A0A096LRS7_POEFO Loading...

LSM11, U7 small nuclear RNA associated

AlphaFold DB , UniProt , Accession A0A096LRS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 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
1M37Very low38.9Very low246 Ų246173.5 Ų173.5100%1.21284%0.838SS**  0115.40-64.4180-159.100105.7
2E44.5Very low38.2Very low188 Ų188170.9 Ų170.988%0.87983%0.831SS**  cis-159.9132.37.8-176.8172.4119.300104.4
3E33.5Very low38Very low167 Ų167165.8 Ų165.878%0.7882%0.824SS**  trans-88.1137.4-176.9-164.9178.5-17500108.5
4R41.2Very low37.6Very low193 Ų193169.1 Ų169.173%0.72883%0.831SS**  trans-138.885.6168.5-157175.5-159.4-147.99.3112.6
5E42.4Very low37.2Very low145 Ų145170.1 Ų170.168%0.67883%0.832SS**  trans-61.2145.4153.8-62.6-173.1118.100110.8
6R42.8Very low36.7Very low205 Ų205166.1 Ų166.177%0.77483%0.826SS**  trans-123.5105.4160.2-84.7-177.5169.9-171.3-7.3109.6
7K37.7Very low36.6Very low184 Ų184160.8 Ų160.880%0.882%0.815SS**  trans-64.6145.7174.6-110.9158.2175159.20112.6
8S36.2Very low36.3Very low117 Ų117162.9 Ų162.982%0.81882%0.818SS**  trans-67.1147.616243.20000112.1
9A34.5Very low36.5Very low100 Ų100158.3 Ų158.383%0.82682%0.816SS**  trans-153.1121162.400000111.1
10R37.9Very low36.6Very low235 Ų235156.9 Ų156.989%0.88782%0.818SS**  trans-84.6162.5150.4-67.1-178.5175-172.7-1.8108
11P40.6Very low36.6Very low128 Ų128157.5 Ų157.583%0.83182%0.816SS**  -146173113.933.2-14.5000115.7
12D30.6Very low36.6Very low143 Ų143152.2 Ų152.277%0.76579%0.792SS**  trans-76.7158.3-164.1-74.4-67.3000118.3
13S35.6Very low36.8Very low105 Ų105148.8 Ų148.873%0.73478%0.784SS**  trans29.5121.3139.472.20000120.8
14K32.3Very low37.2Very low212 Ų212146 Ų14692%0.92278%0.781SS**  trans-134123.7139.6-87.9-175.4178.7175.90110.6
15H30.9Very low37.6Very low183 Ų183145.7 Ų145.785%0.84779%0.787SS**  trans-80.3127.6174.2-156.2-83.3000108.2
16S29.7Very low37.4Very low106 Ų106141.6 Ų141.674%0.74178%0.778SS**  trans-141.8104.5161.6580000108.5
17A35Very low37.6Very low76 Ų76139.3 Ų139.363%0.62878%0.781SS**  trans-70.6125171.400000109.3
18F30.1Very low37.9Very low199 Ų199134.5 Ų134.587%0.87377%0.768SS**  trans-145.9106.1152.8-81.2-78.9000106
19G41.4Very low38.7Very low76 Ų76131.5 Ų131.578%0.78476%0.755SS**  trans-72.3162.7171.100000110.7
20P37Very low39.6Very low130 Ų130132.1 Ų132.184%0.84475%0.745SS**  trans-113.1117.6147.813.26.5000108.9
21E37.7Very low40.6Very low169 Ų169125.4 Ų125.479%0.7973%0.726SS**  trans-62.4159.1156-140.2-169.9146.200109.9
22L37.1Very low41.7Very low136 Ų136125 Ų12571%0.71271%0.713SS**  trans8695.3156.3-64.7150.3000117.9
23V48.6Very low43.3Very low115 Ų115120.7 Ų120.770%0.69770%0.697SS**  trans-31.8133.8142.3-144.90000111.9E25V23-E25 HydrophobicContact CG1-CG 4.44Å
24P42.6Very low44.8Very low110 Ų110119.3 Ų119.371%0.71468%0.682SS**  trans-109.6110.2140.47.812.3000107.6A26P24-A26 VanDerWaalsContact C-N 3.32Å; P24-A26 PolarHBondContact O-N 3.09Å
25E48.2Very low47Very low185 Ų185112.8 Ų112.886%0.86466%0.655SS**  trans-53.7100.1154.7-63.7-83.7131.700107.3V23V23-E25 HydrophobicContact CG1-CG 4.44Å
26A39.2Very low49.1Very low59 Ų59106.1 Ų106.149%0.48863%0.625SS.*  trans-137.799.4174.600000106.8P24 T28P24-A26 VanDerWaalsContact C-N 3.32Å; P24-A26 PolarHBondContact O-N 3.09Å; A26-T28 WeakPolarHBondContact O-CB 3.39Å; A26-T28 VanDerWaalsContact O-CG2 3.3Å; A26-T28 WeakPolarHBondContact O-CG2 3.06Å; A26-T28 PolarHBondContact O-N 3.14Å; A26-T28 PolarHBondContact O-OG1 2.85Å
27D46.6Very low51.4Low157 Ų157103.6 Ų103.684%0.8460%0.603SS**  trans25.551.2140.1-146.538000117.3
28T44.9Very low53.5Low84 Ų84103.2 Ų103.252%0.51559%0.593SS.*  trans-98.911.3-172.832.20000114A26 D30A26-T28 WeakPolarHBondContact O-CB 3.39Å; A26-T28 VanDerWaalsContact O-CG2 3.3Å; A26-T28 WeakPolarHBondContact O-CG2 3.06Å; A26-T28 PolarHBondContact O-N 3.14Å; A26-T28 PolarHBondContact O-OG1 2.85Å; T28-D30 PolarHBondContact O-N 3.22Å; T28-D30 VanDerWaalsContact O-N 3.13Å
29G51.7Low55.6Low54 Ų5498.2 Ų98.256%0.55758%0.582SS**Hα-helixtrans-62.1-23.8-176.400000114.1A33G29-A33 WeakPolarHBondContact O-CB 3.12Å
30D54.5Low57.5Low113 Ų11396.1 Ų96.160%0.60456%0.555SS**Hα-helixtrans-94.3-31.5-170.4-52.1-37.4000113.1T28 N34T28-D30 PolarHBondContact O-N 3.22Å; T28-D30 VanDerWaalsContact O-N 3.13Å; D30-N34 PolarHBondContact O-N 2.93Å; D30-N34 PolarHBondContact O-ND2 3.27Å
31D59.3Low59.5Low93 Ų9399.7 Ų99.750%0.49756%0.56SS.*Hα-helixtrans-79.4-42.9-179.2-77.4-51.8000111.6A33 N34 E35D31-A33 VanDerWaalsContact C-N 3.25Å; D31-A33 PolarHBondContact O-N 3.09Å; D31-N34 PolarHBondContact O-N 3.35Å; D31-N34 VanDerWaalsContact O-N 3.08Å; D31-E35 WeakPolarHBondContact O-CG 3.1Å; D31-E35 PolarHBondContact O-N 2.91Å
32E62Low61.7Low119 Ų11998.7 Ų98.756%0.55655%0.553SS**Hα-helixtrans-62.9-34.4175-66.1-167.9108.400111.6N34 E35 L36E32-N34 VanDerWaalsContact C-N 3.3Å; E32-N34 PolarHBondContact O-N 3.17Å; E32-E35 PolarHBondContact O-N 3.36Å; E32-L36 WeakPolarHBondContact O-CB 3.2Å; E32-L36 VanDerWaalsContact O-CG 3.25Å; E32-L36 WeakPolarHBondContact O-CG 3.32Å; E32-L36 PolarHBondContact O-N 3.36Å
33A65Low64.1Low53 Ų5395.4 Ų95.444%0.43853%0.534SS..Hα-helixtrans-65.6-33.9175.500000112.4G29 D31 N37G29-A33 WeakPolarHBondContact O-CB 3.12Å; D31-A33 VanDerWaalsContact C-N 3.25Å; D31-A33 PolarHBondContact O-N 3.09Å; A33-N37 VanDerWaalsContact O-CB 3.3Å; A33-N37 WeakPolarHBondContact O-CB 3.48Å; A33-N37 PolarHBondContact O-N 2.88Å
34N68Low65.8Low77 Ų7792.7 Ų92.741%0.41252%0.515SS..Hα-helixtrans-79-28.4177-77.2-43.9000112.9D30 D31 E32 S40D30-N34 PolarHBondContact O-N 2.93Å; D30-N34 PolarHBondContact O-ND2 3.27Å; D31-N34 PolarHBondContact O-N 3.35Å; D31-N34 VanDerWaalsContact O-N 3.08Å; E32-N34 VanDerWaalsContact C-N 3.3Å; E32-N34 PolarHBondContact O-N 3.17Å; N34-S40 WeakPolarHBondContact O-CB 3.39Å; N34-S40 PolarHBondContact O-OG 2.92Å
35E77.5Confident67.7Low74 Ų7491.4 Ų91.435%0.34651%0.507SS..Hα-helixtrans-76.4-29.8175.1-69.8-179.3168.700112.5D31 E32 F43 D44D31-E35 WeakPolarHBondContact O-CG 3.1Å; D31-E35 PolarHBondContact O-N 2.91Å; E32-E35 PolarHBondContact O-N 3.36Å; E35-F43 WeakPolarHBondContact O-CA 3.39Å; E35-F43 VanDerWaalsContact O-CD2 3.29Å; E35-F43 WeakPolarHBondContact O-CD2 3.48Å; E35-D44 PolarHBondContact O-N 3.19Å
36L75.4Confident69.3Low44 Ų4487.9 Ų87.923%0.2349%0.494CS..Hα-helixtrans-85.9-13.1176.3-66.4173.4000113.7E32 V38 L47 A48 P55E32-L36 WeakPolarHBondContact O-CB 3.2Å; E32-L36 VanDerWaalsContact O-CG 3.25Å; E32-L36 WeakPolarHBondContact O-CG 3.32Å; E32-L36 PolarHBondContact O-N 3.36Å; L36-V38 PolarHBondContact O-N 3.32Å; L36-L47 HydrophobicContact CD2-CB 4.5Å; L36-A48 HydrophobicContact CD2-CB 4.26Å; L36-P55 HydrophobicContact CB-CB 4.39Å; L36-P55 WeakPolarHBondContact O-CB 3.45Å
37N77.5Confident71.4Confident52 Ų5289.1 Ų89.128%0.27849%0.491SS..  trans-84117.1-176.9-171-13.1000111.7A33 C39 S40 F43A33-N37 VanDerWaalsContact O-CB 3.3Å; A33-N37 WeakPolarHBondContact O-CB 3.48Å; A33-N37 PolarHBondContact O-N 2.88Å; N37-C39 PolarHBondContact O-N 3.18Å; N37-C39 PolarHBondContact OD1-N 2.67Å; N37-C39 VanDerWaalsContact OD1-N 3.14Å; N37-S40 WeakPolarHBondContact O-CB 3.48Å; N37-S40 PolarHBondContact O-N 3.43Å; N37-F43 VanDerWaalsContact C-CD2 3.49Å; N37-F43 VanDerWaalsContact O-CD2 3.32Å; N37-F43 WeakPolarHBondContact O-CD2 3.27Å
38V80Confident73.2Confident68 Ų6882.3 Ų82.341%0.41246%0.457SS..THydrogen-bonded Turntrans-58.5-21.9-178.1-175.20000113L36 F43 L57L36-V38 PolarHBondContact O-N 3.32Å; V38-F43 HydrophobicContact CG2-CE2 3.98Å; V38-F43 HydrophobicContact CG2-CZ 4.22Å; V38-L57 HydrophobicContact CG2-CD2 4.49Å
39C73.6Confident74.9Confident94 Ų9484.4 Ų84.464%0.63547%0.465SS*.THydrogen-bonded Turntrans-95.72.2-180-64.50000114.6N37N37-C39 PolarHBondContact O-N 3.18Å; N37-C39 PolarHBondContact OD1-N 2.67Å; N37-C39 VanDerWaalsContact OD1-N 3.14Å
40S80.6Confident76.5Confident33 Ų3390.7 Ų90.723%0.23147%0.473CS..SBendtrans-89.6149.1179.9178.30000112N34 N37 K42 F43N34-S40 WeakPolarHBondContact O-CB 3.39Å; N34-S40 PolarHBondContact O-OG 2.92Å; N37-S40 WeakPolarHBondContact O-CB 3.48Å; N37-S40 PolarHBondContact O-N 3.43Å; S40-K42 PolarHBondContact O-N 2.82Å; S40-K42 PolarHBondContact OG-N 3.33Å; S40-F43 PolarHBondContact O-N 3.35Å
41E80.2Confident77.8Confident204 Ų20486.6 Ų86.695%0.95345%0.453SS*.THydrogen-bonded Turntrans-68.3-19175.5-65.4-179.1176.900113
42K84.1Confident78.6Confident148 Ų14889.1 Ų89.164%0.64348%0.475SS*.THydrogen-bonded Turntrans-103.521.9-179.3-61.1-178.1-177.9177.70113.3S40 D44S40-K42 PolarHBondContact O-N 2.82Å; S40-K42 PolarHBondContact OG-N 3.33Å; K42-D44 PolarHBondContact O-N 3.44Å
43F85.8Confident79.1Confident68 Ų6886.7 Ų86.730%0.29848%0.475SS..  trans-63.7123.9-177.7177.4-106000112.4E35 N37 V38 S40 P45 A48E35-F43 WeakPolarHBondContact O-CA 3.39Å; E35-F43 VanDerWaalsContact O-CD2 3.29Å; E35-F43 WeakPolarHBondContact O-CD2 3.48Å; N37-F43 VanDerWaalsContact C-CD2 3.49Å; N37-F43 VanDerWaalsContact O-CD2 3.32Å; N37-F43 WeakPolarHBondContact O-CD2 3.27Å; V38-F43 HydrophobicContact CG2-CE2 3.98Å; V38-F43 HydrophobicContact CG2-CZ 4.22Å; S40-F43 PolarHBondContact O-N 3.35Å; F43-P45 HydrophobicContact CE1-CB 4.09Å; F43-A48 HydrophobicContact CE2-CB 3.75Å; F43-A48 HydrophobicContact CZ-CB 3.72Å
44D84.3Confident79.3Confident57 Ų5788.7 Ų88.731%0.30549%0.491SS..  trans-103111.3174-172-15.2000111E35 K42 L46 L47 A48E35-D44 PolarHBondContact O-N 3.19Å; K42-D44 PolarHBondContact O-N 3.44Å; D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 3.14Å; D44-L46 PolarHBondContact OD1-N 2.92Å; D44-L47 HydrophobicContact CB-CB 4.15Å; D44-L47 HydrophobicContact CB-CD1 4Å; D44-L47 HydrophobicContact CB-CG 4.2Å; D44-A48 WeakPolarHBondContact O-CB 3.2Å; D44-A48 PolarHBondContact O-N 3.46Å; D44-A48 VanDerWaalsContact O-N 3.14Å
45P83.9Confident79.4Confident84 Ų8486.3 Ų86.355%0.54548%0.48SS..Hα-helixtrans-67.2-25.1-17928.5-35.6000113.7F43 L49F43-P45 HydrophobicContact CE1-CB 4.09Å; P45-L49 WeakPolarHBondContact O-CB 3.1Å; P45-L49 PolarHBondContact O-N 2.89Å
46L82Confident79Confident111 Ų11187 Ų8758%0.58149%0.491SS*.Hα-helixtrans-76.5-45.7-179.7-69.9173.4000110.5D44 A48 L49 Y50D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 3.14Å; D44-L46 PolarHBondContact OD1-N 2.92Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 2.7Å; L46-L49 PolarHBondContact O-N 2.78Å; L46-Y50 VanDerWaalsContact O-CD2 3.23Å; L46-Y50 WeakPolarHBondContact O-CD2 3.47Å; L46-Y50 PolarHBondContact O-N 3.08Å; L46-Y50 VanDerWaalsContact O-N 3.16Å
47L82.6Confident78.9Confident84 Ų8489.9 Ų89.944%0.4451%0.506SS..Hα-helixtrans-61-41.6174.9-70175.5000111.4L36 D44 L49 Y50 S51L36-L47 HydrophobicContact CD2-CB 4.5Å; D44-L47 HydrophobicContact CB-CB 4.15Å; D44-L47 HydrophobicContact CB-CD1 4Å; D44-L47 HydrophobicContact CB-CG 4.2Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.83Å; L47-Y50 PolarHBondContact O-N 3.1Å; L47-S51 VanDerWaalsContact O-CB 3.3Å; L47-S51 WeakPolarHBondContact O-CB 3.48Å; L47-S51 PolarHBondContact O-N 3.24Å
48A83.3Confident78.5Confident15 Ų1590.1 Ų90.112%0.12451%0.511CS..Hα-helixtrans-65.9-25.1176.700000114.6L36 F43 D44 L46 S51 P55L36-A48 HydrophobicContact CD2-CB 4.26Å; F43-A48 HydrophobicContact CE2-CB 3.75Å; F43-A48 HydrophobicContact CZ-CB 3.72Å; D44-A48 WeakPolarHBondContact O-CB 3.2Å; D44-A48 PolarHBondContact O-N 3.46Å; D44-A48 VanDerWaalsContact O-N 3.14Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 2.7Å; A48-S51 PolarHBondContact O-OG 2.96Å; A48-P55 HydrophobicContact CB-CG 4.31Å
49L82.3Confident78.2Confident128 Ų12893.7 Ų93.767%0.6752%0.521SS*.Hα-helixtrans-82.5-35.1177.7-176.366.2000112.2P45 L46 L47P45-L49 WeakPolarHBondContact O-CB 3.1Å; P45-L49 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 2.78Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.83Å
50Y84Confident78Confident185 Ų18595 Ų9573%0.72553%0.528SS*.Hα-helixtrans-95.5-2-179.3-67.6-70.1000113.3L46 L47L46-Y50 VanDerWaalsContact O-CD2 3.23Å; L46-Y50 WeakPolarHBondContact O-CD2 3.47Å; L46-Y50 PolarHBondContact O-N 3.08Å; L46-Y50 VanDerWaalsContact O-N 3.16Å; L47-Y50 PolarHBondContact O-N 3.1Å
51S81.8Confident77.7Confident28 Ų28101.2 Ų101.220%0.19656%0.559CS.*  trans-66.7135.4176.764.10000111.1L47 A48 A53L47-S51 VanDerWaalsContact O-CB 3.3Å; L47-S51 WeakPolarHBondContact O-CB 3.48Å; L47-S51 PolarHBondContact O-N 3.24Å; A48-S51 PolarHBondContact O-OG 2.96Å; S51-A53 PolarHBondContact O-N 2.91Å; S51-A53 PolarHBondContact OG-O 3.08Å
52P76.7Confident77.5Confident146 Ų14697 Ų9795%0.94854%0.541SS*.SBendtrans-69.7-22.9179.525.1-31.8000112.8
53A72.9Confident77.2Confident68 Ų6895.9 Ų95.956%0.56254%0.537SS*.SBendtrans-103.8136172.100000109.8S51S51-A53 PolarHBondContact O-N 2.91Å; S51-A53 PolarHBondContact OG-O 3.08Å
54A68.3Low76.9Confident95 Ų9597.5 Ų97.579%0.78556%0.555SS**PPolyproline II helixtrans-63.3130.7173.800000109.3
55P70.1Confident76.7Confident27 Ų2797.3 Ų97.318%0.17555%0.552CS.*PPolyproline II helixtrans-58.9147179.622.4-32.6000110.9L36 A48 L57L36-P55 HydrophobicContact CB-CB 4.39Å; L36-P55 WeakPolarHBondContact O-CB 3.45Å; A48-P55 HydrophobicContact CB-CG 4.31Å; P55-L57 PolarHBondContact O-N 3.09Å
56P69.9Low76.8Confident87 Ų87100.1 Ų100.157%0.56556%0.562SS**  trans-62.3105.5179.425.6-32.5000109.4
57L72.1Confident77Confident105 Ų105100.2 Ų100.255%0.5556%0.563SS.*  trans-70.3135.6176.1-65.2177.3000109V38 P55 F59V38-L57 HydrophobicContact CG2-CD2 4.49Å; P55-L57 PolarHBondContact O-N 3.09Å; L57-F59 PolarHBondContact O-N 3.3Å
58P70.8Confident77.1Confident58 Ų58101.1 Ų101.138%0.37757%0.572SS.*SBendtrans-61.7-20.6-17722.4-33.2000113.5
59F72.8Confident77Confident143 Ų143103.8 Ų103.863%0.62759%0.594SS**  trans-132.681.3178.6-55.7-72.3000110.7L57 N61 I62L57-F59 PolarHBondContact O-N 3.3Å; F59-N61 PolarHBondContact O-N 3.09Å; F59-I62 HydrophobicContact CB-CB 4.2Å; F59-I62 HydrophobicContact CB-CG2 4.46Å; F59-I62 WeakPolarHBondContact O-CG2 3.45Å; F59-I62 PolarHBondContact O-N 3.45Å
60P69.4Low77Confident121 Ų121101 Ų10179%0.78658%0.578SS**THydrogen-bonded Turntrans-66.8-20.8-172.725.5-34.3000113.7
61N74.4Confident76.9Confident164 Ų16497.8 Ų97.888%0.87757%0.565SS**THydrogen-bonded Turntrans-101.917.1-178.2-154.58.2000113.1F59F59-N61 PolarHBondContact O-N 3.09Å
62I77.1Confident77Confident114 Ų114100.5 Ų100.559%0.58558%0.575SS**SBendtrans-77.5137.4175.8-157.6162.1000110F59 C64F59-I62 HydrophobicContact CB-CB 4.2Å; F59-I62 HydrophobicContact CB-CG2 4.46Å; F59-I62 WeakPolarHBondContact O-CG2 3.45Å; F59-I62 PolarHBondContact O-N 3.45Å; I62-C64 PolarHBondContact O-N 3.4Å
63K77.6Confident76.8Confident126 Ų12696.4 Ų96.455%0.54855%0.549SS..  trans-70.4107.8175.2-173.3174.9178.2-173.80108.9F65K63-F65 HydrophobicContact CB-CE2 4.46Å; K63-F65 HydrophobicContact CB-CZ 4.22Å; K63-F65 HydrophobicContact CD-CE1 3.7Å; K63-F65 HydrophobicContact CD-CZ 3.88Å; K63-F65 HydrophobicContact CG-CD1 4.5Å; K63-F65 HydrophobicContact CG-CE1 4.03Å; K63-F65 HydrophobicContact CG-CZ 4.1Å; K63-F65 WeakPolarHBondContact O-CD2 3.37Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; K63-F65 PolarHBondContact O-N 2.96Å
64C78.4Confident77.1Confident102 Ų10298.1 Ų98.169%0.68954%0.544SS*.  trans-66.2124.7171.5-60.30000109.3I62I62-C64 PolarHBondContact O-N 3.4Å
65F81.3Confident77.6Confident52 Ų5298.9 Ų98.923%0.22854%0.535CS..  trans-102.4133173.4-63.7-69.1000108.3K63 N67 E70 Y71 F74K63-F65 HydrophobicContact CB-CE2 4.46Å; K63-F65 HydrophobicContact CB-CZ 4.22Å; K63-F65 HydrophobicContact CD-CE1 3.7Å; K63-F65 HydrophobicContact CD-CZ 3.88Å; K63-F65 HydrophobicContact CG-CD1 4.5Å; K63-F65 HydrophobicContact CG-CE1 4.03Å; K63-F65 HydrophobicContact CG-CZ 4.1Å; K63-F65 WeakPolarHBondContact O-CD2 3.37Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; K63-F65 PolarHBondContact O-N 2.96Å; F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 3.1Å; F65-E70 HydrophobicContact CB-CB 4.28Å; F65-E70 HydrophobicContact CD1-CB 4.07Å; F65-E70 VanDerWaalsContact CD1-CD 3.49Å; F65-E70 HydrophobicContact CD1-CG 3.59Å; F65-E70 HydrophobicContact CE1-CG 4.21Å; F65-E70 HydrophobicContact CG-CG 4.48Å; F65-Y71 AromaticContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CG 4.45Å; F65-Y71 AromaticContact CE2-CD2 3.95Å; F65-Y71 HydrophobicContact CE2-CD2 3.95Å; F65-F74 HydrophobicContact CE1-CB 4.05Å; F65-F74 HydrophobicContact CE1-CD2 4.31Å; F65-F74 HydrophobicContact CE1-CG 4.18Å; F65-F74 HydrophobicContact CE2-CB 4.45Å; F65-F74 HydrophobicContact CE2-CD1 4.18Å; F65-F74 HydrophobicContact CE2-CG 4.28Å; F65-F74 HydrophobicContact CZ-CB 3.72Å; F65-F74 AromaticContact CZ-CD1 3.8Å; F65-F74 HydrophobicContact CZ-CD1 3.8Å; F65-F74 AromaticContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CE1 4.35Å; F65-F74 HydrophobicContact CZ-CE2 4.35Å; F65-F74 AromaticContact CZ-CG 3.49Å; F65-F74 HydrophobicContact CZ-CG 3.49Å; F65-F74 VanDerWaalsContact CZ-CG 3.49Å
66N85.1Confident77.9Confident143 Ų143105.1 Ų105.177%0.76556%0.559SS**SBendtrans-73.4-27.4-178.1-69.9-26000111.8E70N66-E70 PolarHBondContact N-OE2 3.48Å
67N85.6Confident77.7Confident113 Ų113103 Ų10360%0.60455%0.554SS**SBendtrans-136.2149.3-174.4-67.3-40.4000111.7F65 A69 E70 Y71F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 3.1Å; N67-A69 PolarHBondContact O-N 3.35Å; N67-E70 WeakPolarHBondContact O-CB 3.4Å; N67-E70 PolarHBondContact O-N 3.49Å; N67-Y71 PolarHBondContact O-N 3.21Å
68V84.6Confident76.6Confident104 Ų10499.7 Ų99.763%0.6355%0.545SS*.Hα-helixtrans-57.6-35.8174.5-175.70000111.6E70 Y71 E72V68-E70 VanDerWaalsContact C-N 3.29Å; V68-E70 PolarHBondContact O-N 3.19Å; V68-Y71 WeakPolarHBondContact O-CB 3.45Å; V68-Y71 PolarHBondContact O-N 3.47Å; V68-E72 HydrophobicContact CG1-CG 4.37Å; V68-E72 WeakPolarHBondContact O-CG 3.29Å; V68-E72 PolarHBondContact O-N 2.64Å
69A82.6Confident75.8Confident71 Ų71109.8 Ų109.859%0.58758%0.575SS**Hα-helixtrans-61.2-35176.100000113.1N67 S73N67-A69 PolarHBondContact O-N 3.35Å; A69-S73 WeakPolarHBondContact O-CB 3.2Å; A69-S73 PolarHBondContact O-N 3.42Å
70E81.6Confident75Confident69 Ų69106.6 Ų106.632%0.32258%0.582SS.*Hα-helixtrans-70.9-43.1178.1-163.4-174.117000110.5F65 N66 N67 V68 S73 F74F65-E70 HydrophobicContact CB-CB 4.28Å; F65-E70 HydrophobicContact CD1-CB 4.07Å; F65-E70 VanDerWaalsContact CD1-CD 3.49Å; F65-E70 HydrophobicContact CD1-CG 3.59Å; F65-E70 HydrophobicContact CE1-CG 4.21Å; F65-E70 HydrophobicContact CG-CG 4.48Å; N66-E70 PolarHBondContact N-OE2 3.48Å; N67-E70 WeakPolarHBondContact O-CB 3.4Å; N67-E70 PolarHBondContact O-N 3.49Å; V68-E70 VanDerWaalsContact C-N 3.29Å; V68-E70 PolarHBondContact O-N 3.19Å; E70-S73 PolarHBondContact O-N 3.04Å; E70-S73 PolarHBondContact O-OG 2.8Å; E70-F74 WeakPolarHBondContact O-CB 3.41Å; E70-F74 PolarHBondContact O-N 3.18Å
71Y82.1Confident74.3Confident117 Ų117109.5 Ų109.546%0.45958%0.577SS.*Hα-helixtrans-60.2-47.4173.5175.2-110.7000112.2F65 N67 V68 S73 F74 L75F65-Y71 AromaticContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CG 4.45Å; F65-Y71 AromaticContact CE2-CD2 3.95Å; F65-Y71 HydrophobicContact CE2-CD2 3.95Å; N67-Y71 PolarHBondContact O-N 3.21Å; V68-Y71 WeakPolarHBondContact O-CB 3.45Å; V68-Y71 PolarHBondContact O-N 3.47Å; Y71-S73 VanDerWaalsContact C-N 3.29Å; Y71-S73 PolarHBondContact O-N 3.49Å; Y71-F74 WeakPolarHBondContact O-CB 3.36Å; Y71-F74 PolarHBondContact O-N 3.41Å; Y71-F74 VanDerWaalsContact O-N 3.14Å; Y71-L75 HydrophobicContact CD1-CD1 4.01Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CG 4.36Å; Y71-L75 HydrophobicContact CE2-CD1 4.03Å; Y71-L75 HydrophobicContact CE2-CG 4.23Å; Y71-L75 PolarHBondContact O-N 2.76Å
72E82.9Confident73.3Confident86 Ų86104.8 Ų104.840%0.40256%0.561SS.*Hα-helixtrans-61.6-38.9176.2-76.1-171.3-155.100112.1V68 F74 L75 K76V68-E72 HydrophobicContact CG1-CG 4.37Å; V68-E72 WeakPolarHBondContact O-CG 3.29Å; V68-E72 PolarHBondContact O-N 2.64Å; E72-F74 VanDerWaalsContact C-N 3.3Å; E72-F74 PolarHBondContact O-N 3.5Å; E72-L75 PolarHBondContact O-N 2.9Å; E72-K76 WeakPolarHBondContact O-CB 3.47Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 3.39Å; E72-K76 IonicContact OE2-NZ 2.74Å; E72-K76 PolarHBondContact OE2-NZ 2.87Å
73S74.1Confident72.6Confident59 Ų59105.7 Ų105.741%0.41356%0.561SS.*Hα-helixtrans-66.6-34176.880.20000112.3A69 E70 Y71 G77 G78A69-S73 WeakPolarHBondContact O-CB 3.2Å; A69-S73 PolarHBondContact O-N 3.42Å; E70-S73 PolarHBondContact O-N 3.04Å; E70-S73 PolarHBondContact O-OG 2.8Å; Y71-S73 VanDerWaalsContact C-N 3.29Å; Y71-S73 PolarHBondContact O-N 3.49Å; S73-G77 PolarHBondContact O-N 3.17Å; S73-G78 PolarHBondContact O-N 2.76Å
74F77.5Confident71.8Confident104 Ų104105.1 Ų105.146%0.45657%0.57SS.*Hα-helixtrans-67.9-46.6175.9179.6-99.1000111.2F65 E70 Y71 E72 G77F65-F74 HydrophobicContact CE1-CB 4.05Å; F65-F74 HydrophobicContact CE1-CD2 4.31Å; F65-F74 HydrophobicContact CE1-CG 4.18Å; F65-F74 HydrophobicContact CE2-CB 4.45Å; F65-F74 HydrophobicContact CE2-CD1 4.18Å; F65-F74 HydrophobicContact CE2-CG 4.28Å; F65-F74 HydrophobicContact CZ-CB 3.72Å; F65-F74 AromaticContact CZ-CD1 3.8Å; F65-F74 HydrophobicContact CZ-CD1 3.8Å; F65-F74 AromaticContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CE1 4.35Å; F65-F74 HydrophobicContact CZ-CE2 4.35Å; F65-F74 AromaticContact CZ-CG 3.49Å; F65-F74 HydrophobicContact CZ-CG 3.49Å; F65-F74 VanDerWaalsContact CZ-CG 3.49Å; E70-F74 WeakPolarHBondContact O-CB 3.41Å; E70-F74 PolarHBondContact O-N 3.18Å; Y71-F74 WeakPolarHBondContact O-CB 3.36Å; Y71-F74 PolarHBondContact O-N 3.41Å; Y71-F74 VanDerWaalsContact O-N 3.14Å; E72-F74 VanDerWaalsContact C-N 3.3Å; E72-F74 PolarHBondContact O-N 3.5Å; F74-G77 PolarHBondContact O-N 2.91Å
75L79.5Confident71Confident112 Ų112106 Ų10659%0.58656%0.564SS**Hα-helixtrans-64.2-45.9174.8-82.7171.7000112.7Y71 E72 G77Y71-L75 HydrophobicContact CD1-CD1 4.01Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CG 4.36Å; Y71-L75 HydrophobicContact CE2-CD1 4.03Å; Y71-L75 HydrophobicContact CE2-CG 4.23Å; Y71-L75 PolarHBondContact O-N 2.76Å; E72-L75 PolarHBondContact O-N 2.9Å; L75-G77 PolarHBondContact O-N 2.71Å; L75-G77 VanDerWaalsContact O-N 3.09Å
76K76.2Confident70.2Confident157 Ų157107.7 Ų107.768%0.68358%0.576SS**THydrogen-bonded Turntrans-733.1-178.6-69.1168.8-179.3165.60113E72 G78E72-K76 WeakPolarHBondContact O-CB 3.47Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 3.39Å; E72-K76 IonicContact OE2-NZ 2.74Å; E72-K76 PolarHBondContact OE2-NZ 2.87Å; K76-G78 VanDerWaalsContact C-N 3.27Å; K76-G78 PolarHBondContact O-N 3.3Å
77G65.2Low69.5Low44 Ų44103.6 Ų103.645%0.45456%0.556SS.*THydrogen-bonded Turntrans59.838.2178.200000112.7S73 F74 L75S73-G77 PolarHBondContact O-N 3.17Å; F74-G77 PolarHBondContact O-N 2.91Å; L75-G77 PolarHBondContact O-N 2.71Å; L75-G77 VanDerWaalsContact O-N 3.09Å
78G50.1Low68.8Low35 Ų35102.5 Ų102.536%0.36155%0.547SS..  trans-56.6146.6-168.800000114.8S73 K76 G80 R81S73-G78 PolarHBondContact O-N 2.76Å; K76-G78 VanDerWaalsContact C-N 3.27Å; K76-G78 PolarHBondContact O-N 3.3Å; G78-G80 PolarHBondContact O-N 2.8Å; G78-R81 PolarHBondContact O-N 2.95Å
79R53.8Low68.2Low270 Ų270103 Ų103100%1.01954%0.54SS*.THydrogen-bonded Turntrans-3793.1177.9-66.1178.8177-176.10.1112.5
80G55.3Low67.6Low75 Ų75109.2 Ų109.277%0.77355%0.549SS*.THydrogen-bonded Turntrans161-21.1-174.600000113.4G78 A82G78-G80 PolarHBondContact O-N 2.8Å; G80-A82 PolarHBondContact O-N 3.4Å
81R55.9Low67Low182 Ų182111.8 Ų111.869%0.68756%0.561SS**  trans-65.7103.1166.4-137.3170-174.3150.4-1.3108.6G78 K83G78-R81 PolarHBondContact O-N 2.95Å; R81-K83 PolarHBondContact O-N 3.25Å
82A53.4Low66.6Low65 Ų65114.4 Ų114.454%0.53757%0.57SS.*  trans-65.592.2165.700000106.5G80 V87G80-A82 PolarHBondContact O-N 3.4Å; A82-V87 HydrophobicContact CB-CG2 3.45Å; A82-V87 VanDerWaalsContact CB-CG2 3.45Å
83K60.9Low66Low133 Ų133117.4 Ų117.458%0.57858%0.582SS**  trans-47.5135.3165.3-69.6-172.3176.6-172.50106.5R81 E85 N86 V87R81-K83 PolarHBondContact O-N 3.25Å; K83-E85 PolarHBondContact O-N 3.31Å; K83-N86 HydrophobicContact CB-CB 4.48Å; K83-N86 WeakPolarHBondContact O-CA 3.31Å; K83-N86 WeakPolarHBondContact O-CB 3.5Å; K83-N86 PolarHBondContact O-N 3.05Å; K83-V87 PolarHBondContact O-N 2.74Å
84P60.9Low65.8Low114 Ų114118.2 Ų118.274%0.7459%0.592SS**Hα-helixtrans-52.8-35.3-177.719.2-31.1000111.4N86 V87 E88P84-N86 PolarHBondContact O-N 3.24Å; P84-V87 PolarHBondContact O-N 3.43Å; P84-E88 PolarHBondContact O-N 3.44Å
85E62.2Low65.3Low122 Ų122120.7 Ų120.757%0.5761%0.607SS**Hα-helixtrans-55.2-41.3171.2-166.2-162.8152.800114.1K83 K89K83-E85 PolarHBondContact O-N 3.31Å; E85-K89 VanDerWaalsContact O-CB 3.27Å; E85-K89 WeakPolarHBondContact O-CB 3.37Å; E85-K89 PolarHBondContact O-N 3.11Å
86N65.6Low64.6Low86 Ų86124.5 Ų124.546%0.4662%0.619SS.*Hα-helixtrans-75-29.5179-80.8-31.8000112.6K83 P84 R90K83-N86 HydrophobicContact CB-CB 4.48Å; K83-N86 WeakPolarHBondContact O-CA 3.31Å; K83-N86 WeakPolarHBondContact O-CB 3.5Å; K83-N86 PolarHBondContact O-N 3.05Å; P84-N86 PolarHBondContact O-N 3.24Å; N86-R90 WeakPolarHBondContact O-CB 3.46Å; N86-R90 PolarHBondContact O-N 3.26Å; N86-R90 VanDerWaalsContact O-N 3.14Å
87V69.4Low63.8Low58 Ų58120 Ų12035%0.35262%0.617SS.*Hα-helixtrans-68.8-48.1174.3-1780000109.6A82 K83 P84 K89 R90 Q91A82-V87 HydrophobicContact CB-CG2 3.45Å; A82-V87 VanDerWaalsContact CB-CG2 3.45Å; K83-V87 PolarHBondContact O-N 2.74Å; P84-V87 PolarHBondContact O-N 3.43Å; V87-K89 PolarHBondContact O-N 3.29Å; V87-R90 WeakPolarHBondContact O-CA 3.43Å; V87-R90 WeakPolarHBondContact O-CB 3.43Å; V87-R90 PolarHBondContact O-N 3.35Å; V87-R90 VanDerWaalsContact O-N 3.08Å; V87-Q91 HydrophobicContact CG1-CG 4.49Å; V87-Q91 WeakPolarHBondContact O-CG 3.41Å; V87-Q91 PolarHBondContact O-N 3.44Å
88E71.4Confident63.7Low90 Ų90122.9 Ų122.942%0.42163%0.625SS.*Hα-helixtrans-64.1-41.3179.7-165.3-17517100111.7P84 R90 Q91 R92P84-E88 PolarHBondContact O-N 3.44Å; E88-R90 PolarHBondContact O-N 3.37Å; E88-Q91 PolarHBondContact O-N 2.94Å; E88-R92 WeakPolarHBondContact O-CB 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.99Å; E88-R92 IonicContact OE1-CZ 3.25Å; E88-R92 VanDerWaalsContact OE1-CZ 3.25Å; E88-R92 IonicContact OE1-NE 3.14Å; E88-R92 PolarHBondContact OE1-NE 2.78Å; E88-R92 VanDerWaalsContact OE1-NE 3.14Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.09Å
89K70.8Confident64.3Low113 Ų113124.3 Ų124.349%0.49163%0.634SS.*Hα-helixtrans-63.9-29.7174.8-158.8171.9-164.8166.10112.3E85 V87 K93E85-K89 VanDerWaalsContact O-CB 3.27Å; E85-K89 WeakPolarHBondContact O-CB 3.37Å; E85-K89 PolarHBondContact O-N 3.11Å; V87-K89 PolarHBondContact O-N 3.29Å; K89-K93 WeakPolarHBondContact O-CB 3.34Å; K89-K93 WeakPolarHBondContact O-CD 3.35Å; K89-K93 WeakPolarHBondContact O-CG 3.09Å; K89-K93 PolarHBondContact O-N 3.29Å
90R70.5Confident64.8Low202 Ų202116.2 Ų116.276%0.76261%0.611SS**Hα-helixtrans-77.5-39175.3-166.2173.8178.5-177.4-2.7111.5N86 V87 E88 K93 A94N86-R90 WeakPolarHBondContact O-CB 3.46Å; N86-R90 PolarHBondContact O-N 3.26Å; N86-R90 VanDerWaalsContact O-N 3.14Å; V87-R90 WeakPolarHBondContact O-CA 3.43Å; V87-R90 WeakPolarHBondContact O-CB 3.43Å; V87-R90 PolarHBondContact O-N 3.35Å; V87-R90 VanDerWaalsContact O-N 3.08Å; E88-R90 PolarHBondContact O-N 3.37Å; R90-K93 PolarHBondContact O-N 3.1Å; R90-A94 PolarHBondContact O-N 3.24Å
91Q70.2Confident65.7Low124 Ų124116.7 Ų116.758%0.57960%0.6SS**Hα-helixtrans-65.8-47.1174-71.4176.5-2.200111.9V87 E88 K93 A94 M95V87-Q91 HydrophobicContact CG1-CG 4.49Å; V87-Q91 WeakPolarHBondContact O-CG 3.41Å; V87-Q91 PolarHBondContact O-N 3.44Å; E88-Q91 PolarHBondContact O-N 2.94Å; Q91-K93 VanDerWaalsContact C-N 3.25Å; Q91-K93 PolarHBondContact O-N 2.97Å; Q91-A94 WeakPolarHBondContact O-CB 3.24Å; Q91-A94 PolarHBondContact O-N 3.1Å; Q91-M95 PolarHBondContact O-N 3.45Å
92R72.4Confident66.6Low171 Ų171114.3 Ų114.365%0.64560%0.597SS**Hα-helixtrans-58.9-35.1174.4-70.6177.8-175.7-154.13112.4E88 K96E88-R92 WeakPolarHBondContact O-CB 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.99Å; E88-R92 IonicContact OE1-CZ 3.25Å; E88-R92 VanDerWaalsContact OE1-CZ 3.25Å; E88-R92 IonicContact OE1-NE 3.14Å; E88-R92 PolarHBondContact OE1-NE 2.78Å; E88-R92 VanDerWaalsContact OE1-NE 3.14Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.09Å; R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.14Å; R92-K96 VanDerWaalsContact O-N 3.17Å
93K70.9Confident67.4Low149 Ų149119.7 Ų119.765%0.64860%0.603SS**Hα-helixtrans-72.1-35.2174-77.8175.8-179.5-177.10112.9K89 R90 Q91K89-K93 WeakPolarHBondContact O-CB 3.34Å; K89-K93 WeakPolarHBondContact O-CD 3.35Å; K89-K93 WeakPolarHBondContact O-CG 3.09Å; K89-K93 PolarHBondContact O-N 3.29Å; R90-K93 PolarHBondContact O-N 3.1Å; Q91-K93 VanDerWaalsContact C-N 3.25Å; Q91-K93 PolarHBondContact O-N 2.97Å
94A69.6Low67.9Low76 Ų76116.9 Ų116.963%0.62859%0.594SS**Hα-helixtrans-68-38.7174.700000111.5R90 Q91R90-A94 PolarHBondContact O-N 3.24Å; Q91-A94 WeakPolarHBondContact O-CB 3.24Å; Q91-A94 PolarHBondContact O-N 3.1Å
95M66.2Low68.6Low156 Ų156117.7 Ų117.777%0.76859%0.588SS**Hα-helixtrans-72.7-25.3177.6-116.8174.4177.900113.9Q91 G97 V98Q91-M95 PolarHBondContact O-N 3.45Å; M95-G97 PolarHBondContact O-N 3Å; M95-V98 PolarHBondContact O-N 2.92Å
96K65.1Low69.3Low192 Ų192120.2 Ų120.284%0.83559%0.592SS**THydrogen-bonded Turntrans-67.9-4.3-179.7-166.6165.9-176.8171.80114.6R92R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.14Å; R92-K96 VanDerWaalsContact O-N 3.17Å
97G60.4Low69.6Low63 Ų63120.9 Ų120.965%0.64960%0.595SS**THydrogen-bonded Turntrans-106.52.9-179.500000115.2M95 A99M95-G97 PolarHBondContact O-N 3Å; G97-A99 PolarHBondContact O-N 3.35Å; G97-A99 VanDerWaalsContact O-N 3.14Å
98V63.8Low69.7Low104 Ų104124.8 Ų124.863%0.6361%0.607SS**  trans-67115.9175.2-178.70000107.8M95 D100M95-V98 PolarHBondContact O-N 2.92Å; V98-D100 PolarHBondContact O-N 3.08Å
99A62.2Low69.9Low65 Ų65129.3 Ų129.354%0.53763%0.626SS.*  trans-81.5100.2-175.200000109G97 P101 I104G97-A99 PolarHBondContact O-N 3.35Å; G97-A99 VanDerWaalsContact O-N 3.14Å; A99-P101 WeakPolarHBondContact O-CD 3.11Å; A99-I104 HydrophobicContact CB-CD1 3.76Å
100D64.5Low69.8Low101 Ų101131.1 Ų131.154%0.5464%0.64SS.*  trans-58.7117.6172.8-74.8-42.6000109.6V98 E102 R103 I104V98-D100 PolarHBondContact O-N 3.08Å; D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.65Å; D100-R103 HydrophobicContact CB-CB 3.92Å; D100-R103 WeakPolarHBondContact O-CB 3.41Å; D100-R103 PolarHBondContact O-N 2.98Å; D100-I104 PolarHBondContact O-N 3.02Å
101P73.4Confident69.4Low84 Ų84129.1 Ų129.155%0.54564%0.641SS.*Hα-helixtrans-61.9-37.3-174.823.3-32.3000111.5A99 R103 I104 E105A99-P101 WeakPolarHBondContact O-CD 3.11Å; P101-R103 VanDerWaalsContact C-N 3.28Å; P101-R103 PolarHBondContact O-N 2.95Å; P101-I104 PolarHBondContact O-N 2.77Å; P101-E105 PolarHBondContact O-N 3.49Å
102E74.8Confident68.9Low132 Ų132128.4 Ų128.462%0.61765%0.645SS**Hα-helixtrans-62.9-33.7176.2-61-170.6169.300112.9D100 R106D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.65Å; E102-R106 WeakPolarHBondContact O-CG 2.89Å; E102-R106 PolarHBondContact O-N 2.73Å
103R69.9Low68Low178 Ų178127.4 Ų127.467%0.67265%0.652SS**Hα-helixtrans-70.8-38.6178.1-166.4179.2-178.5-162.72.1110.6D100 P101 L107D100-R103 HydrophobicContact CB-CB 3.92Å; D100-R103 WeakPolarHBondContact O-CB 3.41Å; D100-R103 PolarHBondContact O-N 2.98Å; P101-R103 VanDerWaalsContact C-N 3.28Å; P101-R103 PolarHBondContact O-N 2.95Å; R103-L107 HydrophobicContact CG-CD1 3.96Å; R103-L107 WeakPolarHBondContact O-CD1 3.47Å; R103-L107 PolarHBondContact O-N 2.75Å; R103-L107 VanDerWaalsContact O-N 3.1Å
104I70.9Confident66.8Low74 Ų74127.3 Ų127.338%0.37966%0.659SS.*Hα-helixtrans-65.8-42.6175.9-65.9164.8000110.7A99 D100 P101 L107 K108A99-I104 HydrophobicContact CB-CD1 3.76Å; D100-I104 PolarHBondContact O-N 3.02Å; P101-I104 PolarHBondContact O-N 2.77Å; I104-L107 PolarHBondContact O-N 2.66Å; I104-K108 HydrophobicContact CG2-CD 4.24Å; I104-K108 HydrophobicContact CG2-CG 4.46Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 3.21Å
105E76.4Confident65.8Low131 Ų131128.9 Ų128.961%0.61266%0.663SS**Hα-helixtrans-66.7-41.2179.2-73.8177.3-177.600112.6P101 L107 K108 K109P101-E105 PolarHBondContact O-N 3.49Å; E105-L107 PolarHBondContact O-N 3.16Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K109 WeakPolarHBondContact O-CB 3.39Å; E105-K109 PolarHBondContact O-N 3.17Å
106R77.9Confident64.7Low176 Ų176127.2 Ų127.266%0.66466%0.661SS**Hα-helixtrans-59-45.4171.6-74.2-179.8-166.3-177.17.3111.7E102 K109 L110E102-R106 WeakPolarHBondContact O-CG 2.89Å; E102-R106 PolarHBondContact O-N 2.73Å; R106-K109 PolarHBondContact O-N 2.76Å; R106-L110 WeakPolarHBondContact O-CD1 3.43Å; R106-L110 PolarHBondContact O-N 2.76Å; R106-L110 VanDerWaalsContact O-N 3.11Å
107L70.4Confident63.5Low99 Ų99123.3 Ų123.352%0.51866%0.658SS.*Hα-helixtrans-65-39.1177.2-92.6106.6000112.8R103 I104 E105 K109 L110 M111R103-L107 HydrophobicContact CG-CD1 3.96Å; R103-L107 WeakPolarHBondContact O-CD1 3.47Å; R103-L107 PolarHBondContact O-N 2.75Å; R103-L107 VanDerWaalsContact O-N 3.1Å; I104-L107 PolarHBondContact O-N 2.66Å; E105-L107 PolarHBondContact O-N 3.16Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-L110 PolarHBondContact O-N 3.25Å; L107-M111 WeakPolarHBondContact O-CG 3.39Å; L107-M111 PolarHBondContact O-N 2.76Å
108K71.8Confident62.8Low141 Ų141127.9 Ų127.961%0.61366%0.663SS**Hα-helixtrans-63.6-39.8174.9-78.4179.4178.2178.70112I104 E105 L110 M111I104-K108 HydrophobicContact CG2-CD 4.24Å; I104-K108 HydrophobicContact CG2-CG 4.46Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 3.21Å; E105-K108 PolarHBondContact O-N 3.06Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 3.46Å; K108-M111 PolarHBondContact O-N 2.91Å
109K76.5Confident61.7Low184 Ų184132.2 Ų132.280%0.868%0.676SS**Hα-helixtrans-67.3-30.4177.8-165172.1-175.7178.20112.8E105 R106 L107E105-K109 WeakPolarHBondContact O-CB 3.39Å; E105-K109 PolarHBondContact O-N 3.17Å; R106-K109 PolarHBondContact O-N 2.76Å; L107-K109 VanDerWaalsContact C-N 3.34Å
110L67.9Low60.3Low151 Ų151132.8 Ų132.879%0.79169%0.688SS**Hα-helixtrans-78.1-19.4174.7-92.2140000113.9R106 L107 K108R106-L110 WeakPolarHBondContact O-CD1 3.43Å; R106-L110 PolarHBondContact O-N 2.76Å; R106-L110 VanDerWaalsContact O-N 3.11Å; L107-L110 PolarHBondContact O-N 3.25Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 3.46Å
111M62.1Low58.8Low160 Ų160135.3 Ų135.379%0.78870%0.702SS**THydrogen-bonded Turntrans-88.91.1-176.6-80.1-177.368.400114.9L107 K108L107-M111 WeakPolarHBondContact O-CG 3.39Å; L107-M111 PolarHBondContact O-N 2.76Å; K108-M111 PolarHBondContact O-N 2.91Å
112V59.3Low57.1Low110 Ų110135.2 Ų135.267%0.66770%0.703SS**  trans-111.787.1176.5-175.80000108.3
113N53.1Low55.5Low149 Ų149134.8 Ų134.880%0.79772%0.715SS**  trans176.988147-85.1-13.2000108
114N47.2Very low53.8Low147 Ų147130 Ų13079%0.78672%0.721SS**  trans-155.598150.3-138.926000109.6V116N114-V116 PolarHBondContact O-N 3.3Å
115P48.2Very low52.5Low109 Ų109130.5 Ų130.571%0.70874%0.744SS**  trans-64.9127.2151.929.2-29.1000107.2S117P115-S117 PolarHBondContact O-N 3.02Å; P115-S117 VanDerWaalsContact O-N 3.16Å
116V43.3Very low50.6Low121 Ų121128.5 Ų128.573%0.73375%0.75SS**  trans-61.8114177.1172.60000108.4N114N114-V116 PolarHBondContact O-N 3.3Å
117S39.3Very low49Very low111 Ų111124.7 Ų124.778%0.77676%0.756SS**  trans-120.2128.6159.3-70.10000107.8P115P115-S117 PolarHBondContact O-N 3.02Å; P115-S117 VanDerWaalsContact O-N 3.16Å
118E46.7Very low47.9Very low159 Ų159125.4 Ų125.474%0.74377%0.767SS**  trans-59.6163.1178.4-47-83137.400111.7
119E39.4Very low47Very low194 Ų194129.9 Ų129.991%0.90778%0.78SS**  trans91126.3170-51.4-77.2144.300118
120G32.9Very low45.7Very low77 Ų77127 Ų12779%0.79478%0.778SS**  trans109.989.1144.500000119.4
121D34.1Very low45.2Very low154 Ų154131 Ų13182%0.82478%0.782SS**  trans24.2143142.3-156.843.7000124.8
122S36.7Very low45.1Very low83 Ų83134.5 Ų134.558%0.5879%0.787SS**  trans76.6107.2151.1-80.60000123
123S42.3Very low45.3Very low122 Ų122139.7 Ų139.785%0.85379%0.794SS**  77.1110.4128.375.50000119
124G33.3Very low45.7Very low79 Ų79141.3 Ų141.381%0.81480%0.797SS**  trans164.385167.200000115
125G43.3Very low46.7Very low83 Ų83142.3 Ų142.386%0.85679%0.794SS**  trans38.291146.200000119.9
126A37.9Very low47.6Very low89 Ų89142.3 Ų142.374%0.73680%0.795SS**  179.398.8129.100000107.3P128A126-P128 WeakPolarHBondContact O-CD 3.49Å
127A43.6Very low48.8Very low96 Ų96143.2 Ų143.279%0.79380%0.795SS**  trans-51.7117.8169.300000107.8R129A127-R129 PolarHBondContact O-N 3.47Å
128P46.6Very low50.5Low114 Ų114144.9 Ų144.974%0.7479%0.788SS**  trans-62.9113.5178.924.6-29.8000104.9A126 T130A126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-T130 WeakPolarHBondContact O-CA 3.33Å; P128-T130 PolarHBondContact O-N 2.95Å
129R52.5Low52.1Low236 Ų236141.8 Ų141.889%0.89178%0.776SS**  trans-43.7108.1173.9-64.5175.195.5135.75.5105.5A127 R131A127-R129 PolarHBondContact O-N 3.47Å; R129-R131 PolarHBondContact O-N 3.02Å
130T49.5Very low54.1Low124 Ų124135.4 Ų135.476%0.76175%0.75SS**  trans-44.5107.2-171.4-51.10000106.1P128 R132P128-T130 WeakPolarHBondContact O-CA 3.33Å; P128-T130 PolarHBondContact O-N 2.95Å; T130-R132 VanDerWaalsContact C-N 3.32Å; T130-R132 PolarHBondContact O-N 3.33Å
131R57.2Low56.3Low234 Ų234137.1 Ų137.188%0.88374%0.741SS**  trans-48.8111.1176.2-76-177.6179.9-177.60.8102.9R129 R133R129-R131 PolarHBondContact O-N 3.02Å; R131-R133 WeakPolarHBondContact O-CA 3.44Å; R131-R133 PolarHBondContact O-N 2.89Å
132R60.5Low58.5Low233 Ų233133.2 Ų133.288%0.87972%0.723SS**  trans-53102.6-175.3-175.8-178.1-171.6-173.22.2103.4T130 Q134T130-R132 VanDerWaalsContact C-N 3.32Å; T130-R132 PolarHBondContact O-N 3.33Å; R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-Q134 PolarHBondContact O-N 3.34Å
133R62.8Low60.6Low219 Ų219135 Ų13583%0.82672%0.717SS**  trans-51110.3-170.9-78.1-178.4175.3179.5-1.7103.3R131 K135R131-R133 WeakPolarHBondContact O-CA 3.44Å; R131-R133 PolarHBondContact O-N 2.89Å; R133-K135 PolarHBondContact O-N 3.33Å
134Q63.4Low62.3Low184 Ų184129.9 Ų129.986%0.8668%0.68SS**  trans-58.8101.7-179.5-76.9-81.410.100102.8R132 P136R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-Q134 PolarHBondContact O-N 3.34Å; Q134-P136 VanDerWaalsContact O-N 3.1Å
135K67.5Low64.6Low167 Ų167128.8 Ų128.873%0.72666%0.658SS**PPolyproline II helixtrans-59.4124.2-174.3-72.3175178.81790103.9R133 L137R133-K135 PolarHBondContact O-N 3.33Å; K135-L137 PolarHBondContact O-N 3.1Å
136P67.6Low66.4Low110 Ų110131.5 Ų131.571%0.71465%0.652SS**PPolyproline II helixtrans-52.5130.7-17920.4-31.3000108Q134 K138Q134-P136 VanDerWaalsContact O-N 3.1Å; P136-K138 WeakPolarHBondContact O-CG 3.05Å; P136-K138 PolarHBondContact O-N 3.11Å
137L68.4Low68.1Low140 Ų140128.8 Ų128.873%0.73363%0.627SS**PPolyproline II helixtrans-56.3117.2-177.6-68.3169.8000108K135 N139K135-L137 PolarHBondContact O-N 3.1Å; L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.33Å
138K73.4Confident69.5Low145 Ų145131.6 Ų131.663%0.6362%0.624SS**  trans-82.275.1-172.8-62.9179.7179.3-174.70109.6P136P136-K138 WeakPolarHBondContact O-CG 3.05Å; P136-K138 PolarHBondContact O-N 3.11Å
139N82.1Confident71Confident94 Ų94130.5 Ų130.550%0.50363%0.634SS.*  trans-84.2158.9177.5-64-16000111.3L137 L141 T142 R143L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.33Å; N139-L141 PolarHBondContact O-N 3.36Å; N139-T142 HydrophobicContact CB-CG2 4.38Å; N139-T142 PolarHBondContact N-OG1 3.22Å; N139-T142 PolarHBondContact O-N 3.14Å; N139-T142 PolarHBondContact O-OG1 3.06Å; N139-R143 PolarHBondContact O-N 3.06Å; N139-R143 VanDerWaalsContact O-N 3.1Å
140V80.6Confident72.4Confident60 Ų60121.8 Ų121.836%0.36461%0.609SS.*Hα-helixtrans-53.4-43.3176.1176.90000111.2T142 R143 M144 F186V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 3.32Å; V140-R143 PolarHBondContact O-N 3.19Å; V140-M144 HydrophobicContact CG1-CG 4.42Å; V140-M144 HydrophobicContact CG1-SD 4.48Å; V140-M144 WeakPolarHBondContact O-CG 3.45Å; V140-M144 PolarHBondContact O-N 3.24Å; V140-F186 WeakPolarHBondContact CG1-O 3.3Å
141L79.1Confident74Confident114 Ų114120.1 Ų120.160%0.59760%0.601SS**Hα-helixtrans-58.3-37.5176.1-61.5178.6000113.3N139 R143 M144 P145 V185N139-L141 PolarHBondContact O-N 3.36Å; L141-R143 VanDerWaalsContact C-N 3.3Å; L141-M144 HydrophobicContact CD2-SD 4.16Å; L141-P145 VanDerWaalsContact O-CD 3.31Å; L141-P145 WeakPolarHBondContact O-CD 3.42Å; L141-V185 HydrophobicContact CD2-CG1 3.41Å; L141-V185 VanDerWaalsContact CD2-CG1 3.41Å
142T80.2Confident75.2Confident72 Ų72109.7 Ų109.744%0.44256%0.562SS.*Hα-helixtrans-77.1-19.6177.764.20000112.7N139 V140N139-T142 HydrophobicContact CB-CG2 4.38Å; N139-T142 PolarHBondContact N-OG1 3.22Å; N139-T142 PolarHBondContact O-N 3.14Å; N139-T142 PolarHBondContact O-OG1 3.06Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 3.32Å
143R80Confident76.3Confident121 Ų12199.1 Ų99.146%0.45753%0.526SS..Hα-helixtrans-90.9-26.8179-71.5-171.9173.6-140.84113.3N139 V140 L141 L146N139-R143 PolarHBondContact O-N 3.06Å; N139-R143 VanDerWaalsContact O-N 3.1Å; V140-R143 PolarHBondContact O-N 3.19Å; L141-R143 VanDerWaalsContact C-N 3.3Å; R143-L146 WeakPolarHBondContact O-CB 3.44Å; R143-L146 PolarHBondContact O-N 2.91Å
144M79.7Confident77.5Confident14 Ų1493.5 Ų93.57%0.06951%0.509CS..G310 helixtrans-51.9-44.9179.6-84.5173.862.300113.8V140 L141 L146 H156 V159 V185 F186V140-M144 HydrophobicContact CG1-CG 4.42Å; V140-M144 HydrophobicContact CG1-SD 4.48Å; V140-M144 WeakPolarHBondContact O-CG 3.45Å; V140-M144 PolarHBondContact O-N 3.24Å; L141-M144 HydrophobicContact CD2-SD 4.16Å; M144-L146 VanDerWaalsContact C-N 3.29Å; M144-L146 PolarHBondContact O-N 3.04Å; M144-H156 VanDerWaalsContact C-CD2 3.46Å; M144-H156 PolarHBondContact O-CD2 3.3Å; M144-H156 VanDerWaalsContact O-CD2 3.25Å; M144-V159 HydrophobicContact CE-CB 4.31Å; M144-V159 HydrophobicContact CE-CG1 3.81Å; M144-V159 HydrophobicContact CE-CG2 4.23Å; M144-V185 HydrophobicContact SD-CB 3.91Å; M144-V185 HydrophobicContact SD-CG1 3.88Å; M144-F186 HydrophobicContact CB-CE1 4.22Å; M144-F186 HydrophobicContact CB-CZ 4.17Å; M144-F186 HydrophobicContact CE-CD1 3.97Å; M144-F186 HydrophobicContact CE-CE1 3.79Å; M144-F186 HydrophobicContact CG-CD1 4.11Å; M144-F186 HydrophobicContact CG-CE1 3.77Å; M144-F186 HydrophobicContact CG-CE2 4.38Å; M144-F186 HydrophobicContact CG-CZ 3.91Å; M144-F186 HydrophobicContact SD-CD1 4.43Å; M144-F186 HydrophobicContact SD-CE1 4.44Å
145P80.6Confident78.5Confident56 Ų5684.9 Ų84.936%0.36447%0.469SS..G310 helixtrans-72.4-20.1177.8-18.833000113.9L141 C147 Q148L141-P145 VanDerWaalsContact O-CD 3.31Å; L141-P145 WeakPolarHBondContact O-CD 3.42Å; P145-C147 PolarHBondContact O-N 2.98Å; P145-Q148 WeakPolarHBondContact O-CG 3.37Å
146L80.3Confident79.5Confident139 Ų13977.8 Ų77.873%0.72844%0.438SS*.G310 helixtrans-77.6-5.7-177.3-57177000112.7R143 M144 Q148R143-L146 WeakPolarHBondContact O-CB 3.44Å; R143-L146 PolarHBondContact O-N 2.91Å; M144-L146 VanDerWaalsContact C-N 3.29Å; M144-L146 PolarHBondContact O-N 3.04Å; L146-Q148 VanDerWaalsContact C-N 3.32Å
147C75Confident80.4Confident32 Ų3277.2 Ų77.222%0.21642%0.422CS..G310 helixtrans-89.312.9179.7-65.70000113.9P145 G149 S150 L152 G153P145-C147 PolarHBondContact O-N 2.98Å; C147-G149 PolarHBondContact O-N 3.27Å; C147-S150 PolarHBondContact O-N 3.39Å; C147-L152 HydrophobicContact CB-CB 3.9Å; C147-G153 WeakPolarHBondContact O-CA 3.45Å; C147-G153 PolarHBondContact O-N 3.39Å; C147-G153 VanDerWaalsContact O-N 3.11Å
148Q71.8Confident81.3Confident155 Ų15571.6 Ų71.672%0.72439%0.394SS*.THydrogen-bonded Turntrans-57.3131.3175.1-75175.3-25.400111P145 L146P145-Q148 WeakPolarHBondContact O-CG 3.37Å; L146-Q148 VanDerWaalsContact C-N 3.32Å
149G78.3Confident82Confident92 Ų9265 Ų6595%0.94837%0.366SS*.THydrogen-bonded Turntrans89.6-1-177.500000115.9C147C147-G149 PolarHBondContact O-N 3.27Å
150S82.6Confident82.2Confident52 Ų5266.5 Ų66.536%0.36437%0.37SS..SBendtrans-106.4161.6172.4-177.90000110.2C147 L152 G153 E154C147-S150 PolarHBondContact O-N 3.39Å; S150-L152 PolarHBondContact O-N 3.17Å; S150-G153 WeakPolarHBondContact O-CA 3.35Å; S150-G153 PolarHBondContact O-N 3.27Å; S150-E154 PolarHBondContact O-N 2.99Å
151P82.9Confident82.6Confident90 Ų9069.2 Ų69.258%0.58438%0.379SS*.Hα-helixtrans-50.4-26.5165.118.5-34.5000114G153 L155 W190P151-G153 VanDerWaalsContact C-N 3.33Å; P151-L155 PolarHBondContact O-N 2.99Å; P151-W190 HydrophobicContact CB-CH2 4.29Å
152L82.6Confident82.9Confident14 Ų1470.7 Ų70.77%0.07338%0.376CS..Hα-helixtrans-71.9-24.1171.6-68.3174.3000113.5C147 S150 L155 H156 F186 W190C147-L152 HydrophobicContact CB-CB 3.9Å; S150-L152 PolarHBondContact O-N 3.17Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å; L152-L155 WeakPolarHBondContact O-CB 3.32Å; L152-L155 PolarHBondContact O-N 3.08Å; L152-H156 PolarHBondContact O-N 2.87Å; L152-F186 HydrophobicContact CB-CE2 4.12Å; L152-F186 HydrophobicContact CD2-CD2 4.23Å; L152-F186 HydrophobicContact CD2-CE2 4.42Å; L152-F186 WeakPolarHBondContact O-CZ 3.44Å; L152-W190 HydrophobicContact CD2-CD2 3.95Å; L152-W190 HydrophobicContact CD2-CE3 4.15Å; L152-W190 HydrophobicContact CD2-CG 4.5Å; L152-W190 HydrophobicContact CD2-CH2 4.28Å; L152-W190 HydrophobicContact CD2-CZ2 4.08Å; L152-W190 HydrophobicContact CD2-CZ3 4.3Å; L152-W190 HydrophobicContact CG-CZ2 4.47Å
153G84.3Confident83.2Confident12 Ų1270.2 Ų70.212%0.12437%0.37CS..Hα-helixtrans-69.9-36.5173.500000112.6C147 S150 P151 L155 H156 R157C147-G153 WeakPolarHBondContact O-CA 3.45Å; C147-G153 PolarHBondContact O-N 3.39Å; C147-G153 VanDerWaalsContact O-N 3.11Å; S150-G153 WeakPolarHBondContact O-CA 3.35Å; S150-G153 PolarHBondContact O-N 3.27Å; P151-G153 VanDerWaalsContact C-N 3.33Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 3.45Å; G153-H156 WeakPolarHBondContact O-CA 3.49Å; G153-H156 VanDerWaalsContact O-CB 3.24Å; G153-H156 WeakPolarHBondContact O-CB 3.21Å; G153-H156 PolarHBondContact O-N 2.83Å; G153-H156 VanDerWaalsContact O-N 3.1Å; G153-R157 PolarHBondContact O-N 3.36Å
154E86.3Confident83.4Confident101 Ų10172 Ų7247%0.47238%0.377SS..Hα-helixtrans-63.6-39.1169.9-74.8-68.7125.700111S150 H156 R157 C158S150-E154 PolarHBondContact O-N 2.99Å; E154-H156 VanDerWaalsContact C-N 3.27Å; E154-H156 PolarHBondContact O-N 3.23Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.34Å; E154-R157 IonicContact OE1-CZ 2.67Å; E154-R157 IonicContact OE1-NH1 3.07Å; E154-R157 PolarHBondContact OE1-NH1 2.94Å; E154-R157 IonicContact OE2-CZ 3.72Å; E154-R157 IonicContact OE2-NH1 2.82Å; E154-R157 PolarHBondContact OE2-NH1 2.85Å; E154-R157 IonicContact OE2-NH2 3.82Å; E154-R157 PolarHBondContact OE2-NH2 3.06Å; E154-C158 PolarHBondContact O-N 3.23Å; E154-C158 VanDerWaalsContact O-N 3.09Å; E154-C158 PolarHBondContact O-SG 3.17Å
155L85.5Confident83.6Confident3 Ų372 Ų722%0.01638%0.378CS..Hα-helixtrans-63.6-34.1172.3-170.461.4000111.9P151 L152 G153 C158 V159 V183 F186 M192 L221P151-L155 PolarHBondContact O-N 2.99Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å; L152-L155 WeakPolarHBondContact O-CB 3.32Å; L152-L155 PolarHBondContact O-N 3.08Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 3.45Å; L155-C158 WeakPolarHBondContact O-CB 3.45Å; L155-C158 PolarHBondContact O-N 2.77Å; L155-V159 WeakPolarHBondContact O-CG2 3.33Å; L155-V159 PolarHBondContact O-N 3.35Å; L155-V159 VanDerWaalsContact O-N 3.08Å; L155-V183 HydrophobicContact CD1-CG2 4.35Å; L155-F186 HydrophobicContact CD2-CB 3.78Å; L155-F186 HydrophobicContact CD2-CD1 4.21Å; L155-F186 HydrophobicContact CD2-CD2 4.09Å; L155-F186 HydrophobicContact CD2-CG 3.75Å; L155-F186 HydrophobicContact CG-CB 4.5Å; L155-F186 HydrophobicContact CG-CD1 4.12Å; L155-F186 HydrophobicContact CG-CG 4.18Å; L155-M192 HydrophobicContact CD2-CE 4.24Å; L155-L221 HydrophobicContact CD1-CD2 3.86Å
156H87.6Confident83.8Confident17 Ų1777.1 Ų77.18%0.07939%0.39CS..Hα-helixtrans-63.2-41.6172.6-172.3-104.5000112.6M144 L152 G153 E154 C158 V159 Q160 F186M144-H156 VanDerWaalsContact C-CD2 3.46Å; M144-H156 PolarHBondContact O-CD2 3.3Å; M144-H156 VanDerWaalsContact O-CD2 3.25Å; L152-H156 PolarHBondContact O-N 2.87Å; G153-H156 WeakPolarHBondContact O-CA 3.49Å; G153-H156 VanDerWaalsContact O-CB 3.24Å; G153-H156 WeakPolarHBondContact O-CB 3.21Å; G153-H156 PolarHBondContact O-N 2.83Å; G153-H156 VanDerWaalsContact O-N 3.1Å; E154-H156 VanDerWaalsContact C-N 3.27Å; E154-H156 PolarHBondContact O-N 3.23Å; H156-C158 VanDerWaalsContact C-N 3.31Å; H156-C158 PolarHBondContact O-N 3.14Å; H156-V159 WeakPolarHBondContact O-CB 3.41Å; H156-V159 PolarHBondContact O-N 3.03Å; H156-V159 VanDerWaalsContact O-N 3.1Å; H156-Q160 PolarHBondContact CE1-NE2 2.95Å; H156-Q160 PolarHBondContact ND1-OE1 3.47Å; H156-Q160 PolarHBondContact O-N 3.27Å; H156-F186 HydrophobicContact CB-CE1 3.89Å; H156-F186 HydrophobicContact CB-CZ 3.84Å; H156-F186 AromaticContact CD2-CE1 3.98Å
157R87.3Confident84Confident98 Ų9870.5 Ų70.537%0.3736%0.355SS..Hα-helixtrans-58.9-44.9173-169.217776.5-129-11.5110.9G153 E154 V159 Q160 E161G153-R157 PolarHBondContact O-N 3.36Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.34Å; E154-R157 IonicContact OE1-CZ 2.67Å; E154-R157 IonicContact OE1-NH1 3.07Å; E154-R157 PolarHBondContact OE1-NH1 2.94Å; E154-R157 IonicContact OE2-CZ 3.72Å; E154-R157 IonicContact OE2-NH1 2.82Å; E154-R157 PolarHBondContact OE2-NH1 2.85Å; E154-R157 IonicContact OE2-NH2 3.82Å; E154-R157 PolarHBondContact OE2-NH2 3.06Å; R157-V159 PolarHBondContact O-N 3.32Å; R157-Q160 PolarHBondContact O-N 3.23Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; R157-E161 WeakPolarHBondContact CD-OE1 3.5Å; R157-E161 VanDerWaalsContact CG-CD 3.44Å; R157-E161 HydrophobicContact CG-CG 4.24Å; R157-E161 WeakPolarHBondContact CG-OE1 3.42Å; R157-E161 IonicContact NE-OE2 2.92Å; R157-E161 WeakPolarHBondContact O-CB 3.43Å; R157-E161 PolarHBondContact O-N 3.49Å
158C87.1Confident84.3Confident22 Ų2271.1 Ų71.115%0.14936%0.355CS..Hα-helixtrans-59-33.5175.2-66.40000113.5E154 L155 H156 R162 I163 V165E154-C158 PolarHBondContact O-N 3.23Å; E154-C158 VanDerWaalsContact O-N 3.09Å; E154-C158 PolarHBondContact O-SG 3.17Å; L155-C158 WeakPolarHBondContact O-CB 3.45Å; L155-C158 PolarHBondContact O-N 2.77Å; H156-C158 VanDerWaalsContact C-N 3.31Å; H156-C158 PolarHBondContact O-N 3.14Å; C158-R162 WeakPolarHBondContact O-CA 3.33Å; C158-R162 PolarHBondContact O-N 3.03Å; C158-I163 HydrophobicContact CB-CB 4.23Å; C158-I163 PolarHBondContact O-N 2.84Å; C158-V165 HydrophobicContact CB-CG2 3.81Å
159V87.7Confident84.9Confident8 Ų865.1 Ų65.15%0.04833%0.328CS..Hα-helixtrans-70.2-47.7172.9175.30000110.7M144 L155 H156 R157 R162 V183 V184 F186M144-V159 HydrophobicContact CE-CB 4.31Å; M144-V159 HydrophobicContact CE-CG1 3.81Å; M144-V159 HydrophobicContact CE-CG2 4.23Å; L155-V159 WeakPolarHBondContact O-CG2 3.33Å; L155-V159 PolarHBondContact O-N 3.35Å; L155-V159 VanDerWaalsContact O-N 3.08Å; H156-V159 WeakPolarHBondContact O-CB 3.41Å; H156-V159 PolarHBondContact O-N 3.03Å; H156-V159 VanDerWaalsContact O-N 3.1Å; R157-V159 PolarHBondContact O-N 3.32Å; V159-R162 PolarHBondContact O-N 3.14Å; V159-R162 PolarHBondContact O-NH1 3.25Å; V159-V183 HydrophobicContact CG2-CB 3.93Å; V159-V183 HydrophobicContact CG2-CG1 3.73Å; V159-V184 VanDerWaalsContact CG1-O 3.29Å; V159-V184 WeakPolarHBondContact CG1-O 3.35Å; V159-F186 HydrophobicContact CG2-CD1 3.93Å; V159-F186 HydrophobicContact CG2-CE1 4.24Å
160Q87.9Confident85.1Confident124 Ų12468.4 Ų68.458%0.57931%0.311SS*.Hα-helixtrans-61.8-49.3-177.9-72.8177.9-45.900112H156 R157 R162H156-Q160 PolarHBondContact CE1-NE2 2.95Å; H156-Q160 PolarHBondContact ND1-OE1 3.47Å; H156-Q160 PolarHBondContact O-N 3.27Å; R157-Q160 PolarHBondContact O-N 3.23Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-R162 PolarHBondContact O-N 2.68Å
161E88.3Confident84.9Confident117 Ų11768.4 Ų68.455%0.54731%0.309SS..THydrogen-bonded Turntrans-81.6-1.4-178.4-67.8171.2-171.400112.7R157 I163R157-E161 WeakPolarHBondContact CD-OE1 3.5Å; R157-E161 VanDerWaalsContact CG-CD 3.44Å; R157-E161 HydrophobicContact CG-CG 4.24Å; R157-E161 WeakPolarHBondContact CG-OE1 3.42Å; R157-E161 IonicContact NE-OE2 2.92Å; R157-E161 WeakPolarHBondContact O-CB 3.43Å; R157-E161 PolarHBondContact O-N 3.49Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 HydrophobicContact CB-CD1 3.9Å; E161-I163 HydrophobicContact CB-CG1 3.81Å; E161-I163 PolarHBondContact O-N 3.49Å; E161-I163 WeakPolarHBondContact OE2-CD1 3.42Å
162R85Confident84.6Confident146 Ų14673.3 Ų73.355%0.55132%0.322SS*.THydrogen-bonded Turntrans5050.9-175.8-61.8-67.8-167.4-108.3-1.6111.4C158 V159 Q160 F182C158-R162 WeakPolarHBondContact O-CA 3.33Å; C158-R162 PolarHBondContact O-N 3.03Å; V159-R162 PolarHBondContact O-N 3.14Å; V159-R162 PolarHBondContact O-NH1 3.25Å; Q160-R162 PolarHBondContact O-N 2.68Å; R162-F182 HydrophobicContact CB-CD1 4.38Å; R162-F182 WeakPolarHBondContact O-CD1 3.45Å; R162-F182 WeakPolarHBondContact O-CE1 3.46Å
163I86.5Confident84.1Confident62 Ų6281.6 Ų81.632%0.31836%0.357SS..  trans-78.1143176.8-62164.4000109.7C158 E161 V165C158-I163 HydrophobicContact CB-CB 4.23Å; C158-I163 PolarHBondContact O-N 2.84Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 HydrophobicContact CB-CD1 3.9Å; E161-I163 HydrophobicContact CB-CG1 3.81Å; E161-I163 PolarHBondContact O-N 3.49Å; E161-I163 WeakPolarHBondContact OE2-CD1 3.42Å; I163-V165 PolarHBondContact O-N 2.87Å
164R84.1Confident83.7Confident159 Ų15982.7 Ų82.760%0.637%0.369SS*.EExtended strand (participates in β ladder)trans-72.7115.9171.9-72.6-177.6168.6160.8-3.5110F182R164-F182 HydrophobicContact CB-CE1 4.47Å; R164-F182 HydrophobicContact CG-CD1 3.99Å; R164-F182 HydrophobicContact CG-CE1 3.39Å; R164-F182 HydrophobicContact CG-CE2 4.17Å; R164-F182 HydrophobicContact CG-CZ 3.5Å
165V84.7Confident83.4Confident14 Ų1483 Ų839%0.08537%0.373CS..EExtended strand (participates in β ladder)trans-102.3138.5179.3-176.10000110.3C158 I163 V167 S180 G181 V183 L221C158-V165 HydrophobicContact CB-CG2 3.81Å; I163-V165 PolarHBondContact O-N 2.87Å; V165-V167 HydrophobicContact CG1-CG2 4.1Å; V165-S180 WeakPolarHBondContact O-CA 3.23Å; V165-G181 PolarHBondContact N-O 3.34Å; V165-G181 PolarHBondContact O-N 3.19Å; V165-G181 VanDerWaalsContact O-N 3.09Å; V165-V183 HydrophobicContact CB-CG2 4.15Å; V165-V183 HydrophobicContact CG2-CG2 4.06Å; V165-L221 HydrophobicContact CG1-CD2 3.91Å
166R84.1Confident83.1Confident162 Ų16288.8 Ų88.861%0.61140%0.395SS*.EExtended strand (participates in β ladder)trans-99.4116.5169.8-66.8-175.4-179.6-172.71.6109.4V178R166-V178 HydrophobicContact CB-CG1 4.28Å
167V84.4Confident82.6Confident0 Ų088.5 Ų88.50%040%0.396CS..EExtended strand (participates in β ladder)trans-107.4120.3-179-175.10000108.6V165 V178 C179 M192 I214 V219V165-V167 HydrophobicContact CG1-CG2 4.1Å; V167-V178 WeakPolarHBondContact O-CA 3.21Å; V167-C179 PolarHBondContact N-O 3.38Å; V167-C179 PolarHBondContact O-N 3.16Å; V167-M192 HydrophobicContact CG1-SD 4.37Å; V167-M192 HydrophobicContact CG2-SD 3.65Å; V167-I214 HydrophobicContact CB-CD1 4.24Å; V167-I214 HydrophobicContact CG1-CD1 3.88Å; V167-I214 HydrophobicContact CG2-CD1 4.46Å; V167-V219 HydrophobicContact CG1-CG1 3.93Å; V167-V219 HydrophobicContact CG1-CG2 4.45Å
168H82.3Confident82.3Confident46 Ų4685.9 Ų85.921%0.21339%0.391CS..EExtended strand (participates in β ladder)trans-90.4122.5175.8-59.884.5000108.2L175 V178 C220H168-L175 HydrophobicContact CB-CD1 3.8Å; H168-V178 WeakPolarHBondContact CD2-CG2 3.18Å; H168-C220 HydrophobicContact CB-CB 4.19Å; H168-C220 WeakPolarHBondContact CB-O 3.44Å; H168-C220 PolarHBondContact N-O 3.37Å; H168-C220 VanDerWaalsContact N-O 3.09Å; H168-C220 PolarHBondContact O-N 3.46Å
169I83.2Confident81.9Confident29 Ų2985.2 Ų85.215%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-100.3119.5179.3-56.9176.9000107.7L175 R176 G177 C179 I214 C218I169-L175 WeakPolarHBondContact O-CD1 3.49Å; I169-R176 HydrophobicContact CB-CB 4.1Å; I169-R176 HydrophobicContact CG2-CB 3.89Å; I169-R176 WeakPolarHBondContact O-CA 3.39Å; I169-R176 WeakPolarHBondContact O-CB 3.46Å; I169-R176 PolarHBondContact O-N 3.09Å; I169-G177 PolarHBondContact N-O 2.89Å; I169-G177 PolarHBondContact O-N 2.74Å; I169-C179 VanDerWaalsContact CD1-SG 3.59Å; I169-I214 HydrophobicContact CD1-CG2 4.48Å; I169-I214 HydrophobicContact CG1-CG2 4.46Å; I169-C218 CarbonylContact C-O 3.57Å; I169-C218 WeakPolarHBondContact CA-O 3.02Å; I169-C218 HydrophobicContact CG2-CB 4.08Å
170R81.9Confident81.7Confident160 Ų16086 Ų8660%0.60439%0.392SS*.EExtended strand (participates in β ladder)trans-88.1144.6176.9-175.3176.2176.2-1770.6111.2G174 C218R170-G174 CarbonylContact C-O 3.58Å; R170-G174 WeakPolarHBondContact CA-O 3.27Å; R170-G174 WeakPolarHBondContact CG-O 3.5Å; R170-C218 PolarHBondContact N-O 3.33Å; R170-C218 WeakPolarHBondContact O-CB 3.44Å
171T79.3Confident81.5Confident53 Ų5380 Ų8033%0.32536%0.364SS..EExtended strand (participates in β ladder)trans-106.7174.3165.167.60000111.1K173 G174 R176T171-K173 PolarHBondContact O-N 2.85Å; T171-K173 VanDerWaalsContact O-N 3.1Å; T171-G174 PolarHBondContact N-O 2.94Å; T171-G174 PolarHBondContact O-N 2.96Å; T171-G174 PolarHBondContact OG1-N 3.32Å; T171-G174 PolarHBondContact OG1-O 3.32Å; T171-R176 HydrophobicContact CG2-CB 3.29Å; T171-R176 HydrophobicContact CG2-CG 3.49Å; T171-R176 VanDerWaalsContact CG2-CG 3.49Å
172F75.8Confident81.3Confident192 Ų19277.7 Ų77.784%0.84235%0.352SS*.THydrogen-bonded Turntrans-52.1-29.9176.3-178.4-108.6000114.2
173K71.9Confident81.3Confident189 Ų18970.8 Ų70.882%0.82233%0.327SS*.THydrogen-bonded Turntrans-136.137.9180-77.6-174.7172.3175.90113.3T171T171-K173 PolarHBondContact O-N 2.85Å; T171-K173 VanDerWaalsContact O-N 3.1Å
174G76.9Confident81.2Confident35 Ų3570.5 Ų70.536%0.36133%0.328SS..EExtended strand (participates in β ladder)trans156-162.2173.200000115.5R170 T171R170-G174 CarbonylContact C-O 3.58Å; R170-G174 WeakPolarHBondContact CA-O 3.27Å; R170-G174 WeakPolarHBondContact CG-O 3.5Å; T171-G174 PolarHBondContact N-O 2.94Å; T171-G174 PolarHBondContact O-N 2.96Å; T171-G174 PolarHBondContact OG1-N 3.32Å; T171-G174 PolarHBondContact OG1-O 3.32Å
175L79.4Confident81.3Confident108 Ų10864.8 Ų64.857%0.56531%0.31SS*.EExtended strand (participates in β ladder)trans-88.7121.9172.1-175.870.6000108.8H168 I169 V178H168-L175 HydrophobicContact CB-CD1 3.8Å; I169-L175 WeakPolarHBondContact O-CD1 3.49Å; L175-V178 HydrophobicContact CD2-CG2 4.14Å
176R79.7Confident81.3Confident124 Ų12464.3 Ų64.347%0.46831%0.307SS..EExtended strand (participates in β ladder)trans-69.6-39.9175.7-160.3176.3176.5134.5-0.1111.7I169 T171 Y203I169-R176 HydrophobicContact CB-CB 4.1Å; I169-R176 HydrophobicContact CG2-CB 3.89Å; I169-R176 WeakPolarHBondContact O-CA 3.39Å; I169-R176 WeakPolarHBondContact O-CB 3.46Å; I169-R176 PolarHBondContact O-N 3.09Å; T171-R176 HydrophobicContact CG2-CB 3.29Å; T171-R176 HydrophobicContact CG2-CG 3.49Å; T171-R176 VanDerWaalsContact CG2-CG 3.49Å; R176-Y203 PolarHBondContact NE-O 3.37Å; R176-Y203 PolarHBondContact NH2-O 3.02Å
177G78.1Confident81.3Confident11 Ų1158.9 Ų58.911%0.11329%0.29CS..EExtended strand (participates in β ladder)trans166170.3-170.800000112.3I169 S201I169-G177 PolarHBondContact N-O 2.89Å; I169-G177 PolarHBondContact O-N 2.74Å; G177-S201 WeakPolarHBondContact CA-O 3.3Å
178V79.3Confident81.2Confident42 Ų4265.8 Ų65.826%0.25532%0.32SS..EExtended strand (participates in β ladder)trans-117.5133.9172.6-172.80000107.9R166 V167 H168 L175 S201R166-V178 HydrophobicContact CB-CG1 4.28Å; V167-V178 WeakPolarHBondContact O-CA 3.21Å; H168-V178 WeakPolarHBondContact CD2-CG2 3.18Å; L175-V178 HydrophobicContact CD2-CG2 4.14Å; V178-S201 PolarHBondContact O-N 3.04Å
179C80.1Confident81.1Confident8 Ų870.1 Ų70.15%0.05434%0.338CS..EExtended strand (participates in β ladder)trans-117.8128174.7-59.90000109.7V167 I169 R194 V199V167-C179 PolarHBondContact N-O 3.38Å; V167-C179 PolarHBondContact O-N 3.16Å; I169-C179 VanDerWaalsContact CD1-SG 3.59Å; C179-R194 VanDerWaalsContact C-NH1 3.3Å; C179-R194 VanDerWaalsContact CB-CZ 3.45Å; C179-R194 VanDerWaalsContact CB-NH1 3.25Å; C179-R194 PolarHBondContact O-NH1 3.14Å; C179-V199 WeakPolarHBondContact CA-O 3.29Å
180S82.6Confident80.9Confident24 Ų2472.6 Ų72.617%0.16835%0.346CS..EExtended strand (participates in β ladder)trans-109.4134.3174.2-171.30000111.5V165 I198 V199V165-S180 WeakPolarHBondContact O-CA 3.23Å; S180-I198 PolarHBondContact O-N 3.24Å; S180-V199 PolarHBondContact N-O 3.18Å
181G83.1Confident80.9Confident0 Ų066.6 Ų66.60%033%0.326CS..EExtended strand (participates in β ladder)trans176.7-178.3176.600000113.8V165V165-G181 PolarHBondContact N-O 3.34Å; V165-G181 PolarHBondContact O-N 3.19Å; V165-G181 VanDerWaalsContact O-N 3.09Å
182F84.7Confident81Confident68 Ų6864.1 Ų64.130%0.29831%0.31SS..EExtended strand (participates in β ladder)trans-89.7130.1178.1-57.7-80.3000110.7R162 R164 R194 R195R162-F182 HydrophobicContact CB-CD1 4.38Å; R162-F182 WeakPolarHBondContact O-CD1 3.45Å; R162-F182 WeakPolarHBondContact O-CE1 3.46Å; R164-F182 HydrophobicContact CB-CE1 4.47Å; R164-F182 HydrophobicContact CG-CD1 3.99Å; R164-F182 HydrophobicContact CG-CE1 3.39Å; R164-F182 HydrophobicContact CG-CE2 4.17Å; R164-F182 HydrophobicContact CG-CZ 3.5Å; F182-R194 WeakPolarHBondContact O-CA 3.25Å; F182-R194 VanDerWaalsContact O-CB 3.27Å; F182-R194 WeakPolarHBondContact O-CB 3.42Å; F182-R194 WeakPolarHBondContact O-CG 3.43Å; F182-R195 PolarHBondContact O-N 2.9Å; F182-R195 VanDerWaalsContact O-N 3.14Å
183V85.6Confident81.2Confident1 Ų156.7 Ų56.71%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-84.6130.1176.2-174.60000109.5L155 V159 V165 F186 M192 R194L155-V183 HydrophobicContact CD1-CG2 4.35Å; V159-V183 HydrophobicContact CG2-CB 3.93Å; V159-V183 HydrophobicContact CG2-CG1 3.73Å; V165-V183 HydrophobicContact CB-CG2 4.15Å; V165-V183 HydrophobicContact CG2-CG2 4.06Å; V183-F186 HydrophobicContact CG1-CB 4.47Å; V183-M192 HydrophobicContact CG1-CB 4.23Å; V183-M192 HydrophobicContact CG2-SD 4.32Å; V183-R194 HydrophobicContact CB-CG 4.4Å; V183-R194 HydrophobicContact CG2-CG 3.91Å
184V84.8Confident81.3Confident56 Ų5647.7 Ų47.734%0.33924%0.242SC..EExtended strand (participates in β ladder)trans-99.2-48.6178.3-175.60000110.1V159 V193 R195V159-V184 VanDerWaalsContact CG1-O 3.29Å; V159-V184 WeakPolarHBondContact CG1-O 3.35Å; V184-V193 PolarHBondContact N-O 3.24Å; V184-R195 HydrophobicContact CG2-CB 3.71Å
185V85.8Confident80.9Confident38 Ų3853.4 Ų53.423%0.2325%0.252CS..EExtended strand (participates in β ladder)trans-141.5148.6177.6-65.90000110L141 M144 M192 V193L141-V185 HydrophobicContact CD2-CG1 3.41Å; L141-V185 VanDerWaalsContact CD2-CG1 3.41Å; M144-V185 HydrophobicContact SD-CB 3.91Å; M144-V185 HydrophobicContact SD-CG1 3.88Å; V185-M192 WeakPolarHBondContact O-CA 3.33Å; V185-V193 HydrophobicContact CG2-CB 3.63Å; V185-V193 HydrophobicContact CG2-CG2 3.74Å; V185-V193 PolarHBondContact N-O 2.76Å; V185-V193 PolarHBondContact O-N 3.19Å
186F83.8Confident79.9Confident5 Ų557 Ų572%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-136.5155174.168.5-88.1000110V140 M144 L152 L155 H156 V159 V183 N191 M192V140-F186 WeakPolarHBondContact CG1-O 3.3Å; M144-F186 HydrophobicContact CB-CE1 4.22Å; M144-F186 HydrophobicContact CB-CZ 4.17Å; M144-F186 HydrophobicContact CE-CD1 3.97Å; M144-F186 HydrophobicContact CE-CE1 3.79Å; M144-F186 HydrophobicContact CG-CD1 4.11Å; M144-F186 HydrophobicContact CG-CE1 3.77Å; M144-F186 HydrophobicContact CG-CE2 4.38Å; M144-F186 HydrophobicContact CG-CZ 3.91Å; M144-F186 HydrophobicContact SD-CD1 4.43Å; M144-F186 HydrophobicContact SD-CE1 4.44Å; L152-F186 HydrophobicContact CB-CE2 4.12Å; L152-F186 HydrophobicContact CD2-CD2 4.23Å; L152-F186 HydrophobicContact CD2-CE2 4.42Å; L152-F186 WeakPolarHBondContact O-CZ 3.44Å; L155-F186 HydrophobicContact CD2-CB 3.78Å; L155-F186 HydrophobicContact CD2-CD1 4.21Å; L155-F186 HydrophobicContact CD2-CD2 4.09Å; L155-F186 HydrophobicContact CD2-CG 3.75Å; L155-F186 HydrophobicContact CG-CB 4.5Å; L155-F186 HydrophobicContact CG-CD1 4.12Å; L155-F186 HydrophobicContact CG-CG 4.18Å; H156-F186 HydrophobicContact CB-CE1 3.89Å; H156-F186 HydrophobicContact CB-CZ 3.84Å; H156-F186 AromaticContact CD2-CE1 3.98Å; V159-F186 HydrophobicContact CG2-CD1 3.93Å; V159-F186 HydrophobicContact CG2-CE1 4.24Å; V183-F186 HydrophobicContact CG1-CB 4.47Å; F186-N191 CarbonylContact C-O 3.45Å; F186-N191 VanDerWaalsContact CA-O 3.27Å; F186-N191 WeakPolarHBondContact CA-O 3.06Å; F186-M192 HydrophobicContact CB-CB 4.21Å
187D84.9Confident79.1Confident47 Ų4753.8 Ų53.825%0.25125%0.254SS..  trans-113.9164.7178.4-167.39.8000110.8F189 W190 N191D187-F189 PolarHBondContact O-N 3.45Å; D187-F189 VanDerWaalsContact O-N 3.08Å; D187-W190 PolarHBondContact O-N 3.07Å; D187-N191 HydrophobicContact CB-CB 4.01Å; D187-N191 PolarHBondContact N-O 3.33Å
188K81.2Confident78.2Confident145 Ų14557.8 Ų57.863%0.6327%0.272SS*.THydrogen-bonded Turntrans-52.7-31.7175.4-179.1179.9178.1-174.80112.2W190K188-W190 PolarHBondContact O-N 3.14Å
189F80.4Confident77.1Confident137 Ų13760 Ų6060%0.60129%0.285SS*.THydrogen-bonded Turntrans-82.913.5179.2-62.1-70.1000113.4D187 N191 G216D187-F189 PolarHBondContact O-N 3.45Å; D187-F189 VanDerWaalsContact O-N 3.08Å; F189-N191 PolarHBondContact O-N 2.65Å; F189-N191 VanDerWaalsContact O-N 3.09Å; F189-G216 WeakPolarHBondContact O-CA 3.44Å
190W78.9Confident76.1Confident81 Ų8163.1 Ų63.131%0.30731%0.306SS..SBendtrans62.111.8-172.8-55.781000114P151 L152 D187 K188 M192 V219 L221P151-W190 HydrophobicContact CB-CH2 4.29Å; L152-W190 HydrophobicContact CD2-CD2 3.95Å; L152-W190 HydrophobicContact CD2-CE3 4.15Å; L152-W190 HydrophobicContact CD2-CG 4.5Å; L152-W190 HydrophobicContact CD2-CH2 4.28Å; L152-W190 HydrophobicContact CD2-CZ2 4.08Å; L152-W190 HydrophobicContact CD2-CZ3 4.3Å; L152-W190 HydrophobicContact CG-CZ2 4.47Å; D187-W190 PolarHBondContact O-N 3.07Å; K188-W190 PolarHBondContact O-N 3.14Å; W190-M192 WeakPolarHBondContact O-CE 3.49Å; W190-M192 PolarHBondContact O-N 3.4Å; W190-V219 HydrophobicContact CB-CB 4.22Å; W190-V219 HydrophobicContact CB-CG1 4.39Å; W190-V219 HydrophobicContact CB-CG2 4.44Å; W190-V219 HydrophobicContact CE3-CG1 4.24Å; W190-L221 HydrophobicContact CE3-CD1 3.51Å; W190-L221 HydrophobicContact CZ3-CB 4.18Å; W190-L221 HydrophobicContact CZ3-CD1 3.43Å; W190-L221 VanDerWaalsContact CZ3-CD1 3.43Å; W190-L221 HydrophobicContact CZ3-CD2 4.3Å; W190-L221 HydrophobicContact CZ3-CG 4.15Å
191N82.4Confident74.8Confident34 Ų3465.4 Ų65.418%0.18232%0.322CS..  trans-66.2127.5166.1-64.6-32.2000107.9F186 D187 F189 F213 I214 A215 G216F186-N191 CarbonylContact C-O 3.45Å; F186-N191 VanDerWaalsContact CA-O 3.27Å; F186-N191 WeakPolarHBondContact CA-O 3.06Å; D187-N191 HydrophobicContact CB-CB 4.01Å; D187-N191 PolarHBondContact N-O 3.33Å; F189-N191 PolarHBondContact O-N 2.65Å; F189-N191 VanDerWaalsContact O-N 3.09Å; N191-F213 HydrophobicContact CB-CE1 4.41Å; N191-F213 HydrophobicContact CB-CE2 3.9Å; N191-F213 HydrophobicContact CB-CZ 3.63Å; N191-I214 VanDerWaalsContact CA-O 3.24Å; N191-I214 WeakPolarHBondContact CA-O 3.3Å; N191-I214 PolarHBondContact OD1-O 3.01Å; N191-A215 WeakPolarHBondContact OD1-CA 3.45Å; N191-G216 PolarHBondContact OD1-N 2.88Å
192M81.2Confident73.4Confident1 Ų171.3 Ų71.31%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-139.2144.9-17861.4-174.374.800111.6L155 V167 V183 V185 F186 W190 I214 V219 L221L155-M192 HydrophobicContact CD2-CE 4.24Å; V167-M192 HydrophobicContact CG1-SD 4.37Å; V167-M192 HydrophobicContact CG2-SD 3.65Å; V183-M192 HydrophobicContact CG1-CB 4.23Å; V183-M192 HydrophobicContact CG2-SD 4.32Å; V185-M192 WeakPolarHBondContact O-CA 3.33Å; F186-M192 HydrophobicContact CB-CB 4.21Å; W190-M192 WeakPolarHBondContact O-CE 3.49Å; W190-M192 PolarHBondContact O-N 3.4Å; M192-I214 HydrophobicContact CG-CB 4.23Å; M192-I214 HydrophobicContact CG-CD1 3.99Å; M192-I214 HydrophobicContact CG-CG1 4.5Å; M192-I214 PolarHBondContact N-O 3.15Å; M192-I214 PolarHBondContact O-N 3.35Å; M192-I214 VanDerWaalsContact O-N 3.17Å; M192-I214 HydrophobicContact SD-CD1 4.25Å; M192-V219 HydrophobicContact CE-CG1 4.08Å; M192-L221 HydrophobicContact CE-CD1 3.89Å
193V81.1Confident71.6Confident36 Ų3677.6 Ų77.622%0.21838%0.376CS..EExtended strand (participates in β ladder)trans-106.9127.7172.5-178.30000107.9V184 V185 C211 F213V184-V193 PolarHBondContact N-O 3.24Å; V185-V193 HydrophobicContact CG2-CB 3.63Å; V185-V193 HydrophobicContact CG2-CG2 3.74Å; V185-V193 PolarHBondContact N-O 2.76Å; V185-V193 PolarHBondContact O-N 3.19Å; V193-C211 HydrophobicContact CG1-CB 3.81Å; V193-F213 HydrophobicContact CG2-CD2 4.11Å
194R73.3Confident69.7Low1 Ų181 Ų810%0.00441%0.405CS..EExtended strand (participates in β ladder)trans-118.7144176.8-67.1-176.4-61177.60110.7C179 F182 V183 C211 L212 I214C179-R194 VanDerWaalsContact C-NH1 3.3Å; C179-R194 VanDerWaalsContact CB-CZ 3.45Å; C179-R194 VanDerWaalsContact CB-NH1 3.25Å; C179-R194 PolarHBondContact O-NH1 3.14Å; F182-R194 WeakPolarHBondContact O-CA 3.25Å; F182-R194 VanDerWaalsContact O-CB 3.27Å; F182-R194 WeakPolarHBondContact O-CB 3.42Å; F182-R194 WeakPolarHBondContact O-CG 3.43Å; V183-R194 HydrophobicContact CB-CG 4.4Å; V183-R194 HydrophobicContact CG2-CG 3.91Å; R194-C211 WeakPolarHBondContact O-CA 3.36Å; R194-L212 PolarHBondContact N-O 3.03Å; R194-L212 PolarHBondContact O-N 3.14Å; R194-I214 VanDerWaalsContact CZ-CD1 3.46Å
195R68Low67.7Low155 Ų15583.4 Ų83.459%0.58543%0.43SS*.EExtended strand (participates in β ladder)trans-95.7122.9176.5-163.8178.7178.7105.3-2.7108.7F182 V184 I210F182-R195 PolarHBondContact O-N 2.9Å; F182-R195 VanDerWaalsContact O-N 3.14Å; V184-R195 HydrophobicContact CG2-CB 3.71Å; R195-I210 WeakPolarHBondContact CA-O 3.32Å; R195-I210 HydrophobicContact CG-CG2 4.39Å
196R59.8Low65.4Low182 Ų18286.1 Ų86.169%0.68745%0.45SS*.EExtended strand (participates in β ladder)trans52.793.9177.5-66.1-169.7175.1-179.7-1.2115.2I210R196-I210 PolarHBondContact N-O 3.45Å
197P61.8Low63.1Low57 Ų5793.1 Ų93.137%0.3749%0.487SS..EExtended strand (participates in β ladder)trans-69.4133.3171.528.8-31.8000110.8
198I58.7Low61Low96 Ų9697.9 Ų97.949%0.49252%0.522SS..EExtended strand (participates in β ladder)trans-88.5-34.3179.5-60.3167.2000110.5S180S180-I198 PolarHBondContact O-N 3.24Å
199V57.9Low59Low88 Ų8895.4 Ų95.453%0.53352%0.519SS..EExtended strand (participates in β ladder)trans-145.6124.9176.9-174.20000108.5C179 S180C179-V199 WeakPolarHBondContact CA-O 3.29Å; S180-V199 PolarHBondContact N-O 3.18Å
200C59.1Low57.5Low73 Ų7393.9 Ų93.949%0.49352%0.516SS..EExtended strand (participates in β ladder)trans-122.299.5165.2-75.20000107L202C200-L202 PolarHBondContact O-N 3.03Å
201S55Low56Low73 Ų7393.5 Ų93.551%0.5153%0.525SS..  trans-83.8109.6173.8-162.40000109.4G177 V178G177-S201 WeakPolarHBondContact CA-O 3.3Å; V178-S201 PolarHBondContact O-N 3.04Å
202L52.2Low54.8Low124 Ų12494.5 Ų94.565%0.64953%0.53SS*.SBendtrans87.5125.8162.2-117.276.7000122.1C200 A204C200-L202 PolarHBondContact O-N 3.03Å; L202-A204 PolarHBondContact O-N 3.45Å
203Y47.2Very low53.7Low199 Ų199100.8 Ų100.878%0.7856%0.558SS**  trans40.466.1164.4-82-86.8000117.1R176R176-Y203 PolarHBondContact NE-O 3.37Å; R176-Y203 PolarHBondContact NH2-O 3.02Å
204A46.1Very low52.8Low74 Ų7499.4 Ų99.461%0.61255%0.549SS*.  trans-129.393.8143.300000107L202 C206L202-A204 PolarHBondContact O-N 3.45Å; A204-C206 VanDerWaalsContact C-N 3.29Å; A204-C206 PolarHBondContact O-N 3.29Å
205A43.3Very low52.5Low106 Ų106102 Ų10288%0.87657%0.57SS**  trans-57.9100.316000000107.2
206C36.8Very low52.1Low95 Ų9595.2 Ų95.264%0.64255%0.549SS*.  trans-165.194.9151.8-137.70000108.3A204A204-C206 VanDerWaalsContact C-N 3.29Å; A204-C206 PolarHBondContact O-N 3.29Å
207L36.9Very low52.3Low152 Ų15293 Ų9380%0.79656%0.56SS**  trans24.7124.9144.7-67.7153.7000116.8T209L207-T209 VanDerWaalsContact C-N 3.28Å; L207-T209 PolarHBondContact O-N 3.48Å; L207-T209 PolarHBondContact O-OG1 3.04Å
208C38.8Very low52.2Low147 Ų14792.8 Ų92.899%0.99356%0.559SS**  trans-24.381.6159.5-88.10000114.2
209T40.5Very low52.4Low93 Ų9389.2 Ų89.257%0.57154%0.542SS*.  trans-116.1128.4170.76.50000105.8L207 C211L207-T209 VanDerWaalsContact C-N 3.28Å; L207-T209 PolarHBondContact O-N 3.48Å; L207-T209 PolarHBondContact O-OG1 3.04Å; T209-C211 PolarHBondContact O-N 3.33Å
210I49Very low52.5Low105 Ų10588 Ų8854%0.53854%0.536SS..SBendtrans-58.3-12.7-172.8-68.2156.5000112.3R195 R196R195-I210 WeakPolarHBondContact CA-O 3.32Å; R195-I210 HydrophobicContact CG-CG2 4.39Å; R196-I210 PolarHBondContact N-O 3.45Å
211C47Very low52.5Low72 Ų7287.4 Ų87.449%0.48653%0.528SS..EExtended strand (participates in β ladder)trans-131.6115.2-179.2-66.70000111.3V193 R194 T209V193-C211 HydrophobicContact CG1-CB 3.81Å; R194-C211 WeakPolarHBondContact O-CA 3.36Å; T209-C211 PolarHBondContact O-N 3.33Å
212L58Low52.3Low55 Ų5587.6 Ų87.629%0.28853%0.53SS..EExtended strand (participates in β ladder)trans-95.4123.7169.4-173.272.4000109.4R194 I214R194-L212 PolarHBondContact N-O 3.03Å; R194-L212 PolarHBondContact O-N 3.14Å; L212-I214 HydrophobicContact CD2-CG1 4.27Å; L212-I214 HydrophobicContact CG-CG1 4.48Å
213F56.1Low51.9Low134 Ų13485.5 Ų85.559%0.58854%0.538SS*.EExtended strand (participates in β ladder)trans-92.2118.3171.3-172.9-96.7000109.5N191 V193N191-F213 HydrophobicContact CB-CE1 4.41Å; N191-F213 HydrophobicContact CB-CE2 3.9Å; N191-F213 HydrophobicContact CB-CZ 3.63Å; V193-F213 HydrophobicContact CG2-CD2 4.11Å
214I64.1Low51.8Low6 Ų684.6 Ų84.63%0.03154%0.54CS..EExtended strand (participates in β ladder)trans-100.4128.8175.1-57.8167.9000108.5V167 I169 N191 M192 R194 L212 V219V167-I214 HydrophobicContact CB-CD1 4.24Å; V167-I214 HydrophobicContact CG1-CD1 3.88Å; V167-I214 HydrophobicContact CG2-CD1 4.46Å; I169-I214 HydrophobicContact CD1-CG2 4.48Å; I169-I214 HydrophobicContact CG1-CG2 4.46Å; N191-I214 VanDerWaalsContact CA-O 3.24Å; N191-I214 WeakPolarHBondContact CA-O 3.3Å; N191-I214 PolarHBondContact OD1-O 3.01Å; M192-I214 HydrophobicContact CG-CB 4.23Å; M192-I214 HydrophobicContact CG-CD1 3.99Å; M192-I214 HydrophobicContact CG-CG1 4.5Å; M192-I214 PolarHBondContact N-O 3.15Å; M192-I214 PolarHBondContact O-N 3.35Å; M192-I214 VanDerWaalsContact O-N 3.17Å; M192-I214 HydrophobicContact SD-CD1 4.25Å; R194-I214 VanDerWaalsContact CZ-CD1 3.46Å; L212-I214 HydrophobicContact CD2-CG1 4.27Å; L212-I214 HydrophobicContact CG-CG1 4.48Å; I214-V219 HydrophobicContact CG2-CG2 3.52Å
215A65.3Low51.6Low55 Ų5584.7 Ų84.746%0.45555%0.548SS..PPolyproline II helixtrans-75.5131.6172.700000111.3N191 C217 C218N191-A215 WeakPolarHBondContact OD1-CA 3.45Å; A215-C217 PolarHBondContact O-N 2.72Å; A215-C218 PolarHBondContact O-N 2.97Å
216G61.2Low51.2Low13 Ų1382.9 Ų82.913%0.13454%0.54CS..G310 helixtrans-53.3-39.4-17500000118.1F189 N191 C218 V219F189-G216 WeakPolarHBondContact O-CA 3.44Å; N191-G216 PolarHBondContact OD1-N 2.88Å; G216-C218 PolarHBondContact O-N 3.13Å; G216-V219 PolarHBondContact O-N 3.08Å; G216-V219 VanDerWaalsContact O-N 3.14Å
217C63.3Low51.2Low136 Ų13684.4 Ų84.492%0.91955%0.55SS**G310 helixtrans-62.8-14-174.9-64.10000113.6A215A215-C217 PolarHBondContact O-N 2.72Å
218C58.7Low50.9Low52 Ų5292.4 Ų92.435%0.35157%0.57SS.*G310 helixtrans-109.85.4-178-61.60000113.5I169 R170 A215 G216I169-C218 CarbonylContact C-O 3.57Å; I169-C218 WeakPolarHBondContact CA-O 3.02Å; I169-C218 HydrophobicContact CG2-CB 4.08Å; R170-C218 PolarHBondContact N-O 3.33Å; R170-C218 WeakPolarHBondContact O-CB 3.44Å; A215-C218 PolarHBondContact O-N 2.97Å; G216-C218 PolarHBondContact O-N 3.13Å
219V64.3Low51.5Low22 Ų2289.7 Ų89.713%0.13355%0.549CS..EExtended strand (participates in β ladder)trans-92.5128.4-168.8176.10000112.2V167 W190 M192 I214 G216 L221V167-V219 HydrophobicContact CG1-CG1 3.93Å; V167-V219 HydrophobicContact CG1-CG2 4.45Å; W190-V219 HydrophobicContact CB-CB 4.22Å; W190-V219 HydrophobicContact CB-CG1 4.39Å; W190-V219 HydrophobicContact CB-CG2 4.44Å; W190-V219 HydrophobicContact CE3-CG1 4.24Å; M192-V219 HydrophobicContact CE-CG1 4.08Å; I214-V219 HydrophobicContact CG2-CG2 3.52Å; G216-V219 PolarHBondContact O-N 3.08Å; G216-V219 VanDerWaalsContact O-N 3.14Å; V219-L221 HydrophobicContact CG1-CD1 3.35Å
220C60.2Low52.1Low62 Ų6289.5 Ų89.542%0.41955%0.548SS..EExtended strand (participates in β ladder)trans-119.5120.5161.3-58.70000109.1H168H168-C220 HydrophobicContact CB-CB 4.19Å; H168-C220 WeakPolarHBondContact CB-O 3.44Å; H168-C220 PolarHBondContact N-O 3.37Å; H168-C220 VanDerWaalsContact N-O 3.09Å; H168-C220 PolarHBondContact O-N 3.46Å
221L58.2Low52.3Low60 Ų6088.7 Ų88.731%0.31455%0.548SS..EExtended strand (participates in β ladder)trans-95.4121.7168-90.788.3000109.1L155 V165 W190 M192 V219L155-L221 HydrophobicContact CD1-CD2 3.86Å; V165-L221 HydrophobicContact CG1-CD2 3.91Å; W190-L221 HydrophobicContact CE3-CD1 3.51Å; W190-L221 HydrophobicContact CZ3-CB 4.18Å; W190-L221 HydrophobicContact CZ3-CD1 3.43Å; W190-L221 VanDerWaalsContact CZ3-CD1 3.43Å; W190-L221 HydrophobicContact CZ3-CD2 4.3Å; W190-L221 HydrophobicContact CZ3-CG 4.15Å; M192-L221 HydrophobicContact CE-CD1 3.89Å; V219-L221 HydrophobicContact CG1-CD1 3.35Å
222S51.6Low52.6Low78 Ų7889.6 Ų89.655%0.54555%0.552SS.*  trans-105.3111.3166.2-60.80000106.9H224S222-H224 PolarHBondContact O-N 3.38Å
223G43.6Very low52.2Low80 Ų8091.8 Ų91.883%0.82557%0.568SS**  trans-72.9102171.700000108.9G225G223-G225 VanDerWaalsContact C-N 3.35Å; G223-G225 PolarHBondContact O-N 2.97Å
224H44.8Very low52Low180 Ų18089 Ų8983%0.83357%0.567SS**  trans-76.399.9154-104.8127.3000106S222 G226S222-H224 PolarHBondContact O-N 3.38Å; H224-G226 PolarHBondContact O-N 3.36Å
225G41.6Very low51.1Low75 Ų7594.9 Ų94.977%0.77361%0.605SS**  trans-6287.5161.300000108G223 C227G223-G225 VanDerWaalsContact C-N 3.35Å; G223-G225 PolarHBondContact O-N 2.97Å; G225-C227 VanDerWaalsContact C-N 3.34Å; G225-C227 PolarHBondContact O-N 3.33Å; G225-C227 VanDerWaalsContact O-N 3.09Å
226G34.4Very low50Low69 Ų6998 Ų9871%0.71162%0.617SS**  trans-73.292.7167.800000108H224 R228H224-G226 PolarHBondContact O-N 3.36Å; G226-R228 VanDerWaalsContact C-N 3.33Å; G226-R228 PolarHBondContact O-N 2.95Å; G226-R228 VanDerWaalsContact O-N 3.14Å
227C37Very low49.1Very low126 Ų126105.1 Ų105.185%0.85166%0.657SS**  trans-65.5100.2150.5-75.20000107.2G225G225-C227 VanDerWaalsContact C-N 3.34Å; G225-C227 PolarHBondContact O-N 3.33Å; G225-C227 VanDerWaalsContact O-N 3.09Å
228R31.4Very low47.8Very low321 Ų321102.3 Ų102.3100%1.21163%0.633SS**  trans1750142.7-96.4169-165.8-114.54.1109.7G226G226-R228 VanDerWaalsContact C-N 3.33Å; G226-R228 PolarHBondContact O-N 2.95Å; G226-R228 VanDerWaalsContact O-N 3.14Å

Retrieved 228 of 228 residues in 159.9 ms (Link to these results)