A0A060VQ19_ONCMY Loading...

Large ribosomal subunit protein uL15m

AlphaFold DB , UniProt , Accession A0A060VQ19, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 296 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
1M42.3Very low63.1Low230 Ų230134.9 Ų134.9100%1.13373%0.729SS**  0105.70-65.5-176.3-166.300108.2F3M1-F3 PolarHBondContact O-N 3.17Å
2S45.4Very low65.1Low119 Ų119132.2 Ų132.283%0.83271%0.713SS**  trans-78.1106.2177.343.40000109.2T4S2-T4 PolarHBondContact O-N 3.34Å; S2-T4 VanDerWaalsContact O-N 3.13Å
3F53.8Low66.9Low193 Ų193128.9 Ų128.985%0.84670%0.695SS**  trans-63.6114.6171.7-73.5-85.8000109.1M1 K5M1-F3 PolarHBondContact O-N 3.17Å; F3-K5 PolarHBondContact O-N 3.11Å
4T56.8Low68.4Low134 Ų134127.1 Ų127.182%0.82268%0.683SS**  trans-63.9102.417045.80000108.1S2 K6S2-T4 PolarHBondContact O-N 3.34Å; S2-T4 VanDerWaalsContact O-N 3.13Å; T4-K6 PolarHBondContact O-N 3.18Å
5K62.4Low69.7Low203 Ų203124.5 Ų124.588%0.88367%0.669SS**  trans-60.8108.3172.8-95.3-178.5176.2174.70107.9F3 P7F3-K5 PolarHBondContact O-N 3.11Å; K5-P7 WeakPolarHBondContact O-CD 3.23Å; K5-P7 VanDerWaalsContact O-N 3.17Å
6K63Low70.8Confident178 Ų178126.1 Ų126.177%0.77467%0.671SS**  trans-62.9111166.6-78.9-174.9176.5179.80108.2T4 G8 G9T4-K6 PolarHBondContact O-N 3.18Å; K6-G8 PolarHBondContact O-N 3.11Å; K6-G9 PolarHBondContact O-N 3.2Å
7P61.8Low71.9Confident128 Ų128127.2 Ų127.283%0.83168%0.677SS**THydrogen-bonded Turntrans-64.9126.9176.827.2-31.2000108.7K5 G9K5-P7 WeakPolarHBondContact O-CD 3.23Å; K5-P7 VanDerWaalsContact O-N 3.17Å; P7-G9 PolarHBondContact O-N 3.46Å
8G64.4Low73.1Confident44 Ų44125.5 Ų125.545%0.45467%0.667SS.*THydrogen-bonded Turntrans81.8-1178.600000116.7K6 K10 A11 L12K6-G8 PolarHBondContact O-N 3.11Å; G8-K10 PolarHBondContact O-N 3.41Å; G8-A11 PolarHBondContact O-N 2.98Å; G8-L12 PolarHBondContact O-N 3.33Å
9G76.8Confident74.2Confident19 Ų19124.3 Ų124.320%0.19667%0.667CS.*Hα-helixtrans-50.7-54.9-175.500000113.5K6 P7 A11 L12 D13K6-G9 PolarHBondContact O-N 3.2Å; P7-G9 PolarHBondContact O-N 3.46Å; G9-A11 VanDerWaalsContact C-N 3.3Å; G9-A11 PolarHBondContact O-N 3.13Å; G9-L12 PolarHBondContact O-N 2.62Å; G9-D13 PolarHBondContact O-N 3.4Å
10K81.5Confident75.2Confident178 Ų178129 Ų12977%0.77468%0.675SS**Hα-helixtrans-62-34178.3-66.6-174.4176.9-1750113.8G8 I14G8-K10 PolarHBondContact O-N 3.41Å; K10-I14 WeakPolarHBondContact O-CB 3.4Å; K10-I14 VanDerWaalsContact O-CD1 3.3Å; K10-I14 WeakPolarHBondContact O-CD1 3.08Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 3.23Å; K10-I14 VanDerWaalsContact O-N 3.14Å
11A86.1Confident76.2Confident58 Ų58128.6 Ų128.648%0.47967%0.672SS.*Hα-helixtrans-71.5-39.8179.600000111.3G8 G9 L15G8-A11 PolarHBondContact O-N 2.98Å; G9-A11 VanDerWaalsContact C-N 3.3Å; G9-A11 PolarHBondContact O-N 3.13Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.01Å; A11-L15 PolarHBondContact O-N 2.62Å
12L86.8Confident78.8Confident102 Ų102121 Ų12153%0.53464%0.639SS.*Hα-helixtrans-69.5-40.9176.1-66.1176.1000111.8G8 G9 I14 L15 Q16G8-L12 PolarHBondContact O-N 3.33Å; G9-L12 PolarHBondContact O-N 2.62Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-I14 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L15 VanDerWaalsContact O-N 3.16Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 3.44Å
13D88.2Confident81.2Confident90 Ų90123 Ų12348%0.48164%0.64SS.*Hα-helixtrans-62-37.3176.5-62-20.7000111.5G9 N17G9-D13 PolarHBondContact O-N 3.4Å; D13-N17 PolarHBondContact O-ND2 3.38Å; D13-N17 VanDerWaalsContact O-ND2 3.12Å
14I88.1Confident83.2Confident103 Ų103118.4 Ų118.453%0.52864%0.637SS.*Hα-helixtrans-68.4-43.3174.1-69.1165.3000110.7K10 L12 Q16 N17 L18K10-I14 WeakPolarHBondContact O-CB 3.4Å; K10-I14 VanDerWaalsContact O-CD1 3.3Å; K10-I14 WeakPolarHBondContact O-CD1 3.08Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 3.23Å; K10-I14 VanDerWaalsContact O-N 3.14Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-I14 PolarHBondContact O-N 3.28Å; I14-Q16 VanDerWaalsContact C-N 3.3Å; I14-Q16 PolarHBondContact O-N 2.9Å; I14-N17 PolarHBondContact O-N 2.74Å; I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 HydrophobicContact CG2-CG 4.46Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.03Å
15L88.3Confident85Confident89 Ų89115.1 Ų115.147%0.46661%0.614SS.*Hα-helixtrans-65.1-30.7-179.5-74.4169.4000113.3A11 L12 N17 L18A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.01Å; A11-L15 PolarHBondContact O-N 2.62Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L15 VanDerWaalsContact O-N 3.16Å; L15-N17 PolarHBondContact O-N 2.93Å; L15-L18 HydrophobicContact CD2-CD1 4.34Å; L15-L18 PolarHBondContact O-N 3.39Å
16Q87.1Confident86.6Confident150 Ų150110.9 Ų110.970%0.70160%0.601SS**Hα-helixtrans-62.4-30.7176.7-75.4176.49.700113.2L12 I14L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 3.44Å; I14-Q16 VanDerWaalsContact C-N 3.3Å; I14-Q16 PolarHBondContact O-N 2.9Å
17N89.8Confident88Confident145 Ų145113.1 Ų113.178%0.77560%0.604SS**THydrogen-bonded Turntrans-92.6-5.9-178.3-64.5-48.1000113.3D13 I14 L15D13-N17 PolarHBondContact O-ND2 3.38Å; D13-N17 VanDerWaalsContact O-ND2 3.12Å; I14-N17 PolarHBondContact O-N 2.74Å; L15-N17 PolarHBondContact O-N 2.93Å
18L92.9Very high89.5Confident96 Ų96110.3 Ų110.350%0.50359%0.586SS.*SBendtrans-92.3155.6-179.5-72.4174.8000111.3I14 L15I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 HydrophobicContact CG2-CG 4.46Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.03Å; L15-L18 HydrophobicContact CD2-CD1 4.34Å; L15-L18 PolarHBondContact O-N 3.39Å
19P94.1Very high91Very high102 Ų102114.8 Ų114.866%0.66260%0.595SS**PPolyproline II helixtrans-59.2153175.825.4-34.9000111.1I21P19-I21 PolarHBondContact O-N 2.98Å
20R94.6Very high91.8Very high219 Ų219119.1 Ų119.183%0.82662%0.62SS**PPolyproline II helixtrans-51.1132.6178.7-175.3178.7-67.6-179-0.1110.7T22 N25R20-T22 PolarHBondContact O-N 3.35Å; R20-N25 PolarHBondContact O-ND2 3.26Å; R20-N25 VanDerWaalsContact O-ND2 3.08Å
21I95.8Very high92.2Very high120 Ų120113.7 Ų113.762%0.61561%0.614SS**PPolyproline II helixtrans-64.3123.8171.9-59.1173.5000108P19 L26P19-I21 PolarHBondContact O-N 2.98Å; I21-L26 HydrophobicContact CG2-CD2 4.23Å
22T96.8Very high92.6Very high70 Ų70115.3 Ų115.343%0.42962%0.619SS.*  trans-134166-178.756.60000109R20 A24 N25R20-T22 PolarHBondContact O-N 3.35Å; T22-A24 PolarHBondContact O-N 3.03Å; T22-N25 PolarHBondContact N-OD1 3.27Å; T22-N25 PolarHBondContact O-N 3.39Å; T22-N25 VanDerWaalsContact O-N 3.16Å; T22-N25 PolarHBondContact O-OD1 2.93Å
23L96.6Very high92.8Very high163 Ų163118.2 Ų118.285%0.85363%0.627SS**THydrogen-bonded Turntrans-57.7-23.9176.5-63.4176000112.8L26L23-L26 HydrophobicContact CD2-CD1 4.12Å
24A96.1Very high92.8Very high95 Ų95123 Ų12379%0.78564%0.643SS**THydrogen-bonded Turntrans-75.3-26.7-179.100000114.3T22T22-A24 PolarHBondContact O-N 3.03Å
25N94.8Very high92.6Very high66 Ų66122.6 Ų122.635%0.35366%0.656SS.*THydrogen-bonded Turntrans-102.56.8-176.7658.7000114R20 T22 R27R20-N25 PolarHBondContact O-ND2 3.26Å; R20-N25 VanDerWaalsContact O-ND2 3.08Å; T22-N25 PolarHBondContact N-OD1 3.27Å; T22-N25 PolarHBondContact O-N 3.39Å; T22-N25 VanDerWaalsContact O-N 3.16Å; T22-N25 PolarHBondContact O-OD1 2.93Å; N25-R27 PolarHBondContact O-N 3.01Å
26L95.2Very high92.3Very high113 Ų113126.3 Ų126.359%0.59267%0.671SS**  trans-69.1129.8170.4-62.1179.8000110.4I21 L23I21-L26 HydrophobicContact CG2-CD2 4.23Å; L23-L26 HydrophobicContact CD2-CD1 4.12Å
27R92.2Very high91.9Very high225 Ų225128.6 Ų128.685%0.84968%0.678SS**  trans-131.6142.1173.5-64.6-178.7-178.4173.10.8108.7N25N25-R27 PolarHBondContact O-N 3.01Å
28P94.3Very high91.4Very high70 Ų70128.9 Ų128.946%0.45567%0.673SS.*PPolyproline II helixtrans-64.7153.9172.131-35.5000109.8K33P28-K33 HydrophobicContact CB-CD 4.33Å; P28-K33 HydrophobicContact CB-CG 4.32Å; P28-K33 HydrophobicContact CG-CD 4.02Å; P28-K33 HydrophobicContact CG-CG 4.27Å
29E95.1Very high90.7Very high137 Ų137131.3 Ų131.364%0.6468%0.675SS**PPolyproline II helixtrans-54.9128.8173.5-175.563.2-154.200109.5G31 T32E29-G31 PolarHBondContact O-N 2.81Å; E29-T32 HydrophobicContact CB-CG2 3.8Å; E29-T32 HydrophobicContact CG-CG2 4.41Å; E29-T32 WeakPolarHBondContact O-CB 3.27Å; E29-T32 WeakPolarHBondContact O-CG2 3.37Å; E29-T32 PolarHBondContact O-N 3.26Å; E29-T32 VanDerWaalsContact O-N 3.12Å; E29-T32 PolarHBondContact O-OG1 3.35Å
30P93.1Very high90Very high111 Ų111128.6 Ų128.672%0.72167%0.666SS**THydrogen-bonded Turntrans-51.7132.2-178.820.1-34.2000111.4
31G90.9Very high89.5Confident63 Ų63127.1 Ų127.165%0.64966%0.66SS**THydrogen-bonded Turntrans90-14.2179.600000115.9E29E29-G31 PolarHBondContact O-N 2.81Å
32T93.5Very high89Confident93 Ų93124.5 Ų124.557%0.57166%0.663SS**THydrogen-bonded Turntrans-67.5-41.5173.7560000112.1E29E29-T32 HydrophobicContact CB-CG2 3.8Å; E29-T32 HydrophobicContact CG-CG2 4.41Å; E29-T32 WeakPolarHBondContact O-CB 3.27Å; E29-T32 WeakPolarHBondContact O-CG2 3.37Å; E29-T32 PolarHBondContact O-N 3.26Å; E29-T32 VanDerWaalsContact O-N 3.12Å; E29-T32 PolarHBondContact O-OG1 3.35Å
33K91.1Very high88.4Confident163 Ų163129.6 Ų129.671%0.70968%0.682SS**SBendtrans-98.6104173-61.9-166.4-175.5-179.20109.4P28P28-K33 HydrophobicContact CB-CD 4.33Å; P28-K33 HydrophobicContact CB-CG 4.32Å; P28-K33 HydrophobicContact CG-CD 4.02Å; P28-K33 HydrophobicContact CG-CG 4.27Å
34K89.4Confident87.5Confident189 Ų189130.1 Ų130.182%0.82268%0.68SS**PPolyproline II helixtrans-70.8131.3171.7-67.9-178.3179.7176.20109E36K34-E36 PolarHBondContact O-N 2.95Å
35A83.9Confident86.6Confident96 Ų96127 Ų12779%0.79366%0.656SS**PPolyproline II helixtrans-59.4131.3172.400000109.6K37A35-K37 PolarHBondContact O-N 2.82Å
36E80.9Confident86Confident167 Ų167124.5 Ų124.578%0.7865%0.646SS**PPolyproline II helixtrans-63.9125.8177-70.7-177.3174.700110.2K34 K38K34-E36 PolarHBondContact O-N 2.95Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 2.98Å
37K78.4Confident85.6Confident197 Ų197126.3 Ų126.386%0.85766%0.657SS**  trans-71.393.7168.5-69.5-175.8-179.6-179.30108.4A35 R39A35-K37 PolarHBondContact O-N 2.82Å; K37-R39 PolarHBondContact O-N 3.43Å
38K79.6Confident85.4Confident152 Ų152121.7 Ų121.766%0.66164%0.639SS**  trans-68.496.6174.8-65.2-174.5-179-179.50109.8E36E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 2.98Å
39R78.6Confident85.2Confident146 Ų146119.6 Ų119.655%0.55163%0.627SS**THydrogen-bonded Turntrans-81.1155.3169.8-61.416975.6172.15.8108.9K37 S49 G50K37-R39 PolarHBondContact O-N 3.43Å; R39-S49 PolarHBondContact NE-O 3.42Å; R39-S49 PolarHBondContact NH2-O 2.97Å; R39-G50 VanDerWaalsContact NH2-CA 3.29Å; R39-G50 PolarHBondContact NH2-O 3.26Å
40G78.9Confident84.9Confident46 Ų46116.2 Ų116.247%0.47463%0.628SS.*THydrogen-bonded Turntrans83.69-178.200000115.5G45 S49G40-G45 PolarHBondContact N-O 3.36Å; G40-S49 VanDerWaalsContact CA-OG 3.25Å; G40-S49 WeakPolarHBondContact CA-OG 3.17Å; G40-S49 PolarHBondContact N-OG 3.43Å
41R85.4Confident84.8Confident187 Ų187118 Ų11871%0.70662%0.621SS**SBendtrans-133.2144.8178.7-61.4-174.7-176.8-106.30.8111.6G46R41-G46 PolarHBondContact O-N 3.22Å
42G84.6Confident84.8Confident65 Ų65116.6 Ų116.667%0.6761%0.606SS**SBendtrans63-174.7173.500000115.1G46G42-G46 WeakPolarHBondContact O-CA 3.45Å; G42-G46 PolarHBondContact O-N 3.05Å; G42-G46 VanDerWaalsContact O-N 3.07Å
43Q83.2Confident84.9Confident178 Ų178117.7 Ų117.783%0.83260%0.604SS**THydrogen-bonded Turntrans-65.4-42179.6-175.4174.7-13.500111.8G45Q43-G45 PolarHBondContact O-N 2.9Å
44H78.3Confident85.1Confident173 Ų173116.3 Ų116.380%0.80160%0.598SS**THydrogen-bonded Turntrans-9188.5179.3-62.8-67.7000111.2
45G76.8Confident85.4Confident29 Ų29109.1 Ų109.130%0.29958%0.578SS.*THydrogen-bonded Turntrans109.5-0.6175.300000115G40 Q43 S49G40-G45 PolarHBondContact N-O 3.36Å; Q43-G45 PolarHBondContact O-N 2.9Å; G45-S49 VanDerWaalsContact O-CA 3.28Å; G45-S49 WeakPolarHBondContact O-CA 3.24Å; G45-S49 PolarHBondContact O-OG 3.36Å
46G82.9Confident85.9Confident14 Ų14109.6 Ų109.614%0.14456%0.564CS.*SBendtrans-72-84.9173.200000113.3R41 G42 S49R41-G46 PolarHBondContact O-N 3.22Å; G42-G46 WeakPolarHBondContact O-CA 3.45Å; G42-G46 PolarHBondContact O-N 3.05Å; G42-G46 VanDerWaalsContact O-N 3.07Å; G46-S49 WeakPolarHBondContact O-CA 3.33Å; G46-S49 PolarHBondContact O-N 3.31Å; G46-S49 PolarHBondContact O-OG 3.3Å
47N87.1Confident86.5Confident152 Ų152110.2 Ų110.281%0.81356%0.559SS**THydrogen-bonded Turntrans-27.9-91.1-171.9-176.2-10.4000115.6S49N47-S49 PolarHBondContact O-N 3.22Å
48R88.1Confident87.3Confident127 Ų127104.4 Ų104.448%0.47954%0.535SS..THydrogen-bonded Turntrans-80.7-0.3179.2-65.2178.4-176.2177.10.1112.5G50 R51 G52R48-G50 PolarHBondContact O-N 3.33Å; R48-R51 WeakPolarHBondContact O-CB 3.34Å; R48-R51 PolarHBondContact O-N 2.94Å; R48-G52 WeakPolarHBondContact CD-O 3.33Å
49S89.1Confident88Confident27 Ų27106 Ų10619%0.18954%0.536CS..THydrogen-bonded Turntrans44.832.8-174.5-69.30000113.7R39 G40 G45 G46 N47 R51R39-S49 PolarHBondContact NE-O 3.42Å; R39-S49 PolarHBondContact NH2-O 2.97Å; G40-S49 VanDerWaalsContact CA-OG 3.25Å; G40-S49 WeakPolarHBondContact CA-OG 3.17Å; G40-S49 PolarHBondContact N-OG 3.43Å; G45-S49 VanDerWaalsContact O-CA 3.28Å; G45-S49 WeakPolarHBondContact O-CA 3.24Å; G45-S49 PolarHBondContact O-OG 3.36Å; G46-S49 WeakPolarHBondContact O-CA 3.33Å; G46-S49 PolarHBondContact O-N 3.31Å; G46-S49 PolarHBondContact O-OG 3.3Å; N47-S49 PolarHBondContact O-N 3.22Å; S49-R51 VanDerWaalsContact C-N 3.29Å; S49-R51 PolarHBondContact O-N 3.18Å
50G89Confident88.8Confident65 Ų65101.6 Ų101.667%0.6754%0.537SS*.THydrogen-bonded Turntrans66.515.8-175.600000116.3R39 R48R39-G50 VanDerWaalsContact NH2-CA 3.29Å; R39-G50 PolarHBondContact NH2-O 3.26Å; R48-G50 PolarHBondContact O-N 3.33Å
51R90.7Very high89.6Confident150 Ų150104.9 Ų104.957%0.56654%0.544SS*.SBendtrans-94.4-8.5-179.8-59.4-170.4178.4-151.71114R48 S49 Q58R48-R51 WeakPolarHBondContact O-CB 3.34Å; R48-R51 PolarHBondContact O-N 2.94Å; S49-R51 VanDerWaalsContact C-N 3.29Å; S49-R51 PolarHBondContact O-N 3.18Å; R51-Q58 HydrophobicContact CB-CG 4.36Å
52G91.9Very high90.1Very high32 Ų32103.3 Ų103.333%0.3354%0.538SS..  trans87-161.4-176.900000113.3R48R48-G52 WeakPolarHBondContact CD-O 3.33Å
53H95.1Very high90.7Very high116 Ų116103 Ų10354%0.53752%0.524SS..SBendtrans-120.9124.2-175.7-175.7-90.3000111.9
54K94.8Very high91.3Very high134 Ų134101.8 Ų101.858%0.58351%0.512SS*.SBendtrans48.6-170-179.3-65.5-178.3-177.1-179.10112.9Q58K54-Q58 VanDerWaalsContact O-CB 3.31Å; K54-Q58 WeakPolarHBondContact O-CB 3.35Å
55G95.6Very high92.2Very high39 Ų39102 Ų10240%0.40252%0.518SS..Hα-helixtrans65.1-172.7177.200000114.8R57 Q58 R59G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 2.83Å; G55-Q58 PolarHBondContact O-N 2.78Å; G55-R59 WeakPolarHBondContact O-CG 3.38Å; G55-R59 PolarHBondContact O-N 2.91Å
56E95.3Very high93.1Very high106 Ų106102 Ų10250%0.49552%0.518SS..Hα-helixtrans-65.2-31.6-175.4-65.7174.4167.900112.8Q58 R59 G60 N61 R62 P63E56-Q58 PolarHBondContact O-N 3.24Å; E56-R59 PolarHBondContact O-N 3.41Å; E56-G60 PolarHBondContact O-N 3.18Å; E56-N61 PolarHBondContact O-N 3.28Å; E56-R62 HydrophobicContact CB-CG 4.5Å; E56-P63 VanDerWaalsContact OE2-CD 3.27Å; E56-P63 WeakPolarHBondContact OE2-CD 3.08Å
57R93.9Very high93.7Very high180 Ų180105.6 Ų105.668%0.67953%0.53SS*.Hα-helixtrans-63.1-42.1178.5-58-168.2163.9-172.6-1.5112G55 R62G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 2.83Å; R57-R62 VanDerWaalsContact CG-NH2 3.35Å
58Q94.8Very high94.2Very high74 Ų74102 Ų10235%0.34651%0.508SS..Hα-helixtrans-76.2-41.9178.7-170-174.414.900111.7R51 K54 G55 E56 G60R51-Q58 HydrophobicContact CB-CG 4.36Å; K54-Q58 VanDerWaalsContact O-CB 3.31Å; K54-Q58 WeakPolarHBondContact O-CB 3.35Å; G55-Q58 PolarHBondContact O-N 2.78Å; E56-Q58 PolarHBondContact O-N 3.24Å; Q58-G60 VanDerWaalsContact C-N 3.28Å; Q58-G60 PolarHBondContact O-N 2.87Å
59R94.9Very high94.5Very high185 Ų18599.1 Ų99.170%0.69852%0.518SS*.Hα-helixtrans-75.1-15.4-176.8-64.9176.8-178170.2-0.6113.4G55 E56 N61G55-R59 WeakPolarHBondContact O-CG 3.38Å; G55-R59 PolarHBondContact O-N 2.91Å; E56-R59 PolarHBondContact O-N 3.41Å; R59-N61 VanDerWaalsContact C-N 3.32Å; R59-N61 PolarHBondContact O-OD1 3.15Å
60G94.7Very high94.8Very high55 Ų55100.8 Ų100.857%0.56754%0.539SS*.THydrogen-bonded Turntrans82.49.7-179.500000113.9E56 Q58 R62E56-G60 PolarHBondContact O-N 3.18Å; Q58-G60 VanDerWaalsContact C-N 3.28Å; Q58-G60 PolarHBondContact O-N 2.87Å; G60-R62 VanDerWaalsContact C-N 3.35Å; G60-R62 PolarHBondContact O-N 3.02Å
61N95.7Very high95.2Very high115 Ų115103.7 Ų103.762%0.61554%0.536SS*.  trans-10143.5-174-65.2-1.9000111.1E56 R59E56-N61 PolarHBondContact O-N 3.28Å; R59-N61 VanDerWaalsContact C-N 3.32Å; R59-N61 PolarHBondContact O-OD1 3.15Å
62R96Very high95.4Very high154 Ų154101.8 Ų101.858%0.58154%0.541SS*.PPolyproline II helixtrans-66.9146.3175.4-82.7-176.1169.8146.1-3109.9E56 R57 G60E56-R62 HydrophobicContact CB-CG 4.5Å; R57-R62 VanDerWaalsContact CG-NH2 3.35Å; G60-R62 VanDerWaalsContact C-N 3.35Å; G60-R62 PolarHBondContact O-N 3.02Å
63P96.1Very high95.7Very high57 Ų57100.9 Ų100.937%0.3753%0.529SS..PPolyproline II helixtrans-57161.2168.5-26.135.2000112.2E56 F67E56-P63 VanDerWaalsContact OE2-CD 3.27Å; E56-P63 WeakPolarHBondContact OE2-CD 3.08Å; P63-F67 HydrophobicContact CB-CB 3.7Å; P63-F67 HydrophobicContact CB-CD1 3.24Å; P63-F67 HydrophobicContact CB-CE1 3.96Å; P63-F67 HydrophobicContact CB-CG 3.6Å; P63-F67 HydrophobicContact CG-CD1 3.5Å; P63-F67 HydrophobicContact CG-CE1 3.8Å; P63-F67 HydrophobicContact CG-CG 4.34Å
64R96.1Very high95.8Very high153 Ų153102 Ų10258%0.57753%0.533SS*.PPolyproline II helixtrans-55.3154.9178.268.4-179.8-173.3-84.8-2.1112.2G66 F67 Y75R64-G66 PolarHBondContact O-N 3.16Å; R64-F67 HydrophobicContact CG-CB 4.29Å; R64-F67 VanDerWaalsContact O-CB 3.31Å; R64-F67 WeakPolarHBondContact O-CB 3.48Å; R64-F67 PolarHBondContact O-N 3.01Å; R64-F67 VanDerWaalsContact O-N 3.11Å; R64-Y75 PolarHBondContact NH2-OH 3.19Å
65L97Very high95.9Very high177 Ų177101.2 Ų101.293%0.92753%0.527SS*.THydrogen-bonded Turntrans-56.1133.4170.9-177.864.3000110.1
66G95.6Very high96Very high31 Ų31104.6 Ų104.632%0.3254%0.535SS..THydrogen-bonded Turntrans87.64.2-175.800000115R64 P73R64-G66 PolarHBondContact O-N 3.16Å; G66-P73 WeakPolarHBondContact O-CB 3.31Å
67F97.1Very high96Very high88 Ų88102.7 Ų102.739%0.38654%0.538SS..  trans-83.1125.6170.5-176.5-103.4000111.5P63 R64 G69P63-F67 HydrophobicContact CB-CB 3.7Å; P63-F67 HydrophobicContact CB-CD1 3.24Å; P63-F67 HydrophobicContact CB-CE1 3.96Å; P63-F67 HydrophobicContact CB-CG 3.6Å; P63-F67 HydrophobicContact CG-CD1 3.5Å; P63-F67 HydrophobicContact CG-CE1 3.8Å; P63-F67 HydrophobicContact CG-CG 4.34Å; R64-F67 HydrophobicContact CG-CB 4.29Å; R64-F67 VanDerWaalsContact O-CB 3.31Å; R64-F67 WeakPolarHBondContact O-CB 3.48Å; R64-F67 PolarHBondContact O-N 3.01Å; R64-F67 VanDerWaalsContact O-N 3.11Å; F67-G69 VanDerWaalsContact CE1-CA 3.45Å
68E96.6Very high96.2Very high77 Ų7798.2 Ų98.236%0.3653%0.527SS..  trans-107.125.7-173.7-66.5177.7-166.700113.4Q71 F74E68-Q71 HydrophobicContact CB-CG 3.69Å; E68-Q71 PolarHBondContact OE2-NE2 3.19Å; E68-F74 VanDerWaalsContact OE1-CB 3.29Å; E68-F74 WeakPolarHBondContact OE1-CB 3.36Å; E68-F74 PolarHBondContact OE1-N 3.45Å
69G94.6Very high96.3Very high66 Ų66100 Ų10068%0.6855%0.545SS*.THydrogen-bonded Turntrans857.1172.900000115.7F67F67-G69 VanDerWaalsContact CE1-CA 3.45Å
70G95Very high96.4Very high62 Ų62101.3 Ų101.364%0.63956%0.555SS**THydrogen-bonded Turntrans130.1-21.2173.300000114.4
71Q96.9Very high96.5Very high126 Ų126107 Ų10759%0.58956%0.561SS**SBendtrans-70.9163.7171.271.5-175.121.600111.8E68 P73E68-Q71 HydrophobicContact CB-CG 3.69Å; E68-Q71 PolarHBondContact OE2-NE2 3.19Å; Q71-P73 WeakPolarHBondContact O-CD 3.4Å
72T96.7Very high96.6Very high111 Ų111103.1 Ų103.168%0.68155%0.549SS*.PPolyproline II helixtrans-58117.2171.247.50000109.9
73P97.7Very high96.6Very high12 Ų12103.6 Ų103.68%0.07855%0.552CS.*PPolyproline II helixtrans-59.5148.8179-27.135.8000113.7G66 Q71 Y75 L76 A77G66-P73 WeakPolarHBondContact O-CB 3.31Å; Q71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 HydrophobicContact CB-CD1 3.61Å; P73-Y75 HydrophobicContact CB-CE1 3.37Å; P73-Y75 HydrophobicContact CG-CE1 3.96Å; P73-Y75 PolarHBondContact O-N 3.18Å; P73-L76 HydrophobicContact CG-CD1 4.29Å; P73-L76 PolarHBondContact O-N 2.87Å; P73-A77 PolarHBondContact O-N 3.15Å
74F97.6Very high96.6Very high140 Ų140106.5 Ų106.561%0.61456%0.564SS**Hα-helixtrans-52.1-42.8178176.4-104.7000114.1E68 L76 A77 I78E68-F74 VanDerWaalsContact OE1-CB 3.29Å; E68-F74 WeakPolarHBondContact OE1-CB 3.36Å; E68-F74 PolarHBondContact OE1-N 3.45Å; F74-L76 PolarHBondContact O-N 2.86Å; F74-L76 VanDerWaalsContact O-N 3.16Å; F74-A77 PolarHBondContact O-N 3.19Å; F74-A77 VanDerWaalsContact O-N 3.13Å; F74-I78 HydrophobicContact CD1-CD1 4.21Å; F74-I78 HydrophobicContact CE1-CD1 3.55Å; F74-I78 HydrophobicContact CE2-CD1 4.03Å; F74-I78 HydrophobicContact CE2-CG1 4.37Å; F74-I78 HydrophobicContact CZ-CD1 3.47Å; F74-I78 VanDerWaalsContact CZ-CD1 3.47Å; F74-I78 HydrophobicContact CZ-CG1 4.29Å; F74-I78 PolarHBondContact O-N 3.33Å
75Y96.6Very high96.7Very high117 Ų117106.5 Ų106.546%0.45957%0.57SS.*Hα-helixtrans-69.1-11.9-179.774.7-90.5000114R64 P73R64-Y75 PolarHBondContact NH2-OH 3.19Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 HydrophobicContact CB-CD1 3.61Å; P73-Y75 HydrophobicContact CB-CE1 3.37Å; P73-Y75 HydrophobicContact CG-CE1 3.96Å; P73-Y75 PolarHBondContact O-N 3.18Å
76L96.4Very high96.6Very high110 Ų11099.7 Ų99.758%0.57654%0.543SS*.Hα-helixtrans-101.2-24.8172.1-66.4179.9000112.4P73 F74 I78P73-L76 HydrophobicContact CG-CD1 4.29Å; P73-L76 PolarHBondContact O-N 2.87Å; F74-L76 PolarHBondContact O-N 2.86Å; F74-L76 VanDerWaalsContact O-N 3.16Å; L76-I78 VanDerWaalsContact C-N 3.28Å
77A96.6Very high96.7Very high67 Ų67103 Ų10355%0.55455%0.55SS**Hα-helixtrans-67.3-30.9176.100000112.1P73 F74P73-A77 PolarHBondContact O-N 3.15Å; F74-A77 PolarHBondContact O-N 3.19Å; F74-A77 VanDerWaalsContact O-N 3.13Å
78I96.7Very high96.6Very high86 Ų86101.6 Ų101.644%0.44155%0.551SS.*SBendtrans-75.9128.7176.1-60.3172.3000109.7F74 L76F74-I78 HydrophobicContact CD1-CD1 4.21Å; F74-I78 HydrophobicContact CE1-CD1 3.55Å; F74-I78 HydrophobicContact CE2-CD1 4.03Å; F74-I78 HydrophobicContact CE2-CG1 4.37Å; F74-I78 HydrophobicContact CZ-CD1 3.47Å; F74-I78 VanDerWaalsContact CZ-CD1 3.47Å; F74-I78 HydrophobicContact CZ-CG1 4.29Å; F74-I78 PolarHBondContact O-N 3.33Å; L76-I78 VanDerWaalsContact C-N 3.28Å
79P97.6Very high96.4Very high112 Ų112108.3 Ų108.373%0.72757%0.573SS**PPolyproline II helixtrans-65.1149176.228.1-34.9000111.6
80K97.4Very high96.4Very high212 Ų212111.2 Ų111.292%0.92256%0.564SS**PPolyproline II helixtrans-73.2132.1174.2-67-178.5-178.1176.60109.7
81Y97.4Very high96.5Very high173 Ų173110.3 Ų110.368%0.67855%0.55SS*.  trans-133.9150.5171.9-173.3-97.4000109.4Y83Y81-Y83 AromaticContact CD1-CD1 3.62Å; Y81-Y83 HydrophobicContact CD1-CD1 3.62Å; Y81-Y83 AromaticContact CD1-CD2 3.98Å; Y81-Y83 HydrophobicContact CD1-CD2 3.98Å; Y81-Y83 AromaticContact CD1-CE1 3.5Å; Y81-Y83 HydrophobicContact CD1-CE1 3.5Å; Y81-Y83 AromaticContact CD1-CE2 3.9Å; Y81-Y83 HydrophobicContact CD1-CE2 3.9Å; Y81-Y83 AromaticContact CD1-CG 3.85Å; Y81-Y83 HydrophobicContact CD1-CG 3.85Å; Y81-Y83 AromaticContact CD1-CZ 3.64Å; Y81-Y83 HydrophobicContact CE1-CD1 4.15Å; Y81-Y83 HydrophobicContact CE1-CE1 4.03Å; Y81-Y83 HydrophobicContact CG-CD2 4.45Å; Y81-Y83 HydrophobicContact CG-CE1 4.4Å; Y81-Y83 HydrophobicContact CG-CE2 4.15Å; Y81-Y83 PolarHBondContact O-N 3.47Å
82G97Very high96.5Very high35 Ų35109 Ų10936%0.36154%0.544SS..  trans-71.134.3-173.800000115.5N84 E85G82-N84 VanDerWaalsContact C-N 3.26Å; G82-N84 PolarHBondContact O-N 2.96Å; G82-E85 WeakPolarHBondContact O-CB 3.13Å; G82-E85 PolarHBondContact O-N 3.43Å
83Y96.3Very high96.5Very high164 Ų164105 Ų10564%0.64352%0.516SS*.THydrogen-bonded Turntrans-51-45.3-175.8-67.4-66.4000112.9Y81 R90Y81-Y83 AromaticContact CD1-CD1 3.62Å; Y81-Y83 HydrophobicContact CD1-CD1 3.62Å; Y81-Y83 AromaticContact CD1-CD2 3.98Å; Y81-Y83 HydrophobicContact CD1-CD2 3.98Å; Y81-Y83 AromaticContact CD1-CE1 3.5Å; Y81-Y83 HydrophobicContact CD1-CE1 3.5Å; Y81-Y83 AromaticContact CD1-CE2 3.9Å; Y81-Y83 HydrophobicContact CD1-CE2 3.9Å; Y81-Y83 AromaticContact CD1-CG 3.85Å; Y81-Y83 HydrophobicContact CD1-CG 3.85Å; Y81-Y83 AromaticContact CD1-CZ 3.64Å; Y81-Y83 HydrophobicContact CE1-CD1 4.15Å; Y81-Y83 HydrophobicContact CE1-CE1 4.03Å; Y81-Y83 HydrophobicContact CG-CD2 4.45Å; Y81-Y83 HydrophobicContact CG-CE1 4.4Å; Y81-Y83 HydrophobicContact CG-CE2 4.15Å; Y81-Y83 PolarHBondContact O-N 3.47Å; Y83-R90 PolarHBondContact O-NH2 3.37Å
84N96.8Very high96.5Very high117 Ų117108.3 Ų108.363%0.62653%0.531SS*.THydrogen-bonded Turntrans-104.213-179.1-63-32.8000112.7G82 G86 H87G82-N84 VanDerWaalsContact C-N 3.26Å; G82-N84 PolarHBondContact O-N 2.96Å; N84-G86 PolarHBondContact O-N 3.44Å; N84-H87 HydrophobicContact CB-CB 4.4Å; N84-H87 VanDerWaalsContact O-CB 3.3Å; N84-H87 WeakPolarHBondContact O-CB 3.3Å; N84-H87 PolarHBondContact O-CD2 2.79Å; N84-H87 PolarHBondContact O-N 3.46Å
85E97.3Very high96.5Very high153 Ų153104.7 Ų104.772%0.71552%0.521SS*.THydrogen-bonded Turntrans-61129.1179.3-172.5169.9-173.100110.5G82 H87 R90G82-E85 WeakPolarHBondContact O-CB 3.13Å; G82-E85 PolarHBondContact O-N 3.43Å; E85-H87 PolarHBondContact O-N 2.98Å; E85-H87 VanDerWaalsContact O-N 3.12Å; E85-R90 PolarHBondContact O-NE 2.95Å; E85-R90 PolarHBondContact O-NH2 3.08Å
86G95.9Very high96.6Very high35 Ų3599.2 Ų99.236%0.36150%0.5SS..THydrogen-bonded Turntrans67.18.1-177.300000115.3N84 S88 R89 R90N84-G86 PolarHBondContact O-N 3.44Å; G86-S88 WeakPolarHBondContact O-CA 3.23Å; G86-S88 PolarHBondContact O-N 2.89Å; G86-R89 PolarHBondContact O-N 3.27Å; G86-R90 WeakPolarHBondContact O-CG 3.34Å; G86-R90 PolarHBondContact O-N 3.34Å
87H96Very high96.7Very high101 Ų10195.3 Ų95.347%0.46848%0.481SS..THydrogen-bonded Turntrans-51.8-33.6172.782.9104.5000111.3N84 E85 R89 R134N84-H87 HydrophobicContact CB-CB 4.4Å; N84-H87 VanDerWaalsContact O-CB 3.3Å; N84-H87 WeakPolarHBondContact O-CB 3.3Å; N84-H87 PolarHBondContact O-CD2 2.79Å; N84-H87 PolarHBondContact O-N 3.46Å; E85-H87 PolarHBondContact O-N 2.98Å; E85-H87 VanDerWaalsContact O-N 3.12Å; H87-R89 PolarHBondContact O-N 3.37Å; H87-R89 VanDerWaalsContact O-N 3.15Å; H87-R134 PolarHBondContact O-NH1 2.94Å
88S95.1Very high96.8Very high57 Ų5792.1 Ų92.140%0.39945%0.454SS..THydrogen-bonded Turntrans-0.2-58.9140.686.90000121.6G86 R134G86-S88 WeakPolarHBondContact O-CA 3.23Å; G86-S88 PolarHBondContact O-N 2.89Å; S88-R134 VanDerWaalsContact CA-CZ 3.4Å; S88-R134 WeakPolarHBondContact O-CD 3.18Å; S88-R134 PolarHBondContact O-NE 2.99Å; S88-R134 PolarHBondContact O-NH1 3.2Å; S88-R134 PolarHBondContact O-NH2 2.91Å
89R93.6Very high96.8Very high218 Ų21891 Ų9182%0.82345%0.449SS*.THydrogen-bonded Turntrans-135.5-12.7-152.9-60.9178.3-178.2167.8-0.8110.9G86 H87 A91G86-R89 PolarHBondContact O-N 3.27Å; H87-R89 PolarHBondContact O-N 3.37Å; H87-R89 VanDerWaalsContact O-N 3.15Å; R89-A91 PolarHBondContact O-N 3.47Å
90R94.9Very high96.8Very high128 Ų12889.6 Ų89.648%0.48343%0.429SS..  trans-59.7123.5176.5-64.4176.8-163.8177.52109.2Y83 E85 G86Y83-R90 PolarHBondContact O-NH2 3.37Å; E85-R90 PolarHBondContact O-NE 2.95Å; E85-R90 PolarHBondContact O-NH2 3.08Å; G86-R90 WeakPolarHBondContact O-CG 3.34Å; G86-R90 PolarHBondContact O-N 3.34Å
91A95.1Very high96.8Very high42 Ų4279.5 Ų79.535%0.34739%0.385SS..  trans-69.1134.7173.400000110.1R89 Y93 Y136R89-A91 PolarHBondContact O-N 3.47Å; A91-Y93 HydrophobicContact CB-CE2 4.13Å; A91-Y136 HydrophobicContact CB-CD2 3.37Å; A91-Y136 HydrophobicContact CB-CE2 3.76Å; A91-Y136 HydrophobicContact CB-CG 3.95Å
92Q97.1Very high96.8Very high99 Ų9972.6 Ų72.646%0.46336%0.36SS..EExtended strand (participates in β ladder)trans-114.1144.3175.7-59.6-172.61200109.9R134 D135 Y136Q92-R134 PolarHBondContact N-O 3.22Å; Q92-D135 CarbonylContact O-C 3.53Å; Q92-D135 VanDerWaalsContact O-CA 3.3Å; Q92-D135 WeakPolarHBondContact O-CA 3.05Å; Q92-Y136 PolarHBondContact O-N 3.05Å
93Y97.8Very high96.9Very high27 Ų2776.5 Ų76.511%0.10636%0.364CS..EExtended strand (participates in β ladder)trans-130.2128.4177.5-60.7-81.7000109.2A91 G137 Q139 Q157 M158A91-Y93 HydrophobicContact CB-CE2 4.13Å; Y93-G137 WeakPolarHBondContact CA-O 3.31Å; Y93-Q139 PolarHBondContact O-NE2 3.33Å; Y93-Q157 HydrophobicContact CD1-CB 3.88Å; Y93-Q157 HydrophobicContact CE1-CB 3.61Å; Y93-Q157 HydrophobicContact CE1-CG 4.27Å; Y93-M158 HydrophobicContact CD1-CG 4.39Å; Y93-M158 HydrophobicContact CD2-CG 4.18Å; Y93-M158 HydrophobicContact CD2-SD 3.77Å; Y93-M158 HydrophobicContact CE1-CG 4.23Å; Y93-M158 HydrophobicContact CE2-CG 4.01Å; Y93-M158 HydrophobicContact CE2-SD 3.54Å; Y93-M158 VanDerWaalsContact CE2-SD 3.54Å; Y93-M158 HydrophobicContact CG-CG 4.37Å; Y93-M158 HydrophobicContact CG-SD 4.48Å
94Q97.9Very high96.9Very high82 Ų8268.7 Ų68.738%0.38333%0.334SS..EExtended strand (participates in β ladder)trans-73.5128.3177.9-174.360.819.500109.3L96 G137 V138 Q139Q94-L96 PolarHBondContact O-N 3.19Å; Q94-G137 PolarHBondContact N-O 2.69Å; Q94-V138 VanDerWaalsContact O-CA 3.29Å; Q94-V138 WeakPolarHBondContact O-CA 2.68Å; Q94-V138 WeakPolarHBondContact O-CG1 3.39Å; Q94-Q139 PolarHBondContact O-N 3.43Å
95P97.9Very high97Very high63 Ų6364.3 Ų64.341%0.40931%0.31SS..EExtended strand (participates in β ladder)trans-67.6133.8177.226.7-35000111.7Q139 V141P95-Q139 CarbonylContact C-O 3.6Å; P95-Q139 WeakPolarHBondContact CA-O 3.46Å; P95-Q139 HydrophobicContact CB-CG 4.21Å; P95-V141 HydrophobicContact CB-CG2 4.03Å
96L98.1Very high97Very high2 Ų262.5 Ų62.51%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-120.6115.116817763000108.1Q94 R100 L101 L121 V127 V138 Q139 L140 V141 I154Q94-L96 PolarHBondContact O-N 3.19Å; L96-R100 HydrophobicContact CD1-CB 4.3Å; L96-R100 HydrophobicContact CD1-CG 4.02Å; L96-L101 HydrophobicContact CD2-CD1 4.25Å; L96-L121 HydrophobicContact CD2-CD1 3.92Å; L96-L121 HydrophobicContact CD2-CD2 3.89Å; L96-V127 HydrophobicContact CB-CG1 4.24Å; L96-V127 HydrophobicContact CD1-CG1 3.93Å; L96-V127 HydrophobicContact CG-CG1 4.5Å; L96-V138 HydrophobicContact CB-CG1 3.36Å; L96-V138 HydrophobicContact CD2-CG1 4.01Å; L96-V138 HydrophobicContact CG-CG1 4.34Å; L96-Q139 PolarHBondContact N-O 3.28Å; L96-L140 HydrophobicContact CB-CD1 4.46Å; L96-L140 HydrophobicContact CD2-CD1 4.14Å; L96-L140 HydrophobicContact CG-CD1 4.15Å; L96-L140 WeakPolarHBondContact O-CA 3.35Å; L96-V141 PolarHBondContact O-N 3.09Å; L96-I154 HydrophobicContact CD2-CD1 4.37Å
97T98.3Very high97.1Very high29 Ų2965.3 Ų65.318%0.17831%0.311CS..EExtended strand (participates in β ladder)trans-88.4152.317960.90000110.7N99 R100 L101 E143T97-N99 VanDerWaalsContact C-N 3.29Å; T97-N99 PolarHBondContact O-N 2.92Å; T97-R100 WeakPolarHBondContact O-CB 3.45Å; T97-R100 PolarHBondContact O-N 3.38Å; T97-R100 VanDerWaalsContact O-N 3.14Å; T97-R100 VanDerWaalsContact OG1-CB 3.26Å; T97-R100 WeakPolarHBondContact OG1-CB 3.42Å; T97-R100 PolarHBondContact OG1-N 2.93Å; T97-L101 PolarHBondContact O-N 3.45Å; T97-E143 HydrophobicContact CG2-CB 3.85Å; T97-E143 HydrophobicContact CG2-CG 4.42Å; T97-E143 WeakPolarHBondContact CG2-OE2 3.43Å
98L97.9Very high97.1Very high0 Ų063.6 Ų63.60%032%0.321CS..Hα-helixtrans-64.6-35.2176.8-65.3176.1000111.9R100 L101 Q102 L140 V141 E143 A145 F148 A163 A166 I167L98-R100 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 3.43Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-Q102 WeakPolarHBondContact O-CB 3.39Å; L98-Q102 PolarHBondContact O-N 3.42Å; L98-L140 HydrophobicContact CD2-CD1 4.18Å; L98-L140 HydrophobicContact CD2-CD2 4.4Å; L98-L140 HydrophobicContact CD2-CG 4.42Å; L98-V141 PolarHBondContact N-O 3.09Å; L98-E143 PolarHBondContact N-O 3.09Å; L98-A145 HydrophobicContact CD1-CB 3.98Å; L98-F148 HydrophobicContact CB-CB 4.17Å; L98-F148 HydrophobicContact CB-CD2 4Å; L98-F148 HydrophobicContact CB-CG 4.14Å; L98-F148 HydrophobicContact CD1-CB 4.38Å; L98-F148 HydrophobicContact CD1-CG 4.44Å; L98-F148 HydrophobicContact CD2-CD2 4.34Å; L98-F148 HydrophobicContact CD2-CG 4.37Å; L98-A163 HydrophobicContact CD1-CB 4.34Å; L98-A166 HydrophobicContact CD1-CB 3.6Å; L98-I167 HydrophobicContact CD2-CD1 3.96Å; L98-I167 HydrophobicContact CD2-CG1 4.03Å
99N97.6Very high97.2Very high62 Ų6265.9 Ų65.933%0.33232%0.321SS..Hα-helixtrans-57.2-44.8171.1-82.3-18.7000112T97 L101 Y103 E143 G144T97-N99 VanDerWaalsContact C-N 3.29Å; T97-N99 PolarHBondContact O-N 2.92Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-Y103 WeakPolarHBondContact O-CB 3.34Å; N99-Y103 PolarHBondContact O-N 2.99Å; N99-E143 PolarHBondContact N-O 3.3Å; N99-E143 VanDerWaalsContact N-O 3.15Å; N99-G144 WeakPolarHBondContact OD1-CA 3.49Å
100R97.7Very high97.3Very high82 Ų8255.8 Ų55.831%0.30928%0.283SS..Hα-helixtrans-66.4-39.8178178.357175.1176.1-0.5111.2L96 T97 L98 Y103 L104 R125L96-R100 HydrophobicContact CD1-CB 4.3Å; L96-R100 HydrophobicContact CD1-CG 4.02Å; T97-R100 WeakPolarHBondContact O-CB 3.45Å; T97-R100 PolarHBondContact O-N 3.38Å; T97-R100 VanDerWaalsContact O-N 3.14Å; T97-R100 VanDerWaalsContact OG1-CB 3.26Å; T97-R100 WeakPolarHBondContact OG1-CB 3.42Å; T97-R100 PolarHBondContact OG1-N 2.93Å; L98-R100 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 3.43Å; R100-Y103 VanDerWaalsContact NH1-CD1 3.25Å; R100-L104 HydrophobicContact CG-CD1 4.17Å; R100-L104 WeakPolarHBondContact O-CD1 3.46Å; R100-L104 VanDerWaalsContact O-CG 3.22Å; R100-L104 WeakPolarHBondContact O-CG 3.36Å; R100-L104 PolarHBondContact O-N 3.12Å; R100-L104 VanDerWaalsContact O-N 3.12Å; R100-R125 PolarHBondContact NH2-O 2.77Å
101L97.8Very high97.4Very high0 Ų053.3 Ų53.30%028%0.279CS..Hα-helixtrans-64-48.4178.3-168.2154.3000111.2L96 T97 L98 N99 Y103 L104 I105 L140 F148 I154L96-L101 HydrophobicContact CD2-CD1 4.25Å; T97-L101 PolarHBondContact O-N 3.45Å; L98-L101 PolarHBondContact O-N 3.01Å; N99-L101 VanDerWaalsContact C-N 3.34Å; L101-Y103 PolarHBondContact O-N 2.93Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-I105 HydrophobicContact CD2-CD1 3.49Å; L101-I105 VanDerWaalsContact CD2-CD1 3.49Å; L101-I105 HydrophobicContact CD2-CG1 4.36Å; L101-I105 PolarHBondContact O-N 2.98Å; L101-I105 VanDerWaalsContact O-N 3.16Å; L101-L140 HydrophobicContact CD1-CD1 4.35Å; L101-F148 HydrophobicContact CD2-CE2 3.45Å; L101-F148 VanDerWaalsContact CD2-CE2 3.45Å; L101-F148 HydrophobicContact CD2-CZ 3.79Å; L101-I154 HydrophobicContact CD1-CD1 3.41Å; L101-I154 VanDerWaalsContact CD1-CD1 3.41Å
102Q97.7Very high97.4Very high29 Ų2953.1 Ų53.114%0.13627%0.274CS..Hα-helixtrans-57.5-48.5175.6-171.364.555.800111.3L98 L104 I105 D106 F148 A149 A150L98-Q102 WeakPolarHBondContact O-CB 3.39Å; L98-Q102 PolarHBondContact O-N 3.42Å; Q102-L104 PolarHBondContact O-N 3.39Å; Q102-I105 WeakPolarHBondContact O-CB 3.46Å; Q102-I105 PolarHBondContact O-N 3.39Å; Q102-D106 PolarHBondContact NE2-OD1 3.39Å; Q102-D106 PolarHBondContact O-N 2.97Å; Q102-F148 HydrophobicContact CB-CD2 4.07Å; Q102-F148 HydrophobicContact CB-CE2 4.39Å; Q102-A149 VanDerWaalsContact OE1-N 3.15Å; Q102-A150 VanDerWaalsContact OE1-N 3.16Å
103Y97.8Very high97.3Very high117 Ų11751.9 Ų51.946%0.45927%0.273SS..Hα-helixtrans-55.8-37.2177.1174.4-96.7000113.3N99 R100 L101 L107N99-Y103 WeakPolarHBondContact O-CB 3.34Å; N99-Y103 PolarHBondContact O-N 2.99Å; R100-Y103 VanDerWaalsContact NH1-CD1 3.25Å; L101-Y103 PolarHBondContact O-N 2.93Å; Y103-L107 HydrophobicContact CD1-CD1 4.04Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.26Å; Y103-L107 HydrophobicContact CE2-CD1 4.02Å; Y103-L107 HydrophobicContact CE2-CG 4.27Å; Y103-L107 WeakPolarHBondContact O-CB 3.48Å; Y103-L107 WeakPolarHBondContact O-CG 3.48Å; Y103-L107 PolarHBondContact O-N 2.78Å; Y103-L107 WeakPolarHBondContact OH-CD1 3.43Å
104L97.8Very high97.2Very high0 Ų055.3 Ų55.30%029%0.291CS..Hα-helixtrans-72.2-32.8178.6-68.9165.4000112.4R100 L101 Q102 R109 I110R100-L104 HydrophobicContact CG-CD1 4.17Å; R100-L104 WeakPolarHBondContact O-CD1 3.46Å; R100-L104 VanDerWaalsContact O-CG 3.22Å; R100-L104 WeakPolarHBondContact O-CG 3.36Å; R100-L104 PolarHBondContact O-N 3.12Å; R100-L104 VanDerWaalsContact O-N 3.12Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-L104 VanDerWaalsContact O-N 3.15Å; Q102-L104 PolarHBondContact O-N 3.39Å; L104-R109 HydrophobicContact CD2-CB 4.4Å; L104-R109 PolarHBondContact O-N 3.2Å; L104-I110 HydrophobicContact CB-CB 4.46Å; L104-I110 HydrophobicContact CB-CD1 3.68Å; L104-I110 HydrophobicContact CB-CG1 4.02Å; L104-I110 HydrophobicContact CD1-CD1 3.68Å; L104-I110 HydrophobicContact CG-CD1 4.26Å; L104-I110 PolarHBondContact O-N 3.02Å
105I97.6Very high97.2Very high24 Ų2452.5 Ų52.512%0.12328%0.28CS..Hα-helixtrans-70.5-46.7174.3-67.3173.2000110.1L101 Q102 L107 G108 I110 P112 A150 V152L101-I105 HydrophobicContact CD2-CD1 3.49Å; L101-I105 VanDerWaalsContact CD2-CD1 3.49Å; L101-I105 HydrophobicContact CD2-CG1 4.36Å; L101-I105 PolarHBondContact O-N 2.98Å; L101-I105 VanDerWaalsContact O-N 3.16Å; Q102-I105 WeakPolarHBondContact O-CB 3.46Å; Q102-I105 PolarHBondContact O-N 3.39Å; I105-L107 PolarHBondContact O-N 3.41Å; I105-G108 WeakPolarHBondContact O-CA 3.4Å; I105-G108 PolarHBondContact O-N 3.02Å; I105-I110 HydrophobicContact CG1-CB 4.39Å; I105-I110 HydrophobicContact CG1-CG2 4.47Å; I105-P112 HydrophobicContact CD1-CB 4.42Å; I105-P112 HydrophobicContact CG2-CG 4.09Å; I105-A150 HydrophobicContact CD1-CB 3.53Å; I105-V152 HydrophobicContact CD1-CG1 3.76Å
106D97.3Very high97.1Very high115 Ų11549.6 Ų49.662%0.61526%0.261SS*.Hα-helixtrans-62.5-33.7-178.6-60.6-19.5000112Q102 G108Q102-D106 PolarHBondContact NE2-OD1 3.39Å; Q102-D106 PolarHBondContact O-N 2.97Å; D106-G108 PolarHBondContact O-N 2.86Å
107L97.7Very high97Very high95 Ų9549.6 Ų49.650%0.49726%0.26SS..THydrogen-bonded Turntrans-76.4-4.3172.6-72.9-175.1000114.3Y103 I105 R109Y103-L107 HydrophobicContact CD1-CD1 4.04Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.26Å; Y103-L107 HydrophobicContact CE2-CD1 4.02Å; Y103-L107 HydrophobicContact CE2-CG 4.27Å; Y103-L107 WeakPolarHBondContact O-CB 3.48Å; Y103-L107 WeakPolarHBondContact O-CG 3.48Å; Y103-L107 PolarHBondContact O-N 2.78Å; Y103-L107 WeakPolarHBondContact OH-CD1 3.43Å; I105-L107 PolarHBondContact O-N 3.41Å; L107-R109 HydrophobicContact CB-CG 3.87Å; L107-R109 PolarHBondContact O-N 3.35Å
108G96.6Very high96.9Very high64 Ų6448.2 Ų48.266%0.6625%0.252SS*.THydrogen-bonded Turntrans66.721.3-175.100000114I105 D106I105-G108 WeakPolarHBondContact O-CA 3.4Å; I105-G108 PolarHBondContact O-N 3.02Å; D106-G108 PolarHBondContact O-N 2.86Å
109R96.7Very high96.9Very high106 Ų10649 Ų4940%0.426%0.257SS..SBendtrans-82.7-25.9178.1-59.4-173.375.9-166.58112.4L104 L107 G124L104-R109 HydrophobicContact CD2-CB 4.4Å; L104-R109 PolarHBondContact O-N 3.2Å; L107-R109 HydrophobicContact CB-CG 3.87Å; L107-R109 PolarHBondContact O-N 3.35Å; R109-G124 PolarHBondContact NE-O 2.88Å; R109-G124 PolarHBondContact NH1-O 3.2Å; R109-G124 PolarHBondContact NH2-O 2.98Å
110I97.1Very high96.8Very high5 Ų549.5 Ų49.53%0.02626%0.257CS..SBendtrans-125.1127.4174-63.1177.6000106.8L104 I105 I116 L121L104-I110 HydrophobicContact CB-CB 4.46Å; L104-I110 HydrophobicContact CB-CD1 3.68Å; L104-I110 HydrophobicContact CB-CG1 4.02Å; L104-I110 HydrophobicContact CD1-CD1 3.68Å; L104-I110 HydrophobicContact CG-CD1 4.26Å; L104-I110 PolarHBondContact O-N 3.02Å; I105-I110 HydrophobicContact CG1-CB 4.39Å; I105-I110 HydrophobicContact CG1-CG2 4.47Å; I110-I116 HydrophobicContact CG2-CD1 3.69Å; I110-I116 HydrophobicContact CG2-CG1 3.89Å; I110-I116 HydrophobicContact CG2-CG2 4.3Å; I110-L121 HydrophobicContact CD1-CD2 3.63Å
111D95.9Very high96.8Very high77 Ų7745.6 Ų45.641%0.41224%0.243SC..  trans-91.6117.1177.9-175.4-4.4000109.7T113D111-T113 PolarHBondContact O-N 3.28Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.45Å; D111-T113 PolarHBondContact OD1-N 3.38Å; D111-T113 PolarHBondContact OD1-OG1 3.44Å; D111-T113 PolarHBondContact OD2-OG1 2.99Å
112P95.9Very high96.7Very high37 Ų3747 Ų4724%0.2425%0.251CS..THydrogen-bonded Turntrans-72.8-10.8178.831.7-36.3000113.2I105 Q114 V152 M255I105-P112 HydrophobicContact CD1-CB 4.42Å; I105-P112 HydrophobicContact CG2-CG 4.09Å; P112-Q114 PolarHBondContact O-N 3.12Å; P112-V152 HydrophobicContact CB-CG1 3.76Å; P112-M255 WeakPolarHBondContact O-CE 3.49Å
113T95.1Very high96.7Very high73 Ų7349.3 Ų49.345%0.44826%0.264SS..THydrogen-bonded Turntrans-76.2-8.2178.170.50000113.3D111 M255D111-T113 PolarHBondContact O-N 3.28Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.45Å; D111-T113 PolarHBondContact OD1-N 3.38Å; D111-T113 PolarHBondContact OD1-OG1 3.44Å; D111-T113 PolarHBondContact OD2-OG1 2.99Å; T113-M255 WeakPolarHBondContact O-CG 3.33Å
114Q95.3Very high96.5Very high100 Ų10043.9 Ų43.947%0.46724%0.244SC..SBendtrans-118.9157.4176.5-61.1-1761300110.8P112 I116P112-Q114 PolarHBondContact O-N 3.12Å; Q114-I116 PolarHBondContact O-N 3.14Å
115P96.8Very high96.5Very high23 Ų2352 Ų5215%0.14928%0.275CS..  trans-59.5124.4173.2-22.534.1000111.5D117 M255 M258 F267P115-D117 PolarHBondContact O-N 3.4Å; P115-M255 HydrophobicContact CG-CG 4.22Å; P115-M255 HydrophobicContact CG-SD 4.32Å; P115-M258 HydrophobicContact CG-CB 4.27Å; P115-M258 HydrophobicContact CG-SD 4.42Å; P115-F267 HydrophobicContact CB-CE1 4.21Å; P115-F267 HydrophobicContact CB-CE2 3.93Å; P115-F267 HydrophobicContact CB-CZ 3.75Å; P115-F267 HydrophobicContact CG-CE1 4.39Å; P115-F267 HydrophobicContact CG-CZ 4.41Å
116I97.4Very high96.3Very high2 Ų251.4 Ų51.41%0.0128%0.275CS..BIsolated β-bridgetrans-84.9103.1178.8-56.3178.3000108.5I110 Q114 L121 V152 N153 I154 E155I110-I116 HydrophobicContact CG2-CD1 3.69Å; I110-I116 HydrophobicContact CG2-CG1 3.89Å; I110-I116 HydrophobicContact CG2-CG2 4.3Å; Q114-I116 PolarHBondContact O-N 3.14Å; I116-L121 HydrophobicContact CG2-CD1 4.46Å; I116-L121 HydrophobicContact CG2-CD2 4.02Å; I116-L121 HydrophobicContact CG2-CG 3.98Å; I116-V152 HydrophobicContact CD1-CB 3.73Å; I116-V152 HydrophobicContact CD1-CG1 3.57Å; I116-V152 HydrophobicContact CD1-CG2 4.41Å; I116-N153 PolarHBondContact N-O 2.73Å; I116-I154 HydrophobicContact CB-CB 4.21Å; I116-I154 HydrophobicContact CB-CG1 4.09Å; I116-I154 HydrophobicContact CG2-CD1 4.06Å; I116-I154 HydrophobicContact CG2-CG1 4Å; I116-I154 WeakPolarHBondContact O-CA 3.47Å; I116-E155 PolarHBondContact O-N 2.93Å
117D95.6Very high96.2Very high1 Ų146.4 Ų46.41%0.00525%0.248CC..  trans-104.6170.5174.1-168.816.9000111.3P115 T119 Q120 L121 K260 F267P115-D117 PolarHBondContact O-N 3.4Å; D117-T119 PolarHBondContact O-N 3.16Å; D117-Q120 PolarHBondContact O-N 2.96Å; D117-L121 PolarHBondContact O-N 3.01Å; D117-K260 IonicContact OD1-NZ 3.92Å; D117-K260 PolarHBondContact OD1-NZ 3.03Å; D117-K260 IonicContact OD2-NZ 3.82Å; D117-K260 PolarHBondContact OD2-NZ 3.24Å; D117-F267 HydrophobicContact CB-CD2 4.43Å; D117-F267 HydrophobicContact CB-CE2 4.06Å
118L96.5Very high96.1Very high0 Ų046.5 Ų46.50%025%0.253CS..Hα-helixtrans-55.5-34.3172.3-75.1-172.1000112.7Q120 L121 V122 I129 V138 Y179 L184 L187L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 3.28Å; L118-L121 HydrophobicContact CD2-CD1 4.16Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-V122 WeakPolarHBondContact O-CB 3.45Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 2.77Å; L118-I129 HydrophobicContact CD1-CD1 4.16Å; L118-I129 HydrophobicContact CD2-CD1 3.82Å; L118-I129 HydrophobicContact CG-CD1 4.5Å; L118-V138 HydrophobicContact CD2-CB 3.94Å; L118-V138 HydrophobicContact CD2-CG2 3.44Å; L118-V138 VanDerWaalsContact CD2-CG2 3.44Å; L118-Y179 HydrophobicContact CD1-CD2 4.46Å; L118-L184 HydrophobicContact CD1-CD1 3.45Å; L118-L184 VanDerWaalsContact CD1-CD1 3.45Å; L118-L187 HydrophobicContact CB-CD2 3.61Å; L118-L187 HydrophobicContact CB-CG 4.31Å; L118-L187 HydrophobicContact CD1-CD2 3.86Å; L118-L187 HydrophobicContact CG-CD2 4.18Å
119T96.3Very high96.1Very high18 Ų1844.2 Ų44.211%0.1123%0.226CC..Hα-helixtrans-55.6-48.8174.752.70000111.3D117 V122 N123 L187 F266D117-T119 PolarHBondContact O-N 3.16Å; T119-V122 PolarHBondContact O-N 3.31Å; T119-N123 VanDerWaalsContact O-CB 3.31Å; T119-N123 WeakPolarHBondContact O-CB 3.47Å; T119-N123 PolarHBondContact O-N 3.32Å; T119-N123 PolarHBondContact O-ND2 3.4Å; T119-L187 HydrophobicContact CG2-CD1 3.47Å; T119-L187 VanDerWaalsContact CG2-CD1 3.47Å; T119-L187 HydrophobicContact CG2-CG 3.7Å; T119-L187 WeakPolarHBondContact CG2-O 3.4Å; T119-F266 HydrophobicContact CG2-CD1 4.09Å; T119-F266 HydrophobicContact CG2-CE1 4.02Å
120Q96.4Very high96.1Very high72 Ų7242.9 Ų42.934%0.33622%0.224SC..Hα-helixtrans-68.5-38.9-179.8-61.3-57.3-19.800111.4D117 L118 V122 N123 G124D117-Q120 PolarHBondContact O-N 2.96Å; L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 3.28Å; Q120-V122 PolarHBondContact O-N 3.02Å; Q120-N123 PolarHBondContact O-N 3.32Å; Q120-G124 PolarHBondContact O-N 3.46Å
121L96.9Very high96Very high0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-63.9-39.2176-68.1168.6000112.4L96 I110 I116 D117 L118 R125 G126 V127L96-L121 HydrophobicContact CD2-CD1 3.92Å; L96-L121 HydrophobicContact CD2-CD2 3.89Å; I110-L121 HydrophobicContact CD1-CD2 3.63Å; I116-L121 HydrophobicContact CG2-CD1 4.46Å; I116-L121 HydrophobicContact CG2-CD2 4.02Å; I116-L121 HydrophobicContact CG2-CG 3.98Å; D117-L121 PolarHBondContact O-N 3.01Å; L118-L121 HydrophobicContact CD2-CD1 4.16Å; L118-L121 PolarHBondContact O-N 3.45Å; L121-R125 PolarHBondContact O-N 3.2Å; L121-G126 PolarHBondContact O-N 3.22Å; L121-V127 HydrophobicContact CB-CG2 3.87Å
122V97.1Very high95.9Very high29 Ų2950 Ų5018%0.17626%0.258CS..Hα-helixtrans-73.1-42.2176.4174.70000111.1L118 T119 Q120 G124 R125 V127 I129 C188L118-V122 WeakPolarHBondContact O-CB 3.45Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 2.77Å; T119-V122 PolarHBondContact O-N 3.31Å; Q120-V122 PolarHBondContact O-N 3.02Å; V122-G124 VanDerWaalsContact C-N 3.32Å; V122-G124 PolarHBondContact O-N 3.45Å; V122-R125 WeakPolarHBondContact O-CA 3.27Å; V122-R125 WeakPolarHBondContact O-CD 3.31Å; V122-R125 PolarHBondContact O-N 2.95Å; V122-V127 HydrophobicContact CG2-CG2 4.39Å; V122-I129 HydrophobicContact CG2-CD1 4.29Å; V122-C188 WeakPolarHBondContact CG1-O 3.5Å
123N96.4Very high95.9Very high77 Ų7754.3 Ų54.341%0.41227%0.273SS..Hα-helixtrans-63.2-37174.6-71.8-19.9000112T119 Q120 R125T119-N123 VanDerWaalsContact O-CB 3.31Å; T119-N123 WeakPolarHBondContact O-CB 3.47Å; T119-N123 PolarHBondContact O-N 3.32Å; T119-N123 PolarHBondContact O-ND2 3.4Å; Q120-N123 PolarHBondContact O-N 3.32Å; N123-R125 WeakPolarHBondContact O-CD 3.44Å; N123-R125 PolarHBondContact O-N 3.06Å; N123-R125 PolarHBondContact O-NH1 3.02Å
124G95.1Very high95.9Very high4 Ų455 Ų554%0.04127%0.267CS..THydrogen-bonded Turntrans-75-2.5172.100000113.5R109 Q120 V122 G126R109-G124 PolarHBondContact NE-O 2.88Å; R109-G124 PolarHBondContact NH1-O 3.2Å; R109-G124 PolarHBondContact NH2-O 2.98Å; Q120-G124 PolarHBondContact O-N 3.46Å; V122-G124 VanDerWaalsContact C-N 3.32Å; V122-G124 PolarHBondContact O-N 3.45Å; G124-G126 PolarHBondContact O-N 3.06Å; G124-G126 VanDerWaalsContact O-N 3.1Å
125R96.2Very high96Very high169 Ų16951 Ų5164%0.63825%0.249SC*.THydrogen-bonded Turntrans44.841.2-172-64.164.9179.2-174.64.4110.8R100 L121 V122 N123R100-R125 PolarHBondContact NH2-O 2.77Å; L121-R125 PolarHBondContact O-N 3.2Å; V122-R125 WeakPolarHBondContact O-CA 3.27Å; V122-R125 WeakPolarHBondContact O-CD 3.31Å; V122-R125 PolarHBondContact O-N 2.95Å; N123-R125 WeakPolarHBondContact O-CD 3.44Å; N123-R125 PolarHBondContact O-N 3.06Å; N123-R125 PolarHBondContact O-NH1 3.02Å
126G93.1Very high96Very high12 Ų1252.6 Ų52.612%0.12425%0.252CS..SBendtrans-76.5-41.317500000110.9L121 G124L121-G126 PolarHBondContact O-N 3.22Å; G124-G126 PolarHBondContact O-N 3.06Å; G124-G126 VanDerWaalsContact O-N 3.1Å
127V95.6Very high96Very high10 Ų1052.5 Ų52.56%0.06125%0.252CS..  trans-131.2153.8177-61.10000110.2L96 L121 V122 I129 V138L96-V127 HydrophobicContact CB-CG1 4.24Å; L96-V127 HydrophobicContact CD1-CG1 3.93Å; L96-V127 HydrophobicContact CG-CG1 4.5Å; L121-V127 HydrophobicContact CB-CG2 3.87Å; V122-V127 HydrophobicContact CG2-CG2 4.39Å; V127-I129 HydrophobicContact CG2-CD1 4.12Å; V127-I129 HydrophobicContact CG2-CG1 4.12Å; V127-V138 HydrophobicContact CB-CG2 4.35Å; V127-V138 HydrophobicContact CG1-CG2 4.26Å; V127-V138 HydrophobicContact CG2-CG2 3.96Å
128T96.5Very high96.1Very high98 Ų9852.5 Ų52.560%0.60125%0.252SS*.  trans-120.5113.5171.6-59.20000108.2
129I96.5Very high96.1Very high16 Ų1656 Ų568%0.08227%0.268CS..  trans-106.4138.4-177.6-55.1170.6000108.6L118 V122 V127 D135 V138 L184L118-I129 HydrophobicContact CD1-CD1 4.16Å; L118-I129 HydrophobicContact CD2-CD1 3.82Å; L118-I129 HydrophobicContact CG-CD1 4.5Å; V122-I129 HydrophobicContact CG2-CD1 4.29Å; V127-I129 HydrophobicContact CG2-CD1 4.12Å; V127-I129 HydrophobicContact CG2-CG1 4.12Å; I129-D135 HydrophobicContact CG2-CB 3.78Å; I129-V138 HydrophobicContact CD1-CG2 3.71Å; I129-V138 HydrophobicContact CG1-CG2 4.23Å; I129-L184 HydrophobicContact CG2-CD2 4.07Å; I129-L184 HydrophobicContact CG2-CG 4.46Å
130Q95.7Very high96.2Very high78 Ų7855.2 Ų55.236%0.36426%0.263SS..  trans-124.288.1179.8-61.4-176.110.100109.7Q132 K133 D135Q130-Q132 PolarHBondContact O-N 2.94Å; Q130-K133 HydrophobicContact CB-CB 4.17Å; Q130-K133 HydrophobicContact CB-CD 4.35Å; Q130-K133 HydrophobicContact CB-CG 4.16Å; Q130-K133 PolarHBondContact O-N 3.12Å; Q130-D135 WeakPolarHBondContact CA-OD2 3.48Å; Q130-D135 PolarHBondContact N-OD2 3.13Å
131P94.8Very high96.3Very high36 Ų3654.2 Ų54.223%0.23426%0.262CS..G310 helixtrans-53.4-32.5-179.3-27.134000113.8K133 R134 L184 A185P131-K133 PolarHBondContact O-N 3.12Å; P131-R134 PolarHBondContact O-N 3.1Å; P131-L184 HydrophobicContact CB-CD2 4.46Å; P131-L184 HydrophobicContact CG-CD2 4.28Å; P131-L184 HydrophobicContact CG-CG 4.28Å; P131-A185 HydrophobicContact CB-CB 4.18Å; P131-A185 HydrophobicContact CG-CB 4.08Å
132Q94.6Very high96.3Very high195 Ų19554.4 Ų54.491%0.91126%0.264SS*.G310 helixtrans-65-22.8176.8-67.1179.7-15.100114Q130 R134Q130-Q132 PolarHBondContact O-N 2.94Å; Q132-R134 VanDerWaalsContact C-N 3.3Å
133K95.9Very high96.3Very high128 Ų12858.8 Ų58.856%0.55728%0.283SS*.G310 helixtrans-91.613.3177.5-68.8-165.7179.9160.70113.7Q130 P131 D135Q130-K133 HydrophobicContact CB-CB 4.17Å; Q130-K133 HydrophobicContact CB-CD 4.35Å; Q130-K133 HydrophobicContact CB-CG 4.16Å; Q130-K133 PolarHBondContact O-N 3.12Å; P131-K133 PolarHBondContact O-N 3.12Å; K133-D135 VanDerWaalsContact C-N 3.27Å
134R95.1Very high96.3Very high88 Ų8855.9 Ų55.933%0.33227%0.27SS..THydrogen-bonded Turntrans67.330.5-177.1-50.7157.1-171.5161-1.2112.4H87 S88 Q92 P131 Q132 Y136H87-R134 PolarHBondContact O-NH1 2.94Å; S88-R134 VanDerWaalsContact CA-CZ 3.4Å; S88-R134 WeakPolarHBondContact O-CD 3.18Å; S88-R134 PolarHBondContact O-NE 2.99Å; S88-R134 PolarHBondContact O-NH1 3.2Å; S88-R134 PolarHBondContact O-NH2 2.91Å; Q92-R134 PolarHBondContact N-O 3.22Å; P131-R134 PolarHBondContact O-N 3.1Å; Q132-R134 VanDerWaalsContact C-N 3.3Å; R134-Y136 HydrophobicContact CB-CE2 4.42Å; R134-Y136 VanDerWaalsContact O-CD2 3.23Å; R134-Y136 WeakPolarHBondContact O-CD2 3.42Å
135D97.3Very high96.3Very high15 Ų1556.3 Ų56.38%0.0827%0.274CS..EExtended strand (participates in β ladder)trans-71.5130.2163.9-61.9-12.4000107.9Q92 I129 Q130 K133 L184Q92-D135 CarbonylContact O-C 3.53Å; Q92-D135 VanDerWaalsContact O-CA 3.3Å; Q92-D135 WeakPolarHBondContact O-CA 3.05Å; I129-D135 HydrophobicContact CG2-CB 3.78Å; Q130-D135 WeakPolarHBondContact CA-OD2 3.48Å; Q130-D135 PolarHBondContact N-OD2 3.13Å; K133-D135 VanDerWaalsContact C-N 3.27Å; D135-L184 WeakPolarHBondContact O-CD2 3.42Å
136Y96.9Very high96.2Very high57 Ų5752 Ų5222%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-104.9-3.5174.8-78.1-97.6000112.2A91 Q92 R134 Q157 F178 P181A91-Y136 HydrophobicContact CB-CD2 3.37Å; A91-Y136 HydrophobicContact CB-CE2 3.76Å; A91-Y136 HydrophobicContact CB-CG 3.95Å; Q92-Y136 PolarHBondContact O-N 3.05Å; R134-Y136 HydrophobicContact CB-CE2 4.42Å; R134-Y136 VanDerWaalsContact O-CD2 3.23Å; R134-Y136 WeakPolarHBondContact O-CD2 3.42Å; Y136-Q157 WeakPolarHBondContact O-CG 3.34Å; Y136-F178 HydrophobicContact CD1-CE2 4.14Å; Y136-F178 HydrophobicContact CD1-CZ 4.5Å; Y136-P181 HydrophobicContact CE1-CG 3.81Å
137G96.8Very high96.3Very high0 Ų057.7 Ų57.70%031%0.309CS..EExtended strand (participates in β ladder)trans148-137.3173.800000112.5Y93 Q94Y93-G137 WeakPolarHBondContact CA-O 3.31Å; Q94-G137 PolarHBondContact N-O 2.69Å
138V98Very high96.4Very high0 Ų057.7 Ų57.70%031%0.308CS..EExtended strand (participates in β ladder)trans-123.9138.4-173.11750000109.7Q94 L96 L118 V127 I129 Q157 M158Q94-V138 VanDerWaalsContact O-CA 3.29Å; Q94-V138 WeakPolarHBondContact O-CA 2.68Å; Q94-V138 WeakPolarHBondContact O-CG1 3.39Å; L96-V138 HydrophobicContact CB-CG1 3.36Å; L96-V138 HydrophobicContact CD2-CG1 4.01Å; L96-V138 HydrophobicContact CG-CG1 4.34Å; L118-V138 HydrophobicContact CD2-CB 3.94Å; L118-V138 HydrophobicContact CD2-CG2 3.44Å; L118-V138 VanDerWaalsContact CD2-CG2 3.44Å; V127-V138 HydrophobicContact CB-CG2 4.35Å; V127-V138 HydrophobicContact CG1-CG2 4.26Å; V127-V138 HydrophobicContact CG2-CG2 3.96Å; I129-V138 HydrophobicContact CD1-CG2 3.71Å; I129-V138 HydrophobicContact CG1-CG2 4.23Å; V138-Q157 PolarHBondContact O-N 2.96Å; V138-Q157 PolarHBondContact O-OE1 3.42Å; V138-M158 PolarHBondContact O-N 3.28Å
139Q97.9Very high96.4Very high73 Ų7356.4 Ų56.434%0.34131%0.307SS..EExtended strand (participates in β ladder)trans-105.3125.2169.360.8-179-31.900109.1Y93 Q94 P95 L96 V141 M158Y93-Q139 PolarHBondContact O-NE2 3.33Å; Q94-Q139 PolarHBondContact O-N 3.43Å; P95-Q139 CarbonylContact C-O 3.6Å; P95-Q139 WeakPolarHBondContact CA-O 3.46Å; P95-Q139 HydrophobicContact CB-CG 4.21Å; L96-Q139 PolarHBondContact N-O 3.28Å; Q139-V141 HydrophobicContact CG-CG2 4.31Å; Q139-M158 CarbonylContact C-O 3.59Å; Q139-M158 WeakPolarHBondContact CA-O 3.2Å; Q139-M158 HydrophobicContact CB-CB 4.01Å
140L98.3Very high96.4Very high3 Ų356.1 Ų56.12%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-84.4123.8176.4-169.373.7000109.9L96 L98 L101 V156 M158 A159 S160 A163 I167L96-L140 HydrophobicContact CB-CD1 4.46Å; L96-L140 HydrophobicContact CD2-CD1 4.14Å; L96-L140 HydrophobicContact CG-CD1 4.15Å; L96-L140 WeakPolarHBondContact O-CA 3.35Å; L98-L140 HydrophobicContact CD2-CD1 4.18Å; L98-L140 HydrophobicContact CD2-CD2 4.4Å; L98-L140 HydrophobicContact CD2-CG 4.42Å; L101-L140 HydrophobicContact CD1-CD1 4.35Å; L140-V156 HydrophobicContact CB-CB 4.48Å; L140-V156 HydrophobicContact CB-CG1 4.25Å; L140-V156 HydrophobicContact CB-CG2 4.05Å; L140-M158 PolarHBondContact N-O 3.04Å; L140-A159 HydrophobicContact CB-CB 4.09Å; L140-A159 HydrophobicContact CD2-CB 4.47Å; L140-S160 PolarHBondContact O-N 3.14Å; L140-A163 HydrophobicContact CD2-CB 3.82Å; L140-A163 HydrophobicContact CG-CB 3.87Å; L140-I167 HydrophobicContact CD2-CD1 3.53Å
141V98Very high96.4Very high50 Ų5055.5 Ų55.530%0.30330%0.303SS..EExtended strand (participates in β ladder)trans-115.4139.2-173.8-174.10000109.9P95 L96 L98 Q139 E143P95-V141 HydrophobicContact CB-CG2 4.03Å; L96-V141 PolarHBondContact O-N 3.09Å; L98-V141 PolarHBondContact N-O 3.09Å; Q139-V141 HydrophobicContact CG-CG2 4.31Å; V141-E143 PolarHBondContact O-N 3.43Å
142G96.4Very high96.5Very high5 Ų553.8 Ų53.85%0.05229%0.292CS..  trans-681.7-175.800000116.3G144 A145 S160G142-G144 PolarHBondContact O-N 3.15Å; G142-G144 VanDerWaalsContact O-N 3.08Å; G142-A145 VanDerWaalsContact O-CB 3.22Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.44Å; G142-S160 PolarHBondContact N-OG 3.28Å
143E97.6Very high96.7Very high121 Ų12144.8 Ų44.857%0.56525%0.25SS*.THydrogen-bonded Turntrans-62.3115.5178-172.1-173.2161.300110.5T97 L98 N99 V141T97-E143 HydrophobicContact CG2-CB 3.85Å; T97-E143 HydrophobicContact CG2-CG 4.42Å; T97-E143 WeakPolarHBondContact CG2-OE2 3.43Å; L98-E143 PolarHBondContact N-O 3.09Å; N99-E143 PolarHBondContact N-O 3.3Å; N99-E143 VanDerWaalsContact N-O 3.15Å; V141-E143 PolarHBondContact O-N 3.43Å
144G95.6Very high96.8Very high15 Ų1538.7 Ų38.716%0.15522%0.224CC..THydrogen-bonded Turntrans99.95.7-173.400000115.5N99 G142 G146 I147 F148N99-G144 WeakPolarHBondContact OD1-CA 3.49Å; G142-G144 PolarHBondContact O-N 3.15Å; G142-G144 VanDerWaalsContact O-N 3.08Å; G144-G146 PolarHBondContact O-N 3Å; G144-G146 VanDerWaalsContact O-N 3.1Å; G144-I147 PolarHBondContact O-N 3.08Å; G144-I147 VanDerWaalsContact O-N 3.09Å; G144-F148 PolarHBondContact O-N 3.3Å; G144-F148 VanDerWaalsContact O-N 3.09Å
145A95.5Very high96.9Very high14 Ų1435 Ų3512%0.11621%0.21CC..THydrogen-bonded Turntrans-54-30.4-178.200000114.9L98 G142 E162 A166L98-A145 HydrophobicContact CD1-CB 3.98Å; G142-A145 VanDerWaalsContact O-CB 3.22Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.44Å; A145-E162 HydrophobicContact CB-CG 4.06Å; A145-A166 HydrophobicContact CB-CB 3.85Å
146G94.2Very high97Very high79 Ų7934.3 Ų34.381%0.81421%0.207SC*.THydrogen-bonded Turntrans-76-25.4179.500000115.2G144G144-G146 PolarHBondContact O-N 3Å; G144-G146 VanDerWaalsContact O-N 3.1Å
147I95.8Very high97Very high131 Ų13131.7 Ų31.767%0.67220%0.196SC*.THydrogen-bonded Turntrans-101.6-23.5-175.6-56.8169.3000110.8G144 A149G144-I147 PolarHBondContact O-N 3.08Å; G144-I147 VanDerWaalsContact O-N 3.09Å; I147-A149 PolarHBondContact O-N 3.4Å
148F97.5Very high97.1Very high9 Ų934.1 Ų34.14%0.03921%0.208CC..  trans-58.5122.4-177.7-172.7-102.8000111.9L98 L101 Q102 G144 A150 V152 I167 N170L98-F148 HydrophobicContact CB-CB 4.17Å; L98-F148 HydrophobicContact CB-CD2 4Å; L98-F148 HydrophobicContact CB-CG 4.14Å; L98-F148 HydrophobicContact CD1-CB 4.38Å; L98-F148 HydrophobicContact CD1-CG 4.44Å; L98-F148 HydrophobicContact CD2-CD2 4.34Å; L98-F148 HydrophobicContact CD2-CG 4.37Å; L101-F148 HydrophobicContact CD2-CE2 3.45Å; L101-F148 VanDerWaalsContact CD2-CE2 3.45Å; L101-F148 HydrophobicContact CD2-CZ 3.79Å; Q102-F148 HydrophobicContact CB-CD2 4.07Å; Q102-F148 HydrophobicContact CB-CE2 4.39Å; G144-F148 PolarHBondContact O-N 3.3Å; G144-F148 VanDerWaalsContact O-N 3.09Å; F148-A150 HydrophobicContact CE1-CB 4.46Å; F148-A150 WeakPolarHBondContact CE1-O 3.44Å; F148-A150 HydrophobicContact CE2-CB 3.91Å; F148-A150 HydrophobicContact CZ-CB 3.72Å; F148-A150 WeakPolarHBondContact CZ-O 3.33Å; F148-V152 HydrophobicContact CZ-CG2 4.31Å; F148-I167 HydrophobicContact CD1-CG1 4.29Å; F148-I167 HydrophobicContact CE1-CB 4.43Å; F148-I167 HydrophobicContact CE1-CG1 3.67Å; F148-I167 HydrophobicContact CZ-CG1 4.24Å; F148-N170 WeakPolarHBondContact CD1-ND2 3.31Å; F148-N170 PolarHBondContact O-ND2 3.49Å
149A96.3Very high97.1Very high72 Ų7234.7 Ų34.760%0.59521%0.213SC*.  trans-127.2-5.9-175.700000113.4Q102 I147 N170Q102-A149 VanDerWaalsContact OE1-N 3.15Å; I147-A149 PolarHBondContact O-N 3.4Å; A149-N170 VanDerWaalsContact CA-ND2 3.31Å; A149-N170 WeakPolarHBondContact CA-ND2 3.16Å
150A96.4Very high97.1Very high10 Ų1033.3 Ų33.38%0.08321%0.211CC..  trans-73.9141-176.600000112.7Q102 I105 F148 V152Q102-A150 VanDerWaalsContact OE1-N 3.16Å; I105-A150 HydrophobicContact CD1-CB 3.53Å; F148-A150 HydrophobicContact CE1-CB 4.46Å; F148-A150 WeakPolarHBondContact CE1-O 3.44Å; F148-A150 HydrophobicContact CE2-CB 3.91Å; F148-A150 HydrophobicContact CZ-CB 3.72Å; F148-A150 WeakPolarHBondContact CZ-O 3.33Å; A150-V152 HydrophobicContact CB-CG1 4.17Å
151K96.6Very high97.1Very high65 Ų6537 Ų3728%0.28323%0.229SC..  trans-98.7112.2172.5-179.4171.8-179.5171.40109.1G171 D250K151-G171 WeakPolarHBondContact CE-O 3.47Å; K151-D250 WeakPolarHBondContact CE-OD2 3.47Å; K151-D250 IonicContact NZ-OD1 2.98Å; K151-D250 PolarHBondContact NZ-OD1 3.02Å; K151-D250 IonicContact NZ-OD2 3.3Å; K151-D250 PolarHBondContact NZ-OD2 3.2Å
152V97.1Very high97Very high0 Ų039.4 Ų39.40%024%0.237CC..  trans-139.9149.3-171.2-63.80000112I105 P112 I116 F148 A150 I154 I167 G172 I173I105-V152 HydrophobicContact CD1-CG1 3.76Å; P112-V152 HydrophobicContact CB-CG1 3.76Å; I116-V152 HydrophobicContact CD1-CB 3.73Å; I116-V152 HydrophobicContact CD1-CG1 3.57Å; I116-V152 HydrophobicContact CD1-CG2 4.41Å; F148-V152 HydrophobicContact CZ-CG2 4.31Å; A150-V152 HydrophobicContact CB-CG1 4.17Å; V152-I154 HydrophobicContact CG2-CB 4.42Å; V152-I154 HydrophobicContact CG2-CG2 4.36Å; V152-I167 HydrophobicContact CG2-CG2 4.18Å; V152-G172 CarbonylContact O-C 3.51Å; V152-G172 WeakPolarHBondContact O-CA 3.36Å; V152-I173 PolarHBondContact O-N 2.95Å
153N97.6Very high97.1Very high5 Ų539.2 Ų39.23%0.02723%0.234CC..EExtended strand (participates in β ladder)trans-98.1108.7160.7178.77.1000107.8I116 I173 M255 L256 M258I116-N153 PolarHBondContact N-O 2.73Å; N153-I173 WeakPolarHBondContact CA-O 3.47Å; N153-M255 HydrophobicContact CB-SD 3.89Å; N153-M255 PolarHBondContact ND2-O 3.3Å; N153-L256 HydrophobicContact CB-CD2 3.95Å; N153-L256 PolarHBondContact ND2-O 3.33Å; N153-L256 VanDerWaalsContact ND2-O 3.15Å; N153-M258 PolarHBondContact ND2-O 3.49Å
154I97.8Very high97.1Very high0 Ų033.5 Ų33.50%021%0.208CC..EExtended strand (participates in β ladder)trans-120133.5-177.5-171.6168.6000111.9L96 L101 I116 V152 V156 I167 I173 V174 T175L96-I154 HydrophobicContact CD2-CD1 4.37Å; L101-I154 HydrophobicContact CD1-CD1 3.41Å; L101-I154 VanDerWaalsContact CD1-CD1 3.41Å; I116-I154 HydrophobicContact CB-CB 4.21Å; I116-I154 HydrophobicContact CB-CG1 4.09Å; I116-I154 HydrophobicContact CG2-CD1 4.06Å; I116-I154 HydrophobicContact CG2-CG1 4Å; I116-I154 WeakPolarHBondContact O-CA 3.47Å; V152-I154 HydrophobicContact CG2-CB 4.42Å; V152-I154 HydrophobicContact CG2-CG2 4.36Å; I154-V156 HydrophobicContact CD1-CG1 3.92Å; I154-V156 HydrophobicContact CG1-CG1 3.98Å; I154-I167 HydrophobicContact CG2-CD1 3.82Å; I154-I173 PolarHBondContact N-O 3.07Å; I154-V174 HydrophobicContact CG2-CG1 4.45Å; I154-V174 HydrophobicContact CG2-CG2 4.05Å; I154-V174 WeakPolarHBondContact O-CA 3.42Å; I154-T175 PolarHBondContact O-N 2.91Å
155E98.1Very high97.3Very high12 Ų1232.9 Ų32.96%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-105.2120.8169.1-170.6-178162.400110.6I116 T175 Y179 R203 K260I116-E155 PolarHBondContact O-N 2.93Å; E155-T175 WeakPolarHBondContact CA-O 3.47Å; E155-Y179 VanDerWaalsContact CD-OH 3.3Å; E155-Y179 PolarHBondContact OE1-OH 3.39Å; E155-R203 IonicContact OE1-NH1 2.78Å; E155-R203 PolarHBondContact OE1-NH1 2.95Å; E155-K260 IonicContact OE1-NZ 3.75Å; E155-K260 WeakPolarHBondContact OE2-CE 3.3Å; E155-K260 IonicContact OE2-NZ 2.7Å; E155-K260 PolarHBondContact OE2-NZ 3.1Å
156V98Very high97.4Very high0 Ų032.3 Ų32.30%020%0.197CC..EExtended strand (participates in β ladder)trans-128.2171.2175.8-70.80000110.1L140 I154 M158 A159 V174 T175 T176 G177L140-V156 HydrophobicContact CB-CB 4.48Å; L140-V156 HydrophobicContact CB-CG1 4.25Å; L140-V156 HydrophobicContact CB-CG2 4.05Å; I154-V156 HydrophobicContact CD1-CG1 3.92Å; I154-V156 HydrophobicContact CG1-CG1 3.98Å; V156-M158 WeakPolarHBondContact CG2-O 3.43Å; V156-A159 HydrophobicContact CG2-CB 4.03Å; V156-V174 HydrophobicContact CG2-CG1 4.2Å; V156-T175 PolarHBondContact N-O 3.08Å; V156-T176 HydrophobicContact CG2-CG2 4.43Å; V156-T176 CarbonylContact O-C 3.46Å; V156-T176 WeakPolarHBondContact O-CA 3.22Å; V156-G177 PolarHBondContact O-N 3.37Å
157Q98.1Very high97.5Very high1 Ų128.6 Ų28.61%0.00516%0.158CC..SBendtrans-89.4-41.9179.7-70.365.141.800110.7Y93 Y136 V138 G177 Y179 Y214Y93-Q157 HydrophobicContact CD1-CB 3.88Å; Y93-Q157 HydrophobicContact CE1-CB 3.61Å; Y93-Q157 HydrophobicContact CE1-CG 4.27Å; Y136-Q157 WeakPolarHBondContact O-CG 3.34Å; V138-Q157 PolarHBondContact O-N 2.96Å; V138-Q157 PolarHBondContact O-OE1 3.42Å; Q157-G177 WeakPolarHBondContact CG-O 3.23Å; Q157-Y179 HydrophobicContact CG-CD2 4.37Å; Q157-Y214 PolarHBondContact O-OH 3.2Å
158M98.1Very high97.6Very high51 Ų5122.4 Ų22.425%0.25113%0.126SC..EExtended strand (participates in β ladder)trans-129.2150173.1-61.1-156.776.900110.3Y93 V138 Q139 L140 V156 Y213Y93-M158 HydrophobicContact CD1-CG 4.39Å; Y93-M158 HydrophobicContact CD2-CG 4.18Å; Y93-M158 HydrophobicContact CD2-SD 3.77Å; Y93-M158 HydrophobicContact CE1-CG 4.23Å; Y93-M158 HydrophobicContact CE2-CG 4.01Å; Y93-M158 HydrophobicContact CE2-SD 3.54Å; Y93-M158 VanDerWaalsContact CE2-SD 3.54Å; Y93-M158 HydrophobicContact CG-CG 4.37Å; Y93-M158 HydrophobicContact CG-SD 4.48Å; V138-M158 PolarHBondContact O-N 3.28Å; Q139-M158 CarbonylContact C-O 3.59Å; Q139-M158 WeakPolarHBondContact CA-O 3.2Å; Q139-M158 HydrophobicContact CB-CB 4.01Å; L140-M158 PolarHBondContact N-O 3.04Å; V156-M158 WeakPolarHBondContact CG2-O 3.43Å; M158-Y213 WeakPolarHBondContact CA-OH 3.45Å; M158-Y213 HydrophobicContact CE-CD2 4.24Å; M158-Y213 HydrophobicContact CE-CE1 4.21Å; M158-Y213 HydrophobicContact CE-CE2 3.63Å; M158-Y213 HydrophobicContact CG-CE1 4.37Å
159A98.2Very high97.6Very high13 Ų1327 Ų2711%0.10714%0.143CC..EExtended strand (participates in β ladder)trans-142.6139.5174.100000110.7L140 V156 I164 V174 T176 Y213L140-A159 HydrophobicContact CB-CB 4.09Å; L140-A159 HydrophobicContact CD2-CB 4.47Å; V156-A159 HydrophobicContact CG2-CB 4.03Å; A159-I164 HydrophobicContact CB-CD1 3.89Å; A159-I164 HydrophobicContact CB-CG1 3.72Å; A159-V174 HydrophobicContact CB-CG1 4.29Å; A159-T176 HydrophobicContact CB-CG2 4.29Å; A159-Y213 PolarHBondContact N-OH 3.35Å
160S97.9Very high97.6Very high43 Ų4325.8 Ų25.830%0.30113%0.127SC..  trans-76149.117070.70000110.9L140 G142 E162 A163 I164L140-S160 PolarHBondContact O-N 3.14Å; G142-S160 PolarHBondContact N-OG 3.28Å; S160-E162 VanDerWaalsContact C-N 3.27Å; S160-E162 PolarHBondContact O-N 2.83Å; S160-A163 PolarHBondContact O-N 3.4Å; S160-A163 WeakPolarHBondContact OG-CB 3.23Å; S160-A163 PolarHBondContact OG-N 3.04Å; S160-I164 WeakPolarHBondContact O-CG1 3.5Å; S160-I164 PolarHBondContact O-N 2.94Å; S160-I164 VanDerWaalsContact O-N 3.08Å
161E97.6Very high97.5Very high82 Ų8225.4 Ų25.438%0.38312%0.123SC..Hα-helixtrans-55.1-43.4179.5-169.2-173.1173.800112.2A163 I164 A165 L236 K239 Y240E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 2.95Å; E161-I164 PolarHBondContact O-N 2.91Å; E161-A165 PolarHBondContact O-N 3.21Å; E161-L236 HydrophobicContact CG-CD1 3.88Å; E161-L236 HydrophobicContact CG-CG 4.5Å; E161-K239 VanDerWaalsContact OE1-CD 3.27Å; E161-K239 WeakPolarHBondContact OE1-CD 3.43Å; E161-K239 WeakPolarHBondContact OE1-CE 3.45Å; E161-K239 IonicContact OE1-NZ 3.37Å; E161-K239 PolarHBondContact OE1-NZ 2.7Å; E161-K239 IonicContact OE2-NZ 2.89Å; E161-K239 PolarHBondContact OE2-NZ 3.01Å; E161-Y240 HydrophobicContact CG-CE2 3.92Å
162E97.5Very high97.5Very high100 Ų10022.3 Ų22.347%0.46711%0.11SC..Hα-helixtrans-61.8-38.5176.9-175.8-178.9-166.300112.7A145 S160 A165 A166A145-E162 HydrophobicContact CB-CG 4.06Å; S160-E162 VanDerWaalsContact C-N 3.27Å; S160-E162 PolarHBondContact O-N 2.83Å; E162-A165 VanDerWaalsContact O-CB 3.31Å; E162-A165 WeakPolarHBondContact O-CB 3.36Å; E162-A165 PolarHBondContact O-N 2.92Å; E162-A166 PolarHBondContact O-N 3.45Å; E162-A166 VanDerWaalsContact O-N 3.09Å
163A98.1Very high97.5Very high0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-69.1-39.517900000111.6L98 L140 S160 E161 A165 A166 I167L98-A163 HydrophobicContact CD1-CB 4.34Å; L140-A163 HydrophobicContact CD2-CB 3.82Å; L140-A163 HydrophobicContact CG-CB 3.87Å; S160-A163 PolarHBondContact O-N 3.4Å; S160-A163 WeakPolarHBondContact OG-CB 3.23Å; S160-A163 PolarHBondContact OG-N 3.04Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 2.95Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A166 PolarHBondContact O-N 3.39Å; A163-I167 WeakPolarHBondContact O-CG1 3.37Å; A163-I167 PolarHBondContact O-N 3.5Å
164I98.3Very high97.6Very high1 Ų123.6 Ų23.61%0.00512%0.117CC..Hα-helixtrans-61.9-44.5174.6-61.6165.2000110A159 S160 E161 A166 I167 E168 V174 R220 L236A159-I164 HydrophobicContact CB-CD1 3.89Å; A159-I164 HydrophobicContact CB-CG1 3.72Å; S160-I164 WeakPolarHBondContact O-CG1 3.5Å; S160-I164 PolarHBondContact O-N 2.94Å; S160-I164 VanDerWaalsContact O-N 3.08Å; E161-I164 PolarHBondContact O-N 2.91Å; I164-A166 PolarHBondContact O-N 3.03Å; I164-I167 PolarHBondContact O-N 2.81Å; I164-E168 HydrophobicContact CG2-CG 4.26Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.47Å; I164-E168 WeakPolarHBondContact O-CB 3.43Å; I164-E168 WeakPolarHBondContact O-CG 3.46Å; I164-E168 PolarHBondContact O-N 3.01Å; I164-V174 HydrophobicContact CG1-CG1 4.33Å; I164-R220 HydrophobicContact CG2-CG 4.46Å; I164-R220 VanDerWaalsContact CG2-NE 3.27Å; I164-L236 HydrophobicContact CB-CD1 4.45Å; I164-L236 HydrophobicContact CG2-CD1 4.17Å
165A97.9Very high97.6Very high2 Ų224.1 Ų24.12%0.01712%0.12CC..Hα-helixtrans-53.8-50.6175.700000112.5E161 E162 A163 I167 E168 R169 L236 Y240 Y242E161-A165 PolarHBondContact O-N 3.21Å; E162-A165 VanDerWaalsContact O-CB 3.31Å; E162-A165 WeakPolarHBondContact O-CB 3.36Å; E162-A165 PolarHBondContact O-N 2.92Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A165-I167 PolarHBondContact O-N 3.25Å; A165-E168 PolarHBondContact O-N 3.4Å; A165-R169 VanDerWaalsContact O-CB 3.23Å; A165-R169 WeakPolarHBondContact O-CB 3.22Å; A165-R169 PolarHBondContact O-N 3.34Å; A165-L236 VanDerWaalsContact CA-CD2 3.46Å; A165-L236 HydrophobicContact CB-CD2 3.32Å; A165-Y240 HydrophobicContact CB-CD1 4.22Å; A165-Y240 HydrophobicContact CB-CD2 3.93Å; A165-Y240 HydrophobicContact CB-CE1 4.43Å; A165-Y240 HydrophobicContact CB-CE2 4.15Å; A165-Y240 HydrophobicContact CB-CG 3.96Å; A165-Y242 HydrophobicContact CB-CE1 4.24Å
166A97.9Very high97.6Very high3 Ų323.6 Ų23.63%0.02512%0.117CC..Hα-helixtrans-64.3-40.5-175.900000112L98 A145 E162 A163 I164 N170L98-A166 HydrophobicContact CD1-CB 3.6Å; A145-A166 HydrophobicContact CB-CB 3.85Å; E162-A166 PolarHBondContact O-N 3.45Å; E162-A166 VanDerWaalsContact O-N 3.09Å; A163-A166 PolarHBondContact O-N 3.39Å; I164-A166 PolarHBondContact O-N 3.03Å; A166-N170 PolarHBondContact O-ND2 3.12Å
167I97.8Very high97.5Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-70.4-45.5178.1-66.8175.1000111.1L98 L140 F148 V152 I154 A163 I164 A165 R169 N170 G171 G172 V174L98-I167 HydrophobicContact CD2-CD1 3.96Å; L98-I167 HydrophobicContact CD2-CG1 4.03Å; L140-I167 HydrophobicContact CD2-CD1 3.53Å; F148-I167 HydrophobicContact CD1-CG1 4.29Å; F148-I167 HydrophobicContact CE1-CB 4.43Å; F148-I167 HydrophobicContact CE1-CG1 3.67Å; F148-I167 HydrophobicContact CZ-CG1 4.24Å; V152-I167 HydrophobicContact CG2-CG2 4.18Å; I154-I167 HydrophobicContact CG2-CD1 3.82Å; A163-I167 WeakPolarHBondContact O-CG1 3.37Å; A163-I167 PolarHBondContact O-N 3.5Å; I164-I167 PolarHBondContact O-N 2.81Å; A165-I167 PolarHBondContact O-N 3.25Å; I167-R169 VanDerWaalsContact C-N 3.33Å; I167-R169 PolarHBondContact O-N 3.43Å; I167-N170 PolarHBondContact O-N 2.67Å; I167-G171 PolarHBondContact O-N 2.98Å; I167-G172 WeakPolarHBondContact O-CA 3.27Å; I167-G172 PolarHBondContact O-N 3.05Å; I167-V174 HydrophobicContact CB-CG2 3.76Å; I167-V174 HydrophobicContact CD1-CG2 3.62Å; I167-V174 HydrophobicContact CG1-CG2 4.27Å; I167-V174 HydrophobicContact CG2-CG2 3.63Å
168E97.1Very high97.5Very high2 Ų224.4 Ų24.41%0.00912%0.121CC..Hα-helixtrans-67.9-32.6-179.3-72.4-177.5-178.700112.5I164 A165 N170 G171 R220 R233I164-E168 HydrophobicContact CG2-CG 4.26Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.47Å; I164-E168 WeakPolarHBondContact O-CB 3.43Å; I164-E168 WeakPolarHBondContact O-CG 3.46Å; I164-E168 PolarHBondContact O-N 3.01Å; A165-E168 PolarHBondContact O-N 3.4Å; E168-N170 PolarHBondContact O-N 3.47Å; E168-G171 PolarHBondContact O-N 3Å; E168-R220 VanDerWaalsContact CD-NH2 3.28Å; E168-R220 IonicContact OE1-CZ 2.95Å; E168-R220 VanDerWaalsContact OE1-CZ 3.3Å; E168-R220 IonicContact OE1-NE 2.69Å; E168-R220 PolarHBondContact OE1-NE 3.49Å; E168-R220 IonicContact OE1-NH2 2.77Å; E168-R220 PolarHBondContact OE1-NH2 3.28Å; E168-R220 IonicContact OE2-CZ 2.79Å; E168-R220 IonicContact OE2-NH2 2.78Å; E168-R220 PolarHBondContact OE2-NH2 3.25Å; E168-R233 IonicContact OE1-NE 2.92Å; E168-R233 WeakPolarHBondContact OE2-CG 3.1Å; E168-R233 IonicContact OE2-NE 2.62Å
169R96.8Very high97.5Very high106 Ų10622 Ų2240%0.411%0.109SC..Hα-helixtrans-57.1-38.2172.9178.1-175.8-68.5166.6-6.5111.9A165 I167 G171 Y240 Y242A165-R169 VanDerWaalsContact O-CB 3.23Å; A165-R169 WeakPolarHBondContact O-CB 3.22Å; A165-R169 PolarHBondContact O-N 3.34Å; I167-R169 VanDerWaalsContact C-N 3.33Å; I167-R169 PolarHBondContact O-N 3.43Å; R169-G171 PolarHBondContact O-N 3.03Å; R169-Y240 PolarHBondContact NH2-O 3.07Å; R169-Y242 HydrophobicContact CB-CD1 4.31Å; R169-Y242 HydrophobicContact CB-CD2 3.81Å; R169-Y242 HydrophobicContact CB-CE1 4.47Å; R169-Y242 HydrophobicContact CB-CE2 4.01Å; R169-Y242 HydrophobicContact CB-CG 3.98Å; R169-Y242 HydrophobicContact CG-CD2 4.05Å; R169-Y242 HydrophobicContact CG-CG 3.97Å
170N96.2Very high97.4Very high46 Ų4622.4 Ų22.425%0.24611%0.11CC..THydrogen-bonded Turntrans-84.24.1177.6-62-24.5000113F148 A149 A166 I167 E168F148-N170 WeakPolarHBondContact CD1-ND2 3.31Å; F148-N170 PolarHBondContact O-ND2 3.49Å; A149-N170 VanDerWaalsContact CA-ND2 3.31Å; A149-N170 WeakPolarHBondContact CA-ND2 3.16Å; A166-N170 PolarHBondContact O-ND2 3.12Å; I167-N170 PolarHBondContact O-N 2.67Å; E168-N170 PolarHBondContact O-N 3.47Å
171G95.8Very high97.3Very high1 Ų123.3 Ų23.31%0.0112%0.115CC..THydrogen-bonded Turntrans79.717.6-178.900000114.7K151 I167 E168 R169 P245K151-G171 WeakPolarHBondContact CE-O 3.47Å; I167-G171 PolarHBondContact O-N 2.98Å; E168-G171 PolarHBondContact O-N 3Å; R169-G171 PolarHBondContact O-N 3.03Å; G171-P245 VanDerWaalsContact CA-CG 3.42Å
172G96.6Very high97.3Very high0 Ų026.3 Ų26.30%012%0.122CC..  trans-78.5174.2169.600000113.1V152 I167V152-G172 CarbonylContact O-C 3.51Å; V152-G172 WeakPolarHBondContact O-CA 3.36Å; I167-G172 WeakPolarHBondContact O-CA 3.27Å; I167-G172 PolarHBondContact O-N 3.05Å
173I97.3Very high97.3Very high29 Ų2921.6 Ų21.615%0.14910%0.1CC..EExtended strand (participates in β ladder)trans-126.9133.4175.1-68.4-176.8000108.4V152 N153 I154 I247 L256V152-I173 PolarHBondContact O-N 2.95Å; N153-I173 WeakPolarHBondContact CA-O 3.47Å; I154-I173 PolarHBondContact N-O 3.07Å; I173-I247 HydrophobicContact CD1-CD1 4.01Å; I173-I247 HydrophobicContact CG1-CD1 3.83Å; I173-L256 HydrophobicContact CD1-CB 3.99Å; I173-L256 WeakPolarHBondContact CD1-O 3.38Å
174V97.9Very high97.2Very high4 Ų421.6 Ų21.62%0.02410%0.1CC..EExtended strand (participates in β ladder)trans-111.8132.6172.7-176.50000107.8I154 V156 A159 I164 I167 R220I154-V174 HydrophobicContact CG2-CG1 4.45Å; I154-V174 HydrophobicContact CG2-CG2 4.05Å; I154-V174 WeakPolarHBondContact O-CA 3.42Å; V156-V174 HydrophobicContact CG2-CG1 4.2Å; A159-V174 HydrophobicContact CB-CG1 4.29Å; I164-V174 HydrophobicContact CG1-CG1 4.33Å; I167-V174 HydrophobicContact CB-CG2 3.76Å; I167-V174 HydrophobicContact CD1-CG2 3.62Å; I167-V174 HydrophobicContact CG1-CG2 4.27Å; I167-V174 HydrophobicContact CG2-CG2 3.63Å; V174-R220 WeakPolarHBondContact O-CB 3.38Å; V174-R220 WeakPolarHBondContact O-CG 3.44Å
175T98.1Very high97.2Very high11 Ų1123.7 Ų23.77%0.06712%0.118CC..EExtended strand (participates in β ladder)trans-123.7134.6171.1-56.30000109.1I154 E155 V156I154-T175 PolarHBondContact O-N 2.91Å; E155-T175 WeakPolarHBondContact CA-O 3.47Å; V156-T175 PolarHBondContact N-O 3.08Å
176T98.2Very high97.1Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-97.6120.1170.852.70000111.2V156 A159 Y213 N219 R220 G221 Y222V156-T176 HydrophobicContact CG2-CG2 4.43Å; V156-T176 CarbonylContact O-C 3.46Å; V156-T176 WeakPolarHBondContact O-CA 3.22Å; A159-T176 HydrophobicContact CB-CG2 4.29Å; T176-Y213 HydrophobicContact CG2-CE1 4.42Å; T176-N219 WeakPolarHBondContact CG2-O 3.44Å; T176-N219 PolarHBondContact OG1-O 3.1Å; T176-R220 PolarHBondContact N-O 2.69Å; T176-R220 PolarHBondContact OG1-O 2.72Å; T176-G221 VanDerWaalsContact OG1-CA 3.26Å; T176-G221 WeakPolarHBondContact OG1-CA 3.28Å; T176-G221 PolarHBondContact OG1-N 2.88Å; T176-Y222 VanDerWaalsContact O-CB 3.3Å; T176-Y222 WeakPolarHBondContact O-CB 3.49Å; T176-Y222 VanDerWaalsContact O-CD1 3.24Å; T176-Y222 WeakPolarHBondContact O-CD1 3.45Å; T176-Y222 PolarHBondContact O-N 3.23Å
177G96.9Very high97Very high0 Ų023.9 Ų23.90%012%0.118CC..  trans-127.2133.9-175.800000112.7V156 Q157V156-G177 PolarHBondContact O-N 3.37Å; Q157-G177 WeakPolarHBondContact CG-O 3.23Å
178F97.8Very high96.9Very high19 Ų1924.3 Ų24.38%0.08312%0.121CC..  trans-83.4143.9176.9-179.5-105.4000111.8Y136 D180 R203 M204 P206 Y214 Y222Y136-F178 HydrophobicContact CD1-CE2 4.14Å; Y136-F178 HydrophobicContact CD1-CZ 4.5Å; F178-D180 HydrophobicContact CE1-CB 4.22Å; F178-R203 WeakPolarHBondContact O-CD 3.26Å; F178-R203 PolarHBondContact O-NH1 3.3Å; F178-M204 WeakPolarHBondContact CD1-O 3.35Å; F178-P206 HydrophobicContact CB-CB 4.27Å; F178-P206 HydrophobicContact CD1-CB 4.03Å; F178-P206 HydrophobicContact CD2-CB 4.11Å; F178-P206 HydrophobicContact CE1-CB 4.4Å; F178-P206 HydrophobicContact CE2-CB 4.48Å; F178-P206 HydrophobicContact CG-CB 3.86Å; F178-Y214 HydrophobicContact CB-CD2 4.19Å; F178-Y214 HydrophobicContact CB-CE1 4.14Å; F178-Y214 HydrophobicContact CB-CE2 3.76Å; F178-Y214 AromaticContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CG-CE2 4.18Å; F178-Y222 HydrophobicContact CB-CE1 4.08Å
179Y97.4Very high96.9Very high0 Ų031.2 Ų31.20%015%0.151CC..  trans-131125.8169.1-66.6-87.9000109.5L118 E155 Q157 L187 R203 K260L118-Y179 HydrophobicContact CD1-CD2 4.46Å; E155-Y179 VanDerWaalsContact CD-OH 3.3Å; E155-Y179 PolarHBondContact OE1-OH 3.39Å; Q157-Y179 HydrophobicContact CG-CD2 4.37Å; Y179-L187 HydrophobicContact CD1-CD2 3.89Å; Y179-L187 HydrophobicContact CD2-CD2 4.45Å; Y179-L187 HydrophobicContact CE1-CD1 4.43Å; Y179-L187 HydrophobicContact CE1-CD2 3.6Å; Y179-L187 HydrophobicContact CE2-CD2 4.21Å; Y179-L187 HydrophobicContact CG-CD2 4.31Å; Y179-R203 VanDerWaalsContact CZ-NH1 3.27Å; Y179-R203 PolarHBondContact OH-NH1 2.92Å; Y179-K260 WeakPolarHBondContact OH-CE 3.27Å; Y179-K260 PolarHBondContact OH-NZ 3.07Å
180D96.4Very high96.9Very high22 Ų2227.2 Ų27.212%0.11814%0.139CC..  trans-67.3158169.563.1-80.6000110.7F178 R182 S183 L184 R203 M204F178-D180 HydrophobicContact CE1-CB 4.22Å; D180-R182 PolarHBondContact O-N 2.66Å; D180-R182 WeakPolarHBondContact OD2-CB 3.46Å; D180-R182 PolarHBondContact OD2-N 2.87Å; D180-S183 VanDerWaalsContact CG-OG 3.25Å; D180-S183 PolarHBondContact O-N 3.19Å; D180-S183 VanDerWaalsContact O-N 3.08Å; D180-S183 WeakPolarHBondContact OD1-CB 3.45Å; D180-S183 PolarHBondContact OD1-OG 3.2Å; D180-S183 PolarHBondContact OD2-N 3.37Å; D180-S183 PolarHBondContact OD2-OG 2.74Å; D180-L184 WeakPolarHBondContact O-CB 3.25Å; D180-L184 PolarHBondContact O-N 2.85Å; D180-R203 WeakPolarHBondContact OD1-CA 3.1Å; D180-M204 HydrophobicContact CB-CB 4.16Å; D180-M204 PolarHBondContact OD1-N 3.43Å
181P96.1Very high97Very high62 Ų6228.9 Ų28.940%0.40315%0.151SC..Hα-helixtrans-55.1-32.4-175.4-29.336.2000114.6Y136 A185Y136-P181 HydrophobicContact CE1-CG 3.81Å; P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.36Å
182R96.8Very high97Very high145 Ų14532.7 Ų32.755%0.54718%0.175SC..Hα-helixtrans-72.1-51.2176.9-178.3-177.8-178.1177.30.9110.3D180 L184 A185 V186D180-R182 PolarHBondContact O-N 2.66Å; D180-R182 WeakPolarHBondContact OD2-CB 3.46Å; D180-R182 PolarHBondContact OD2-N 2.87Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 2.61Å; R182-A185 PolarHBondContact O-N 2.91Å; R182-V186 WeakPolarHBondContact O-CG2 3.36Å; R182-V186 PolarHBondContact O-N 3.03Å
183S97.2Very high97.1Very high1 Ų133.7 Ų33.71%0.00718%0.18CC..Hα-helixtrans-60.4-39.5178-61.50000112.2D180 A185 V186 L187 R203 I265D180-S183 VanDerWaalsContact CG-OG 3.25Å; D180-S183 PolarHBondContact O-N 3.19Å; D180-S183 VanDerWaalsContact O-N 3.08Å; D180-S183 WeakPolarHBondContact OD1-CB 3.45Å; D180-S183 PolarHBondContact OD1-OG 3.2Å; D180-S183 PolarHBondContact OD2-N 3.37Å; D180-S183 PolarHBondContact OD2-OG 2.74Å; S183-A185 PolarHBondContact O-N 2.92Å; S183-V186 PolarHBondContact O-N 2.93Å; S183-L187 VanDerWaalsContact O-CB 3.29Å; S183-L187 WeakPolarHBondContact O-CB 3.35Å; S183-L187 PolarHBondContact O-N 3.2Å; S183-R203 WeakPolarHBondContact OG-CA 3.47Å; S183-R203 WeakPolarHBondContact OG-CB 3.25Å; S183-I265 WeakPolarHBondContact OG-CD1 3.11Å
184L97.1Very high97.1Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-61.8-42.5176-176.368.7000111.9L118 I129 P131 D135 D180 R182 V186 L187 C188L118-L184 HydrophobicContact CD1-CD1 3.45Å; L118-L184 VanDerWaalsContact CD1-CD1 3.45Å; I129-L184 HydrophobicContact CG2-CD2 4.07Å; I129-L184 HydrophobicContact CG2-CG 4.46Å; P131-L184 HydrophobicContact CB-CD2 4.46Å; P131-L184 HydrophobicContact CG-CD2 4.28Å; P131-L184 HydrophobicContact CG-CG 4.28Å; D135-L184 WeakPolarHBondContact O-CD2 3.42Å; D180-L184 WeakPolarHBondContact O-CB 3.25Å; D180-L184 PolarHBondContact O-N 2.85Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 2.61Å; L184-V186 VanDerWaalsContact C-N 3.35Å; L184-L187 PolarHBondContact O-N 3.15Å; L184-C188 WeakPolarHBondContact O-CB 3.27Å; L184-C188 PolarHBondContact O-N 2.83Å; L184-C188 PolarHBondContact O-SG 2.8Å
185A97.1Very high97Very high44 Ų4439.4 Ų39.436%0.36421%0.209SC..Hα-helixtrans-63.4-41.8176.800000112.2P131 P181 R182 S183 K189P131-A185 HydrophobicContact CB-CB 4.18Å; P131-A185 HydrophobicContact CG-CB 4.08Å; P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.36Å; R182-A185 PolarHBondContact O-N 2.91Å; S183-A185 PolarHBondContact O-N 2.92Å; A185-K189 PolarHBondContact O-N 3.2Å; A185-K189 VanDerWaalsContact O-N 3.16Å
186V97.2Very high97Very high9 Ų942 Ų426%0.05523%0.227CC..Hα-helixtrans-62.8-44.4175.1171.60000111R182 S183 L184 K189 P190 F193 I265 F266R182-V186 WeakPolarHBondContact O-CG2 3.36Å; R182-V186 PolarHBondContact O-N 3.03Å; S183-V186 PolarHBondContact O-N 2.93Å; L184-V186 VanDerWaalsContact C-N 3.35Å; V186-K189 CarbonylContact O-C 3.23Å; V186-K189 VanDerWaalsContact O-C 3.23Å; V186-K189 PolarHBondContact O-N 2.73Å; V186-P190 VanDerWaalsContact O-CA 3.25Å; V186-P190 WeakPolarHBondContact O-CA 3.45Å; V186-P190 VanDerWaalsContact O-N 3.12Å; V186-F193 HydrophobicContact CB-CD2 4.49Å; V186-F193 HydrophobicContact CB-CG 4.32Å; V186-F193 HydrophobicContact CG1-CB 4.25Å; V186-F193 HydrophobicContact CG1-CD1 3.59Å; V186-F193 HydrophobicContact CG1-CD2 4.22Å; V186-F193 HydrophobicContact CG1-CE1 3.98Å; V186-F193 HydrophobicContact CG1-CG 3.72Å; V186-F193 HydrophobicContact CG1-CZ 4.44Å; V186-F193 HydrophobicContact CG2-CB 4.41Å; V186-F193 HydrophobicContact CG2-CD1 4.46Å; V186-F193 HydrophobicContact CG2-CD2 3.56Å; V186-F193 HydrophobicContact CG2-CE2 3.91Å; V186-F193 HydrophobicContact CG2-CG 3.87Å; V186-F193 HydrophobicContact CG2-CZ 4.5Å; V186-I265 HydrophobicContact CG1-CG2 4.48Å; V186-F266 HydrophobicContact CG1-CE2 3.74Å; V186-F266 HydrophobicContact CG1-CZ 3.59Å
187L96Very high96.8Very high0 Ų044.2 Ų44.20%025%0.25CS..Hα-helixtrans-66.6-41.9-179.8-164.175.5000112.2L118 T119 Y179 S183 L184 K189 I265 F266L118-L187 HydrophobicContact CB-CD2 3.61Å; L118-L187 HydrophobicContact CB-CG 4.31Å; L118-L187 HydrophobicContact CD1-CD2 3.86Å; L118-L187 HydrophobicContact CG-CD2 4.18Å; T119-L187 HydrophobicContact CG2-CD1 3.47Å; T119-L187 VanDerWaalsContact CG2-CD1 3.47Å; T119-L187 HydrophobicContact CG2-CG 3.7Å; T119-L187 WeakPolarHBondContact CG2-O 3.4Å; Y179-L187 HydrophobicContact CD1-CD2 3.89Å; Y179-L187 HydrophobicContact CD2-CD2 4.45Å; Y179-L187 HydrophobicContact CE1-CD1 4.43Å; Y179-L187 HydrophobicContact CE1-CD2 3.6Å; Y179-L187 HydrophobicContact CE2-CD2 4.21Å; Y179-L187 HydrophobicContact CG-CD2 4.31Å; S183-L187 VanDerWaalsContact O-CB 3.29Å; S183-L187 WeakPolarHBondContact O-CB 3.35Å; S183-L187 PolarHBondContact O-N 3.2Å; L184-L187 PolarHBondContact O-N 3.15Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.48Å; L187-I265 HydrophobicContact CB-CG2 4.32Å; L187-I265 HydrophobicContact CD1-CG2 3.68Å; L187-I265 WeakPolarHBondContact CD1-O 3.4Å; L187-F266 HydrophobicContact CD1-CD1 3.97Å; L187-F266 HydrophobicContact CD1-CE1 3.95Å
188C96.1Very high96.8Very high10 Ų1048.4 Ų48.47%0.06827%0.27CS..Hα-helixtrans-68-34178.8-68.30000112.5V122 L184V122-C188 WeakPolarHBondContact CG1-O 3.5Å; L184-C188 WeakPolarHBondContact O-CB 3.27Å; L184-C188 PolarHBondContact O-N 2.83Å; L184-C188 PolarHBondContact O-SG 2.8Å
189K96.4Very high96.8Very high146 Ų14649.8 Ų49.864%0.63528%0.281SS*.  trans-136.874.7-176.4-66.2-175.7-177.2176.90110.6A185 V186 L187 P192A185-K189 PolarHBondContact O-N 3.2Å; A185-K189 VanDerWaalsContact O-N 3.16Å; V186-K189 CarbonylContact O-C 3.23Å; V186-K189 VanDerWaalsContact O-C 3.23Å; V186-K189 PolarHBondContact O-N 2.73Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.48Å; K189-P192 HydrophobicContact CB-CG 4.25Å; K189-P192 WeakPolarHBondContact O-CD 3.5Å
190P97.1Very high96.8Very high23 Ų2349.8 Ų49.815%0.14928%0.281CS..Hα-helixtrans-70.9-36-175.625.9-33.9000113V186 F193 F194 F266V186-P190 VanDerWaalsContact O-CA 3.25Å; V186-P190 WeakPolarHBondContact O-CA 3.45Å; V186-P190 VanDerWaalsContact O-N 3.12Å; P190-F193 WeakPolarHBondContact O-CA 3.44Å; P190-F193 WeakPolarHBondContact O-CB 3.31Å; P190-F193 PolarHBondContact O-N 3.19Å; P190-F193 VanDerWaalsContact O-N 3.1Å; P190-F194 HydrophobicContact CB-CD2 4.28Å; P190-F194 HydrophobicContact CB-CE2 3.79Å; P190-F194 HydrophobicContact CB-CZ 4.42Å; P190-F194 VanDerWaalsContact O-CD2 3.23Å; P190-F194 WeakPolarHBondContact O-CD2 3.3Å; P190-F194 WeakPolarHBondContact O-CG 3.24Å; P190-F194 PolarHBondContact O-N 2.88Å; P190-F266 HydrophobicContact CB-CE1 3.79Å; P190-F266 HydrophobicContact CB-CZ 3.74Å; P190-F266 HydrophobicContact CG-CE1 4.49Å
191V96.9Very high96.9Very high80 Ų8049.4 Ų49.449%0.48528%0.28SS..Hα-helixtrans-61.5-51.3-176.7174.90000112.1F193 F194 L195V191-F193 PolarHBondContact O-N 3.36Å; V191-F194 PolarHBondContact O-N 3.34Å; V191-L195 HydrophobicContact CG1-CD1 4.24Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 3.04Å; V191-L195 VanDerWaalsContact O-N 3.08Å
192P96.9Very high96.9Very high82 Ų8247.7 Ų47.753%0.53227%0.266SS..Hα-helixtrans-57.6-34.2172.7-26.535.3000113.9K189 S196K189-P192 HydrophobicContact CB-CG 4.25Å; K189-P192 WeakPolarHBondContact O-CD 3.5Å; P192-S196 PolarHBondContact O-N 3.09Å
193F97.5Very high96.9Very high20 Ų2040.8 Ų40.89%0.08824%0.24CC..Hα-helixtrans-66.8-48.3176.7171.9-101.3000111.7V186 P190 V191 L195 S196 Q198 I200V186-F193 HydrophobicContact CB-CD2 4.49Å; V186-F193 HydrophobicContact CB-CG 4.32Å; V186-F193 HydrophobicContact CG1-CB 4.25Å; V186-F193 HydrophobicContact CG1-CD1 3.59Å; V186-F193 HydrophobicContact CG1-CD2 4.22Å; V186-F193 HydrophobicContact CG1-CE1 3.98Å; V186-F193 HydrophobicContact CG1-CG 3.72Å; V186-F193 HydrophobicContact CG1-CZ 4.44Å; V186-F193 HydrophobicContact CG2-CB 4.41Å; V186-F193 HydrophobicContact CG2-CD1 4.46Å; V186-F193 HydrophobicContact CG2-CD2 3.56Å; V186-F193 HydrophobicContact CG2-CE2 3.91Å; V186-F193 HydrophobicContact CG2-CG 3.87Å; V186-F193 HydrophobicContact CG2-CZ 4.5Å; P190-F193 WeakPolarHBondContact O-CA 3.44Å; P190-F193 WeakPolarHBondContact O-CB 3.31Å; P190-F193 PolarHBondContact O-N 3.19Å; P190-F193 VanDerWaalsContact O-N 3.1Å; V191-F193 PolarHBondContact O-N 3.36Å; F193-L195 VanDerWaalsContact C-N 3.27Å; F193-L195 PolarHBondContact O-N 2.98Å; F193-S196 VanDerWaalsContact O-CB 3.3Å; F193-S196 WeakPolarHBondContact O-CB 3.18Å; F193-S196 PolarHBondContact O-N 3.49Å; F193-S196 PolarHBondContact O-OG 3.11Å; F193-Q198 HydrophobicContact CE2-CB 3.95Å; F193-Q198 HydrophobicContact CZ-CB 4.12Å; F193-I200 HydrophobicContact CE1-CG1 4.22Å
194F97.5Very high96.8Very high26 Ų2645.3 Ų45.311%0.11426%0.262CS..Hα-helixtrans-64.3-32.2178.6-63-45.6000112.8P190 V191 S196 G197 I200 F266 L269 V275 M277P190-F194 HydrophobicContact CB-CD2 4.28Å; P190-F194 HydrophobicContact CB-CE2 3.79Å; P190-F194 HydrophobicContact CB-CZ 4.42Å; P190-F194 VanDerWaalsContact O-CD2 3.23Å; P190-F194 WeakPolarHBondContact O-CD2 3.3Å; P190-F194 WeakPolarHBondContact O-CG 3.24Å; P190-F194 PolarHBondContact O-N 2.88Å; V191-F194 PolarHBondContact O-N 3.34Å; F194-S196 PolarHBondContact O-N 3.46Å; F194-G197 PolarHBondContact O-N 3.25Å; F194-I200 HydrophobicContact CE1-CD1 4.09Å; F194-I200 HydrophobicContact CE1-CG1 4Å; F194-F266 HydrophobicContact CE1-CE2 4.22Å; F194-F266 HydrophobicContact CZ-CD2 4.25Å; F194-F266 AromaticContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CZ 4.09Å; F194-L269 HydrophobicContact CZ-CD1 4.15Å; F194-V275 HydrophobicContact CD1-CB 3.75Å; F194-V275 HydrophobicContact CD1-CG1 4.47Å; F194-V275 HydrophobicContact CD1-CG2 3.92Å; F194-V275 HydrophobicContact CE1-CB 4.08Å; F194-V275 HydrophobicContact CE1-CG2 3.7Å; F194-V275 HydrophobicContact CG-CB 4.13Å; F194-V275 HydrophobicContact CG-CG1 4.39Å; F194-V275 HydrophobicContact CZ-CG2 4.21Å; F194-M277 HydrophobicContact CB-CG 3.98Å; F194-M277 HydrophobicContact CB-SD 4.28Å; F194-M277 HydrophobicContact CD2-SD 4.39Å
195L97.1Very high96.8Very high128 Ų12849.3 Ų49.367%0.6728%0.283SS*.Hα-helixtrans-65.6-19.5173.2-69.2173.9000113.5V191 F193 G197V191-L195 HydrophobicContact CG1-CD1 4.24Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 3.04Å; V191-L195 VanDerWaalsContact O-N 3.08Å; F193-L195 VanDerWaalsContact C-N 3.27Å; F193-L195 PolarHBondContact O-N 2.98Å; L195-G197 PolarHBondContact O-N 3.26Å
196S96.4Very high96.8Very high64 Ų6447.8 Ų47.845%0.44827%0.269SS..THydrogen-bonded Turntrans-74.8-12.3175.376.60000113.8P192 F193 F194 Q198P192-S196 PolarHBondContact O-N 3.09Å; F193-S196 VanDerWaalsContact O-CB 3.3Å; F193-S196 WeakPolarHBondContact O-CB 3.18Å; F193-S196 PolarHBondContact O-N 3.49Å; F193-S196 PolarHBondContact O-OG 3.11Å; F194-S196 PolarHBondContact O-N 3.46Å; S196-Q198 PolarHBondContact O-N 3.05Å; S196-Q198 WeakPolarHBondContact OG-CG 3.44Å
197G95.5Very high96.7Very high48 Ų4849.6 Ų49.650%0.49529%0.29SS..THydrogen-bonded Turntrans70.811.5-179.100000114.9F194 L195F194-G197 PolarHBondContact O-N 3.25Å; L195-G197 PolarHBondContact O-N 3.26Å
198Q96.9Very high96.7Very high88 Ų8858.1 Ų58.141%0.41133%0.33SS..PPolyproline II helixtrans-78.7147.1177.7-66.3-175.7400112F193 S196F193-Q198 HydrophobicContact CE2-CB 3.95Å; F193-Q198 HydrophobicContact CZ-CB 4.12Å; S196-Q198 PolarHBondContact O-N 3.05Å; S196-Q198 WeakPolarHBondContact OG-CG 3.44Å
199P97.5Very high96.7Very high47 Ų4765.1 Ų65.131%0.30537%0.367SS..PPolyproline II helixtrans-67146.3170.328.9-34.1000110.6P201 W273 V274P199-P201 WeakPolarHBondContact O-CD 3.38Å; P199-W273 WeakPolarHBondContact CA-O 3.33Å; P199-V274 HydrophobicContact CB-CG2 3.85Å
200I97.9Very high96.6Very high0 Ų061.1 Ų61.10%035%0.351CS..PPolyproline II helixtrans-58.7120.7177.2-63.6169.8000108.8F193 F194 I265 F266 L269 P271 G272 W273 V275F193-I200 HydrophobicContact CE1-CG1 4.22Å; F194-I200 HydrophobicContact CE1-CD1 4.09Å; F194-I200 HydrophobicContact CE1-CG1 4Å; I200-I265 HydrophobicContact CG2-CD1 4.48Å; I200-F266 HydrophobicContact CD1-CD2 4.37Å; I200-F266 HydrophobicContact CG2-CD2 4.34Å; I200-L269 HydrophobicContact CD1-CB 3.76Å; I200-L269 HydrophobicContact CD1-CD1 4.1Å; I200-L269 HydrophobicContact CD1-CG 4.47Å; I200-P271 CarbonylContact O-C 3.55Å; I200-P271 WeakPolarHBondContact O-CA 3.3Å; I200-G272 PolarHBondContact O-N 3.26Å; I200-W273 HydrophobicContact CD1-CB 4.42Å; I200-W273 WeakPolarHBondContact CG1-O 3.21Å; I200-W273 PolarHBondContact N-O 2.73Å; I200-V275 HydrophobicContact CD1-CG2 4.26Å
201P97.2Very high96.6Very high15 Ų1562.7 Ų62.710%0.09736%0.36CS..PPolyproline II helixtrans-72.7155.4177.228.6-31.5000110.5P199 I265P199-P201 WeakPolarHBondContact O-CD 3.38Å; P201-I265 HydrophobicContact CG-CD1 3.76Å; P201-I265 WeakPolarHBondContact O-CD1 3.1Å
202K96.6Very high96.7Very high25 Ų2562.9 Ų62.911%0.10936%0.363CS..PPolyproline II helixtrans-79.5136.616460.4-177-175.8179.10109.6R263 P271 Y293 S296K202-R263 WeakPolarHBondContact CA-O 3.26Å; K202-R263 HydrophobicContact CB-CB 4.26Å; K202-P271 HydrophobicContact CB-CB 3.84Å; K202-P271 HydrophobicContact CB-CG 4.2Å; K202-Y293 WeakPolarHBondContact CE-O 3.15Å; K202-Y293 PolarHBondContact NZ-O 3.49Å; K202-S296 WeakPolarHBondContact CD-O 3.32Å; K202-S296 PolarHBondContact NZ-O 3.07Å; K202-S296 PolarHBondContact NZ-OG 3.18Å
203R96.3Very high96.7Very high1 Ų160.7 Ų60.70%0.00434%0.344CS..PPolyproline II helixtrans-70.2147.7176.166174.8176.6-176.8-12.9111E155 F178 Y179 D180 S183 D261 P262 R263 Q264 I265E155-R203 IonicContact OE1-NH1 2.78Å; E155-R203 PolarHBondContact OE1-NH1 2.95Å; F178-R203 WeakPolarHBondContact O-CD 3.26Å; F178-R203 PolarHBondContact O-NH1 3.3Å; Y179-R203 VanDerWaalsContact CZ-NH1 3.27Å; Y179-R203 PolarHBondContact OH-NH1 2.92Å; D180-R203 WeakPolarHBondContact OD1-CA 3.1Å; S183-R203 WeakPolarHBondContact OG-CA 3.47Å; S183-R203 WeakPolarHBondContact OG-CB 3.25Å; R203-D261 PolarHBondContact NH2-O 3.28Å; R203-P262 VanDerWaalsContact CG-O 3.23Å; R203-P262 WeakPolarHBondContact CG-O 3.38Å; R203-P262 PolarHBondContact NE-O 2.78Å; R203-R263 PolarHBondContact N-O 3.17Å; R203-R263 WeakPolarHBondContact O-CD 3.46Å; R203-R263 PolarHBondContact O-NH1 3.29Å; R203-Q264 WeakPolarHBondContact CD-O 3.45Å; R203-Q264 PolarHBondContact NE-O 3.01Å; R203-Q264 VanDerWaalsContact NE-O 3.12Å; R203-I265 HydrophobicContact CB-CG1 4.12Å
204M96.8Very high96.7Very high96 Ų9659.8 Ų59.847%0.47334%0.34SS..PPolyproline II helixtrans-84.7158.1179.1-62.9-61.3175.100111.3F178 D180F178-M204 WeakPolarHBondContact CD1-O 3.35Å; D180-M204 HydrophobicContact CB-CB 4.16Å; D180-M204 PolarHBondContact OD1-N 3.43Å
205L96.7Very high96.7Very high84 Ų8461.7 Ų61.744%0.4435%0.354SS..PPolyproline II helixtrans-71.2156.5173-64.9176.8000110.4
206P97.2Very high96.8Very high11 Ų1159 Ų597%0.07134%0.34CS..PPolyproline II helixtrans-60.7154.117325.7-34.9000111.2F178 M210 V211 Y214 Y222F178-P206 HydrophobicContact CB-CB 4.27Å; F178-P206 HydrophobicContact CD1-CB 4.03Å; F178-P206 HydrophobicContact CD2-CB 4.11Å; F178-P206 HydrophobicContact CE1-CB 4.4Å; F178-P206 HydrophobicContact CE2-CB 4.48Å; F178-P206 HydrophobicContact CG-CB 3.86Å; P206-M210 HydrophobicContact CB-CB 3.94Å; P206-V211 HydrophobicContact CG-CG2 4.11Å; P206-Y214 HydrophobicContact CB-CD2 3.85Å; P206-Y214 HydrophobicContact CB-CE2 4.1Å; P206-Y214 HydrophobicContact CG-CD2 3.87Å; P206-Y222 VanDerWaalsContact CD-OH 3.23Å; P206-Y222 WeakPolarHBondContact CD-OH 3.36Å
207G94.6Very high96.8Very high48 Ų4856.5 Ų56.550%0.49532%0.323SS..PPolyproline II helixtrans-65.8161.7168.900000111.6D209 M210 V211G207-D209 VanDerWaalsContact C-N 3.26Å; G207-D209 PolarHBondContact O-N 3.17Å; G207-D209 VanDerWaalsContact O-N 3.16Å; G207-M210 PolarHBondContact O-N 3.08Å; G207-V211 PolarHBondContact O-N 3.33Å; G207-V211 VanDerWaalsContact O-N 3.16Å
208E96.5Very high96.9Very high178 Ų17856.4 Ų56.483%0.83232%0.317SS*.G310 helixtrans-49.5-44-173.9-66.8172.9-172.600113M210 V211 P212E208-M210 PolarHBondContact O-N 3.43Å; E208-M210 VanDerWaalsContact O-N 3.14Å; E208-V211 PolarHBondContact O-N 3.27Å; E208-P212 VanDerWaalsContact O-CD 3.27Å; E208-P212 WeakPolarHBondContact O-CD 3.44Å
209D94.4Very high96.9Very high158 Ų15853.8 Ų53.885%0.84531%0.307SS*.G310 helixtrans-56.2-31.9178.6-58.4-21.7000113.6G207G207-D209 VanDerWaalsContact C-N 3.26Å; G207-D209 PolarHBondContact O-N 3.17Å; G207-D209 VanDerWaalsContact O-N 3.16Å
210M95.9Very high97Very high62 Ų6252 Ų5231%0.30529%0.294SS..G310 helixtrans-103-11.4-173.8-73.3-72.617900113.2P206 G207 E208 Y213 Y214P206-M210 HydrophobicContact CB-CB 3.94Å; G207-M210 PolarHBondContact O-N 3.08Å; E208-M210 PolarHBondContact O-N 3.43Å; E208-M210 VanDerWaalsContact O-N 3.14Å; M210-Y213 WeakPolarHBondContact O-CB 3.36Å; M210-Y213 PolarHBondContact O-N 3.26Å; M210-Y214 HydrophobicContact CB-CD2 4.26Å; M210-Y214 HydrophobicContact CB-CE2 4.06Å; M210-Y214 VanDerWaalsContact O-CD2 3.24Å; M210-Y214 WeakPolarHBondContact O-CD2 3.22Å; M210-Y214 PolarHBondContact O-N 2.58Å
211V96.8Very high96.9Very high56 Ų5652 Ų5234%0.33929%0.294SS..Hα-helixtrans-54.1-49.3176.3172.60000111.2P206 G207 E208 Y213 Y214 T215P206-V211 HydrophobicContact CG-CG2 4.11Å; G207-V211 PolarHBondContact O-N 3.33Å; G207-V211 VanDerWaalsContact O-N 3.16Å; E208-V211 PolarHBondContact O-N 3.27Å; V211-Y213 PolarHBondContact O-N 2.99Å; V211-Y214 PolarHBondContact O-N 2.91Å; V211-Y214 VanDerWaalsContact O-N 3.14Å; V211-T215 HydrophobicContact CG1-CG2 3.94Å; V211-T215 WeakPolarHBondContact O-CG2 3.33Å; V211-T215 PolarHBondContact O-N 3.01Å; V211-T215 PolarHBondContact O-OG1 3.28Å
212P97.9Very high96.9Very high83 Ų8352.1 Ų52.154%0.53929%0.292SS..Hα-helixtrans-55-38.6179.4-26.835.5000113.3E208 T215 D216E208-P212 VanDerWaalsContact O-CD 3.27Å; E208-P212 WeakPolarHBondContact O-CD 3.44Å; P212-T215 WeakPolarHBondContact CA-OG1 3.4Å; P212-T215 PolarHBondContact O-OG1 2.77Å; P212-T215 VanDerWaalsContact O-OG1 3.11Å; P212-D216 WeakPolarHBondContact O-CB 3.4Å; P212-D216 PolarHBondContact O-N 3.37Å; P212-D216 VanDerWaalsContact O-N 3.11Å
213Y97.8Very high96.9Very high37 Ų3753.8 Ų53.815%0.14530%0.302CS..Hα-helixtrans-63-46.1180-177.4-96.4000112.2M158 A159 T176 M210 V211 N219M158-Y213 WeakPolarHBondContact CA-OH 3.45Å; M158-Y213 HydrophobicContact CE-CD2 4.24Å; M158-Y213 HydrophobicContact CE-CE1 4.21Å; M158-Y213 HydrophobicContact CE-CE2 3.63Å; M158-Y213 HydrophobicContact CG-CE1 4.37Å; A159-Y213 PolarHBondContact N-OH 3.35Å; T176-Y213 HydrophobicContact CG2-CE1 4.42Å; M210-Y213 WeakPolarHBondContact O-CB 3.36Å; M210-Y213 PolarHBondContact O-N 3.26Å; V211-Y213 PolarHBondContact O-N 2.99Å; Y213-N219 HydrophobicContact CD2-CB 4.29Å; Y213-N219 VanDerWaalsContact CD2-ND2 3.26Å; Y213-N219 WeakPolarHBondContact CD2-ND2 3.3Å; Y213-N219 HydrophobicContact CE1-CB 4.26Å; Y213-N219 HydrophobicContact CE2-CB 3.86Å; Y213-N219 WeakPolarHBondContact CE2-ND2 3.39Å; Y213-N219 PolarHBondContact O-ND2 2.88Å
214Y97.8Very high97Very high1 Ų154.1 Ų54.10%0.00431%0.305CS..Hα-helixtrans-84.5-12.5-176.6-66.7-71000114.2Q157 F178 P206 M210 V211 G221 Y222 L223Q157-Y214 PolarHBondContact O-OH 3.2Å; F178-Y214 HydrophobicContact CB-CD2 4.19Å; F178-Y214 HydrophobicContact CB-CE1 4.14Å; F178-Y214 HydrophobicContact CB-CE2 3.76Å; F178-Y214 AromaticContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CG-CE2 4.18Å; P206-Y214 HydrophobicContact CB-CD2 3.85Å; P206-Y214 HydrophobicContact CB-CE2 4.1Å; P206-Y214 HydrophobicContact CG-CD2 3.87Å; M210-Y214 HydrophobicContact CB-CD2 4.26Å; M210-Y214 HydrophobicContact CB-CE2 4.06Å; M210-Y214 VanDerWaalsContact O-CD2 3.24Å; M210-Y214 WeakPolarHBondContact O-CD2 3.22Å; M210-Y214 PolarHBondContact O-N 2.58Å; V211-Y214 PolarHBondContact O-N 2.91Å; V211-Y214 VanDerWaalsContact O-N 3.14Å; Y214-G221 CarbonylContact O-C 3.26Å; Y214-G221 VanDerWaalsContact O-C 3.26Å; Y214-G221 WeakPolarHBondContact O-CA 3.4Å; Y214-Y222 AromaticContact CD1-CD1 3.84Å; Y214-Y222 HydrophobicContact CD1-CD1 3.84Å; Y214-Y222 AromaticContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CG-CD1 4.16Å; Y214-Y222 AromaticContact CG-CE1 3.82Å; Y214-Y222 HydrophobicContact CG-CE1 3.82Å; Y214-L223 PolarHBondContact O-N 3.34Å; Y214-L223 VanDerWaalsContact O-N 3.15Å
215T97.6Very high97Very high65 Ų6553.5 Ų53.540%0.39930%0.304SS..Hα-helixtrans-90.5-15.8169.754.10000112.9V211 P212 L223 A224V211-T215 HydrophobicContact CG1-CG2 3.94Å; V211-T215 WeakPolarHBondContact O-CG2 3.33Å; V211-T215 PolarHBondContact O-N 3.01Å; V211-T215 PolarHBondContact O-OG1 3.28Å; P212-T215 WeakPolarHBondContact CA-OG1 3.4Å; P212-T215 PolarHBondContact O-OG1 2.77Å; P212-T215 VanDerWaalsContact O-OG1 3.11Å; T215-L223 HydrophobicContact CG2-CB 4.08Å; T215-A224 WeakPolarHBondContact O-CA 3.09Å; T215-A224 WeakPolarHBondContact O-CB 3.47Å
216D97.9Very high96.9Very high73 Ų7354.1 Ų54.139%0.3931%0.313SS..  trans-78.1130.8179.5-171.24.7000111.7P212 A218 N219 G221P212-D216 WeakPolarHBondContact O-CB 3.4Å; P212-D216 PolarHBondContact O-N 3.37Å; P212-D216 VanDerWaalsContact O-N 3.11Å; D216-A218 VanDerWaalsContact C-N 3.32Å; D216-A218 PolarHBondContact OD1-N 3.32Å; D216-N219 PolarHBondContact O-N 3.08Å; D216-G221 PolarHBondContact O-N 3.16Å
217A97.8Very high96.9Very high10 Ų1060.9 Ų60.98%0.08334%0.343CS..THydrogen-bonded Turntrans-69.8-28.6177.600000112.4N219 R220 A224 K228 I229 A232A217-N219 PolarHBondContact O-N 3.28Å; A217-R220 PolarHBondContact O-N 2.86Å; A217-R220 VanDerWaalsContact O-N 3.07Å; A217-A224 HydrophobicContact CB-CB 4.46Å; A217-K228 HydrophobicContact CB-CB 3.69Å; A217-I229 HydrophobicContact CB-CG1 4.04Å; A217-A232 HydrophobicContact CB-CB 4.29Å
218A97.3Very high97Very high46 Ų4664.1 Ų64.138%0.3834%0.344SS..THydrogen-bonded Turntrans-61.6-34.9177.600000111.8D216 R220D216-A218 VanDerWaalsContact C-N 3.32Å; D216-A218 PolarHBondContact OD1-N 3.32Å; A218-R220 VanDerWaalsContact C-N 3.31Å; A218-R220 WeakPolarHBondContact O-CD 3.49Å; A218-R220 PolarHBondContact O-N 3.26Å; A218-R220 PolarHBondContact O-NH1 3.44Å
219N97.4Very high97Very high34 Ų3456.7 Ų56.718%0.18231%0.31CS..THydrogen-bonded Turntrans-88.13.4178.3-56.1-44.5000113.3T176 Y213 D216 A217 G221T176-N219 WeakPolarHBondContact CG2-O 3.44Å; T176-N219 PolarHBondContact OG1-O 3.1Å; Y213-N219 HydrophobicContact CD2-CB 4.29Å; Y213-N219 VanDerWaalsContact CD2-ND2 3.26Å; Y213-N219 WeakPolarHBondContact CD2-ND2 3.3Å; Y213-N219 HydrophobicContact CE1-CB 4.26Å; Y213-N219 HydrophobicContact CE2-CB 3.86Å; Y213-N219 WeakPolarHBondContact CE2-ND2 3.39Å; Y213-N219 PolarHBondContact O-ND2 2.88Å; D216-N219 PolarHBondContact O-N 3.08Å; A217-N219 PolarHBondContact O-N 3.28Å; N219-G221 PolarHBondContact O-N 3Å
220R97.9Very high97Very high10 Ų1053.6 Ų53.64%0.03829%0.29CS..THydrogen-bonded Turntrans55.641.3-173.7-73.257.5175.2175.32111.5I164 E168 V174 T176 A217 A218 I229 L236I164-R220 HydrophobicContact CG2-CG 4.46Å; I164-R220 VanDerWaalsContact CG2-NE 3.27Å; E168-R220 VanDerWaalsContact CD-NH2 3.28Å; E168-R220 IonicContact OE1-CZ 2.95Å; E168-R220 VanDerWaalsContact OE1-CZ 3.3Å; E168-R220 IonicContact OE1-NE 2.69Å; E168-R220 PolarHBondContact OE1-NE 3.49Å; E168-R220 IonicContact OE1-NH2 2.77Å; E168-R220 PolarHBondContact OE1-NH2 3.28Å; E168-R220 IonicContact OE2-CZ 2.79Å; E168-R220 IonicContact OE2-NH2 2.78Å; E168-R220 PolarHBondContact OE2-NH2 3.25Å; V174-R220 WeakPolarHBondContact O-CB 3.38Å; V174-R220 WeakPolarHBondContact O-CG 3.44Å; T176-R220 PolarHBondContact N-O 2.69Å; T176-R220 PolarHBondContact OG1-O 2.72Å; A217-R220 PolarHBondContact O-N 2.86Å; A217-R220 VanDerWaalsContact O-N 3.07Å; A218-R220 VanDerWaalsContact C-N 3.31Å; A218-R220 WeakPolarHBondContact O-CD 3.49Å; A218-R220 PolarHBondContact O-N 3.26Å; A218-R220 PolarHBondContact O-NH1 3.44Å; R220-I229 HydrophobicContact CG-CG2 4.46Å; R220-L236 VanDerWaalsContact NH2-CD1 3.35Å
221G97.3Very high97.1Very high0 Ų057.5 Ų57.50%031%0.305CS..BIsolated β-bridgetrans-56.3135.7-178.400000113.1T176 Y214 D216 N219 L223 A224T176-G221 VanDerWaalsContact OG1-CA 3.26Å; T176-G221 WeakPolarHBondContact OG1-CA 3.28Å; T176-G221 PolarHBondContact OG1-N 2.88Å; Y214-G221 CarbonylContact O-C 3.26Å; Y214-G221 VanDerWaalsContact O-C 3.26Å; Y214-G221 WeakPolarHBondContact O-CA 3.4Å; D216-G221 PolarHBondContact O-N 3.16Å; N219-G221 PolarHBondContact O-N 3Å; G221-L223 PolarHBondContact O-N 2.85Å; G221-A224 WeakPolarHBondContact O-CB 3.44Å; G221-A224 PolarHBondContact O-N 2.89Å; G221-A224 VanDerWaalsContact O-N 3.09Å
222Y96.9Very high97.1Very high16 Ų1655.7 Ų55.76%0.06330%0.297CS..THydrogen-bonded Turntrans-65.3-19.7179.877.1-69.1000114.2T176 F178 P206 Y214 R259 P262T176-Y222 VanDerWaalsContact O-CB 3.3Å; T176-Y222 WeakPolarHBondContact O-CB 3.49Å; T176-Y222 VanDerWaalsContact O-CD1 3.24Å; T176-Y222 WeakPolarHBondContact O-CD1 3.45Å; T176-Y222 PolarHBondContact O-N 3.23Å; F178-Y222 HydrophobicContact CB-CE1 4.08Å; P206-Y222 VanDerWaalsContact CD-OH 3.23Å; P206-Y222 WeakPolarHBondContact CD-OH 3.36Å; Y214-Y222 AromaticContact CD1-CD1 3.84Å; Y214-Y222 HydrophobicContact CD1-CD1 3.84Å; Y214-Y222 AromaticContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CG-CD1 4.16Å; Y214-Y222 AromaticContact CG-CE1 3.82Å; Y214-Y222 HydrophobicContact CG-CE1 3.82Å; Y222-R259 VanDerWaalsContact CA-NH2 3.29Å; Y222-R259 PolarHBondContact O-NH2 3.29Å; Y222-R259 VanDerWaalsContact O-NH2 3.12Å; Y222-P262 HydrophobicContact CD2-CB 4.1Å; Y222-P262 HydrophobicContact CD2-CG 4.24Å; Y222-P262 HydrophobicContact CE2-CB 3.74Å; Y222-P262 HydrophobicContact CE2-CG 4.33Å
223L97.1Very high97.1Very high60 Ų6052.8 Ų52.831%0.31428%0.275SS..THydrogen-bonded Turntrans-99.92.5176.7-60174.1000112.9Y214 T215 G221 P262Y214-L223 PolarHBondContact O-N 3.34Å; Y214-L223 VanDerWaalsContact O-N 3.15Å; T215-L223 HydrophobicContact CG2-CB 4.08Å; G221-L223 PolarHBondContact O-N 2.85Å; L223-P262 HydrophobicContact CD2-CB 4.07Å; L223-P262 HydrophobicContact CD2-CG 4.08Å
224A97Very high97Very high8 Ų854.7 Ų54.77%0.06629%0.287CS..SBendtrans-79151.9-178.400000112.1T215 A217 G221 P226 I229T215-A224 WeakPolarHBondContact O-CA 3.09Å; T215-A224 WeakPolarHBondContact O-CB 3.47Å; A217-A224 HydrophobicContact CB-CB 4.46Å; G221-A224 WeakPolarHBondContact O-CB 3.44Å; G221-A224 PolarHBondContact O-N 2.89Å; G221-A224 VanDerWaalsContact O-N 3.09Å; A224-P226 WeakPolarHBondContact O-CD 3.39Å; A224-I229 HydrophobicContact CB-CD1 4.13Å; A224-I229 HydrophobicContact CB-CG1 4.13Å
225D97Very high97Very high84 Ų8457.2 Ų57.245%0.44931%0.307SS..  trans-62.3124.6176.8-61.4-37.7000110.8E227 K228 I229D225-E227 VanDerWaalsContact C-N 3.27Å; D225-E227 PolarHBondContact O-N 3.05Å; D225-K228 HydrophobicContact CB-CB 4.24Å; D225-K228 HydrophobicContact CB-CD 4.02Å; D225-K228 HydrophobicContact CB-CG 4.05Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD2-CD 3.44Å; D225-K228 VanDerWaalsContact OD2-CE 3.23Å; D225-K228 WeakPolarHBondContact OD2-CE 3.29Å; D225-K228 IonicContact OD2-NZ 2.87Å; D225-K228 PolarHBondContact OD2-NZ 3.27Å; D225-I229 PolarHBondContact O-N 3.28Å; D225-I229 VanDerWaalsContact O-N 3.13Å
226P95.2Very high97Very high97 Ų9754.4 Ų54.463%0.6329%0.29SS*.Hα-helixtrans-56.2-37.1-177.1-27.935000114.3A224 I229 Q230A224-P226 WeakPolarHBondContact O-CD 3.39Å; P226-I229 WeakPolarHBondContact O-CB 3.47Å; P226-I229 PolarHBondContact O-N 2.56Å; P226-Q230 PolarHBondContact O-N 3.46Å
227E96.1Very high97Very high152 Ų15251.3 Ų51.371%0.7127%0.274SS*.Hα-helixtrans-66.3-37.9178.4-63.2-175177.800112.6D225 I229 Q230 K231D225-E227 VanDerWaalsContact C-N 3.27Å; D225-E227 PolarHBondContact O-N 3.05Å; E227-I229 VanDerWaalsContact C-N 3.34Å; E227-Q230 PolarHBondContact O-N 2.97Å; E227-K231 PolarHBondContact O-N 3.01Å
228K97.4Very high96.9Very high116 Ų11658.1 Ų58.150%0.50430%0.304SS..Hα-helixtrans-69.7-35.5177.2-68180-175.8154.80110.9A217 D225 Q230 K231 A232A217-K228 HydrophobicContact CB-CB 3.69Å; D225-K228 HydrophobicContact CB-CB 4.24Å; D225-K228 HydrophobicContact CB-CD 4.02Å; D225-K228 HydrophobicContact CB-CG 4.05Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD2-CD 3.44Å; D225-K228 VanDerWaalsContact OD2-CE 3.23Å; D225-K228 WeakPolarHBondContact OD2-CE 3.29Å; D225-K228 IonicContact OD2-NZ 2.87Å; D225-K228 PolarHBondContact OD2-NZ 3.27Å; K228-Q230 VanDerWaalsContact C-N 3.32Å; K228-Q230 PolarHBondContact O-N 3.41Å; K228-K231 PolarHBondContact O-N 3.14Å; K228-A232 WeakPolarHBondContact O-CB 3.23Å; K228-A232 PolarHBondContact O-N 3.25Å
229I96.4Very high96.9Very high23 Ų2362.2 Ų62.212%0.11831%0.314CS..Hα-helixtrans-57.6-48.3172.7-62.9172.7000109.4A217 R220 A224 D225 P226 E227 K231 A232 R233A217-I229 HydrophobicContact CB-CG1 4.04Å; R220-I229 HydrophobicContact CG-CG2 4.46Å; A224-I229 HydrophobicContact CB-CD1 4.13Å; A224-I229 HydrophobicContact CB-CG1 4.13Å; D225-I229 PolarHBondContact O-N 3.28Å; D225-I229 VanDerWaalsContact O-N 3.13Å; P226-I229 WeakPolarHBondContact O-CB 3.47Å; P226-I229 PolarHBondContact O-N 2.56Å; E227-I229 VanDerWaalsContact C-N 3.34Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.14Å; I229-A232 WeakPolarHBondContact O-CB 3.44Å; I229-A232 PolarHBondContact O-N 2.84Å; I229-A232 VanDerWaalsContact O-N 3.08Å; I229-R233 HydrophobicContact CG2-CG 4.45Å; I229-R233 WeakPolarHBondContact O-CG 3.45Å; I229-R233 PolarHBondContact O-N 3.33Å
230Q94.9Very high96.9Very high93 Ų9364 Ų6444%0.43532%0.318SS..Hα-helixtrans-60.6-40.4179.8-169.56213.500112.7P226 E227 K228 R233 I234P226-Q230 PolarHBondContact O-N 3.46Å; E227-Q230 PolarHBondContact O-N 2.97Å; K228-Q230 VanDerWaalsContact C-N 3.32Å; K228-Q230 PolarHBondContact O-N 3.41Å; Q230-R233 PolarHBondContact O-N 2.93Å; Q230-I234 WeakPolarHBondContact O-CG1 3.12Å; Q230-I234 PolarHBondContact O-N 3.25Å
231K97Very high96.8Very high143 Ų14366.8 Ų66.862%0.62235%0.351SS*.Hα-helixtrans-62.6-42.6173.3-67.6175.9-175.81750112E227 K228 I229 R233 I234 A235E227-K231 PolarHBondContact O-N 3.01Å; K228-K231 PolarHBondContact O-N 3.14Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.14Å; K231-R233 VanDerWaalsContact C-N 3.31Å; K231-R233 PolarHBondContact O-N 3.33Å; K231-I234 PolarHBondContact O-N 3.17Å; K231-A235 PolarHBondContact O-N 3.18Å
232A97.4Very high96.8Very high19 Ų1968 Ų6816%0.15736%0.355CS..Hα-helixtrans-63.7-34.817800000112.6A217 K228 I229 A235 L236A217-A232 HydrophobicContact CB-CB 4.29Å; K228-A232 WeakPolarHBondContact O-CB 3.23Å; K228-A232 PolarHBondContact O-N 3.25Å; I229-A232 WeakPolarHBondContact O-CB 3.44Å; I229-A232 PolarHBondContact O-N 2.84Å; I229-A232 VanDerWaalsContact O-N 3.08Å; A232-A235 PolarHBondContact O-N 3.01Å; A232-L236 WeakPolarHBondContact O-CB 3.42Å; A232-L236 PolarHBondContact O-N 3.11Å
233R96.8Very high96.8Very high22 Ų2273.6 Ų73.68%0.08339%0.391CS..Hα-helixtrans-63.4-44.4173.9-65.4-177.470.31757.3112.3E168 I229 Q230 K231 L236 A237 L244E168-R233 IonicContact OE1-NE 2.92Å; E168-R233 WeakPolarHBondContact OE2-CG 3.1Å; E168-R233 IonicContact OE2-NE 2.62Å; I229-R233 HydrophobicContact CG2-CG 4.45Å; I229-R233 WeakPolarHBondContact O-CG 3.45Å; I229-R233 PolarHBondContact O-N 3.33Å; Q230-R233 PolarHBondContact O-N 2.93Å; K231-R233 VanDerWaalsContact C-N 3.31Å; K231-R233 PolarHBondContact O-N 3.33Å; R233-L236 PolarHBondContact O-N 3.29Å; R233-A237 WeakPolarHBondContact O-CB 3.47Å; R233-A237 PolarHBondContact O-N 2.73Å; R233-L244 HydrophobicContact CB-CD1 4.37Å; R233-L244 HydrophobicContact CB-CD2 3.95Å
234I96.9Very high96.7Very high77 Ų7772.6 Ų72.640%0.39539%0.385SS..Hα-helixtrans-63.6-45.5177.1-63.6166.7000110.3Q230 K231 L236 A237 Q238 L244Q230-I234 WeakPolarHBondContact O-CG1 3.12Å; Q230-I234 PolarHBondContact O-N 3.25Å; K231-I234 PolarHBondContact O-N 3.17Å; I234-L236 VanDerWaalsContact C-N 3.33Å; I234-L236 PolarHBondContact O-N 3.31Å; I234-A237 PolarHBondContact O-N 3.16Å; I234-Q238 WeakPolarHBondContact O-CG 3.44Å; I234-Q238 PolarHBondContact O-N 3.03Å; I234-L244 HydrophobicContact CG1-CD2 4.22Å
235A97.4Very high96.6Very high53 Ų5374.4 Ų74.444%0.43840%0.397SS..Hα-helixtrans-61-41.4177.700000112.1K231 A232 Q238 K239K231-A235 PolarHBondContact O-N 3.18Å; A232-A235 PolarHBondContact O-N 3.01Å; A235-Q238 PolarHBondContact O-N 3.5Å; A235-K239 WeakPolarHBondContact O-CB 3.36Å; A235-K239 PolarHBondContact O-N 3.21Å
236L97.3Very high96.4Very high7 Ų774.4 Ų74.44%0.03740%0.397CS..Hα-helixtrans-66.7-43.6177.6-160.6158.7000111E161 I164 A165 R220 A232 R233 I234 Q238 K239 Y240 Y242E161-L236 HydrophobicContact CG-CD1 3.88Å; E161-L236 HydrophobicContact CG-CG 4.5Å; I164-L236 HydrophobicContact CB-CD1 4.45Å; I164-L236 HydrophobicContact CG2-CD1 4.17Å; A165-L236 VanDerWaalsContact CA-CD2 3.46Å; A165-L236 HydrophobicContact CB-CD2 3.32Å; R220-L236 VanDerWaalsContact NH2-CD1 3.35Å; A232-L236 WeakPolarHBondContact O-CB 3.42Å; A232-L236 PolarHBondContact O-N 3.11Å; R233-L236 PolarHBondContact O-N 3.29Å; I234-L236 VanDerWaalsContact C-N 3.33Å; I234-L236 PolarHBondContact O-N 3.31Å; L236-Q238 VanDerWaalsContact C-N 3.3Å; L236-Q238 PolarHBondContact O-N 3.2Å; L236-K239 PolarHBondContact O-N 3.08Å; L236-K239 VanDerWaalsContact O-N 3.12Å; L236-Y240 HydrophobicContact CD2-CD2 3.41Å; L236-Y240 VanDerWaalsContact CD2-CD2 3.41Å; L236-Y240 HydrophobicContact CD2-CE2 3.88Å; L236-Y240 HydrophobicContact CD2-CG 4.27Å; L236-Y240 HydrophobicContact CG-CD2 3.87Å; L236-Y240 HydrophobicContact CG-CE2 4.03Å; L236-Y240 PolarHBondContact O-N 3.4Å; L236-Y242 HydrophobicContact CD2-CE1 3.85Å; L236-Y242 VanDerWaalsContact CD2-OH 3.27Å; L236-Y242 WeakPolarHBondContact CD2-OH 3.23Å
237A97.3Very high96.3Very high7 Ų770.5 Ų70.56%0.05837%0.37CS..Hα-helixtrans-58.1-42.1175.700000112.3R233 I234 G241 Y242 L244R233-A237 WeakPolarHBondContact O-CB 3.47Å; R233-A237 PolarHBondContact O-N 2.73Å; I234-A237 PolarHBondContact O-N 3.16Å; A237-G241 PolarHBondContact O-N 3.3Å; A237-Y242 HydrophobicContact CB-CD2 4.14Å; A237-Y242 HydrophobicContact CB-CE1 4.35Å; A237-Y242 HydrophobicContact CB-CE2 3.76Å; A237-Y242 WeakPolarHBondContact CB-O 3.46Å; A237-Y242 PolarHBondContact O-N 2.76Å; A237-L244 HydrophobicContact CB-CB 4.1Å
238Q97.3Very high96.1Very high153 Ų15366.6 Ų66.672%0.71536%0.36SS*.Hα-helixtrans-63.7-43.2173.3-71.1173.9-7.200112.2I234 A235 L236I234-Q238 WeakPolarHBondContact O-CG 3.44Å; I234-Q238 PolarHBondContact O-N 3.03Å; A235-Q238 PolarHBondContact O-N 3.5Å; L236-Q238 VanDerWaalsContact C-N 3.3Å; L236-Q238 PolarHBondContact O-N 3.2Å
239K97.6Very high95.8Very high132 Ų13269.3 Ų69.357%0.57437%0.372SS*.Hα-helixtrans-64.4-45.3180179.6179172.2-178.70113.1E161 A235 L236E161-K239 VanDerWaalsContact OE1-CD 3.27Å; E161-K239 WeakPolarHBondContact OE1-CD 3.43Å; E161-K239 WeakPolarHBondContact OE1-CE 3.45Å; E161-K239 IonicContact OE1-NZ 3.37Å; E161-K239 PolarHBondContact OE1-NZ 2.7Å; E161-K239 IonicContact OE2-NZ 2.89Å; E161-K239 PolarHBondContact OE2-NZ 3.01Å; A235-K239 WeakPolarHBondContact O-CB 3.36Å; A235-K239 PolarHBondContact O-N 3.21Å; L236-K239 PolarHBondContact O-N 3.08Å; L236-K239 VanDerWaalsContact O-N 3.12Å
240Y96.8Very high95.6Very high72 Ų7270.4 Ų70.428%0.28238%0.378SS..Hα-helixtrans-93.64.9-177.4-74.4-89.9000113.7E161 A165 R169 L236E161-Y240 HydrophobicContact CG-CE2 3.92Å; A165-Y240 HydrophobicContact CB-CD1 4.22Å; A165-Y240 HydrophobicContact CB-CD2 3.93Å; A165-Y240 HydrophobicContact CB-CE1 4.43Å; A165-Y240 HydrophobicContact CB-CE2 4.15Å; A165-Y240 HydrophobicContact CB-CG 3.96Å; R169-Y240 PolarHBondContact NH2-O 3.07Å; L236-Y240 HydrophobicContact CD2-CD2 3.41Å; L236-Y240 VanDerWaalsContact CD2-CD2 3.41Å; L236-Y240 HydrophobicContact CD2-CE2 3.88Å; L236-Y240 HydrophobicContact CD2-CG 4.27Å; L236-Y240 HydrophobicContact CG-CD2 3.87Å; L236-Y240 HydrophobicContact CG-CE2 4.03Å; L236-Y240 PolarHBondContact O-N 3.4Å
241G96.4Very high95.5Very high69 Ų6975.2 Ų75.271%0.71140%0.4SS*.THydrogen-bonded Turntrans64.644.7171.700000114.6A237A237-G241 PolarHBondContact O-N 3.3Å
242Y96.6Very high95.4Very high25 Ų2571.7 Ų71.710%0.09839%0.388CS..  trans-126.8153.2172.467.2-90.4000111.9A165 R169 L236 A237 L244A165-Y242 HydrophobicContact CB-CE1 4.24Å; R169-Y242 HydrophobicContact CB-CD1 4.31Å; R169-Y242 HydrophobicContact CB-CD2 3.81Å; R169-Y242 HydrophobicContact CB-CE1 4.47Å; R169-Y242 HydrophobicContact CB-CE2 4.01Å; R169-Y242 HydrophobicContact CB-CG 3.98Å; R169-Y242 HydrophobicContact CG-CD2 4.05Å; R169-Y242 HydrophobicContact CG-CG 3.97Å; L236-Y242 HydrophobicContact CD2-CE1 3.85Å; L236-Y242 VanDerWaalsContact CD2-OH 3.27Å; L236-Y242 WeakPolarHBondContact CD2-OH 3.23Å; A237-Y242 HydrophobicContact CB-CD2 4.14Å; A237-Y242 HydrophobicContact CB-CE1 4.35Å; A237-Y242 HydrophobicContact CB-CE2 3.76Å; A237-Y242 WeakPolarHBondContact CB-O 3.46Å; A237-Y242 PolarHBondContact O-N 2.76Å; Y242-L244 HydrophobicContact CE2-CD1 4.18Å
243V95.9Very high95.2Very high133 Ų13374 Ų7481%0.80639%0.394SS*.PPolyproline II helixtrans-81123.4173.9-178.70000108.2P245V243-P245 VanDerWaalsContact O-CD 3.3Å; V243-P245 WeakPolarHBondContact O-CD 3.29Å
244L95.1Very high95Very high39 Ų3980 Ų8020%0.20442%0.423CS..PPolyproline II helixtrans-69.4118.7178.1-173.269.6000109.4R233 I234 A237 Y242R233-L244 HydrophobicContact CB-CD1 4.37Å; R233-L244 HydrophobicContact CB-CD2 3.95Å; I234-L244 HydrophobicContact CG1-CD2 4.22Å; A237-L244 HydrophobicContact CB-CB 4.1Å; Y242-L244 HydrophobicContact CE2-CD1 4.18Å
245P94.9Very high94.9Very high47 Ų4777.1 Ų77.131%0.30541%0.408SS..PPolyproline II helixtrans-69.5141.6177.128.3-34.8000111G171 V243 I247G171-P245 VanDerWaalsContact CA-CG 3.42Å; V243-P245 VanDerWaalsContact O-CD 3.3Å; V243-P245 WeakPolarHBondContact O-CD 3.29Å; P245-I247 PolarHBondContact O-N 2.82Å
246D93.6Very high94.7Very high84 Ų8474.6 Ų74.645%0.44939%0.387SS..  trans-80.7102.9176.2-175.63000110.1S248 K249D246-S248 VanDerWaalsContact C-N 3.25Å; D246-S248 VanDerWaalsContact CG-OG 3.31Å; D246-S248 PolarHBondContact O-N 3.16Å; D246-S248 WeakPolarHBondContact OD1-CB 3.42Å; D246-S248 PolarHBondContact OD1-N 3.16Å; D246-S248 PolarHBondContact OD1-OG 2.9Å; D246-S248 PolarHBondContact OD2-OG 2.89Å; D246-K249 HydrophobicContact CB-CD 4.45Å; D246-K249 WeakPolarHBondContact OD2-CD 3.24Å; D246-K249 WeakPolarHBondContact OD2-CE 3.45Å; D246-K249 IonicContact OD2-NZ 3.11Å; D246-K249 PolarHBondContact OD2-NZ 3.14Å; D246-K249 VanDerWaalsContact OD2-NZ 3.11Å
247I92.3Very high94.5Very high14 Ų1481 Ų817%0.07242%0.415CS..G310 helixtrans-72.8-21.2-175.1-55166.4000111.3I173 P245 K249 D250 F253 L256I173-I247 HydrophobicContact CD1-CD1 4.01Å; I173-I247 HydrophobicContact CG1-CD1 3.83Å; P245-I247 PolarHBondContact O-N 2.82Å; I247-K249 PolarHBondContact O-N 3.26Å; I247-D250 VanDerWaalsContact O-CB 3.27Å; I247-D250 WeakPolarHBondContact O-CB 3.46Å; I247-D250 PolarHBondContact O-N 2.67Å; I247-D250 VanDerWaalsContact O-N 3.11Å; I247-F253 HydrophobicContact CG2-CD2 4.13Å; I247-F253 WeakPolarHBondContact O-CD2 3.47Å; I247-L256 HydrophobicContact CG2-CB 4.18Å; I247-L256 HydrophobicContact CG2-CD1 3.47Å; I247-L256 VanDerWaalsContact CG2-CD1 3.47Å; I247-L256 HydrophobicContact CG2-CG 4.48Å
248S92.3Very high94.3Very high71 Ų7185.3 Ų85.350%0.49744%0.435SS..G310 helixtrans-63-25.4-178.368.20000113.6D246 D250D246-S248 VanDerWaalsContact C-N 3.25Å; D246-S248 VanDerWaalsContact CG-OG 3.31Å; D246-S248 PolarHBondContact O-N 3.16Å; D246-S248 WeakPolarHBondContact OD1-CB 3.42Å; D246-S248 PolarHBondContact OD1-N 3.16Å; D246-S248 PolarHBondContact OD1-OG 2.9Å; D246-S248 PolarHBondContact OD2-OG 2.89Å; S248-D250 VanDerWaalsContact C-N 3.34Å
249K92.5Very high94.2Very high173 Ų17382.6 Ų82.675%0.75242%0.418SS*.G310 helixtrans-88.6-3.1-179.3-64.5174.1-178156.70113.4D246 I247D246-K249 HydrophobicContact CB-CD 4.45Å; D246-K249 WeakPolarHBondContact OD2-CD 3.24Å; D246-K249 WeakPolarHBondContact OD2-CE 3.45Å; D246-K249 IonicContact OD2-NZ 3.11Å; D246-K249 PolarHBondContact OD2-NZ 3.14Å; D246-K249 VanDerWaalsContact OD2-NZ 3.11Å; I247-K249 PolarHBondContact O-N 3.26Å
250D92.4Very high94.1Very high46 Ų4676.9 Ų76.925%0.24639%0.394CS..SBendtrans-85.3146.7-175.2-173.651.2000112.4K151 I247 S248 L252 F253 L256K151-D250 WeakPolarHBondContact CE-OD2 3.47Å; K151-D250 IonicContact NZ-OD1 2.98Å; K151-D250 PolarHBondContact NZ-OD1 3.02Å; K151-D250 IonicContact NZ-OD2 3.3Å; K151-D250 PolarHBondContact NZ-OD2 3.2Å; I247-D250 VanDerWaalsContact O-CB 3.27Å; I247-D250 WeakPolarHBondContact O-CB 3.46Å; I247-D250 PolarHBondContact O-N 2.67Å; I247-D250 VanDerWaalsContact O-N 3.11Å; S248-D250 VanDerWaalsContact C-N 3.34Å; D250-L252 VanDerWaalsContact C-N 3.26Å; D250-L252 PolarHBondContact O-N 2.84Å; D250-L252 PolarHBondContact OD2-N 3.12Å; D250-F253 VanDerWaalsContact O-CB 3.23Å; D250-F253 WeakPolarHBondContact O-CB 3.39Å; D250-F253 PolarHBondContact O-N 3.28Å; D250-L256 WeakPolarHBondContact OD2-CD1 3.44Å
251E92.6Very high94Very high193 Ų19378.6 Ų78.690%0.90241%0.408SS*.THydrogen-bonded Turntrans-63.8-33.5177.9-62.7178.2-176.800111.9F253E251-F253 VanDerWaalsContact C-N 3.28Å; E251-F253 PolarHBondContact O-N 3.38Å
252L93.4Very high94Very high69 Ų6977.8 Ų77.836%0.36139%0.39SS..THydrogen-bonded Turntrans-87.511.7179.6-60.9178.2000113.6D250 H254 M255 L256D250-L252 VanDerWaalsContact C-N 3.26Å; D250-L252 PolarHBondContact O-N 2.84Å; D250-L252 PolarHBondContact OD2-N 3.12Å; L252-H254 VanDerWaalsContact C-N 3.29Å; L252-H254 PolarHBondContact O-N 3.31Å; L252-M255 HydrophobicContact CB-CE 4.25Å; L252-M255 HydrophobicContact CD1-CE 4.27Å; L252-M255 PolarHBondContact O-N 3.27Å; L252-L256 HydrophobicContact CB-CD1 4.36Å; L252-L256 HydrophobicContact CB-CG 4.43Å; L252-L256 WeakPolarHBondContact O-CG 3.26Å; L252-L256 PolarHBondContact O-N 2.98Å
253F93.4Very high94Very high67 Ų6779.6 Ų79.629%0.29440%0.396SS..Hα-helixtrans-50.7-46-176.8172.9-109.9000113.2I247 D250 E251 M255 L256 F257I247-F253 HydrophobicContact CG2-CD2 4.13Å; I247-F253 WeakPolarHBondContact O-CD2 3.47Å; D250-F253 VanDerWaalsContact O-CB 3.23Å; D250-F253 WeakPolarHBondContact O-CB 3.39Å; D250-F253 PolarHBondContact O-N 3.28Å; E251-F253 VanDerWaalsContact C-N 3.28Å; E251-F253 PolarHBondContact O-N 3.38Å; F253-M255 VanDerWaalsContact C-N 3.33Å; F253-M255 PolarHBondContact O-N 2.72Å; F253-L256 PolarHBondContact O-N 3.15Å; F253-F257 HydrophobicContact CE2-CD2 4.5Å; F253-F257 HydrophobicContact CZ-CD2 4.42Å; F253-F257 WeakPolarHBondContact O-CB 3.4Å; F253-F257 PolarHBondContact O-N 3.32Å
254H93.4Very high94Very high148 Ų14874.2 Ų74.269%0.68536%0.363SS*.Hα-helixtrans-61-41-180-71.3-11000112.6L252 M258L252-H254 VanDerWaalsContact C-N 3.29Å; L252-H254 PolarHBondContact O-N 3.31Å; H254-M258 VanDerWaalsContact O-CG 3.24Å; H254-M258 WeakPolarHBondContact O-CG 3.46Å; H254-M258 PolarHBondContact O-N 2.83Å
255M94.2Very high94.1Very high17 Ų1772.4 Ų72.48%0.08435%0.353CS..Hα-helixtrans-68.8-42.3177.1-179-84.2-65.500111.7P112 T113 P115 N153 L252 F253 F257 M258P112-M255 WeakPolarHBondContact O-CE 3.49Å; T113-M255 WeakPolarHBondContact O-CG 3.33Å; P115-M255 HydrophobicContact CG-CG 4.22Å; P115-M255 HydrophobicContact CG-SD 4.32Å; N153-M255 HydrophobicContact CB-SD 3.89Å; N153-M255 PolarHBondContact ND2-O 3.3Å; L252-M255 HydrophobicContact CB-CE 4.25Å; L252-M255 HydrophobicContact CD1-CE 4.27Å; L252-M255 PolarHBondContact O-N 3.27Å; F253-M255 VanDerWaalsContact C-N 3.33Å; F253-M255 PolarHBondContact O-N 2.72Å; M255-F257 VanDerWaalsContact C-N 3.27Å; M255-F257 PolarHBondContact O-N 2.8Å; M255-M258 WeakPolarHBondContact O-CB 3.02Å; M255-M258 PolarHBondContact O-N 3.04Å
256L93.6Very high94.1Very high1 Ų171 Ų711%0.00534%0.342CS..Hα-helixtrans-64.8-34.6179.6-65.7171.2000111.8N153 I173 I247 D250 L252 F253 M258N153-L256 HydrophobicContact CB-CD2 3.95Å; N153-L256 PolarHBondContact ND2-O 3.33Å; N153-L256 VanDerWaalsContact ND2-O 3.15Å; I173-L256 HydrophobicContact CD1-CB 3.99Å; I173-L256 WeakPolarHBondContact CD1-O 3.38Å; I247-L256 HydrophobicContact CG2-CB 4.18Å; I247-L256 HydrophobicContact CG2-CD1 3.47Å; I247-L256 VanDerWaalsContact CG2-CD1 3.47Å; I247-L256 HydrophobicContact CG2-CG 4.48Å; D250-L256 WeakPolarHBondContact OD2-CD1 3.44Å; L252-L256 HydrophobicContact CB-CD1 4.36Å; L252-L256 HydrophobicContact CB-CG 4.43Å; L252-L256 WeakPolarHBondContact O-CG 3.26Å; L252-L256 PolarHBondContact O-N 2.98Å; F253-L256 PolarHBondContact O-N 3.15Å; L256-M258 VanDerWaalsContact C-N 3.35Å
257F92.4Very high94.2Very high140 Ų14070.2 Ų70.261%0.61434%0.335SS*.Hα-helixtrans-79.4-14.5177.8-162.5-100.1000113.7F253 M255 R259F253-F257 HydrophobicContact CE2-CD2 4.5Å; F253-F257 HydrophobicContact CZ-CD2 4.42Å; F253-F257 WeakPolarHBondContact O-CB 3.4Å; F253-F257 PolarHBondContact O-N 3.32Å; M255-F257 VanDerWaalsContact C-N 3.27Å; M255-F257 PolarHBondContact O-N 2.8Å; F257-R259 PolarHBondContact O-N 3.35Å
258M94.8Very high94.2Very high98 Ų9872.5 Ų72.548%0.48336%0.362SS..  trans-60.2125.6177.9-68.5-166.9-164.100110.7P115 N153 H254 M255 L256 F267P115-M258 HydrophobicContact CG-CB 4.27Å; P115-M258 HydrophobicContact CG-SD 4.42Å; N153-M258 PolarHBondContact ND2-O 3.49Å; H254-M258 VanDerWaalsContact O-CG 3.24Å; H254-M258 WeakPolarHBondContact O-CG 3.46Å; H254-M258 PolarHBondContact O-N 2.83Å; M255-M258 WeakPolarHBondContact O-CB 3.02Å; M255-M258 PolarHBondContact O-N 3.04Å; L256-M258 VanDerWaalsContact C-N 3.35Å; M258-F267 HydrophobicContact CB-CE1 4.42Å
259R94.8Very high94.4Very high96 Ų9670.7 Ų70.736%0.36235%0.347SS..  trans-134.7145.6174.7-68.4176.963.3-175.6-6.6108.9Y222 F257Y222-R259 VanDerWaalsContact CA-NH2 3.29Å; Y222-R259 PolarHBondContact O-NH2 3.29Å; Y222-R259 VanDerWaalsContact O-NH2 3.12Å; F257-R259 PolarHBondContact O-N 3.35Å
260K95.1Very high94.5Very high13 Ų1364.4 Ų64.46%0.05733%0.325CS..  trans-74.4147.6171.5-78.7175.3-72.3-172.80110.2D117 E155 Y179 Q264 I265 F267D117-K260 IonicContact OD1-NZ 3.92Å; D117-K260 PolarHBondContact OD1-NZ 3.03Å; D117-K260 IonicContact OD2-NZ 3.82Å; D117-K260 PolarHBondContact OD2-NZ 3.24Å; E155-K260 IonicContact OE1-NZ 3.75Å; E155-K260 WeakPolarHBondContact OE2-CE 3.3Å; E155-K260 IonicContact OE2-NZ 2.7Å; E155-K260 PolarHBondContact OE2-NZ 3.1Å; Y179-K260 WeakPolarHBondContact OH-CE 3.27Å; Y179-K260 PolarHBondContact OH-NZ 3.07Å; K260-Q264 HydrophobicContact CB-CB 4.45Å; K260-I265 WeakPolarHBondContact CD-O 3.23Å; K260-I265 PolarHBondContact NZ-O 2.94Å; K260-F267 HydrophobicContact CD-CD1 4.41Å; K260-F267 HydrophobicContact CD-CD2 3.84Å; K260-F267 HydrophobicContact CD-CE1 4.41Å; K260-F267 HydrophobicContact CD-CE2 3.82Å; K260-F267 HydrophobicContact CD-CG 4.15Å; K260-F267 HydrophobicContact CD-CZ 4.12Å; K260-F267 VanDerWaalsContact CE-CE2 3.4Å; K260-F267 HydrophobicContact CG-CD1 3.73Å; K260-F267 HydrophobicContact CG-CD2 4.07Å; K260-F267 HydrophobicContact CG-CE1 3.67Å; K260-F267 HydrophobicContact CG-CE2 3.99Å; K260-F267 HydrophobicContact CG-CG 3.94Å; K260-F267 HydrophobicContact CG-CZ 3.8Å
261D95.2Very high94.8Very high108 Ų10863 Ų6358%0.57832%0.318SS*.  trans-61150.7168.4-72.1-35.6000110.8R203 R263 Q264R203-D261 PolarHBondContact NH2-O 3.28Å; D261-R263 PolarHBondContact O-N 3.12Å; D261-Q264 HydrophobicContact CB-CB 3.95Å; D261-Q264 PolarHBondContact O-N 2.72Å
262P95.8Very high95Very high51 Ų5154 Ų5433%0.33128%0.277SS..THydrogen-bonded Turntrans-52.1-29.5176.7-33.139.2000114.6R203 Y222 L223R203-P262 VanDerWaalsContact CG-O 3.23Å; R203-P262 WeakPolarHBondContact CG-O 3.38Å; R203-P262 PolarHBondContact NE-O 2.78Å; Y222-P262 HydrophobicContact CD2-CB 4.1Å; Y222-P262 HydrophobicContact CD2-CG 4.24Å; Y222-P262 HydrophobicContact CE2-CB 3.74Å; Y222-P262 HydrophobicContact CE2-CG 4.33Å; L223-P262 HydrophobicContact CD2-CB 4.07Å; L223-P262 HydrophobicContact CD2-CG 4.08Å
263R96.5Very high95.2Very high63 Ų6353 Ų5324%0.23827%0.269CS..THydrogen-bonded Turntrans-96.3-6.3180-66.6-61-165.3174.2-1114.4K202 R203 D261K202-R263 WeakPolarHBondContact CA-O 3.26Å; K202-R263 HydrophobicContact CB-CB 4.26Å; R203-R263 PolarHBondContact N-O 3.17Å; R203-R263 WeakPolarHBondContact O-CD 3.46Å; R203-R263 PolarHBondContact O-NH1 3.29Å; D261-R263 PolarHBondContact O-N 3.12Å
264Q96.2Very high95.4Very high21 Ų2151.7 Ų51.710%0.09827%0.266CS..  trans-90.6142.6-174-174174.229.600112.3R203 K260 D261 F266 L269R203-Q264 WeakPolarHBondContact CD-O 3.45Å; R203-Q264 PolarHBondContact NE-O 3.01Å; R203-Q264 VanDerWaalsContact NE-O 3.12Å; K260-Q264 HydrophobicContact CB-CB 4.45Å; D261-Q264 HydrophobicContact CB-CB 3.95Å; D261-Q264 PolarHBondContact O-N 2.72Å; Q264-F266 WeakPolarHBondContact CG-O 3.47Å; Q264-F266 PolarHBondContact NE2-O 2.82Å; Q264-L269 WeakPolarHBondContact CG-O 3.42Å; Q264-L269 PolarHBondContact NE2-O 3.32Å
265I96.1Very high95.6Very high1 Ų145.7 Ų45.71%0.00524%0.24CC..SBendtrans-95.1-52.9178.3-62.9-179.8000111.2S183 V186 L187 I200 P201 R203 K260S183-I265 WeakPolarHBondContact OG-CD1 3.11Å; V186-I265 HydrophobicContact CG1-CG2 4.48Å; L187-I265 HydrophobicContact CB-CG2 4.32Å; L187-I265 HydrophobicContact CD1-CG2 3.68Å; L187-I265 WeakPolarHBondContact CD1-O 3.4Å; I200-I265 HydrophobicContact CG2-CD1 4.48Å; P201-I265 HydrophobicContact CG-CD1 3.76Å; P201-I265 WeakPolarHBondContact O-CD1 3.1Å; R203-I265 HydrophobicContact CB-CG1 4.12Å; K260-I265 WeakPolarHBondContact CD-O 3.23Å; K260-I265 PolarHBondContact NZ-O 2.94Å
266F96.6Very high95.7Very high17 Ų1747 Ų478%0.07525%0.248CC..BIsolated β-bridgetrans-108.2147.2-174.9-59.8-72.6000111.2T119 V186 L187 P190 F194 I200 Q264 G268 L269T119-F266 HydrophobicContact CG2-CD1 4.09Å; T119-F266 HydrophobicContact CG2-CE1 4.02Å; V186-F266 HydrophobicContact CG1-CE2 3.74Å; V186-F266 HydrophobicContact CG1-CZ 3.59Å; L187-F266 HydrophobicContact CD1-CD1 3.97Å; L187-F266 HydrophobicContact CD1-CE1 3.95Å; P190-F266 HydrophobicContact CB-CE1 3.79Å; P190-F266 HydrophobicContact CB-CZ 3.74Å; P190-F266 HydrophobicContact CG-CE1 4.49Å; F194-F266 HydrophobicContact CE1-CE2 4.22Å; F194-F266 HydrophobicContact CZ-CD2 4.25Å; F194-F266 AromaticContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CZ 4.09Å; I200-F266 HydrophobicContact CD1-CD2 4.37Å; I200-F266 HydrophobicContact CG2-CD2 4.34Å; Q264-F266 WeakPolarHBondContact CG-O 3.47Å; Q264-F266 PolarHBondContact NE2-O 2.82Å; F266-G268 PolarHBondContact O-N 2.98Å; F266-L269 HydrophobicContact CB-CB 4.17Å; F266-L269 HydrophobicContact CB-CD1 4.31Å; F266-L269 HydrophobicContact CD2-CD1 4.47Å
267F94.6Very high95.8Very high67 Ų6751.3 Ų51.329%0.29427%0.269SS..THydrogen-bonded Turntrans-63132.5168.2-75.8-82.6000110.6P115 D117 M258 K260 L269P115-F267 HydrophobicContact CB-CE1 4.21Å; P115-F267 HydrophobicContact CB-CE2 3.93Å; P115-F267 HydrophobicContact CB-CZ 3.75Å; P115-F267 HydrophobicContact CG-CE1 4.39Å; P115-F267 HydrophobicContact CG-CZ 4.41Å; D117-F267 HydrophobicContact CB-CD2 4.43Å; D117-F267 HydrophobicContact CB-CE2 4.06Å; M258-F267 HydrophobicContact CB-CE1 4.42Å; K260-F267 HydrophobicContact CD-CD1 4.41Å; K260-F267 HydrophobicContact CD-CD2 3.84Å; K260-F267 HydrophobicContact CD-CE1 4.41Å; K260-F267 HydrophobicContact CD-CE2 3.82Å; K260-F267 HydrophobicContact CD-CG 4.15Å; K260-F267 HydrophobicContact CD-CZ 4.12Å; K260-F267 VanDerWaalsContact CE-CE2 3.4Å; K260-F267 HydrophobicContact CG-CD1 3.73Å; K260-F267 HydrophobicContact CG-CD2 4.07Å; K260-F267 HydrophobicContact CG-CE1 3.67Å; K260-F267 HydrophobicContact CG-CE2 3.99Å; K260-F267 HydrophobicContact CG-CG 3.94Å; K260-F267 HydrophobicContact CG-CZ 3.8Å; F267-L269 PolarHBondContact O-N 2.76Å
268G92.9Very high96Very high63 Ų6350.6 Ų50.665%0.64928%0.276SS*.THydrogen-bonded Turntrans75-3.4175.300000116.5F266F266-G268 PolarHBondContact O-N 2.98Å
269L95.8Very high96.1Very high33 Ų3351.2 Ų51.217%0.17328%0.277CS..BIsolated β-bridgetrans-119.6121.8174.5-59.8173000110.2F194 I200 Q264 F266 F267 W273 V275 I282F194-L269 HydrophobicContact CZ-CD1 4.15Å; I200-L269 HydrophobicContact CD1-CB 3.76Å; I200-L269 HydrophobicContact CD1-CD1 4.1Å; I200-L269 HydrophobicContact CD1-CG 4.47Å; Q264-L269 WeakPolarHBondContact CG-O 3.42Å; Q264-L269 PolarHBondContact NE2-O 3.32Å; F266-L269 HydrophobicContact CB-CB 4.17Å; F266-L269 HydrophobicContact CB-CD1 4.31Å; F266-L269 HydrophobicContact CD2-CD1 4.47Å; F267-L269 PolarHBondContact O-N 2.76Å; L269-W273 HydrophobicContact CD2-CE3 3.92Å; L269-W273 HydrophobicContact CD2-CZ3 4.1Å; L269-V275 HydrophobicContact CD1-CG2 4.32Å; L269-I282 HydrophobicContact CD2-CD1 3.66Å
270S95.8Very high96.2Very high41 Ų4155.9 Ų55.929%0.28730%0.3SS..  trans-84.7153.9179.4-57.10000111.7W273S270-W273 PolarHBondContact O-N 2.72Å
271P97.5Very high96.3Very high16 Ų1660.8 Ų60.810%0.10432%0.322CS..THydrogen-bonded Turntrans-60.8149.9172.428-35.3000111.3I200 K202 W273 Y294I200-P271 CarbonylContact O-C 3.55Å; I200-P271 WeakPolarHBondContact O-CA 3.3Å; K202-P271 HydrophobicContact CB-CB 3.84Å; K202-P271 HydrophobicContact CB-CG 4.2Å; P271-W273 VanDerWaalsContact C-N 3.29Å; P271-W273 PolarHBondContact O-N 3.32Å; P271-Y294 HydrophobicContact CB-CD1 4.05Å
272G96.6Very high96.4Very high5 Ų559.3 Ų59.35%0.05231%0.313CS..THydrogen-bonded Turntrans87.1-15.4-176.800000114.9I200I200-G272 PolarHBondContact O-N 3.26Å
273W97.6Very high96.5Very high47 Ų4761.7 Ų61.718%0.17832%0.323CS..  trans-73.4145.1176.1-65.211000111P199 I200 L269 S270 P271 I282 L283 K284P199-W273 WeakPolarHBondContact CA-O 3.33Å; I200-W273 HydrophobicContact CD1-CB 4.42Å; I200-W273 WeakPolarHBondContact CG1-O 3.21Å; I200-W273 PolarHBondContact N-O 2.73Å; L269-W273 HydrophobicContact CD2-CE3 3.92Å; L269-W273 HydrophobicContact CD2-CZ3 4.1Å; S270-W273 PolarHBondContact O-N 2.72Å; P271-W273 VanDerWaalsContact C-N 3.29Å; P271-W273 PolarHBondContact O-N 3.32Å; W273-I282 HydrophobicContact CB-CG2 3.96Å; W273-I282 HydrophobicContact CD2-CG2 3.96Å; W273-I282 HydrophobicContact CE3-CD1 4.43Å; W273-I282 HydrophobicContact CE3-CG2 3.57Å; W273-I282 HydrophobicContact CG-CG2 4.17Å; W273-I282 HydrophobicContact CZ3-CD1 4.5Å; W273-I282 HydrophobicContact CZ3-CG2 4.36Å; W273-L283 WeakPolarHBondContact CA-O 3.41Å; W273-K284 HydrophobicContact CD2-CG 4.14Å; W273-K284 HydrophobicContact CG-CG 4.26Å; W273-K284 HydrophobicContact CZ2-CD 3.92Å; W273-K284 VanDerWaalsContact CZ2-CE 3.43Å; W273-K284 HydrophobicContact CZ2-CG 4.4Å
274V97.8Very high96.5Very high39 Ų3965 Ų6524%0.23634%0.338CS..EExtended strand (participates in β ladder)trans-111.9121.4174.1-177.50000108.5P199 L283P199-V274 HydrophobicContact CB-CG2 3.85Å; V274-L283 HydrophobicContact CB-CB 4.28Å; V274-L283 PolarHBondContact N-O 3.07Å; V274-L283 PolarHBondContact O-N 3.38Å
275V97.8Very high96.6Very high23 Ų2365.3 Ų65.314%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-91.8117.3179.5-179.40000109.1F194 I200 L269 M277F194-V275 HydrophobicContact CD1-CB 3.75Å; F194-V275 HydrophobicContact CD1-CG1 4.47Å; F194-V275 HydrophobicContact CD1-CG2 3.92Å; F194-V275 HydrophobicContact CE1-CB 4.08Å; F194-V275 HydrophobicContact CE1-CG2 3.7Å; F194-V275 HydrophobicContact CG-CB 4.13Å; F194-V275 HydrophobicContact CG-CG1 4.39Å; F194-V275 HydrophobicContact CZ-CG2 4.21Å; I200-V275 HydrophobicContact CD1-CG2 4.26Å; L269-V275 HydrophobicContact CD1-CG2 4.32Å; V275-M277 HydrophobicContact CG1-SD 3.96Å
276N97.3Very high96.6Very high45 Ų4571.3 Ų71.324%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-94.7107172-174.9-13.2000109.8T278 E279 K280 K281N276-T278 PolarHBondContact OD1-N 3.28Å; N276-T278 PolarHBondContact OD1-OG1 2.92Å; N276-E279 PolarHBondContact OD1-N 3.34Å; N276-K280 VanDerWaalsContact O-CA 3.31Å; N276-K280 WeakPolarHBondContact O-CA 3.25Å; N276-K280 PolarHBondContact O-N 3.27Å; N276-K281 PolarHBondContact N-O 2.96Å; N276-K281 PolarHBondContact O-N 2.81Å
277M95.4Very high96.7Very high91 Ų9174.2 Ų74.245%0.44840%0.396SS..THydrogen-bonded Turntrans-71.6-29.8-178.3-65.3-64.1-67.200113.5F194 V275F194-M277 HydrophobicContact CB-CG 3.98Å; F194-M277 HydrophobicContact CB-SD 4.28Å; F194-M277 HydrophobicContact CD2-SD 4.39Å; V275-M277 HydrophobicContact CG1-SD 3.96Å
278T95.5Very high96.8Very high125 Ų12576.4 Ų76.477%0.76741%0.411SS*.THydrogen-bonded Turntrans-74.7-44.4-176.857.90000111N276N276-T278 PolarHBondContact OD1-N 3.28Å; N276-T278 PolarHBondContact OD1-OG1 2.92Å
279E96.8Very high97Very high110 Ų11081.2 Ų81.251%0.51441%0.413SS..THydrogen-bonded Turntrans-90.2-6.6179.7-65.5-175.5-153.400113.8N276 K281N276-E279 PolarHBondContact OD1-N 3.34Å; E279-K281 HydrophobicContact CB-CB 4.43Å; E279-K281 HydrophobicContact CB-CD 4.11Å; E279-K281 HydrophobicContact CB-CG 4.11Å; E279-K281 PolarHBondContact O-N 2.63Å; E279-K281 WeakPolarHBondContact OE2-CD 3.28Å; E279-K281 WeakPolarHBondContact OE2-CE 3.31Å; E279-K281 IonicContact OE2-NZ 3.67Å; E279-K281 PolarHBondContact OE2-NZ 3.11Å
280K96.8Very high97Very high194 Ų19483.3 Ų83.384%0.84342%0.424SS*.THydrogen-bonded Turntrans54.139.7-173-56.3179.6179.6178.10112.6N276N276-K280 VanDerWaalsContact O-CA 3.31Å; N276-K280 WeakPolarHBondContact O-CA 3.25Å; N276-K280 PolarHBondContact O-N 3.27Å
281K97.4Very high97Very high117 Ų11784.3 Ų84.351%0.50943%0.426SS..EExtended strand (participates in β ladder)trans-115.8154.5179.7-67.8178-167.8159.10111N276 E279N276-K281 PolarHBondContact N-O 2.96Å; N276-K281 PolarHBondContact O-N 2.81Å; E279-K281 HydrophobicContact CB-CB 4.43Å; E279-K281 HydrophobicContact CB-CD 4.11Å; E279-K281 HydrophobicContact CB-CG 4.11Å; E279-K281 PolarHBondContact O-N 2.63Å; E279-K281 WeakPolarHBondContact OE2-CD 3.28Å; E279-K281 WeakPolarHBondContact OE2-CE 3.31Å; E279-K281 IonicContact OE2-NZ 3.67Å; E279-K281 PolarHBondContact OE2-NZ 3.11Å
282I97.9Very high97Very high76 Ų7690.3 Ų90.339%0.3945%0.453SS..EExtended strand (participates in β ladder)trans-115.8124.4173.7-59.6173.3000107.9L269 W273L269-I282 HydrophobicContact CD2-CD1 3.66Å; W273-I282 HydrophobicContact CB-CG2 3.96Å; W273-I282 HydrophobicContact CD2-CG2 3.96Å; W273-I282 HydrophobicContact CE3-CD1 4.43Å; W273-I282 HydrophobicContact CE3-CG2 3.57Å; W273-I282 HydrophobicContact CG-CG2 4.17Å; W273-I282 HydrophobicContact CZ3-CD1 4.5Å; W273-I282 HydrophobicContact CZ3-CG2 4.36Å
283L97.5Very high96.9Very high102 Ų10296.2 Ų96.253%0.53447%0.474SS..EExtended strand (participates in β ladder)trans-94.6127.5174.3-53.1177.1000108.7W273 V274W273-L283 WeakPolarHBondContact CA-O 3.41Å; V274-L283 HydrophobicContact CB-CB 4.28Å; V274-L283 PolarHBondContact N-O 3.07Å; V274-L283 PolarHBondContact O-N 3.38Å
284K97.4Very high96.8Very high131 Ų13195.8 Ų95.857%0.5747%0.473SS*.  trans-107.2137.7178.7-59.8-174.9-177.7-178.70109.4W273W273-K284 HydrophobicContact CD2-CG 4.14Å; W273-K284 HydrophobicContact CG-CG 4.26Å; W273-K284 HydrophobicContact CZ2-CD 3.92Å; W273-K284 VanDerWaalsContact CZ2-CE 3.43Å; W273-K284 HydrophobicContact CZ2-CG 4.4Å
285P96.8Very high96.6Very high28 Ų2899.8 Ų99.818%0.18249%0.493CS..  trans-68140.3175.528.8-33000110.3L290 L291P285-L290 HydrophobicContact CB-CB 4.17Å; P285-L290 HydrophobicContact CB-CD1 4.3Å; P285-L291 HydrophobicContact CG-CD2 4.19Å; P285-L291 WeakPolarHBondContact O-CD2 3.27Å
286T97.3Very high96.1Very high127 Ų127102.9 Ų102.978%0.77952%0.516SS*.  trans-111.7-1817854.70000113.3D288T286-D288 PolarHBondContact O-N 3.49Å
287D97.8Very high96Very high79 Ų79105.8 Ų105.842%0.42253%0.53SS..  trans-67.2125.9178.1179.215.1000110.3K289 L290 L291D287-K289 PolarHBondContact O-N 2.91Å; D287-K289 PolarHBondContact OD1-N 3.33Å; D287-L290 HydrophobicContact CB-CB 4.3Å; D287-L290 HydrophobicContact CB-CD1 4.12Å; D287-L290 HydrophobicContact CB-CG 4.13Å; D287-L290 PolarHBondContact O-N 3.21Å; D287-L291 WeakPolarHBondContact O-CG 3.46Å; D287-L291 PolarHBondContact O-N 3.02Å
288D97.1Very high96.1Very high113 Ų113106.6 Ų106.660%0.60453%0.534SS*.Hα-helixtrans-55.8-37-178.5-67.8-27.1000111.9T286 L291 Q292T286-D288 PolarHBondContact O-N 3.49Å; D288-L291 PolarHBondContact O-N 2.93Å; D288-Q292 WeakPolarHBondContact O-CB 3.29Å; D288-Q292 VanDerWaalsContact O-CG 3.28Å; D288-Q292 WeakPolarHBondContact O-CG 3.44Å; D288-Q292 PolarHBondContact O-N 3.13Å
289K97.1Very high96.1Very high163 Ų163105.6 Ų105.671%0.70952%0.521SS*.Hα-helixtrans-64.8-41.2177.8-68.3-179.2-179.1175.20111.9D287 Y293D287-K289 PolarHBondContact O-N 2.91Å; D287-K289 PolarHBondContact OD1-N 3.33Å; K289-Y293 WeakPolarHBondContact O-CB 3.31Å; K289-Y293 PolarHBondContact O-N 2.89Å
290L96.3Very high96.1Very high77 Ų77105.3 Ų105.340%0.40352%0.522SS..Hα-helixtrans-70.3-40.8177.3-67.5-179.8000111.1P285 D287 Y293 Y294P285-L290 HydrophobicContact CB-CB 4.17Å; P285-L290 HydrophobicContact CB-CD1 4.3Å; D287-L290 HydrophobicContact CB-CB 4.3Å; D287-L290 HydrophobicContact CB-CD1 4.12Å; D287-L290 HydrophobicContact CB-CG 4.13Å; D287-L290 PolarHBondContact O-N 3.21Å; L290-Y293 PolarHBondContact O-N 3.16Å; L290-Y294 HydrophobicContact CB-CD2 4.49Å; L290-Y294 WeakPolarHBondContact O-CD2 3.39Å; L290-Y294 PolarHBondContact O-N 3.37Å
291L96Very high96Very high62 Ų6299.8 Ų99.833%0.32550%0.502SS..Hα-helixtrans-60.1-46.5175.8-71.7171.9000111.3P285 D287 D288 Y293 Y294 N295P285-L291 HydrophobicContact CG-CD2 4.19Å; P285-L291 WeakPolarHBondContact O-CD2 3.27Å; D287-L291 WeakPolarHBondContact O-CG 3.46Å; D287-L291 PolarHBondContact O-N 3.02Å; D288-L291 PolarHBondContact O-N 2.93Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 2.75Å; L291-Y294 PolarHBondContact O-N 2.97Å; L291-N295 VanDerWaalsContact O-CB 3.25Å; L291-N295 WeakPolarHBondContact O-CB 3.48Å; L291-N295 VanDerWaalsContact O-CG 3.23Å; L291-N295 PolarHBondContact O-N 3.5Å; L291-N295 PolarHBondContact O-ND2 3.49Å
292Q96.2Very high95.9Very high143 Ų14398.6 Ų98.667%0.66850%0.501SS*.Hα-helixtrans-61.1-40174.1-72.3175.98.900112.2D288 S296D288-Q292 WeakPolarHBondContact O-CB 3.29Å; D288-Q292 VanDerWaalsContact O-CG 3.28Å; D288-Q292 WeakPolarHBondContact O-CG 3.44Å; D288-Q292 PolarHBondContact O-N 3.13Å; Q292-S296 WeakPolarHBondContact O-CB 3.19Å; Q292-S296 PolarHBondContact O-N 3.39Å; Q292-S296 PolarHBondContact O-OG 3.44Å
293Y96.3Very high95.8Very high128 Ų128100.2 Ų100.250%0.50251%0.509SS..Hα-helixtrans-65.6-42.9177.9175.4-97.7000113K202 K289 L290 L291 S296K202-Y293 WeakPolarHBondContact CE-O 3.15Å; K202-Y293 PolarHBondContact NZ-O 3.49Å; K289-Y293 WeakPolarHBondContact O-CB 3.31Å; K289-Y293 PolarHBondContact O-N 2.89Å; L290-Y293 PolarHBondContact O-N 3.16Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 2.75Å; Y293-S296 PolarHBondContact O-OG 3.36Å
294Y95.1Very high95.7Very high38 Ų38100.1 Ų100.115%0.14951%0.507CS..Hα-helixtrans-82-24.5-176.9-75.1-67.5000113.9P271 L290 L291P271-Y294 HydrophobicContact CB-CD1 4.05Å; L290-Y294 HydrophobicContact CB-CD2 4.49Å; L290-Y294 WeakPolarHBondContact O-CD2 3.39Å; L290-Y294 PolarHBondContact O-N 3.37Å; L291-Y294 PolarHBondContact O-N 2.97Å
295N91.9Very high95.5Very high123 Ų12397.5 Ų97.566%0.65850%0.502SS*.Hα-helixtrans-88.1-6.2179.3-66.5-21000114.3L291L291-N295 VanDerWaalsContact O-CB 3.25Å; L291-N295 WeakPolarHBondContact O-CB 3.48Å; L291-N295 VanDerWaalsContact O-CG 3.23Å; L291-N295 PolarHBondContact O-N 3.5Å; L291-N295 PolarHBondContact O-ND2 3.49Å
296S88.1Confident95.4Very high89 Ų89103.8 Ų103.862%0.62253%0.531SS*.  trans-89.5017745.50000114.7K202 Q292 Y293K202-S296 WeakPolarHBondContact CD-O 3.32Å; K202-S296 PolarHBondContact NZ-O 3.07Å; K202-S296 PolarHBondContact NZ-OG 3.18Å; Q292-S296 WeakPolarHBondContact O-CB 3.19Å; Q292-S296 PolarHBondContact O-N 3.39Å; Q292-S296 PolarHBondContact O-OG 3.44Å; Y293-S296 PolarHBondContact O-OG 3.36Å

Retrieved 296 of 296 residues in 535.5 ms (Link to these results)