y155-F190 HydrophobicContact CD1-CE1 4.08Å; Y155-F190 AromaticContact CD2-CE1 3.63Å; Y155-F190 HydrophobicContact CD2-CE1 3.63Å; Y155-F190 AromaticContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CE1-CE1 4.16Å; Y155-F190 HydrophobicContact CE2-CD1 4.41Å; Y155-F190 AromaticContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CZ 4.4Å; Y155-F190 AromaticContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CZ 4.3Å; Y155-L191 HydrophobicContact CD1-CD2 4.3Å; Y155-L191 HydrophobicContact CE1-CD2 4.44Å; Y155-I262 HydrophobicContact CD1-CG2 4.21Å; Y155-C263 CarbonylContact C-O 3.05Å; Y155-C263 WeakPolarHBondContact CA-O 3.44Å; Y155-E264 HydrophobicContact CD1-CB 4.49Å; Y155-E264 HydrophobicContact CD1-CG 4.04Å; Y155-E264 HydrophobicContact CE1-CG 3.76Å
156Y96.8Very high95.4Very high47 Ų4757.2 Ų57.218%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-119.8114.5175-169.2-88.1000110.3M146 W147 T158 K175 I262 C263M146-Y156 HydrophobicContact CB-CE2 3.96Å; W147-Y156 AromaticContact CD1-CD2 3.76Å; W147-Y156 HydrophobicContact CD2-CD2 4.11Å; W147-Y156 HydrophobicContact CD2-CG 4.34Å; W147-Y156 AromaticContact CE2-CD2 3.78Å; W147-Y156 HydrophobicContact CG-CD2 4.08Å; W147-Y156 HydrophobicContact CZ2-CD2 4.32Å; W147-Y156 HydrophobicContact CZ2-CG 4.17Å; W147-Y156 AromaticContact NE1-CD2 3.56Å; Y156-T158 WeakPolarHBondContact CD1-OG1 3.23Å; Y156-T158 WeakPolarHBondContact CE1-OG1 3.45Å; Y156-K175 HydrophobicContact CD1-CD 4.48Å; Y156-I262 WeakPolarHBondContact O-CA 3.47Å; Y156-C263 PolarHBondContact N-O 3.2Å; Y156-C263 PolarHBondContact O-N 3.44Å
157F95.4Very high95.8Very high24 Ų2453.8 Ų53.811%0.10527%0.268CS..EExtended strand (participates in β ladder)trans-92.1100.4-179.1-63.6-92.9000109.6Q148 T159 L191 Q194 L196 L197 F202 I262Q148-F157 HydrophobicContact CB-CE2 4.41Å; Q148-F157 VanDerWaalsContact OE1-CE2 3.31Å; F157-T159 PolarHBondContact O-N 2.04Å; F157-L191 HydrophobicContact CE1-CD2 4.32Å; F157-L191 HydrophobicContact CZ-CD2 4.12Å; F157-Q194 HydrophobicContact CE1-CG 4.21Å; F157-Q194 HydrophobicContact CE2-CG 4.41Å; F157-Q194 HydrophobicContact CZ-CB 4.5Å; F157-Q194 HydrophobicContact CZ-CG 3.77Å; F157-L196 HydrophobicContact CB-CD1 3.75Å; F157-L196 HydrophobicContact CG-CD1 4.14Å; F157-L197 HydrophobicContact CE1-CD1 3.75Å; F157-L197 HydrophobicContact CE1-CG 4.25Å; F157-F202 HydrophobicContact CB-CE1 4.34Å; F157-F202 HydrophobicContact CD1-CE1 4.25Å; F157-I262 HydrophobicContact CD1-CD1 4.02Å; F157-I262 HydrophobicContact CD1-CG1 3.66Å; F157-I262 HydrophobicContact CD1-CG2 4.35Å; F157-I262 HydrophobicContact CE1-CD1 3.62Å; F157-I262 HydrophobicContact CE1-CG1 3.74Å; F157-I262 HydrophobicContact CE1-CG2 4.11Å; F157-I262 HydrophobicContact CZ-CG2 4.31Å
158T94.7Very high96Very high3 Ų352.6 Ų52.62%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-83.1109.5178.7-47.60000110Y156 N160 F260 W261Y156-T158 WeakPolarHBondContact CD1-OG1 3.23Å; Y156-T158 WeakPolarHBondContact CE1-OG1 3.45Å; T158-N160 WeakPolarHBondContact CG2-OD1 3.41Å; T158-F260 WeakPolarHBondContact O-CB 3.45Å; T158-F260 WeakPolarHBondContact O-CD1 3.34Å; T158-W261 HydrophobicContact CG2-CD2 4.37Å; T158-W261 HydrophobicContact CG2-CH2 3.44Å; T158-W261 VanDerWaalsContact CG2-CH2 3.44Å; T158-W261 HydrophobicContact CG2-CZ2 3.34Å; T158-W261 HydrophobicContact CG2-CZ3 4.07Å; T158-W261 PolarHBondContact N-O 3.31Å; T158-W261 PolarHBondContact OG1-NE1 2.88Å
159T93.2Very high96.3Very high62 Ų6253.6 Ų53.638%0.3826%0.264SS..EExtended strand (participates in β ladder)trans-123.42.5-173.253.70000114.5F157 L196 F202 F260F157-T159 PolarHBondContact O-N 2.04Å; T159-L196 HydrophobicContact CG2-CD1 4.15Å; T159-L196 HydrophobicContact CG2-CD2 4.47Å; T159-F202 HydrophobicContact CG2-CE1 3.67Å; T159-F202 HydrophobicContact CG2-CZ 3.61Å; T159-F260 VanDerWaalsContact O-CE1 3.23Å; T159-F260 WeakPolarHBondContact O-CE1 3.24Å
160N91.9Very high96.4Very high120 Ų12057.2 Ų57.264%0.64228%0.281SS*.EExtended strand (participates in β ladder)trans-87.6-15.6-178.263.5-66000113.9T158T158-N160 WeakPolarHBondContact CG2-OD1 3.41Å
161E95.5Very high96.7Very high81 Ų8155.3 Ų55.338%0.37928%0.275SS..EExtended strand (participates in β ladder)trans-156.3156.7178.166.4-174.4144.400109.6K163 F260 W261E161-K163 WeakPolarHBondContact OE1-CE 3.36Å; E161-K163 IonicContact OE1-NZ 2.86Å; E161-K163 PolarHBondContact OE1-NZ 2.81Å; E161-K163 WeakPolarHBondContact OE2-CE 3.49Å; E161-K163 IonicContact OE2-NZ 2.75Å; E161-K163 PolarHBondContact OE2-NZ 3.06Å; E161-F260 VanDerWaalsContact O-CD1 3.22Å; E161-F260 WeakPolarHBondContact O-CD1 3.46Å; E161-W261 HydrophobicContact CG-CH2 3.67Å; E161-W261 HydrophobicContact CG-CZ3 4.07Å; E161-W261 VanDerWaalsContact O-CZ3 3.29Å; E161-W261 WeakPolarHBondContact O-CZ3 3.14Å
162E97.4Very high96.9Very high91 Ų9151.1 Ų51.143%0.42526%0.255SS..EExtended strand (participates in β ladder)trans-105.5144.1174.3-67-178.9178.600109.5E258 F260E162-E258 HydrophobicContact CB-CB 3.93Å; E162-F260 HydrophobicContact CG-CD1 3.81Å; E162-F260 HydrophobicContact CG-CD2 4.16Å; E162-F260 HydrophobicContact CG-CE1 3.56Å; E162-F260 HydrophobicContact CG-CE2 3.93Å; E162-F260 HydrophobicContact CG-CG 4.12Å; E162-F260 HydrophobicContact CG-CZ 3.62Å; E162-F260 WeakPolarHBondContact OE1-CE2 3.32Å; E162-F260 WeakPolarHBondContact OE1-CZ 3.37Å
163K98.3Very high97.2Very high41 Ų4149 Ų4918%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-139.8159.7-178.6-78.5-178.7-174.2144.90112.2E161 N167 S168 W203 E258 I259 W261E161-K163 WeakPolarHBondContact OE1-CE 3.36Å; E161-K163 IonicContact OE1-NZ 2.86Å; E161-K163 PolarHBondContact OE1-NZ 2.81Å; E161-K163 WeakPolarHBondContact OE2-CE 3.49Å; E161-K163 IonicContact OE2-NZ 2.75Å; E161-K163 PolarHBondContact OE2-NZ 3.06Å; K163-N167 HydrophobicContact CB-CB 4.08Å; K163-N167 HydrophobicContact CD-CB 4.1Å; K163-N167 HydrophobicContact CG-CB 4.34Å; K163-S168 WeakPolarHBondContact CB-OG 3.13Å; K163-W203 PolarHBondContact O-NE1 3.43Å; K163-E258 WeakPolarHBondContact O-CA 3.48Å; K163-I259 PolarHBondContact N-O 3.01Å; K163-I259 PolarHBondContact O-N 3.47Å; K163-W261 HydrophobicContact CB-CE3 4.1Å; K163-W261 HydrophobicContact CB-CH2 4.24Å; K163-W261 HydrophobicContact CB-CZ3 3.67Å; K163-W261 HydrophobicContact CD-CH2 3.47Å; K163-W261 VanDerWaalsContact CD-CH2 3.47Å; K163-W261 HydrophobicContact CD-CZ2 4.05Å; K163-W261 HydrophobicContact CD-CZ3 3.83Å; K163-W261 HydrophobicContact CG-CH2 3.88Å; K163-W261 HydrophobicContact CG-CZ3 3.73Å
164T98.7Very high97.2Very high28 Ų2852.9 Ų52.917%0.17226%0.263CS..  trans-62.8150.1166.3660000110.5T166 N167 S168 C255 A257 E258T164-T166 PolarHBondContact O-N 3.03Å; T164-T166 VanDerWaalsContact O-N 3.14Å; T164-N167 WeakPolarHBondContact O-CA 3.37Å; T164-N167 PolarHBondContact O-N 3.17Å; T164-N167 WeakPolarHBondContact OG1-CB 3.5Å; T164-N167 VanDerWaalsContact OG1-CG 3.3Å; T164-N167 PolarHBondContact OG1-ND2 2.91Å; T164-S168 PolarHBondContact O-N 2.92Å; T164-S168 PolarHBondContact O-OG 2.76Å; T164-C255 WeakPolarHBondContact CB-O 3.04Å; T164-A257 WeakPolarHBondContact CA-O 3.47Å; T164-E258 HydrophobicContact CG2-CG 4.36Å
165W98.6Very high97.2Very high27 Ų2755.7 Ų55.710%0.10227%0.274CS..Hα-helixtrans-52.6-41.9-176.6-176.990.5000112.4N167 S168 R169 L179 W203 L204 C242 C255W165-N167 PolarHBondContact O-N 2.98Å; W165-S168 PolarHBondContact O-N 2.86Å; W165-R169 WeakPolarHBondContact O-CB 3.21Å; W165-R169 PolarHBondContact O-N 2.96Å; W165-L179 HydrophobicContact CD2-CD1 4.2Å; W165-L179 HydrophobicContact CG-CD1 4.31Å; W165-L179 HydrophobicContact CZ2-CD1 4.03Å; W165-W203 HydrophobicContact CB-CD2 4.03Å; W165-W203 HydrophobicContact CB-CE3 4.42Å; W165-W203 HydrophobicContact CB-CG 4.4Å; W165-W203 HydrophobicContact CB-CZ2 4.17Å; W165-W203 AromaticContact CD1-CD2 3.77Å; W165-W203 AromaticContact CD1-CE3 3.77Å; W165-W203 AromaticContact CD1-CG 3.9Å; W165-W203 HydrophobicContact CG-CD2 4.34Å; W165-L204 PolarHBondContact NE1-O 2.92Å; W165-C242 HydrophobicContact CB-CB 3.92Å; W165-C242 HydrophobicContact CD2-CB 4.22Å; W165-C242 HydrophobicContact CG-CB 3.61Å; W165-C255 HydrophobicContact CB-CB 4.14Å; W165-C255 PolarHBondContact N-O 2.87Å
166T98.4Very high97.2Very high88 Ų8862.2 Ų62.254%0.5431%0.31SS..Hα-helixtrans-63.3-38.3176.9-50.20000112.9T164 K170T164-T166 PolarHBondContact O-N 3.03Å; T164-T166 VanDerWaalsContact O-N 3.14Å; T166-K170 PolarHBondContact O-N 3.31Å
167N98.6Very high97.2Very high88 Ų8860.5 Ų60.547%0.47131%0.305SS..Hα-helixtrans-77.3-35.7179.2-72-11.1000111.6K163 T164 W165 K170 D171K163-N167 HydrophobicContact CB-CB 4.08Å; K163-N167 HydrophobicContact CD-CB 4.1Å; K163-N167 HydrophobicContact CG-CB 4.34Å; T164-N167 WeakPolarHBondContact O-CA 3.37Å; T164-N167 PolarHBondContact O-N 3.17Å; T164-N167 WeakPolarHBondContact OG1-CB 3.5Å; T164-N167 VanDerWaalsContact OG1-CG 3.3Å; T164-N167 PolarHBondContact OG1-ND2 2.91Å; W165-N167 PolarHBondContact O-N 2.98Å; N167-K170 PolarHBondContact O-N 3.02Å; N167-D171 PolarHBondContact O-N 3.4Å
168S98.6Very high97.4Very high0 Ų062.1 Ų62.10%032%0.317CS..Hα-helixtrans-61.9-45.9170-63.10000111.8K163 T164 W165 K170 D171 C172 W261K163-S168 WeakPolarHBondContact CB-OG 3.13Å; T164-S168 PolarHBondContact O-N 2.92Å; T164-S168 PolarHBondContact O-OG 2.76Å; W165-S168 PolarHBondContact O-N 2.86Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 2.84Å; S168-D171 WeakPolarHBondContact O-CB 3.27Å; S168-D171 PolarHBondContact O-N 3.11Å; S168-C172 PolarHBondContact O-N 3.28Å; S168-C172 PolarHBondContact O-SG 2.93Å; S168-C172 VanDerWaalsContact O-SG 3.4Å; S168-W261 VanDerWaalsContact CB-CG 3.45Å; S168-W261 VanDerWaalsContact OG-CD2 3.32Å
169R98.5Very high97.6Very high91 Ų9162 Ų6234%0.34332%0.316SS..Hα-helixtrans-57-46.3172176.3169.3-165.6-96.1-4.9112.1W165 D171 C172 I173 L179 E218W165-R169 WeakPolarHBondContact O-CB 3.21Å; W165-R169 PolarHBondContact O-N 2.96Å; R169-D171 VanDerWaalsContact C-N 3.31Å; R169-D171 PolarHBondContact O-N 3.33Å; R169-C172 PolarHBondContact O-N 3.12Å; R169-I173 HydrophobicContact CG-CD1 3.94Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 2.67Å; R169-L179 HydrophobicContact CB-CD1 3.9Å; R169-L179 HydrophobicContact CB-CG 4.29Å; R169-E218 WeakPolarHBondContact CD-OE1 3.4Å; R169-E218 VanDerWaalsContact CG-OE1 3.23Å; R169-E218 WeakPolarHBondContact CG-OE1 3.04Å; R169-E218 IonicContact CZ-OE2 2.67Å; R169-E218 IonicContact NE-OE1 2.6Å; R169-E218 PolarHBondContact NE-OE1 3.45Å; R169-E218 IonicContact NE-OE2 2.73Å; R169-E218 PolarHBondContact NE-OE2 2.04Å; R169-E218 IonicContact NH2-OE2 2.75Å
170K98.6Very high97.8Very high114 Ų11459.1 Ų59.150%0.49630%0.298SS..Hα-helixtrans-59.7-42.4176.2174.2161.617040.70111.8T166 N167 S168 C172 I173 D174T166-K170 PolarHBondContact O-N 3.31Å; N167-K170 PolarHBondContact O-N 3.02Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 2.84Å; K170-C172 VanDerWaalsContact C-N 3.32Å; K170-C172 PolarHBondContact O-N 3.01Å; K170-I173 PolarHBondContact O-N 2.75Å; K170-D174 IonicContact NZ-OD1 3.27Å; K170-D174 PolarHBondContact NZ-OD1 3.26Å; K170-D174 IonicContact NZ-OD2 2.83Å; K170-D174 PolarHBondContact NZ-OD2 3.17Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 PolarHBondContact O-N 3.49Å
171D98.4Very high98.1Very high23 Ų2354.6 Ų54.612%0.12327%0.273CS..Hα-helixtrans-61.6-37.5177.1178.386.3000112.9N167 S168 R169 K175 W261N167-D171 PolarHBondContact O-N 3.4Å; S168-D171 WeakPolarHBondContact O-CB 3.27Å; S168-D171 PolarHBondContact O-N 3.11Å; R169-D171 VanDerWaalsContact C-N 3.31Å; R169-D171 PolarHBondContact O-N 3.33Å; D171-K175 WeakPolarHBondContact O-CG 3.46Å; D171-K175 PolarHBondContact O-N 3.18Å; D171-K175 IonicContact OD1-NZ 2.74Å; D171-K175 PolarHBondContact OD1-NZ 3.48Å; D171-K175 IonicContact OD2-NZ 2.92Å; D171-K175 PolarHBondContact OD2-NZ 3.3Å; D171-W261 HydrophobicContact CB-CZ2 3.8Å; D171-W261 VanDerWaalsContact CG-CZ2 3.46Å; D171-W261 WeakPolarHBondContact OD2-CZ2 3.37Å; D171-W261 PolarHBondContact OD2-NE1 3.07Å
172C98.4Very high98.1Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-68.4-41.2172.4-58.40000112.4S168 R169 K170 D174 K175 N176 S177 T178 W261 C263S168-C172 PolarHBondContact O-N 3.28Å; S168-C172 PolarHBondContact O-SG 2.93Å; S168-C172 VanDerWaalsContact O-SG 3.4Å; R169-C172 PolarHBondContact O-N 3.12Å; K170-C172 VanDerWaalsContact C-N 3.32Å; K170-C172 PolarHBondContact O-N 3.01Å; C172-D174 VanDerWaalsContact C-N 3.32Å; C172-D174 PolarHBondContact O-N 3.2Å; C172-K175 CarbonylContact O-C 3.57Å; C172-K175 WeakPolarHBondContact O-CA 3.39Å; C172-K175 WeakPolarHBondContact O-CB 3.28Å; C172-K175 PolarHBondContact O-N 3.21Å; C172-N176 PolarHBondContact O-N 2.87Å; C172-S177 CarbonylContact C-O 3.52Å; C172-S177 CarbonylContact O-C 3.45Å; C172-S177 WeakPolarHBondContact O-CA 3.4Å; C172-S177 PolarHBondContact O-N 2.99Å; C172-S177 PolarHBondContact O-OG 3.32Å; C172-T178 WeakPolarHBondContact CB-O 3.46Å; C172-W261 VanDerWaalsContact SG-CD1 3.54Å; C172-C263 WeakPolarHBondContact CA-SG 3.46Å; C172-C263 HydrophobicContact CB-CB 3.71Å; C172-C263 WeakPolarHBondContact CB-SG 3.39Å; C172-C263 WeakPolarHBondContact SG-CA 3.34Å; C172-C263 WeakPolarHBondContact SG-CB 3.38Å; C172-C263 CovalentContact SG-SG 2.04Å; C172-C263 PolarHBondContact SG-SG 3.24Å
173I98.4Very high97.9Very high76 Ų7651.1 Ų51.139%0.3926%0.26SS..Hα-helixtrans-60.6-43.9175.4-68.8166.1000110.5R169 K170 K175 N176 S177R169-I173 HydrophobicContact CG-CD1 3.94Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 2.67Å; K170-I173 PolarHBondContact O-N 2.75Å; I173-K175 PolarHBondContact O-N 3.21Å; I173-K175 VanDerWaalsContact O-N 3.12Å; I173-N176 PolarHBondContact O-N 3.41Å; I173-S177 WeakPolarHBondContact CA-O 3.2Å; I173-S177 PolarHBondContact N-O 2.73Å
174D98.1Very high97.8Very high100 Ų10050.4 Ų50.454%0.53526%0.26SS..THydrogen-bonded Turntrans-64.6-14.7176.4-63.6-21000112.5K170 C172K170-D174 IonicContact NZ-OD1 3.27Å; K170-D174 PolarHBondContact NZ-OD1 3.26Å; K170-D174 IonicContact NZ-OD2 2.83Å; K170-D174 PolarHBondContact NZ-OD2 3.17Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 PolarHBondContact O-N 3.49Å; C172-D174 VanDerWaalsContact C-N 3.32Å; C172-D174 PolarHBondContact O-N 3.2Å
175K96.8Very high97.5Very high59 Ų5953.2 Ų53.226%0.25727%0.274SS..THydrogen-bonded Turntrans-98.16.7172.6-75.1172.9177.467.90114.4W147 Y156 D171 C172 I173 S177 K265W147-K175 HydrophobicContact CH2-CB 4.36Å; W147-K175 HydrophobicContact CZ2-CB 4.04Å; W147-K175 HydrophobicContact CZ2-CD 4.08Å; W147-K175 HydrophobicContact CZ2-CG 4.44Å; Y156-K175 HydrophobicContact CD1-CD 4.48Å; D171-K175 WeakPolarHBondContact O-CG 3.46Å; D171-K175 PolarHBondContact O-N 3.18Å; D171-K175 IonicContact OD1-NZ 2.74Å; D171-K175 PolarHBondContact OD1-NZ 3.48Å; D171-K175 IonicContact OD2-NZ 2.92Å; D171-K175 PolarHBondContact OD2-NZ 3.3Å; C172-K175 CarbonylContact O-C 3.57Å; C172-K175 WeakPolarHBondContact O-CA 3.39Å; C172-K175 WeakPolarHBondContact O-CB 3.28Å; C172-K175 PolarHBondContact O-N 3.21Å; I173-K175 PolarHBondContact O-N 3.21Å; I173-K175 VanDerWaalsContact O-N 3.12Å; K175-S177 WeakPolarHBondContact CB-OG 3.39Å; K175-K265 PolarHBondContact O-NZ 3.29Å
176N97.6Very high97.4Very high144 Ų14457.2 Ų57.277%0.7729%0.293SS*.THydrogen-bonded Turntrans54.553.1-170-59.7-53.4000112.2C172 I173 K265C172-N176 PolarHBondContact O-N 2.87Å; I173-N176 PolarHBondContact O-N 3.41Å; N176-K265 WeakPolarHBondContact O-CD 3.2Å
177S98Very high97.3Very high11 Ų1153.4 Ų53.48%0.07727%0.269CS..  trans-149.6168.8-176.439.30000111W147 C172 I173 K175 E264W147-S177 WeakPolarHBondContact CH2-OG 3.04Å; C172-S177 CarbonylContact C-O 3.52Å; C172-S177 CarbonylContact O-C 3.45Å; C172-S177 WeakPolarHBondContact O-CA 3.4Å; C172-S177 PolarHBondContact O-N 2.99Å; C172-S177 PolarHBondContact O-OG 3.32Å; I173-S177 WeakPolarHBondContact CA-O 3.2Å; I173-S177 PolarHBondContact N-O 2.73Å; K175-S177 WeakPolarHBondContact CB-OG 3.39Å; S177-E264 WeakPolarHBondContact CA-O 3.35Å; S177-E264 WeakPolarHBondContact CB-O 3.43Å
178T98.5Very high97.1Very high58 Ų5850.1 Ų50.136%0.35625%0.251SS..EExtended strand (participates in β ladder)trans-104.3171.6168.154.40000110.1C172 E218 C263 E264C172-T178 WeakPolarHBondContact CB-O 3.46Å; T178-E218 HydrophobicContact CG2-CB 4.35Å; T178-C263 CarbonylContact O-C 3.54Å; T178-C263 VanDerWaalsContact O-CA 3.24Å; T178-C263 WeakPolarHBondContact O-CA 3.44Å; T178-E264 PolarHBondContact N-O 3.4Å; T178-E264 PolarHBondContact O-N 2.04Å
179L98.6Very high96.8Very high1 Ų155.1 Ų55.11%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-62.4147.5154.7-72.5170.5000109.4W165 R169 W203 G205 E218 W261 I262W165-L179 HydrophobicContact CD2-CD1 4.2Å; W165-L179 HydrophobicContact CG-CD1 4.31Å; W165-L179 HydrophobicContact CZ2-CD1 4.03Å; R169-L179 HydrophobicContact CB-CD1 3.9Å; R169-L179 HydrophobicContact CB-CG 4.29Å; L179-W203 HydrophobicContact CD2-CB 4.35Å; L179-G205 VanDerWaalsContact CB-CA 3.48Å; L179-E218 WeakPolarHBondContact CB-OE1 3.33Å; L179-E218 WeakPolarHBondContact CD1-OE1 3.03Å; L179-E218 WeakPolarHBondContact CG-OE1 3.5Å; L179-W261 HydrophobicContact CD2-CB 3.7Å; L179-W261 HydrophobicContact CD2-CG 4.14Å; L179-I262 WeakPolarHBondContact CA-O 3.47Å
180V98Very high96.6Very high0 Ų051.4 Ų51.40%026%0.264CS..  trans-57.6138.8-174.9690000112.9Y155 L191 L204 G205 I262 E264Y155-V180 HydrophobicContact CD1-CG2 3.85Å; Y155-V180 HydrophobicContact CE1-CG2 3.58Å; V180-L191 HydrophobicContact CG2-CD1 4.33Å; V180-L204 HydrophobicContact CG1-CD2 3.44Å; V180-L204 VanDerWaalsContact CG1-CD2 3.44Å; V180-G205 PolarHBondContact O-N 2.87Å; V180-I262 HydrophobicContact CB-CB 4Å; V180-I262 HydrophobicContact CB-CG2 3.86Å; V180-I262 HydrophobicContact CG1-CB 3.68Å; V180-I262 HydrophobicContact CG1-CD1 4.08Å; V180-I262 HydrophobicContact CG1-CG1 4.45Å; V180-I262 HydrophobicContact CG1-CG2 4.02Å; V180-I262 HydrophobicContact CG2-CG2 4.33Å; V180-I262 PolarHBondContact N-O 3.45Å; V180-E264 HydrophobicContact CB-CB 4.05Å; V180-E264 HydrophobicContact CG2-CB 4.08Å; V180-E264 HydrophobicContact CG2-CG 4.31Å; V180-E264 WeakPolarHBondContact CG2-OE2 3.41Å
181K97.1Very high96.4Very high26 Ų2646 Ų4611%0.11324%0.24CC..  trans-116.9115.1178.5174.2174.1178-127.60109.5D183 E187 W217 D219 S221 E264K181-D183 WeakPolarHBondContact CE-OD1 3.48Å; K181-D183 WeakPolarHBondContact CE-OD2 3.02Å; K181-D183 IonicContact NZ-OD1 3.5Å; K181-D183 PolarHBondContact NZ-OD1 3.41Å; K181-D183 IonicContact NZ-OD2 3.59Å; K181-D183 PolarHBondContact NZ-OD2 2.91Å; K181-D183 PolarHBondContact O-N 3.03Å; K181-E187 VanDerWaalsContact O-OE2 3.08Å; K181-W217 HydrophobicContact CB-CD2 4.33Å; K181-W217 HydrophobicContact CB-CE3 3.94Å; K181-W217 HydrophobicContact CB-CZ3 4.33Å; K181-W217 HydrophobicContact CD-CB 3.86Å; K181-W217 HydrophobicContact CD-CD2 4.26Å; K181-W217 HydrophobicContact CD-CG 3.92Å; K181-W217 HydrophobicContact CG-CB 4.21Å; K181-W217 HydrophobicContact CG-CD2 3.65Å; K181-W217 HydrophobicContact CG-CE3 3.77Å; K181-W217 HydrophobicContact CG-CG 3.85Å; K181-W217 HydrophobicContact CG-CZ3 4.34Å; K181-D219 VanDerWaalsContact CE-OD2 3.25Å; K181-D219 WeakPolarHBondContact CE-OD2 3.15Å; K181-D219 IonicContact NZ-OD2 3.12Å; K181-D219 PolarHBondContact NZ-OD2 2.96Å; K181-S221 WeakPolarHBondContact CE-OG 3.3Å; K181-E264 PolarHBondContact N-OE2 2.03Å
182I95.8Very high96.1Very high3 Ų350.1 Ų50.12%0.01526%0.26CS..  trans-75.6100.4176.6-59.4171.4000108S184 E187 K188 L191 L204 W217 L227 F245 I250I182-S184 WeakPolarHBondContact CG2-O 3.49Å; I182-E187 WeakPolarHBondContact CA-OE2 3.47Å; I182-K188 HydrophobicContact CG2-CB 3.95Å; I182-K188 HydrophobicContact CG2-CG 4.35Å; I182-L191 HydrophobicContact CD1-CD1 4.08Å; I182-L191 HydrophobicContact CG1-CD1 3.84Å; I182-L204 HydrophobicContact CD1-CD1 4Å; I182-L204 HydrophobicContact CD1-CD2 4.04Å; I182-L204 HydrophobicContact CG1-CD2 4.37Å; I182-W217 HydrophobicContact CB-CH2 3.92Å; I182-W217 HydrophobicContact CB-CZ2 4.23Å; I182-W217 HydrophobicContact CG1-CH2 4.25Å; I182-W217 VanDerWaalsContact N-CH2 3.33Å; I182-L227 WeakPolarHBondContact O-CD1 3.34Å; I182-F245 HydrophobicContact CD1-CD2 3.85Å; I182-F245 HydrophobicContact CD1-CE2 4.01Å; I182-I250 HydrophobicContact CD1-CD1 3.88Å; I182-I250 HydrophobicContact CD1-CG1 4.35Å
183D94.1Very high95.8Very high95 Ų9554 Ų5451%0.50829%0.287SS..  trans-97.5-15.9-179.7-95-37.5000112.8K181 E187K181-D183 WeakPolarHBondContact CE-OD1 3.48Å; K181-D183 WeakPolarHBondContact CE-OD2 3.02Å; K181-D183 IonicContact NZ-OD1 3.5Å; K181-D183 PolarHBondContact NZ-OD1 3.41Å; K181-D183 IonicContact NZ-OD2 3.59Å; K181-D183 PolarHBondContact NZ-OD2 2.91Å; K181-D183 PolarHBondContact O-N 3.03Å; D183-E187 PolarHBondContact N-OE2 3.48Å
184S95.4Very high95.4Very high27 Ų2751.4 Ų51.419%0.18927%0.273CS..  trans-142.4163.9-17966.90000113.7I182 E186 E187 K188I182-S184 WeakPolarHBondContact CG2-O 3.49Å; S184-E186 WeakPolarHBondContact CB-OE2 3.02Å; S184-E187 WeakPolarHBondContact OG-CB 3.47Å; S184-E187 PolarHBondContact OG-N 3.28Å; S184-K188 PolarHBondContact O-N 3.01Å
185L94.1Very high94.8Very high87 Ų8750.7 Ų50.746%0.45528%0.275SS..Hα-helixtrans-73.1-35.6173.4-68.8178.4000110.7E187 K188 D189 L227L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.94Å; L185-K188 WeakPolarHBondContact O-CA 3.33Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 3Å; L185-K188 VanDerWaalsContact O-N 3.07Å; L185-D189 PolarHBondContact O-N 2.83Å; L185-L227 HydrophobicContact CD2-CD2 4.11Å; L185-L227 HydrophobicContact CG-CD2 4.15Å
186E95.6Very high94Very high111 Ų11151.7 Ų51.752%0.51928%0.282SS..Hα-helixtrans-60.2-39.4176.1-64.774.3-170.100111.4Y150 S184 F190Y150-E186 PolarHBondContact OH-O 2.88Å; Y150-E186 VanDerWaalsContact OH-O 3.13Å; S184-E186 WeakPolarHBondContact CB-OE2 3.02Å; E186-F190 WeakPolarHBondContact O-CB 3.4Å; E186-F190 PolarHBondContact O-N 3.26Å
187E95.8Very high93.2Very high8 Ų844.9 Ų44.94%0.03725%0.246CC..Hα-helixtrans-68.1-42.6170.9-177.8-177.1-16500112.4Y155 K181 I182 D183 S184 L185 D189 F190 L191Y155-E187 VanDerWaalsContact CE1-OE1 3.31Å; Y155-E187 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E187 PolarHBondContact OH-OE1 2.86Å; K181-E187 VanDerWaalsContact O-OE2 3.08Å; I182-E187 WeakPolarHBondContact CA-OE2 3.47Å; D183-E187 PolarHBondContact N-OE2 3.48Å; S184-E187 WeakPolarHBondContact OG-CB 3.47Å; S184-E187 PolarHBondContact OG-N 3.28Å; L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.94Å; E187-D189 PolarHBondContact O-N 2.88Å; E187-F190 WeakPolarHBondContact O-CB 3.37Å; E187-F190 PolarHBondContact O-N 2.95Å; E187-F190 VanDerWaalsContact O-N 3.14Å; E187-L191 WeakPolarHBondContact O-CG 3.42Å; E187-L191 PolarHBondContact O-N 3.25Å
188K93.9Very high92.1Very high18 Ų1849.2 Ų49.28%0.07827%0.266CS..Hα-helixtrans-57.8-40.5175.6-162.3178.4-174.4173.50111.3I182 S184 L185 M192 L227 E232 F245 G248I182-K188 HydrophobicContact CG2-CB 3.95Å; I182-K188 HydrophobicContact CG2-CG 4.35Å; S184-K188 PolarHBondContact O-N 3.01Å; L185-K188 WeakPolarHBondContact O-CA 3.33Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 3Å; L185-K188 VanDerWaalsContact O-N 3.07Å; K188-M192 WeakPolarHBondContact O-CB 3.45Å; K188-M192 PolarHBondContact O-N 2.97Å; K188-L227 PolarHBondContact NZ-O 3.43Å; K188-E232 VanDerWaalsContact NZ-CD 3.29Å; K188-E232 IonicContact NZ-OE1 2.95Å; K188-E232 PolarHBondContact NZ-OE1 2.93Å; K188-E232 IonicContact NZ-OE2 2.78Å; K188-E232 PolarHBondContact NZ-OE2 3.08Å; K188-F245 HydrophobicContact CG-CE2 3.89Å; K188-F245 HydrophobicContact CG-CZ 4.31Å; K188-G248 WeakPolarHBondContact CE-O 3.34Å
189D93.9Very high91Very high105 Ų10554.2 Ų54.256%0.56128%0.283SS*.Hα-helixtrans-69.3-40.8175-73.6-15.3000111.9L185 E187 M192 S193L185-D189 PolarHBondContact O-N 2.83Å; E187-D189 PolarHBondContact O-N 2.88Å; D189-M192 PolarHBondContact O-N 3.07Å; D189-S193 WeakPolarHBondContact O-CB 3.3Å; D189-S193 PolarHBondContact O-N 2.86Å
190F93.9Very high90.5Very high14 Ų1455.7 Ų55.76%0.06129%0.294CS..Hα-helixtrans-58.4-47.5171.7159.5-103.3000111.9Q148 Y150 Y155 E186 E187 S193 Q194Q148-F190 HydrophobicContact CG-CE2 4.38Å; Q148-F190 HydrophobicContact CG-CZ 4.18Å; Y150-F190 HydrophobicContact CD1-CB 3.85Å; Y150-F190 AromaticContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD2 4.03Å; Y150-F190 HydrophobicContact CD1-CE1 4.18Å; Y150-F190 AromaticContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD2-CB 4.04Å; Y150-F190 HydrophobicContact CD2-CD1 4.44Å; Y150-F190 AromaticContact CD2-CD2 3.33Å; Y150-F190 HydrophobicContact CD2-CD2 3.33Å; Y150-F190 AromaticContact CD2-CE2 3.86Å; Y150-F190 HydrophobicContact CD2-CE2 3.86Å; Y150-F190 AromaticContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CE1-CB 3.54Å; Y150-F190 HydrophobicContact CE1-CD1 4.15Å; Y150-F190 HydrophobicContact CE1-CD2 4.47Å; Y150-F190 AromaticContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE2-CB 3.74Å; Y150-F190 AromaticContact CE2-CD2 3.84Å; Y150-F190 HydrophobicContact CE2-CD2 3.84Å; Y150-F190 AromaticContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CG-CB 4.09Å; Y150-F190 AromaticContact CG-CD1 3.78Å; Y150-F190 HydrophobicContact CG-CD1 3.78Å; Y150-F190 AromaticContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CD2 3.44Å; Y150-F190 VanDerWaalsContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CE1 4.06Å; Y150-F190 AromaticContact CG-CE2 3.73Å; Y150-F190 HydrophobicContact CG-CE2 3.73Å; Y150-F190 AromaticContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CG 3.47Å; Y150-F190 VanDerWaalsContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CZ 4.05Å; Y150-F190 VanDerWaalsContact CZ-CB 3.49Å; Y155-F190 HydrophobicContact CD1-CE1 4.08Å; Y155-F190 AromaticContact CD2-CE1 3.63Å; Y155-F190 HydrophobicContact CD2-CE1 3.63Å; Y155-F190 AromaticContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CE1-CE1 4.16Å; Y155-F190 HydrophobicContact CE2-CD1 4.41Å; Y155-F190 AromaticContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CZ 4.4Å; Y155-F190 AromaticContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CZ 4.3Å; E186-F190 WeakPolarHBondContact O-CB 3.4Å; E186-F190 PolarHBondContact O-N 3.26Å; E187-F190 WeakPolarHBondContact O-CB 3.37Å; E187-F190 PolarHBondContact O-N 2.95Å; E187-F190 VanDerWaalsContact O-N 3.14Å; F190-S193 PolarHBondContact O-N 2.92Å; F190-S193 PolarHBondContact O-OG 3.38Å; F190-Q194 VanDerWaalsContact CD2-NE2 3.26Å; F190-Q194 HydrophobicContact CZ-CG 4.48Å; F190-Q194 WeakPolarHBondContact O-CG 3.33Å; F190-Q194 PolarHBondContact O-N 2.96Å; F190-Q194 PolarHBondContact O-NE2 2.98Å
191L93.9Very high90.3Very high0 Ų059.9 Ų59.90%031%0.312CS..Hα-helixtrans-61.1-46.8174.9-67.4-178.1000110.4Y155 F157 V180 I182 E187 S193 Q194 L197 F245 I262Y155-L191 HydrophobicContact CD1-CD2 4.3Å; Y155-L191 HydrophobicContact CE1-CD2 4.44Å; F157-L191 HydrophobicContact CE1-CD2 4.32Å; F157-L191 HydrophobicContact CZ-CD2 4.12Å; V180-L191 HydrophobicContact CG2-CD1 4.33Å; I182-L191 HydrophobicContact CD1-CD1 4.08Å; I182-L191 HydrophobicContact CG1-CD1 3.84Å; E187-L191 WeakPolarHBondContact O-CG 3.42Å; E187-L191 PolarHBondContact O-N 3.25Å; L191-S193 PolarHBondContact O-N 2.99Å; L191-Q194 PolarHBondContact O-N 3.46Å; L191-Q194 VanDerWaalsContact O-N 3.07Å; L191-L197 HydrophobicContact CB-CD1 3.76Å; L191-L197 HydrophobicContact CD2-CD1 4.1Å; L191-L197 HydrophobicContact CG-CD1 4.49Å; L191-L197 WeakPolarHBondContact O-CD1 3.38Å; L191-F245 HydrophobicContact CB-CE1 4.09Å; L191-F245 HydrophobicContact CB-CZ 4.03Å; L191-I262 HydrophobicContact CD2-CD1 4.17Å
192M91.9Very high90.3Very high110 Ų11058.6 Ų58.654%0.54231%0.307SS..Hα-helixtrans-57.9-32.8175.8-176.9171.6170.500113.2K188 D189 Q194 F245K188-M192 WeakPolarHBondContact O-CB 3.45Å; K188-M192 PolarHBondContact O-N 2.97Å; D189-M192 PolarHBondContact O-N 3.07Å; M192-Q194 VanDerWaalsContact C-N 3.3Å; M192-Q194 PolarHBondContact O-N 2.95Å; M192-F245 HydrophobicContact CB-CZ 4.34Å
193S91.6Very high90.4Very high80 Ų8058.5 Ų58.556%0.55931%0.306SS*.Hα-helixtrans-74.1-13178.376.80000114.7D189 F190 L191 P195D189-S193 WeakPolarHBondContact O-CB 3.3Å; D189-S193 PolarHBondContact O-N 2.86Å; F190-S193 PolarHBondContact O-N 2.92Å; F190-S193 PolarHBondContact O-OG 3.38Å; L191-S193 PolarHBondContact O-N 2.99Å; S193-P195 WeakPolarHBondContact O-CD 3.39Å
194Q90.6Very high90.6Very high22 Ų2254 Ų5410%0.10328%0.282CS..  trans-75.2126.4-177.7-59.7-41.5-51.800112F157 F190 L191 M192 L196 L197F157-Q194 HydrophobicContact CE1-CG 4.21Å; F157-Q194 HydrophobicContact CE2-CG 4.41Å; F157-Q194 HydrophobicContact CZ-CB 4.5Å; F157-Q194 HydrophobicContact CZ-CG 3.77Å; F190-Q194 VanDerWaalsContact CD2-NE2 3.26Å; F190-Q194 HydrophobicContact CZ-CG 4.48Å; F190-Q194 WeakPolarHBondContact O-CG 3.33Å; F190-Q194 PolarHBondContact O-N 2.96Å; F190-Q194 PolarHBondContact O-NE2 2.98Å; L191-Q194 PolarHBondContact O-N 3.46Å; L191-Q194 VanDerWaalsContact O-N 3.07Å; M192-Q194 VanDerWaalsContact C-N 3.3Å; M192-Q194 PolarHBondContact O-N 2.95Å; Q194-L196 PolarHBondContact O-N 2.81Å; Q194-L197 HydrophobicContact CB-CB 4.46Å; Q194-L197 HydrophobicContact CB-CD1 4.16Å; Q194-L197 HydrophobicContact CB-CG 4.49Å; Q194-L197 HydrophobicContact CG-CD1 4.45Å; Q194-L197 PolarHBondContact O-N 3.19Å
195P85.3Confident90.7Very high86 Ų8652.7 Ų52.756%0.55827%0.273SS*.G310 helixtrans-55.4-32.2-179-28.235.4000114.2S193 M198 F199S193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-M198 PolarHBondContact O-N 3.06Å; P195-F199 WeakPolarHBondContact O-CD2 3.46Å
196L80.8Confident90.9Very high80 Ų8048.5 Ų48.542%0.41925%0.251SS..G310 helixtrans-65.5-38.7178.6-60.2174.8000112.4F157 T159 Q194 M198 F199 S200 F202F157-L196 HydrophobicContact CB-CD1 3.75Å; F157-L196 HydrophobicContact CG-CD1 4.14Å; T159-L196 HydrophobicContact CG2-CD1 4.15Å; T159-L196 HydrophobicContact CG2-CD2 4.47Å; Q194-L196 PolarHBondContact O-N 2.81Å; L196-M198 PolarHBondContact O-N 2.87Å; L196-F199 PolarHBondContact O-N 3.4Å; L196-S200 PolarHBondContact O-N 3.02Å; L196-F202 HydrophobicContact CB-CE2 4.47Å; L196-F202 HydrophobicContact CB-CZ 4.04Å
197L79.9Confident91Very high1 Ų144.5 Ų44.51%0.00524%0.235CC..G310 helixtrans-75.8-6.9-178.9-77.2167.4000113.8F157 L191 Q194 F202 F245 K247 I262F157-L197 HydrophobicContact CE1-CD1 3.75Å; F157-L197 HydrophobicContact CE1-CG 4.25Å; L191-L197 HydrophobicContact CB-CD1 3.76Å; L191-L197 HydrophobicContact CD2-CD1 4.1Å; L191-L197 HydrophobicContact CG-CD1 4.49Å; L191-L197 WeakPolarHBondContact O-CD1 3.38Å; Q194-L197 HydrophobicContact CB-CB 4.46Å; Q194-L197 HydrophobicContact CB-CD1 4.16Å; Q194-L197 HydrophobicContact CB-CG 4.49Å; Q194-L197 HydrophobicContact CG-CD1 4.45Å; Q194-L197 PolarHBondContact O-N 3.19Å; L197-F202 HydrophobicContact CD2-CB 3.92Å; L197-F202 HydrophobicContact CD2-CD2 3.14Å; L197-F202 HydrophobicContact CD2-CE2 3.68Å; L197-F202 HydrophobicContact CD2-CG 3.69Å; L197-F202 HydrophobicContact CG-CD2 4.07Å; L197-F202 HydrophobicContact CG-CE2 4.12Å; L197-F245 HydrophobicContact CD1-CD1 4.25Å; L197-F245 HydrophobicContact CD1-CE1 4.31Å; L197-F245 HydrophobicContact CD2-CD1 3.79Å; L197-F245 HydrophobicContact CG-CD1 4.45Å; L197-K247 PolarHBondContact O-N 2.97Å; L197-I262 HydrophobicContact CD1-CD1 3.99Å; L197-I262 HydrophobicContact CD2-CD1 4Å; L197-I262 HydrophobicContact CG-CD1 4.48Å
198M74.6Confident91Very high102 Ų10247 Ų4750%0.50224%0.244SC..G310 helixtrans-82.4-23.6176-171.6150.654.900113P195 L196 K247P195-M198 PolarHBondContact O-N 3.06Å; L196-M198 PolarHBondContact O-N 2.87Å; M198-K247 WeakPolarHBondContact O-CE 3.32Å
199F76.7Confident91Very high162 Ų16248.6 Ų48.671%0.71125%0.254SS*.THydrogen-bonded Turntrans-116.5-24.1-176.2-58.5-71.7000114.2P195 L196P195-F199 WeakPolarHBondContact O-CD2 3.46Å; L196-F199 PolarHBondContact O-N 3.4Å
200S87.5Confident90.8Very high33 Ų3348.3 Ų48.323%0.23126%0.259CS..SBendtrans-116.9165.9-177.3-70.50000112.8L196L196-S200 PolarHBondContact O-N 3.02Å
201F92.9Very high90.6Very high87 Ų8752.4 Ų52.438%0.38229%0.29SS..  trans-102.9144.5173.1-33.6-100.3000108.6Y244 F245 Q246 I259 F260F201-Y244 HydrophobicContact CB-CD2 3.81Å; F201-Y244 HydrophobicContact CB-CE2 4.13Å; F201-Y244 HydrophobicContact CD1-CD2 4.24Å; F201-Y244 AromaticContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CG-CE2 4.33Å; F201-F245 WeakPolarHBondContact CA-O 3.3Å; F201-Q246 HydrophobicContact CD1-CB 4.08Å; F201-Q246 HydrophobicContact CD1-CG 3.95Å; F201-Q246 HydrophobicContact CE1-CG 4.4Å; F201-Q246 VanDerWaalsContact CE1-OE1 3.32Å; F201-I259 VanDerWaalsContact C-CG2 3.42Å; F201-I259 HydrophobicContact CB-CG2 3.71Å; F201-I259 WeakPolarHBondContact O-CG2 3.33Å; F201-F260 WeakPolarHBondContact O-CB 3.36Å
202F97.5Very high90.1Very high0 Ų054.4 Ų54.40%031%0.311CS..EExtended strand (participates in β ladder)trans-138132.9-178.9-68.8-106.8000112.5F157 T159 L196 L197 Y244 F245 F260 I262F157-F202 HydrophobicContact CB-CE1 4.34Å; F157-F202 HydrophobicContact CD1-CE1 4.25Å; T159-F202 HydrophobicContact CG2-CE1 3.67Å; T159-F202 HydrophobicContact CG2-CZ 3.61Å; L196-F202 HydrophobicContact CB-CE2 4.47Å; L196-F202 HydrophobicContact CB-CZ 4.04Å; L197-F202 HydrophobicContact CD2-CB 3.92Å; L197-F202 HydrophobicContact CD2-CD2 3.14Å; L197-F202 HydrophobicContact CD2-CE2 3.68Å; L197-F202 HydrophobicContact CD2-CG 3.69Å; L197-F202 HydrophobicContact CG-CD2 4.07Å; L197-F202 HydrophobicContact CG-CE2 4.12Å; F202-Y244 CarbonylContact O-C 3.58Å; F202-Y244 WeakPolarHBondContact O-CA 3.46Å; F202-Y244 VanDerWaalsContact O-CB 3.3Å; F202-Y244 WeakPolarHBondContact O-CB 3.47Å; F202-F245 PolarHBondContact N-O 2.79Å; F202-F245 PolarHBondContact O-N 2.96Å; F202-F260 CarbonylContact C-O 3.56Å; F202-F260 VanDerWaalsContact CA-O 3.32Å; F202-F260 WeakPolarHBondContact CA-O 3.36Å; F202-F260 HydrophobicContact CD1-CB 3.59Å; F202-F260 HydrophobicContact CE1-CB 3.68Å; F202-F260 HydrophobicContact CE1-CG 4.48Å; F202-F260 HydrophobicContact CG-CB 4.06Å; F202-F260 HydrophobicContact CZ-CB 4.25Å; F202-I262 HydrophobicContact CB-CD1 3.96Å; F202-I262 HydrophobicContact CB-CG1 3.9Å; F202-I262 HydrophobicContact CD1-CD1 4.42Å; F202-I262 HydrophobicContact CD1-CG1 3.72Å; F202-I262 HydrophobicContact CG-CD1 4.29Å; F202-I262 HydrophobicContact CG-CG1 4.05Å
203W98.5Very high89.9Confident0 Ų058.8 Ų58.80%032%0.321CS..EExtended strand (participates in β ladder)trans-59.7138.8173-70.5127.8000112.6K163 W165 L179 C242 Y244 R254 A257 I259 F260 W261K163-W203 PolarHBondContact O-NE1 3.43Å; W165-W203 HydrophobicContact CB-CD2 4.03Å; W165-W203 HydrophobicContact CB-CE3 4.42Å; W165-W203 HydrophobicContact CB-CG 4.4Å; W165-W203 HydrophobicContact CB-CZ2 4.17Å; W165-W203 AromaticContact CD1-CD2 3.77Å; W165-W203 AromaticContact CD1-CE3 3.77Å; W165-W203 AromaticContact CD1-CG 3.9Å; W165-W203 HydrophobicContact CG-CD2 4.34Å; L179-W203 HydrophobicContact CD2-CB 4.35Å; W203-C242 HydrophobicContact CE3-CB 4.07Å; W203-C242 HydrophobicContact CH2-CB 4.12Å; W203-C242 HydrophobicContact CZ3-CB 3.63Å; W203-C242 WeakPolarHBondContact CZ3-O 3.31Å; W203-Y244 HydrophobicContact CZ3-CD1 4.35Å; W203-R254 WeakPolarHBondContact CH2-O 3.3Å; W203-A257 HydrophobicContact CH2-CB 4.37Å; W203-A257 HydrophobicContact CZ2-CB 4.15Å; W203-A257 WeakPolarHBondContact CZ2-O 3.38Å; W203-I259 HydrophobicContact CD2-CB 4.18Å; W203-I259 HydrophobicContact CD2-CD1 4.16Å; W203-I259 HydrophobicContact CD2-CG1 4.47Å; W203-I259 HydrophobicContact CE3-CD1 4.17Å; W203-I259 HydrophobicContact CG-CB 4.32Å; W203-I259 HydrophobicContact CH2-CD1 3.58Å; W203-I259 HydrophobicContact CH2-CG1 4.3Å; W203-I259 HydrophobicContact CZ2-CB 4.2Å; W203-I259 HydrophobicContact CZ2-CD1 3.55Å; W203-I259 HydrophobicContact CZ2-CG1 3.75Å; W203-I259 HydrophobicContact CZ3-CD1 3.88Å; W203-F260 PolarHBondContact N-O 3.07Å; W203-W261 HydrophobicContact CB-CB 3.96Å
204L98Very high90Very high0 Ų057.2 Ų57.20%031%0.31CS..EExtended strand (participates in β ladder)trans-105.2162.2170.2-62176000109.9W165 V180 I182 L206 W217 A243 F245 I250W165-L204 PolarHBondContact NE1-O 2.92Å; V180-L204 HydrophobicContact CG1-CD2 3.44Å; V180-L204 VanDerWaalsContact CG1-CD2 3.44Å; I182-L204 HydrophobicContact CD1-CD1 4Å; I182-L204 HydrophobicContact CD1-CD2 4.04Å; I182-L204 HydrophobicContact CG1-CD2 4.37Å; L204-L206 PolarHBondContact O-N 2.97Å; L204-W217 HydrophobicContact CB-CZ3 4.17Å; L204-A243 HydrophobicContact CD1-CB 4.47Å; L204-A243 PolarHBondContact N-O 3.3Å; L204-F245 HydrophobicContact CD1-CB 4.18Å; L204-F245 HydrophobicContact CD2-CB 3.97Å; L204-F245 HydrophobicContact CG-CB 4.13Å; L204-I250 HydrophobicContact CD1-CD1 4.25Å; L204-I250 HydrophobicContact CD1-CG1 3.96Å; L204-I250 HydrophobicContact CD1-CG2 4.02Å
205G98.1Very high90.2Very high0 Ų056.8 Ų56.80%031%0.308CS..EExtended strand (participates in β ladder)trans-70.65.7174.800000115.6L179 V180 W217 E218L179-G205 VanDerWaalsContact CB-CA 3.48Å; V180-G205 PolarHBondContact O-N 2.87Å; G205-W217 CarbonylContact O-C 3.54Å; G205-W217 WeakPolarHBondContact O-CA 3.24Å; G205-E218 WeakPolarHBondContact O-CG 3.5Å; G205-E218 PolarHBondContact O-N 3.26Å
206L97.6Very high90.8Very high0 Ų055.6 Ų55.60%029%0.294CS..EExtended strand (participates in β ladder)trans-92.7120.8-176.7177.863.3000111.1L204 W215 F216 W217 P223 F228 I236 A243L204-L206 PolarHBondContact O-N 2.97Å; L206-W215 HydrophobicContact CD1-CB 4.06Å; L206-W215 HydrophobicContact CD1-CE3 3.98Å; L206-W215 HydrophobicContact CG-CE3 3.77Å; L206-W215 HydrophobicContact CG-CZ3 4.25Å; L206-F216 WeakPolarHBondContact CA-O 3.41Å; L206-W217 HydrophobicContact CB-CD2 4Å; L206-W217 HydrophobicContact CB-CE3 3.59Å; L206-W217 HydrophobicContact CB-CH2 3.92Å; L206-W217 HydrophobicContact CB-CZ2 4.32Å; L206-W217 HydrophobicContact CB-CZ3 3.55Å; L206-W217 HydrophobicContact CD1-CD2 4.23Å; L206-W217 HydrophobicContact CD1-CG 4.5Å; L206-W217 HydrophobicContact CD2-CH2 4.33Å; L206-W217 HydrophobicContact CD2-CZ2 4.25Å; L206-P223 HydrophobicContact CD1-CB 4.2Å; L206-P223 HydrophobicContact CD1-CG 4.04Å; L206-F228 HydrophobicContact CD2-CE1 3.98Å; L206-F228 HydrophobicContact CD2-CZ 3.93Å; L206-I236 HydrophobicContact CD2-CD1 4.4Å; L206-A243 HydrophobicContact CB-CB 3.86Å; L206-A243 HydrophobicContact CD2-CB 3.98Å; L206-A243 HydrophobicContact CG-CB 3.98Å; L206-A243 WeakPolarHBondContact O-CB 3.41Å; L206-A243 PolarHBondContact O-N 3.3Å
207S97.6Very high91.6Very high26 Ų2652.2 Ų52.218%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-139.9156.5-177.868.60000112.9W215 F216S207-W215 WeakPolarHBondContact O-CA 3.17Å; S207-F216 PolarHBondContact N-O 3.24Å; S207-F216 PolarHBondContact O-N 2.98Å
208W96.8Very high92.3Very high62 Ų6254 Ų5424%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-83.7117174.2174.3-90.1000110.9R213 W215 K240 G241W208-R213 HydrophobicContact CH2-CB 4.15Å; W208-R213 WeakPolarHBondContact CH2-O 3.25Å; W208-R213 VanDerWaalsContact CZ2-C 3.41Å; W208-R213 VanDerWaalsContact CZ2-CA 3.43Å; W208-R213 HydrophobicContact CZ2-CB 3.85Å; W208-W215 HydrophobicContact CB-CD2 4.27Å; W208-W215 HydrophobicContact CB-CE3 4.39Å; W208-W215 HydrophobicContact CB-CH2 4.27Å; W208-W215 HydrophobicContact CB-CZ2 4.12Å; W208-W215 HydrophobicContact CB-CZ3 4.41Å; W208-W215 AromaticContact CE3-CD1 3.47Å; W208-W215 VanDerWaalsContact CE3-CD1 3.47Å; W208-W215 HydrophobicContact CE3-CD2 4.31Å; W208-W215 AromaticContact CE3-CE2 3.93Å; W208-W215 HydrophobicContact CE3-CG 4.04Å; W208-W215 AromaticContact CE3-NE1 3.39Å; W208-W215 AromaticContact CZ3-CD1 3.8Å; W208-W215 AromaticContact CZ3-NE1 3.88Å; W208-K240 HydrophobicContact CB-CB 4.32Å; W208-K240 HydrophobicContact CD2-CB 4.22Å; W208-K240 HydrophobicContact CD2-CD 4.41Å; W208-K240 HydrophobicContact CD2-CG 3.81Å; W208-K240 HydrophobicContact CE3-CG 4.45Å; W208-K240 HydrophobicContact CG-CB 3.85Å; W208-K240 HydrophobicContact CG-CG 3.97Å; W208-K240 HydrophobicContact CZ2-CD 4.12Å; W208-K240 HydrophobicContact CZ2-CG 4.17Å; W208-G241 WeakPolarHBondContact CB-O 3.47Å; W208-G241 PolarHBondContact N-O 3.32Å
209D93.9Very high93.3Very high51 Ų5153.8 Ų53.827%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-80.7122.5166.817632.6000111.1S211 G212 R213 S214 F216D209-S211 VanDerWaalsContact C-N 3.3Å; D209-S211 VanDerWaalsContact CG-N 3.32Å; D209-S211 PolarHBondContact O-N 2.73Å; D209-S211 PolarHBondContact OD1-N 3.12Å; D209-S211 PolarHBondContact OD1-OG 2.65Å; D209-S211 WeakPolarHBondContact OD2-CB 3.1Å; D209-S211 PolarHBondContact OD2-N 2.63Å; D209-S211 PolarHBondContact OD2-OG 3.41Å; D209-G212 PolarHBondContact OD2-N 3.33Å; D209-R213 VanDerWaalsContact O-CA 3.31Å; D209-R213 WeakPolarHBondContact O-CA 3.47Å; D209-R213 PolarHBondContact O-N 3.4Å; D209-R213 VanDerWaalsContact O-N 3.14Å; D209-S214 PolarHBondContact N-O 3.46Å; D209-S214 PolarHBondContact O-N 3.15Å; D209-F216 HydrophobicContact CB-CD2 3.77Å; D209-F216 HydrophobicContact CB-CE2 3.98Å
210S89Confident94.2Very high98 Ų9848.4 Ų48.469%0.68528%0.275SS*.THydrogen-bonded Turntrans-67.2-26.1174.269.80000114.1
211S88.8Confident94.5Very high100 Ų10048.7 Ų48.770%0.69928%0.277SS*.THydrogen-bonded Turntrans-81.1-54.4-172.485.60000112.4D209 R213D209-S211 VanDerWaalsContact C-N 3.3Å; D209-S211 VanDerWaalsContact CG-N 3.32Å; D209-S211 PolarHBondContact O-N 2.73Å; D209-S211 PolarHBondContact OD1-N 3.12Å; D209-S211 PolarHBondContact OD1-OG 2.65Å; D209-S211 WeakPolarHBondContact OD2-CB 3.1Å; D209-S211 PolarHBondContact OD2-N 2.63Å; D209-S211 PolarHBondContact OD2-OG 3.41Å; S211-R213 VanDerWaalsContact C-N 3.3Å
212G84Confident94.6Very high43 Ų4349.3 Ų49.344%0.44329%0.288SS..THydrogen-bonded Turntrans-83.2-0.6174.200000114.2D209 S214D209-G212 PolarHBondContact OD2-N 3.33Å; G212-S214 PolarHBondContact O-N 2.95Å; G212-S214 PolarHBondContact O-OG 3.31Å
213R88.6Confident94.4Very high201 Ų20150.1 Ų50.176%0.75829%0.293SS*.THydrogen-bonded Turntrans48.445.7-179.4-55.3-177.1-176.4-164.52.7112.6W208 D209 S211W208-R213 HydrophobicContact CH2-CB 4.15Å; W208-R213 WeakPolarHBondContact CH2-O 3.25Å; W208-R213 VanDerWaalsContact CZ2-C 3.41Å; W208-R213 VanDerWaalsContact CZ2-CA 3.43Å; W208-R213 HydrophobicContact CZ2-CB 3.85Å; D209-R213 VanDerWaalsContact O-CA 3.31Å; D209-R213 WeakPolarHBondContact O-CA 3.47Å; D209-R213 PolarHBondContact O-N 3.4Å; D209-R213 VanDerWaalsContact O-N 3.14Å; S211-R213 VanDerWaalsContact C-N 3.3Å
214S93.6Very high94.1Very high47 Ų4752.7 Ų52.733%0.32931%0.311SS..EExtended strand (participates in β ladder)trans-144.4158.7-171.5-65.10000110.3D209 G212D209-S214 PolarHBondContact N-O 3.46Å; D209-S214 PolarHBondContact O-N 3.15Å; G212-S214 PolarHBondContact O-N 2.95Å; G212-S214 PolarHBondContact O-OG 3.31Å
215W95.6Very high93.8Very high13 Ų1356.8 Ų56.85%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-88.2138171.3-75.492.2000110.8L206 S207 W208 P223 I236 G241 A243 I252L206-W215 HydrophobicContact CD1-CB 4.06Å; L206-W215 HydrophobicContact CD1-CE3 3.98Å; L206-W215 HydrophobicContact CG-CE3 3.77Å; L206-W215 HydrophobicContact CG-CZ3 4.25Å; S207-W215 WeakPolarHBondContact O-CA 3.17Å; W208-W215 HydrophobicContact CB-CD2 4.27Å; W208-W215 HydrophobicContact CB-CE3 4.39Å; W208-W215 HydrophobicContact CB-CH2 4.27Å; W208-W215 HydrophobicContact CB-CZ2 4.12Å; W208-W215 HydrophobicContact CB-CZ3 4.41Å; W208-W215 AromaticContact CE3-CD1 3.47Å; W208-W215 VanDerWaalsContact CE3-CD1 3.47Å; W208-W215 HydrophobicContact CE3-CD2 4.31Å; W208-W215 AromaticContact CE3-CE2 3.93Å; W208-W215 HydrophobicContact CE3-CG 4.04Å; W208-W215 AromaticContact CE3-NE1 3.39Å; W208-W215 AromaticContact CZ3-CD1 3.8Å; W208-W215 AromaticContact CZ3-NE1 3.88Å; W215-P223 HydrophobicContact CB-CG 3.93Å; W215-P223 WeakPolarHBondContact O-CD 3.37Å; W215-I236 HydrophobicContact CB-CG2 4.49Å; W215-I236 HydrophobicContact CD2-CG2 4.16Å; W215-I236 HydrophobicContact CG-CG2 3.79Å; W215-I236 PolarHBondContact NE1-O 2.96Å; W215-G241 WeakPolarHBondContact CH2-O 3.48Å; W215-A243 HydrophobicContact CZ3-CB 4.28Å; W215-I252 HydrophobicContact CH2-CD1 3.99Å; W215-I252 HydrophobicContact CH2-CG1 3.86Å; W215-I252 HydrophobicContact CH2-CG2 3.87Å; W215-I252 HydrophobicContact CZ2-CD1 3.7Å; W215-I252 HydrophobicContact CZ2-CG1 4.11Å; W215-I252 HydrophobicContact CZ2-CG2 4.22Å
216F96.3Very high93.6Very high62 Ų6260.9 Ų60.927%0.27237%0.366SS..EExtended strand (participates in β ladder)trans-138.9147.2177.1-62.7-76000111.5L206 S207 D209 G220 S221 V222L206-F216 WeakPolarHBondContact CA-O 3.41Å; S207-F216 PolarHBondContact N-O 3.24Å; S207-F216 PolarHBondContact O-N 2.98Å; D209-F216 HydrophobicContact CB-CD2 3.77Å; D209-F216 HydrophobicContact CB-CE2 3.98Å; F216-G220 WeakPolarHBondContact CD1-O 3.26Å; F216-S221 WeakPolarHBondContact CA-O 3.44Å; F216-V222 HydrophobicContact CD1-CG2 4.07Å; F216-V222 HydrophobicContact CE1-CG2 3.74Å
217W97.3Very high93.3Very high8 Ų861.7 Ų61.73%0.0337%0.371CS..  trans-76.1167.9160.4-64.2108.6000110.7K181 I182 L204 G205 L206 D219 G220 S221 F228K181-W217 HydrophobicContact CB-CD2 4.33Å; K181-W217 HydrophobicContact CB-CE3 3.94Å; K181-W217 HydrophobicContact CB-CZ3 4.33Å; K181-W217 HydrophobicContact CD-CB 3.86Å; K181-W217 HydrophobicContact CD-CD2 4.26Å; K181-W217 HydrophobicContact CD-CG 3.92Å; K181-W217 HydrophobicContact CG-CB 4.21Å; K181-W217 HydrophobicContact CG-CD2 3.65Å; K181-W217 HydrophobicContact CG-CE3 3.77Å; K181-W217 HydrophobicContact CG-CG 3.85Å; K181-W217 HydrophobicContact CG-CZ3 4.34Å; I182-W217 HydrophobicContact CB-CH2 3.92Å; I182-W217 HydrophobicContact CB-CZ2 4.23Å; I182-W217 HydrophobicContact CG1-CH2 4.25Å; I182-W217 VanDerWaalsContact N-CH2 3.33Å; L204-W217 HydrophobicContact CB-CZ3 4.17Å; G205-W217 CarbonylContact O-C 3.54Å; G205-W217 WeakPolarHBondContact O-CA 3.24Å; L206-W217 HydrophobicContact CB-CD2 4Å; L206-W217 HydrophobicContact CB-CE3 3.59Å; L206-W217 HydrophobicContact CB-CH2 3.92Å; L206-W217 HydrophobicContact CB-CZ2 4.32Å; L206-W217 HydrophobicContact CB-CZ3 3.55Å; L206-W217 HydrophobicContact CD1-CD2 4.23Å; L206-W217 HydrophobicContact CD1-CG 4.5Å; L206-W217 HydrophobicContact CD2-CH2 4.33Å; L206-W217 HydrophobicContact CD2-CZ2 4.25Å; W217-D219 VanDerWaalsContact CB-OD1 3.3Å; W217-D219 WeakPolarHBondContact CB-OD1 3.42Å; W217-D219 PolarHBondContact O-N 3.46Å; W217-G220 PolarHBondContact O-N 2.86Å; W217-S221 PolarHBondContact N-O 3.04Å; W217-F228 HydrophobicContact CZ2-CZ 4.25Å
218E96.1Very high93.1Very high39 Ų3961.2 Ų61.218%0.18237%0.365CS..THydrogen-bonded Turntrans-64.6-21.5-177.1-61.9-154.9179.700114.9R169 T178 L179 G205R169-E218 WeakPolarHBondContact CD-OE1 3.4Å; R169-E218 VanDerWaalsContact CG-OE1 3.23Å; R169-E218 WeakPolarHBondContact CG-OE1 3.04Å; R169-E218 IonicContact CZ-OE2 2.67Å; R169-E218 IonicContact NE-OE1 2.6Å; R169-E218 PolarHBondContact NE-OE1 3.45Å; R169-E218 IonicContact NE-OE2 2.73Å; R169-E218 PolarHBondContact NE-OE2 2.04Å; R169-E218 IonicContact NH2-OE2 2.75Å; T178-E218 HydrophobicContact CG2-CB 4.35Å; L179-E218 WeakPolarHBondContact CB-OE1 3.33Å; L179-E218 WeakPolarHBondContact CD1-OE1 3.03Å; L179-E218 WeakPolarHBondContact CG-OE1 3.5Å; G205-E218 WeakPolarHBondContact O-CG 3.5Å; G205-E218 PolarHBondContact O-N 3.26Å
219D94.8Very high93Very high98 Ų9861.4 Ų61.452%0.52437%0.373SS..THydrogen-bonded Turntrans-80.7-1.7173.268.2-12.5000113.1K181 W217 S221K181-D219 VanDerWaalsContact CE-OD2 3.25Å; K181-D219 WeakPolarHBondContact CE-OD2 3.15Å; K181-D219 IonicContact NZ-OD2 3.12Å; K181-D219 PolarHBondContact NZ-OD2 2.96Å; W217-D219 VanDerWaalsContact CB-OD1 3.3Å; W217-D219 WeakPolarHBondContact CB-OD1 3.42Å; W217-D219 PolarHBondContact O-N 3.46Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 VanDerWaalsContact OD1-CB 3.3Å; D219-S221 WeakPolarHBondContact OD1-CB 3.26Å; D219-S221 PolarHBondContact OD1-N 3.43Å
220G94.8Very high92.9Very high49 Ų4964 Ų6451%0.50539%0.391SS..SBendtrans81.55.3-175.700000114.3F216 W217F216-G220 WeakPolarHBondContact CD1-O 3.26Å; W217-G220 PolarHBondContact O-N 2.86Å
221S95.4Very high93.1Very high39 Ų3967.2 Ų67.227%0.27339%0.393SS..PPolyproline II helixtrans-74.4144.6175.7112.40000111.2K181 F216 W217 D219K181-S221 WeakPolarHBondContact CE-OG 3.3Å; F216-S221 WeakPolarHBondContact CA-O 3.44Å; W217-S221 PolarHBondContact N-O 3.04Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 VanDerWaalsContact OD1-CB 3.3Å; D219-S221 WeakPolarHBondContact OD1-CB 3.26Å; D219-S221 PolarHBondContact OD1-N 3.43Å
222V93.9Very high93.4Very high99 Ų9962.5 Ų62.560%0.636%0.36SS*.PPolyproline II helixtrans-78139.7173.3178.70000108.8F216 S224F216-V222 HydrophobicContact CD1-CG2 4.07Å; F216-V222 HydrophobicContact CE1-CG2 3.74Å; V222-S224 PolarHBondContact O-N 2.82Å
223P92.9Very high93.9Very high17 Ų1762.6 Ų62.611%0.1135%0.35CS..PPolyproline II helixtrans-60.3123.3174.223.8-34.7000111.9L206 W215 P225 F228L206-P223 HydrophobicContact CD1-CB 4.2Å; L206-P223 HydrophobicContact CD1-CG 4.04Å; W215-P223 HydrophobicContact CB-CG 3.93Å; W215-P223 WeakPolarHBondContact O-CD 3.37Å; P223-P225 WeakPolarHBondContact O-CD 3.01Å; P223-F228 HydrophobicContact CB-CE2 3.52Å; P223-F228 HydrophobicContact CB-CZ 3.64Å
224S93.5Very high94Very high55 Ų5558 Ų5839%0.38534%0.34SS..PPolyproline II helixtrans-70.5124.3174.6-179.50000110.6V222 S226 L227 F228V222-S224 PolarHBondContact O-N 2.82Å; S224-S226 PolarHBondContact O-N 3.43Å; S224-S226 PolarHBondContact OG-OG 3.24Å; S224-L227 PolarHBondContact O-N 2.95Å; S224-L227 VanDerWaalsContact O-N 3.12Å; S224-F228 WeakPolarHBondContact O-CD2 3.01Å; S224-F228 WeakPolarHBondContact O-CE2 3.41Å
225P91.9Very high93.8Very high85 Ų8558.8 Ų58.855%0.55234%0.339SS*.G310 helixtrans-57.9-22.3-178.6-2735.5000115P223 L227 F228 L233P223-P225 WeakPolarHBondContact O-CD 3.01Å; P225-L227 PolarHBondContact O-N 3.45Å; P225-F228 PolarHBondContact O-N 2.96Å; P225-L233 HydrophobicContact CB-CD1 4.25Å; P225-L233 HydrophobicContact CB-CD2 4.28Å
226S92.8Very high93.6Very high86 Ų8658.5 Ų58.560%0.60134%0.338SS*.G310 helixtrans-66.5-17.5178.559.90000114.7S224S224-S226 PolarHBondContact O-N 3.43Å; S224-S226 PolarHBondContact OG-OG 3.24Å
227L91.7Very high93.2Very high18 Ų1861.8 Ų61.89%0.09436%0.358CS..G310 helixtrans-91.1-3.8-178.9-58.6175.8000113I182 L185 K188 S224 P225I182-L227 WeakPolarHBondContact O-CD1 3.34Å; L185-L227 HydrophobicContact CD2-CD2 4.11Å; L185-L227 HydrophobicContact CG-CD2 4.15Å; K188-L227 PolarHBondContact NZ-O 3.43Å; S224-L227 PolarHBondContact O-N 2.95Å; S224-L227 VanDerWaalsContact O-N 3.12Å; P225-L227 PolarHBondContact O-N 3.45Å
228F93.4Very high92.7Very high16 Ų1664.6 Ų64.67%0.0739%0.39CS..SBendtrans-123.2136.1-173.3-57.9-93.5000110.4L206 W217 P223 S224 P225 E232 L233 I236 I250L206-F228 HydrophobicContact CD2-CE1 3.98Å; L206-F228 HydrophobicContact CD2-CZ 3.93Å; W217-F228 HydrophobicContact CZ2-CZ 4.25Å; P223-F228 HydrophobicContact CB-CE2 3.52Å; P223-F228 HydrophobicContact CB-CZ 3.64Å; S224-F228 WeakPolarHBondContact O-CD2 3.01Å; S224-F228 WeakPolarHBondContact O-CE2 3.41Å; P225-F228 PolarHBondContact O-N 2.96Å; F228-E232 HydrophobicContact CB-CB 4.02Å; F228-E232 HydrophobicContact CD1-CB 4.06Å; F228-L233 HydrophobicContact CB-CD1 4.47Å; F228-L233 HydrophobicContact CB-CD2 3.65Å; F228-L233 HydrophobicContact CB-CG 3.67Å; F228-L233 HydrophobicContact CD2-CD2 4.28Å; F228-L233 HydrophobicContact CG-CD2 4.1Å; F228-I236 HydrophobicContact CD1-CD1 3.41Å; F228-I236 VanDerWaalsContact CD1-CD1 3.41Å; F228-I236 HydrophobicContact CE1-CD1 3.38Å; F228-I236 HydrophobicContact CG-CD1 4.2Å; F228-I236 HydrophobicContact CZ-CD1 4.19Å; F228-I250 HydrophobicContact CD1-CD1 3.76Å; F228-I250 HydrophobicContact CE1-CD1 3.41Å; F228-I250 VanDerWaalsContact CE1-CD1 3.41Å; F228-I250 HydrophobicContact CE1-CG2 4.37Å; F228-I250 HydrophobicContact CZ-CD1 4.27Å
229T93.9Very high92.4Very high66 Ų6665 Ų6541%0.40540%0.397SS..  trans-66.6159.7165.7640000110.2K231 E232 L233T229-K231 PolarHBondContact O-N 3.05Å; T229-K231 VanDerWaalsContact O-N 3.15Å; T229-E232 WeakPolarHBondContact CB-OE2 3.22Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T229-E232 PolarHBondContact N-OE2 3.29Å; T229-E232 PolarHBondContact O-N 3.24Å; T229-E232 WeakPolarHBondContact OG1-CG 3.29Å; T229-E232 PolarHBondContact OG1-N 3.01Å; T229-E232 PolarHBondContact OG1-OE2 3.24Å; T229-L233 PolarHBondContact O-N 3.38Å
230T93.6Very high92.4Very high105 Ų10567.4 Ų67.464%0.64440%0.403SS*.Hα-helixtrans-51.5-40.8176.4-43.10000112.3E232 L233 D234T230-E232 PolarHBondContact O-N 2.82Å; T230-L233 PolarHBondContact O-N 3.48Å; T230-D234 WeakPolarHBondContact O-CB 3.36Å; T230-D234 PolarHBondContact O-N 2.91Å
231K92.9Very high92.5Very high165 Ų16565.6 Ų65.672%0.71739%0.385SS*.Hα-helixtrans-68.8-30.5178.9-65.1-177.8-180178.20113.8T229 Q235T229-K231 PolarHBondContact O-N 3.05Å; T229-K231 VanDerWaalsContact O-N 3.15Å; K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 2.87Å; K231-Q235 PolarHBondContact O-NE2 3.34Å
232E94.9Very high92.6Very high2 Ų263.9 Ų63.91%0.00937%0.372CS..Hα-helixtrans-74.1-42.7173.6-68.3165.1122.300109.8K188 F228 T229 T230 Q235 I236 I250K188-E232 VanDerWaalsContact NZ-CD 3.29Å; K188-E232 IonicContact NZ-OE1 2.95Å; K188-E232 PolarHBondContact NZ-OE1 2.93Å; K188-E232 IonicContact NZ-OE2 2.78Å; K188-E232 PolarHBondContact NZ-OE2 3.08Å; F228-E232 HydrophobicContact CB-CB 4.02Å; F228-E232 HydrophobicContact CD1-CB 4.06Å; T229-E232 WeakPolarHBondContact CB-OE2 3.22Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T229-E232 PolarHBondContact N-OE2 3.29Å; T229-E232 PolarHBondContact O-N 3.24Å; T229-E232 WeakPolarHBondContact OG1-CG 3.29Å; T229-E232 PolarHBondContact OG1-N 3.01Å; T229-E232 PolarHBondContact OG1-OE2 3.24Å; T230-E232 PolarHBondContact O-N 2.82Å; E232-Q235 PolarHBondContact O-N 2.84Å; E232-I236 WeakPolarHBondContact O-CB 3.4Å; E232-I236 VanDerWaalsContact O-CG1 3.26Å; E232-I236 WeakPolarHBondContact O-CG1 3.39Å; E232-I236 PolarHBondContact O-N 2.85Å; E232-I250 HydrophobicContact CG-CB 4.26Å; E232-I250 WeakPolarHBondContact OE1-CB 3.34Å; E232-I250 WeakPolarHBondContact OE1-CG1 3.46Å; E232-I250 PolarHBondContact OE1-N 2.8Å
233L93.1Very high92.8Very high44 Ų4459.1 Ų59.123%0.2334%0.344CS..Hα-helixtrans-61.6-43.3175.1-68.6174.7000112.8P225 F228 T229 T230 Q235 I236 N237P225-L233 HydrophobicContact CB-CD1 4.25Å; P225-L233 HydrophobicContact CB-CD2 4.28Å; F228-L233 HydrophobicContact CB-CD1 4.47Å; F228-L233 HydrophobicContact CB-CD2 3.65Å; F228-L233 HydrophobicContact CB-CG 3.67Å; F228-L233 HydrophobicContact CD2-CD2 4.28Å; F228-L233 HydrophobicContact CG-CD2 4.1Å; T229-L233 PolarHBondContact O-N 3.38Å; T230-L233 PolarHBondContact O-N 3.48Å; L233-Q235 VanDerWaalsContact C-N 3.3Å; L233-Q235 PolarHBondContact O-N 2.94Å; L233-I236 PolarHBondContact O-N 2.79Å; L233-N237 WeakPolarHBondContact O-CB 3.46Å; L233-N237 VanDerWaalsContact O-CG 3.23Å; L233-N237 PolarHBondContact O-N 2.91Å; L233-N237 PolarHBondContact O-ND2 3.03Å; L233-N237 VanDerWaalsContact O-ND2 3.11Å
234D91.6Very high92.9Very high104 Ų10460.1 Ų60.156%0.55635%0.346SS*.Hα-helixtrans-60.1-40.9177.3-69-26.6000111.5T230 G238T230-D234 WeakPolarHBondContact O-CB 3.36Å; T230-D234 PolarHBondContact O-N 2.91Å; D234-G238 PolarHBondContact O-N 3.07Å
235Q90.3Very high93Very high64 Ų6457.5 Ų57.530%0.29933%0.327SS..Hα-helixtrans-65.3-48174.6-74.4175.492.900111.7K231 E232 L233 G238 S239 I252K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 2.87Å; K231-Q235 PolarHBondContact O-NE2 3.34Å; E232-Q235 PolarHBondContact O-N 2.84Å; L233-Q235 VanDerWaalsContact C-N 3.3Å; L233-Q235 PolarHBondContact O-N 2.94Å; Q235-G238 PolarHBondContact O-N 3.14Å; Q235-S239 WeakPolarHBondContact O-CB 3.27Å; Q235-S239 PolarHBondContact O-N 3.13Å; Q235-S239 PolarHBondContact O-OG 2.78Å; Q235-I252 HydrophobicContact CB-CD1 3.98Å; Q235-I252 VanDerWaalsContact O-CD1 3.25Å; Q235-I252 WeakPolarHBondContact O-CD1 3.16Å
236I89.9Confident93Very high8 Ų855 Ų554%0.04131%0.308CS..Hα-helixtrans-60.4-47.7-179.7-72169.3000110.5L206 W215 F228 E232 L233 G238 I252L206-I236 HydrophobicContact CD2-CD1 4.4Å; W215-I236 HydrophobicContact CB-CG2 4.49Å; W215-I236 HydrophobicContact CD2-CG2 4.16Å; W215-I236 HydrophobicContact CG-CG2 3.79Å; W215-I236 PolarHBondContact NE1-O 2.96Å; F228-I236 HydrophobicContact CD1-CD1 3.41Å; F228-I236 VanDerWaalsContact CD1-CD1 3.41Å; F228-I236 HydrophobicContact CE1-CD1 3.38Å; F228-I236 HydrophobicContact CG-CD1 4.2Å; F228-I236 HydrophobicContact CZ-CD1 4.19Å; E232-I236 WeakPolarHBondContact O-CB 3.4Å; E232-I236 VanDerWaalsContact O-CG1 3.26Å; E232-I236 WeakPolarHBondContact O-CG1 3.39Å; E232-I236 PolarHBondContact O-N 2.85Å; L233-I236 PolarHBondContact O-N 2.79Å; I236-G238 VanDerWaalsContact C-N 3.35Å; I236-G238 PolarHBondContact O-N 2.91Å; I236-I252 HydrophobicContact CB-CD1 4.4Å; I236-I252 HydrophobicContact CG1-CD1 3.94Å
237N88.2Confident92.7Very high130 Ų13056.6 Ų56.670%0.69530%0.304SS*.Hα-helixtrans-69.2-31.4179.4-66.9-32.9000113L233L233-N237 WeakPolarHBondContact O-CB 3.46Å; L233-N237 VanDerWaalsContact O-CG 3.23Å; L233-N237 PolarHBondContact O-N 2.91Å; L233-N237 PolarHBondContact O-ND2 3.03Å; L233-N237 VanDerWaalsContact O-ND2 3.11Å
238G86.6Confident92.5Very high68 Ų6856.3 Ų56.370%0.70131%0.306SS*.Hα-helixtrans-87.5-14.7-17900000115.9D234 Q235 I236D234-G238 PolarHBondContact O-N 3.07Å; Q235-G238 PolarHBondContact O-N 3.14Å; I236-G238 VanDerWaalsContact C-N 3.35Å; I236-G238 PolarHBondContact O-N 2.91Å
239S90.3Very high92.4Very high47 Ų4758.4 Ų58.433%0.32932%0.318SS..  trans-127.9166.5-166.1-44.90000113.6Q235Q235-S239 WeakPolarHBondContact O-CB 3.27Å; Q235-S239 PolarHBondContact O-N 3.13Å; Q235-S239 PolarHBondContact O-OG 2.78Å
240K94.4Very high92.4Very high148 Ų14855.4 Ų55.464%0.64330%0.299SS*.  trans-135.6139.9176-57.2178.6-177.7172.30109.1W208W208-K240 HydrophobicContact CB-CB 4.32Å; W208-K240 HydrophobicContact CD2-CB 4.22Å; W208-K240 HydrophobicContact CD2-CD 4.41Å; W208-K240 HydrophobicContact CD2-CG 3.81Å; W208-K240 HydrophobicContact CE3-CG 4.45Å; W208-K240 HydrophobicContact CG-CB 3.85Å; W208-K240 HydrophobicContact CG-CG 3.97Å; W208-K240 HydrophobicContact CZ2-CD 4.12Å; W208-K240 HydrophobicContact CZ2-CG 4.17Å
241G96.6Very high92.4Very high12 Ų1253.6 Ų53.612%0.12428%0.281CS..SBendtrans153.2-141.8-179.900000110.9W208 W215 S253W208-G241 WeakPolarHBondContact CB-O 3.47Å; W208-G241 PolarHBondContact N-O 3.32Å; W215-G241 WeakPolarHBondContact CH2-O 3.48Å; G241-S253 WeakPolarHBondContact CA-O 3.36Å
242C98.1Very high92.6Very high2 Ų247.3 Ų47.31%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-124.3145.2178.4-68.60000109.1W165 W203 S253 C255W165-C242 HydrophobicContact CB-CB 3.92Å; W165-C242 HydrophobicContact CD2-CB 4.22Å; W165-C242 HydrophobicContact CG-CB 3.61Å; W203-C242 HydrophobicContact CE3-CB 4.07Å; W203-C242 HydrophobicContact CH2-CB 4.12Å; W203-C242 HydrophobicContact CZ3-CB 3.63Å; W203-C242 WeakPolarHBondContact CZ3-O 3.31Å; C242-S253 PolarHBondContact N-O 2.83Å; C242-S253 PolarHBondContact O-N 3.35Å; C242-C255 HydrophobicContact CB-CB 3.97Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 PolarHBondContact N-SG 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.47Å; C242-C255 CovalentContact SG-SG 2.04Å; C242-C255 PolarHBondContact SG-SG 3.44Å
243A97.3Very high92.7Very high0 Ų048.9 Ų48.90%027%0.266CS..EExtended strand (participates in β ladder)trans-91.9140.6-175.900000111.7L204 L206 W215 I250 Y251L204-A243 HydrophobicContact CD1-CB 4.47Å; L204-A243 PolarHBondContact N-O 3.3Å; L206-A243 HydrophobicContact CB-CB 3.86Å; L206-A243 HydrophobicContact CD2-CB 3.98Å; L206-A243 HydrophobicContact CG-CB 3.98Å; L206-A243 WeakPolarHBondContact O-CB 3.41Å; L206-A243 PolarHBondContact O-N 3.3Å; W215-A243 HydrophobicContact CZ3-CB 4.28Å; A243-I250 HydrophobicContact CB-CG2 4.05Å; A243-Y251 CarbonylContact C-O 3.48Å; A243-Y251 VanDerWaalsContact CA-O 3.24Å; A243-Y251 WeakPolarHBondContact CA-O 3.07Å
244Y96.9Very high92.9Very high38 Ų3856.3 Ų56.315%0.14929%0.291CS..EExtended strand (participates in β ladder)trans-128.8153.2172.870.2-91.8000110.7F201 F202 W203 Q246 Y251 I259F201-Y244 HydrophobicContact CB-CD2 3.81Å; F201-Y244 HydrophobicContact CB-CE2 4.13Å; F201-Y244 HydrophobicContact CD1-CD2 4.24Å; F201-Y244 AromaticContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CG-CE2 4.33Å; F202-Y244 CarbonylContact O-C 3.58Å; F202-Y244 WeakPolarHBondContact O-CA 3.46Å; F202-Y244 VanDerWaalsContact O-CB 3.3Å; F202-Y244 WeakPolarHBondContact O-CB 3.47Å; W203-Y244 HydrophobicContact CZ3-CD1 4.35Å; Y244-Q246 HydrophobicContact CD2-CB 4.47Å; Y244-Q246 HydrophobicContact CE2-CB 4.28Å; Y244-Y251 HydrophobicContact CD2-CD2 4.42Å; Y244-Y251 VanDerWaalsContact CE1-CB 3.49Å; Y244-Y251 AromaticContact CE2-CD2 3.8Å; Y244-Y251 HydrophobicContact CE2-CD2 3.8Å; Y244-Y251 AromaticContact CE2-CG 3.98Å; Y244-Y251 HydrophobicContact CE2-CG 3.98Å; Y244-Y251 AromaticContact CZ-CG 3.95Å; Y244-Y251 PolarHBondContact N-O 3.34Å; Y244-Y251 PolarHBondContact O-N 2.95Å; Y244-Y251 WeakPolarHBondContact OH-CB 3.42Å; Y244-I259 HydrophobicContact CD1-CD1 4.07Å; Y244-I259 HydrophobicContact CG-CD1 4.15Å
245F95.3Very high93.2Very high0 Ų053.3 Ų53.30%028%0.278CS..EExtended strand (participates in β ladder)trans-99.9140.2175.5-164.3-92.9000110.8I182 K188 L191 M192 L197 F201 F202 L204 G248 N249 I250I182-F245 HydrophobicContact CD1-CD2 3.85Å; I182-F245 HydrophobicContact CD1-CE2 4.01Å; K188-F245 HydrophobicContact CG-CE2 3.89Å; K188-F245 HydrophobicContact CG-CZ 4.31Å; L191-F245 HydrophobicContact CB-CE1 4.09Å; L191-F245 HydrophobicContact CB-CZ 4.03Å; M192-F245 HydrophobicContact CB-CZ 4.34Å; L197-F245 HydrophobicContact CD1-CD1 4.25Å; L197-F245 HydrophobicContact CD1-CE1 4.31Å; L197-F245 HydrophobicContact CD2-CD1 3.79Å; L197-F245 HydrophobicContact CG-CD1 4.45Å; F201-F245 WeakPolarHBondContact CA-O 3.3Å; F202-F245 PolarHBondContact N-O 2.79Å; F202-F245 PolarHBondContact O-N 2.96Å; L204-F245 HydrophobicContact CD1-CB 4.18Å; L204-F245 HydrophobicContact CD2-CB 3.97Å; L204-F245 HydrophobicContact CG-CB 4.13Å; F245-G248 VanDerWaalsContact CZ-CA 3.41Å; F245-N249 WeakPolarHBondContact CA-O 3.45Å; F245-I250 HydrophobicContact CD2-CG1 3.99Å
246Q91.3Very high93.6Very high33 Ų3354.6 Ų54.615%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-151.1129.4169.2-177.5-172.73200109.2F201 Y244 G248 N249 Y251F201-Q246 HydrophobicContact CD1-CB 4.08Å; F201-Q246 HydrophobicContact CD1-CG 3.95Å; F201-Q246 HydrophobicContact CE1-CG 4.4Å; F201-Q246 VanDerWaalsContact CE1-OE1 3.32Å; Y244-Q246 HydrophobicContact CD2-CB 4.47Å; Y244-Q246 HydrophobicContact CE2-CB 4.28Å; Q246-G248 VanDerWaalsContact C-N 3.33Å; Q246-G248 PolarHBondContact O-N 2.79Å; Q246-N249 PolarHBondContact N-O 2.99Å; Q246-N249 PolarHBondContact O-N 2.98Å; Q246-Y251 HydrophobicContact CB-CD2 4.11Å; Q246-Y251 HydrophobicContact CB-CE2 4Å
247K86.3Confident93.9Very high118 Ų11855.6 Ų55.651%0.51330%0.303SS..THydrogen-bonded Turntrans48.249.6170.1-64.7171.7178177.20113.8L197 M198 N249L197-K247 PolarHBondContact O-N 2.97Å; M198-K247 WeakPolarHBondContact O-CE 3.32Å; K247-N249 VanDerWaalsContact C-N 3.27Å; K247-N249 PolarHBondContact O-N 3.34Å; K247-N249 PolarHBondContact O-ND2 3.43Å
248G86.8Confident94.4Very high12 Ų1255.7 Ų55.712%0.12430%0.299CS..THydrogen-bonded Turntrans79.2-2.4178.600000115.9K188 F245 Q246K188-G248 WeakPolarHBondContact CE-O 3.34Å; F245-G248 VanDerWaalsContact CZ-CA 3.41Å; Q246-G248 VanDerWaalsContact C-N 3.33Å; Q246-G248 PolarHBondContact O-N 2.79Å
249N91Very high94.9Very high60 Ų6053.1 Ų53.132%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-122.1146.6-173.2-67.9-99.8000111.5F245 Q246 K247 Y251F245-N249 WeakPolarHBondContact CA-O 3.45Å; Q246-N249 PolarHBondContact N-O 2.99Å; Q246-N249 PolarHBondContact O-N 2.98Å; K247-N249 VanDerWaalsContact C-N 3.27Å; K247-N249 PolarHBondContact O-N 3.34Å; K247-N249 PolarHBondContact O-ND2 3.43Å; N249-Y251 HydrophobicContact CB-CD2 4.32Å; N249-Y251 HydrophobicContact CB-CE2 3.51Å
250I94.3Very high95.3Very high3 Ų352.2 Ų52.22%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-98.9131.5177.2-58.8170.1000109.4I182 L204 F228 E232 A243 F245I182-I250 HydrophobicContact CD1-CD1 3.88Å; I182-I250 HydrophobicContact CD1-CG1 4.35Å; L204-I250 HydrophobicContact CD1-CD1 4.25Å; L204-I250 HydrophobicContact CD1-CG1 3.96Å; L204-I250 HydrophobicContact CD1-CG2 4.02Å; F228-I250 HydrophobicContact CD1-CD1 3.76Å; F228-I250 HydrophobicContact CE1-CD1 3.41Å; F228-I250 VanDerWaalsContact CE1-CD1 3.41Å; F228-I250 HydrophobicContact CE1-CG2 4.37Å; F228-I250 HydrophobicContact CZ-CD1 4.27Å; E232-I250 HydrophobicContact CG-CB 4.26Å; E232-I250 WeakPolarHBondContact OE1-CB 3.34Å; E232-I250 WeakPolarHBondContact OE1-CG1 3.46Å; E232-I250 PolarHBondContact OE1-N 2.8Å; A243-I250 HydrophobicContact CB-CG2 4.05Å; F245-I250 HydrophobicContact CD2-CG1 3.99Å
251Y95.3Very high95.5Very high68 Ų6845.1 Ų45.127%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-132.3168.1-177.4-63-80.3000110.3A243 Y244 Q246 N249A243-Y251 CarbonylContact C-O 3.48Å; A243-Y251 VanDerWaalsContact CA-O 3.24Å; A243-Y251 WeakPolarHBondContact CA-O 3.07Å; Y244-Y251 HydrophobicContact CD2-CD2 4.42Å; Y244-Y251 VanDerWaalsContact CE1-CB 3.49Å; Y244-Y251 AromaticContact CE2-CD2 3.8Å; Y244-Y251 HydrophobicContact CE2-CD2 3.8Å; Y244-Y251 AromaticContact CE2-CG 3.98Å; Y244-Y251 HydrophobicContact CE2-CG 3.98Å; Y244-Y251 AromaticContact CZ-CG 3.95Å; Y244-Y251 PolarHBondContact N-O 3.34Å; Y244-Y251 PolarHBondContact O-N 2.95Å; Y244-Y251 WeakPolarHBondContact OH-CB 3.42Å; Q246-Y251 HydrophobicContact CB-CD2 4.11Å; Q246-Y251 HydrophobicContact CB-CE2 4Å; N249-Y251 HydrophobicContact CB-CD2 4.32Å; N249-Y251 HydrophobicContact CB-CE2 3.51Å
252I96.1Very high95.5Very high32 Ų3244.6 Ų44.616%0.16422%0.223CC..EExtended strand (participates in β ladder)trans-122.7133.5-175.6-61.7162.1000109.5W215 Q235 I236W215-I252 HydrophobicContact CH2-CD1 3.99Å; W215-I252 HydrophobicContact CH2-CG1 3.86Å; W215-I252 HydrophobicContact CH2-CG2 3.87Å; W215-I252 HydrophobicContact CZ2-CD1 3.7Å; W215-I252 HydrophobicContact CZ2-CG1 4.11Å; W215-I252 HydrophobicContact CZ2-CG2 4.22Å; Q235-I252 HydrophobicContact CB-CD1 3.98Å; Q235-I252 VanDerWaalsContact O-CD1 3.25Å; Q235-I252 WeakPolarHBondContact O-CD1 3.16Å; I236-I252 HydrophobicContact CB-CD1 4.4Å; I236-I252 HydrophobicContact CG1-CD1 3.94Å
253S96.8Very high95.5Very high35 Ų3544.5 Ų44.525%0.24522%0.222CC..EExtended strand (participates in β ladder)trans-131.3169.8173.5-1740000110.5G241 C242 C255 A257G241-S253 WeakPolarHBondContact CA-O 3.36Å; C242-S253 PolarHBondContact N-O 2.83Å; C242-S253 PolarHBondContact O-N 3.35Å; S253-C255 PolarHBondContact O-N 3.27Å; S253-A257 WeakPolarHBondContact OG-CB 3.44Å
254R97.1Very high95.6Very high201 Ų20145.5 Ų45.576%0.75823%0.227SC*.  trans-65.5131.4168.8-59.7-178-175.8118.20.8107.7W203 S256 A257W203-R254 WeakPolarHBondContact CH2-O 3.3Å; R254-S256 PolarHBondContact O-N 3.38Å; R254-A257 VanDerWaalsContact O-CB 3.3Å; R254-A257 WeakPolarHBondContact O-CB 3.4Å; R254-A257 PolarHBondContact O-N 3.32Å
255C97.9Very high95.6Very high41 Ų4146.1 Ų46.128%0.27723%0.231SC..THydrogen-bonded Turntrans-58.9-16.1179.4-54.90000114.2T164 W165 C242 S253T164-C255 WeakPolarHBondContact CB-O 3.04Å; W165-C255 HydrophobicContact CB-CB 4.14Å; W165-C255 PolarHBondContact N-O 2.87Å; C242-C255 HydrophobicContact CB-CB 3.97Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 PolarHBondContact N-SG 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.47Å; C242-C255 CovalentContact SG-SG 2.04Å; C242-C255 PolarHBondContact SG-SG 3.44Å; S253-C255 PolarHBondContact O-N 3.27Å
256S98.1Very high95.7Very high90 Ų9051.7 Ų51.763%0.62927%0.265SS*.THydrogen-bonded Turntrans-86.2-1.6174.168.40000114.6R254R254-S256 PolarHBondContact O-N 3.38Å
257A98.2Very high96Very high30 Ų3051 Ų5125%0.24827%0.265CS..SBendtrans-68.9148.6169.400000109.4T164 W203 S253 R254 I259T164-A257 WeakPolarHBondContact CA-O 3.47Å; W203-A257 HydrophobicContact CH2-CB 4.37Å; W203-A257 HydrophobicContact CZ2-CB 4.15Å; W203-A257 WeakPolarHBondContact CZ2-O 3.38Å; S253-A257 WeakPolarHBondContact OG-CB 3.44Å; R254-A257 VanDerWaalsContact O-CB 3.3Å; R254-A257 WeakPolarHBondContact O-CB 3.4Å; R254-A257 PolarHBondContact O-N 3.32Å; A257-I259 HydrophobicContact CB-CD1 4.46Å; A257-I259 HydrophobicContact CB-CG1 4.35Å
258E97.9Very high96.4Very high131 Ų13147.9 Ų47.961%0.61226%0.261SS*.  trans-91.9124.6171.9-65.2-179.9155.400107.8E162 K163 T164E162-E258 HydrophobicContact CB-CB 3.93Å; K163-E258 WeakPolarHBondContact O-CA 3.48Å; T164-E258 HydrophobicContact CG2-CG 4.36Å
259I97.5Very high96.7Very high14 Ų1452.8 Ų52.87%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-144.9155.5179.8-51.4-176.3000108K163 F201 W203 Y244 A257K163-I259 PolarHBondContact N-O 3.01Å; K163-I259 PolarHBondContact O-N 3.47Å; F201-I259 VanDerWaalsContact C-CG2 3.42Å; F201-I259 HydrophobicContact CB-CG2 3.71Å; F201-I259 WeakPolarHBondContact O-CG2 3.33Å; W203-I259 HydrophobicContact CD2-CB 4.18Å; W203-I259 HydrophobicContact CD2-CD1 4.16Å; W203-I259 HydrophobicContact CD2-CG1 4.47Å; W203-I259 HydrophobicContact CE3-CD1 4.17Å; W203-I259 HydrophobicContact CG-CB 4.32Å; W203-I259 HydrophobicContact CH2-CD1 3.58Å; W203-I259 HydrophobicContact CH2-CG1 4.3Å; W203-I259 HydrophobicContact CZ2-CB 4.2Å; W203-I259 HydrophobicContact CZ2-CD1 3.55Å; W203-I259 HydrophobicContact CZ2-CG1 3.75Å; W203-I259 HydrophobicContact CZ3-CD1 3.88Å; Y244-I259 HydrophobicContact CD1-CD1 4.07Å; Y244-I259 HydrophobicContact CG-CD1 4.15Å; A257-I259 HydrophobicContact CB-CD1 4.46Å; A257-I259 HydrophobicContact CB-CG1 4.35Å
260F97.7Very high96.9Very high28 Ų2851.1 Ų51.112%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-61.1171166-58.4-65000111.7T158 T159 E161 E162 F201 F202 W203T158-F260 WeakPolarHBondContact O-CB 3.45Å; T158-F260 WeakPolarHBondContact O-CD1 3.34Å; T159-F260 VanDerWaalsContact O-CE1 3.23Å; T159-F260 WeakPolarHBondContact O-CE1 3.24Å; E161-F260 VanDerWaalsContact O-CD1 3.22Å; E161-F260 WeakPolarHBondContact O-CD1 3.46Å; E162-F260 HydrophobicContact CG-CD1 3.81Å; E162-F260 HydrophobicContact CG-CD2 4.16Å; E162-F260 HydrophobicContact CG-CE1 3.56Å; E162-F260 HydrophobicContact CG-CE2 3.93Å; E162-F260 HydrophobicContact CG-CG 4.12Å; E162-F260 HydrophobicContact CG-CZ 3.62Å; E162-F260 WeakPolarHBondContact OE1-CE2 3.32Å; E162-F260 WeakPolarHBondContact OE1-CZ 3.37Å; F201-F260 WeakPolarHBondContact O-CB 3.36Å; F202-F260 CarbonylContact C-O 3.56Å; F202-F260 VanDerWaalsContact CA-O 3.32Å; F202-F260 WeakPolarHBondContact CA-O 3.36Å; F202-F260 HydrophobicContact CD1-CB 3.59Å; F202-F260 HydrophobicContact CE1-CB 3.68Å; F202-F260 HydrophobicContact CE1-CG 4.48Å; F202-F260 HydrophobicContact CG-CB 4.06Å; F202-F260 HydrophobicContact CZ-CB 4.25Å; W203-F260 PolarHBondContact N-O 3.07Å
261W98.1Very high96.8Very high0 Ų055.8 Ų55.80%030%0.303CS..EExtended strand (participates in β ladder)trans-150.7160179.566.199000113.1T158 E161 K163 S168 D171 C172 L179 W203 C263T158-W261 HydrophobicContact CG2-CD2 4.37Å; T158-W261 HydrophobicContact CG2-CH2 3.44Å; T158-W261 VanDerWaalsContact CG2-CH2 3.44Å; T158-W261 HydrophobicContact CG2-CZ2 3.34Å; T158-W261 HydrophobicContact CG2-CZ3 4.07Å; T158-W261 PolarHBondContact N-O 3.31Å; T158-W261 PolarHBondContact OG1-NE1 2.88Å; E161-W261 HydrophobicContact CG-CH2 3.67Å; E161-W261 HydrophobicContact CG-CZ3 4.07Å; E161-W261 VanDerWaalsContact O-CZ3 3.29Å; E161-W261 WeakPolarHBondContact O-CZ3 3.14Å; K163-W261 HydrophobicContact CB-CE3 4.1Å; K163-W261 HydrophobicContact CB-CH2 4.24Å; K163-W261 HydrophobicContact CB-CZ3 3.67Å; K163-W261 HydrophobicContact CD-CH2 3.47Å; K163-W261 VanDerWaalsContact CD-CH2 3.47Å; K163-W261 HydrophobicContact CD-CZ2 4.05Å; K163-W261 HydrophobicContact CD-CZ3 3.83Å; K163-W261 HydrophobicContact CG-CH2 3.88Å; K163-W261 HydrophobicContact CG-CZ3 3.73Å; S168-W261 VanDerWaalsContact CB-CG 3.45Å; S168-W261 VanDerWaalsContact OG-CD2 3.32Å; D171-W261 HydrophobicContact CB-CZ2 3.8Å; D171-W261 VanDerWaalsContact CG-CZ2 3.46Å; D171-W261 WeakPolarHBondContact OD2-CZ2 3.37Å; D171-W261 PolarHBondContact OD2-NE1 3.07Å; C172-W261 VanDerWaalsContact SG-CD1 3.54Å; L179-W261 HydrophobicContact CD2-CB 3.7Å; L179-W261 HydrophobicContact CD2-CG 4.14Å; W203-W261 HydrophobicContact CB-CB 3.96Å; W261-C263 VanDerWaalsContact CD1-SG 3.54Å
262I97.8Very high96.5Very high0 Ų056.7 Ų56.70%031%0.311CS..EExtended strand (participates in β ladder)trans-116.2122.6176.1-52.9163.4000107.2Y155 Y156 F157 L179 V180 L191 L197 F202Y155-I262 HydrophobicContact CD1-CG2 4.21Å; Y156-I262 WeakPolarHBondContact O-CA 3.47Å; F157-I262 HydrophobicContact CD1-CD1 4.02Å; F157-I262 HydrophobicContact CD1-CG1 3.66Å; F157-I262 HydrophobicContact CD1-CG2 4.35Å; F157-I262 HydrophobicContact CE1-CD1 3.62Å; F157-I262 HydrophobicContact CE1-CG1 3.74Å; F157-I262 HydrophobicContact CE1-CG2 4.11Å; F157-I262 HydrophobicContact CZ-CG2 4.31Å; L179-I262 WeakPolarHBondContact CA-O 3.47Å; V180-I262 HydrophobicContact CB-CB 4Å; V180-I262 HydrophobicContact CB-CG2 3.86Å; V180-I262 HydrophobicContact CG1-CB 3.68Å; V180-I262 HydrophobicContact CG1-CD1 4.08Å; V180-I262 HydrophobicContact CG1-CG1 4.45Å; V180-I262 HydrophobicContact CG1-CG2 4.02Å; V180-I262 HydrophobicContact CG2-CG2 4.33Å; V180-I262 PolarHBondContact N-O 3.45Å; L191-I262 HydrophobicContact CD2-CD1 4.17Å; L197-I262 HydrophobicContact CD1-CD1 3.99Å; L197-I262 HydrophobicContact CD2-CD1 4Å; L197-I262 HydrophobicContact CG-CD1 4.48Å; F202-I262 HydrophobicContact CB-CD1 3.96Å; F202-I262 HydrophobicContact CB-CG1 3.9Å; F202-I262 HydrophobicContact CD1-CD1 4.42Å; F202-I262 HydrophobicContact CD1-CG1 3.72Å; F202-I262 HydrophobicContact CG-CD1 4.29Å; F202-I262 HydrophobicContact CG-CG1 4.05Å
263C98.3Very high96.2Very high0 Ų061.3 Ų61.30%033%0.332CS..EExtended strand (participates in β ladder)trans-92.6145.9168-55.60000110.4W147 Y155 Y156 C172 T178 W261W147-C263 HydrophobicContact CH2-CB 3.82Å; W147-C263 HydrophobicContact CZ3-CB 4.2Å; Y155-C263 CarbonylContact C-O 3.05Å; Y155-C263 WeakPolarHBondContact CA-O 3.44Å; Y156-C263 PolarHBondContact N-O 3.2Å; Y156-C263 PolarHBondContact O-N 3.44Å; C172-C263 WeakPolarHBondContact CA-SG 3.46Å; C172-C263 HydrophobicContact CB-CB 3.71Å; C172-C263 WeakPolarHBondContact CB-SG 3.39Å; C172-C263 WeakPolarHBondContact SG-CA 3.34Å; C172-C263 WeakPolarHBondContact SG-CB 3.38Å; C172-C263 CovalentContact SG-SG 2.04Å; C172-C263 PolarHBondContact SG-SG 3.24Å; T178-C263 CarbonylContact O-C 3.54Å; T178-C263 VanDerWaalsContact O-CA 3.24Å; T178-C263 WeakPolarHBondContact O-CA 3.44Å; W261-C263 VanDerWaalsContact CD1-SG 3.54Å
264E98.5Very high95.9Very high21 Ų2161.7 Ų61.710%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-132.8143.8179.8-165.5-159.2160.400111.2S153 C154 Y155 S177 T178 V180 K181S153-E264 VanDerWaalsContact CB-OE1 3.3Å; S153-E264 WeakPolarHBondContact CB-OE1 3.45Å; S153-E264 PolarHBondContact OG-OE1 2.9Å; C154-E264 WeakPolarHBondContact O-CA 3.23Å; Y155-E264 HydrophobicContact CD1-CB 4.49Å; Y155-E264 HydrophobicContact CD1-CG 4.04Å; Y155-E264 HydrophobicContact CE1-CG 3.76Å; S177-E264 WeakPolarHBondContact CA-O 3.35Å; S177-E264 WeakPolarHBondContact CB-O 3.43Å; T178-E264 PolarHBondContact N-O 3.4Å; T178-E264 PolarHBondContact O-N 2.04Å; V180-E264 HydrophobicContact CB-CB 4.05Å; V180-E264 HydrophobicContact CG2-CB 4.08Å; V180-E264 HydrophobicContact CG2-CG 4.31Å; V180-E264 WeakPolarHBondContact CG2-OE2 3.41Å; K181-E264 PolarHBondContact N-OE2 2.03Å
265K97.7Very high95.4Very high51 Ų5153.3 Ų53.322%0.22230%0.302CS..EExtended strand (participates in β ladder)trans-152.8157.616758.5-172.9167.1-165.50111.2W147 S153 C154 K175 N176 A267W147-K265 HydrophobicContact CE3-CG 4.26Å; W147-K265 HydrophobicContact CH2-CD 4.14Å; W147-K265 HydrophobicContact CH2-CG 4.34Å; W147-K265 HydrophobicContact CZ3-CD 4.13Å; W147-K265 HydrophobicContact CZ3-CG 3.86Å; S153-K265 CarbonylContact C-O 3.46Å; S153-K265 WeakPolarHBondContact CA-O 3.39Å; C154-K265 HydrophobicContact CB-CG 4.19Å; C154-K265 PolarHBondContact N-O 3.19Å; C154-K265 PolarHBondContact O-N 3.21Å; C154-K265 VanDerWaalsContact O-N 3.1Å; K175-K265 PolarHBondContact O-NZ 3.29Å; N176-K265 WeakPolarHBondContact O-CD 3.2Å; K265-A267 PolarHBondContact O-N 2.68Å
266T97.4Very high94.6Very high118 Ų11859.4 Ų59.472%0.72433%0.331SS*.EExtended strand (participates in β ladder)trans-57.2135.7174.3-42.70000111.4
267A96.7Very high94.5Very high18 Ų1857.9 Ų57.915%0.14932%0.316CS..PPolyproline II helixtrans-70.2148.2173.600000111.3P142 N152 C154 K265P142-A267 HydrophobicContact CB-CB 4.08Å; P142-A267 HydrophobicContact CG-CB 4.15Å; N152-A267 WeakPolarHBondContact O-CB 3.44Å; N152-A267 PolarHBondContact O-N 3.23Å; C154-A267 VanDerWaalsContact SG-CA 3.53Å; K265-A267 PolarHBondContact O-N 2.68Å
268A95.2Very high94.3Very high53 Ų5359.3 Ų59.344%0.43832%0.32SS..PPolyproline II helixtrans-63.9157.3171.400000111.3P142 V270P142-A268 HydrophobicContact CB-CB 4.08Å; P142-A268 WeakPolarHBondContact CB-O 2.99Å; P142-A268 WeakPolarHBondContact O-CB 3.48Å; P142-A268 PolarHBondContact O-N 2.96Å; P142-A268 VanDerWaalsContact O-N 3.08Å; A268-V270 PolarHBondContact O-N 3.2Å
269P93.3Very high94.1Very high115 Ų11555.3 Ų55.375%0.74730%0.304SS*.PPolyproline II helixtrans-64.2128.5168.327.1-33.7000110K271P269-K271 PolarHBondContact O-N 2.86Å
270V94.3Very high93.9Very high24 Ų2457.8 Ų57.815%0.14532%0.318CS..PPolyproline II helixtrans-66118.8171.4177.90000108.3A124 I125 C128 C140 P142 W149 A268 L275A124-V270 HydrophobicContact CB-CG1 4.29Å; I125-V270 HydrophobicContact CG1-CB 4.25Å; I125-V270 HydrophobicContact CG1-CG2 4Å; C128-V270 HydrophobicContact CB-CG1 3.86Å; C140-V270 HydrophobicContact CB-CG1 4.36Å; P142-V270 HydrophobicContact CB-CG2 4.17Å; P142-V270 HydrophobicContact CG-CG2 3.96Å; W149-V270 HydrophobicContact CH2-CG2 3.67Å; W149-V270 HydrophobicContact CZ2-CG2 3.91Å; A268-V270 PolarHBondContact O-N 3.2Å; V270-L275 HydrophobicContact CG1-CD2 4.32Å
271K92.1Very high93.6Very high101 Ų10159.6 Ų59.644%0.43933%0.33SS..PPolyproline II helixtrans-92.5144.8177.3-47.4-170.3-158.6155.70111.3P269 E273 D274P269-K271 PolarHBondContact O-N 2.86Å; K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 HydrophobicContact CB-CG 3.86Å; K271-E273 HydrophobicContact CD-CG 3.99Å; K271-E273 WeakPolarHBondContact CD-OE1 3.5Å; K271-E273 IonicContact NZ-OE1 2.63Å; K271-E273 PolarHBondContact NZ-OE1 2.94Å; K271-E273 PolarHBondContact O-N 3.27Å; K271-D274 WeakPolarHBondContact CB-OD2 3.5Å; K271-D274 WeakPolarHBondContact CD-OD2 3.45Å; K271-D274 IonicContact NZ-OD2 2.83Å; K271-D274 PolarHBondContact O-N 3.4Å
272I89.4Confident93.3Very high87 Ų8763.6 Ų63.645%0.44635%0.352SS..G310 helixtrans-68.1-35.9-179.5-57.2174.3000110.9Q120 A124 D274 L275Q120-I272 HydrophobicContact CG-CD1 3.73Å; Q120-I272 VanDerWaalsContact NE2-CD1 3.32Å; A124-I272 HydrophobicContact CB-CG1 4.32Å; I272-D274 PolarHBondContact O-N 2.84Å; I272-L275 HydrophobicContact CB-CD1 4.43Å; I272-L275 HydrophobicContact CG2-CD1 4.25Å; I272-L275 WeakPolarHBondContact O-CB 3.42Å; I272-L275 PolarHBondContact O-N 3.3Å
273E89.9Confident93Very high130 Ų13068.1 Ų68.161%0.60738%0.377SS*.G310 helixtrans-63.2-17.6176.867.2-157.3-156.100114.7K271K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 HydrophobicContact CB-CG 3.86Å; K271-E273 HydrophobicContact CD-CG 3.99Å; K271-E273 WeakPolarHBondContact CD-OE1 3.5Å; K271-E273 IonicContact NZ-OE1 2.63Å; K271-E273 PolarHBondContact NZ-OE1 2.94Å; K271-E273 PolarHBondContact O-N 3.27Å
274D90.4Very high92.6Very high43 Ų4373.4 Ų73.423%0.2341%0.406CS..G310 helixtrans-98.53-179.6-65.8-48.5000112.7H138 R139 C140 K271 I272H138-D274 PolarHBondContact CE1-O 3.25Å; R139-D274 HydrophobicContact CB-CB 4.3Å; C140-D274 HydrophobicContact CB-CB 4.28Å; C140-D274 VanDerWaalsContact CB-O 3.3Å; C140-D274 WeakPolarHBondContact CB-O 2.92Å; C140-D274 PolarHBondContact N-O 3.44Å; K271-D274 WeakPolarHBondContact CB-OD2 3.5Å; K271-D274 WeakPolarHBondContact CD-OD2 3.45Å; K271-D274 IonicContact NZ-OD2 2.83Å; K271-D274 PolarHBondContact O-N 3.4Å; I272-D274 PolarHBondContact O-N 2.84Å
275L87.8Confident92.1Very high25 Ų2577.8 Ų77.813%0.13143%0.431CS..  trans-85.3-17.6179.4-65.3169.2000114.4A124 L127 C128 L131 C140 V270 I272A124-L275 HydrophobicContact CB-CD1 3.95Å; L127-L275 HydrophobicContact CB-CD2 4.47Å; L127-L275 HydrophobicContact CD2-CD1 4.32Å; L127-L275 HydrophobicContact CD2-CD2 4.48Å; L127-L275 HydrophobicContact CG-CD2 4.39Å; C128-L275 HydrophobicContact CB-CD2 3.81Å; L131-L275 HydrophobicContact CD1-CD2 4.34Å; C140-L275 HydrophobicContact CB-CD2 3.83Å; V270-L275 HydrophobicContact CG1-CD2 4.32Å; I272-L275 HydrophobicContact CB-CD1 4.43Å; I272-L275 HydrophobicContact CG2-CD1 4.25Å; I272-L275 WeakPolarHBondContact O-CB 3.42Å; I272-L275 PolarHBondContact O-N 3.3Å
276D81.1Confident91.6Very high168 Ų16880.2 Ų80.290%0.89845%0.45SS*.  trans-77.70178.8-67.8-28.3000113.4R139R139-D276 PolarHBondContact NH2-O 3.39Å

Retrieved 276 of 276 residues in 300.3 ms (Link to these results)