A0A077YXH7_TRITR Loading...

Large ribosomal subunit protein mL49

AlphaFold DB , UniProt , Accession A0A077YXH7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 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
1M41.1Very low41.2Very low249 Ų249144.4 Ų144.4100%1.22787%0.867SS**  0107.10-76.6175.8174.100107.2
2A43Very low41Very low101 Ų101151.8 Ų151.884%0.83587%0.868SS**PPolyproline II helixtrans-85125.8-168.300000111.1
3C37Very low40.8Very low121 Ų121154 Ų15482%0.81887%0.866SS**PPolyproline II helixtrans-96.3117.7166.6-78.30000108.7
4S42Very low40.8Very low121 Ų121150.9 Ų150.985%0.84686%0.86SS**PPolyproline II helixtrans-94120.9173.5-59.10000109.4
5F44.9Very low41Very low205 Ų205151.5 Ų151.590%0.89985%0.852SS**PPolyproline II helixtrans-73.9141.9177.6-93.3-98.8000112.1
6G41.6Very low41.4Very low80 Ų80149.4 Ų149.483%0.82585%0.847SS**PPolyproline II helixtrans-72.4141.5178.900000113.9
7G41.3Very low41.5Very low84 Ų84154.1 Ų154.187%0.86685%0.848SS**PPolyproline II helixtrans-86.8128.5171.300000111.4
8F37.9Very low41.5Very low194 Ų194156.6 Ų156.685%0.85185%0.852SS**  trans-102.4115.7169.9-158.2-98.2000108L10F8-L10 PolarHBondContact O-N 3.29Å
9L39.5Very low41.3Very low160 Ų160158.3 Ų158.384%0.83885%0.851SS**  trans-79.2114.8178.9-130.794.8000109.3V11L9-V11 HydrophobicContact CD2-CG2 4.46Å
10L41.2Very low41.2Very low148 Ų148153.4 Ų153.478%0.77584%0.84SS**  trans-102.1105.1170.2-123.4160.9000107.6F8 R12F8-L10 PolarHBondContact O-N 3.29Å; L10-R12 PolarHBondContact O-N 3.29Å
11V43.9Very low41.3Very low125 Ų125154 Ų15476%0.75883%0.83SS**  trans-76.1108.3172.5175.50000107.9L9L9-V11 HydrophobicContact CD2-CG2 4.46Å
12R38.7Very low41.6Very low233 Ų233153.8 Ų153.888%0.87982%0.815SS**  trans-80.7124.7170.6-101.1-177.3169.3172.4-2.3109.6L10 S14L10-R12 PolarHBondContact O-N 3.29Å; R12-S14 PolarHBondContact O-N 2.66Å
13E37.9Very low41.9Very low181 Ų181153.2 Ų153.285%0.84681%0.811SS**  trans-66.2124168.9-157.2159.6-162.700110
14S41.1Very low42.2Very low111 Ų111155.8 Ų155.878%0.77681%0.809SS**  trans-90.8115.2-176.3176.20000110.3R12R12-S14 PolarHBondContact O-N 2.66Å
15Q44.4Very low42.5Very low159 Ų159161.5 Ų161.574%0.74381%0.812SS**PPolyproline II helixtrans-89.4128.3168.8-68-74-31.900109.3
16P46.8Very low43Very low118 Ų118163 Ų16377%0.76681%0.811SS**PPolyproline II helixtrans-75.3136.5177.828.5-30.3000111.9
17R43.4Very low43.4Very low230 Ų230166.7 Ų166.787%0.86881%0.811SS**PPolyproline II helixtrans-68.9130.7-176.3-68.2179176.6-166-1.3112.4F19R17-F19 PolarHBondContact O-N 3.3Å
18Q41.1Very low43.7Very low198 Ų198167.9 Ų167.993%0.92580%0.797SS**  trans-67106.9163.7-68.6-95-19.400109.6
19F37.5Very low44Very low189 Ų189163.7 Ų163.783%0.82979%0.789SS**  trans-91.9115.5175.2-138.1-93.3000110.4R17R17-F19 PolarHBondContact O-N 3.3Å
20G39.4Very low44.9Very low61 Ų61164.3 Ų164.363%0.62979%0.792SS**  trans-76.7131.9-167.400000115.1R22G20-R22 PolarHBondContact O-N 3.09Å
21W43.5Very low45.5Very low166 Ų166162.4 Ų162.463%0.62978%0.783SS**THydrogen-bonded Turntrans-70.912.6-179.1-85.459.2000116.3A23 H40 W44W21-A23 PolarHBondContact O-N 3Å; W21-H40 AromaticContact CH2-CD2 3.71Å; W21-H40 AromaticContact CH2-CE1 3.84Å; W21-H40 AromaticContact CH2-NE2 2.82Å; W21-H40 WeakPolarHBondContact CH2-NE2 3.26Å; W21-H40 AromaticContact CZ2-NE2 3.8Å; W21-H40 AromaticContact CZ3-CD2 3.95Å; W21-H40 AromaticContact CZ3-CE1 3.9Å; W21-H40 AromaticContact CZ3-NE2 3.1Å; W21-H40 WeakPolarHBondContact CZ3-NE2 3.1Å; W21-W44 AromaticContact CE2-CZ2 3.87Å; W21-W44 HydrophobicContact CH2-CZ2 4.24Å; W21-W44 AromaticContact CH2-NE1 3.77Å; W21-W44 AromaticContact CZ2-CE2 3.88Å; W21-W44 AromaticContact CZ2-CZ2 3.39Å; W21-W44 HydrophobicContact CZ2-CZ2 3.39Å; W21-W44 AromaticContact CZ2-NE1 3.76Å
22R48Very low46.1Very low244 Ų244161.2 Ų161.292%0.92177%0.772SS**THydrogen-bonded Turntrans-80.7-12.9-170.2-71.9-172176.4-161-0.1115.1G20G20-R22 PolarHBondContact O-N 3.09Å
23A49.1Very low46.8Very low90 Ų90160.6 Ų160.674%0.74477%0.77SS**SBendtrans-87.9-22.6-174.700000115W21 R25W21-A23 PolarHBondContact O-N 3Å; A23-R25 VanDerWaalsContact C-N 3.32Å; A23-R25 PolarHBondContact O-N 3.24Å
24F42.4Very low47.8Very low175 Ų175155 Ų15577%0.76875%0.751SS**G310 helixtrans-82.1-4.2-168.2-127.2-93.6000115.1R26F24-R26 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.36Å
25R49.9Very low48.4Very low241 Ų241151.6 Ų151.691%0.90973%0.729SS**G310 helixtrans-80.91.1-173.3-100-173.7-177.6-160.42116.1A23A23-R25 VanDerWaalsContact C-N 3.32Å; A23-R25 PolarHBondContact O-N 3.24Å
26R54.6Low48.9Very low237 Ų237147.5 Ų147.589%0.89471%0.712SS**G310 helixtrans-1041.8-171-73.2-168.5-168.9-166.53.7116.8F24F24-R26 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.36Å
27L50.4Low49Very low156 Ų156149.1 Ų149.182%0.81771%0.711SS**SBendtrans-126.216.5-165.6-98159.4000117.6
28L46.7Very low49.5Very low109 Ų109145.7 Ų145.757%0.57170%0.702SS**  trans-132.997.6179.7-80156.5000112.3L31 I36L28-L31 HydrophobicContact CD2-CD1 3.78Å; L28-I36 HydrophobicContact CD1-CD1 4.39Å
29P45.8Very low50.1Low106 Ų106141 Ų14169%0.68869%0.687SS**SBendtrans-87.515214835-25.3000109
30L56.8Low50.4Low173 Ų173136 Ų13691%0.90667%0.666SS**SBendtrans69.448.2170.3-53.8168.8000116.7
31L54.5Low50.8Low109 Ų109135.2 Ų135.257%0.57166%0.658SS**  trans-141.7129.5158.8-96.5151.8000109.8L28 R33 I36L28-L31 HydrophobicContact CD2-CD1 3.78Å; L31-R33 PolarHBondContact O-N 3.33Å; L31-I36 HydrophobicContact CB-CD1 3.87Å; L31-I36 HydrophobicContact CB-CG1 4.36Å
32D56Low50.9Low100 Ų100134.7 Ų134.754%0.53566%0.664SS.*  trans-48.5121.1178178.19.8000110.6S34 A35 I36D32-S34 VanDerWaalsContact CG-OG 3.25Å; D32-S34 PolarHBondContact O-N 3.34Å; D32-S34 VanDerWaalsContact O-N 3.09Å; D32-S34 WeakPolarHBondContact OD1-CB 3.46Å; D32-S34 PolarHBondContact OD1-N 2.83Å; D32-S34 PolarHBondContact OD1-OG 2.82Å; D32-S34 PolarHBondContact OD2-OG 3.04Å; D32-A35 HydrophobicContact CB-CB 4.45Å; D32-A35 PolarHBondContact O-N 3.05Å; D32-I36 PolarHBondContact O-N 3.34Å
33R54.1Low50.8Low219 Ų219129 Ų12983%0.82665%0.651SS**Hα-helixtrans-58.4-23.4-179.9-73.6-176.7171.4-175.3-0.5111.9L31L31-R33 PolarHBondContact O-N 3.33Å
34S57.7Low50.3Low64 Ų64131.4 Ų131.445%0.44864%0.642SS.*Hα-helixtrans-73.7-34.3178.190.60000112.8D32 K38D32-S34 VanDerWaalsContact CG-OG 3.25Å; D32-S34 PolarHBondContact O-N 3.34Å; D32-S34 VanDerWaalsContact O-N 3.09Å; D32-S34 WeakPolarHBondContact OD1-CB 3.46Å; D32-S34 PolarHBondContact OD1-N 2.83Å; D32-S34 PolarHBondContact OD1-OG 2.82Å; D32-S34 PolarHBondContact OD2-OG 3.04Å; S34-K38 PolarHBondContact O-N 3.49Å
35A55.4Low50.4Low40 Ų40126.4 Ų126.433%0.33163%0.633SS.*Hα-helixtrans-77.6-36.9-179.600000112.1D32 M37 K38 V39D32-A35 HydrophobicContact CB-CB 4.45Å; D32-A35 PolarHBondContact O-N 3.05Å; A35-M37 VanDerWaalsContact C-N 3.31Å; A35-M37 PolarHBondContact O-N 3.49Å; A35-K38 PolarHBondContact O-N 3.07Å; A35-K38 VanDerWaalsContact O-N 3.16Å; A35-V39 PolarHBondContact O-N 3.45Å
36I53.5Low50.3Low72 Ų72119.5 Ų119.537%0.36962%0.621SS.*Hα-helixtrans-65.8-34.7177.4-62.7172.2000111L28 L31 D32 K38 V39 H40L28-I36 HydrophobicContact CD1-CD1 4.39Å; L31-I36 HydrophobicContact CB-CD1 3.87Å; L31-I36 HydrophobicContact CB-CG1 4.36Å; D32-I36 PolarHBondContact O-N 3.34Å; I36-K38 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 2.89Å; I36-V39 PolarHBondContact O-N 3.42Å; I36-H40 WeakPolarHBondContact O-CB 3.26Å; I36-H40 PolarHBondContact O-N 3.16Å
37M49.9Very low49.9Very low153 Ų153113.1 Ų113.175%0.75461%0.609SS**Hα-helixtrans-68.4-31.5174.4-75.6-129.7-123.200113A35 G41A35-M37 VanDerWaalsContact C-N 3.31Å; A35-M37 PolarHBondContact O-N 3.49Å; M37-G41 PolarHBondContact O-N 2.94Å
38K53Low49.8Very low158 Ų158108.9 Ų108.969%0.68759%0.592SS**Hα-helixtrans-72.4-38.6175.3-74179.1178.61770112.3S34 A35 I36 G41 M42S34-K38 PolarHBondContact O-N 3.49Å; A35-K38 PolarHBondContact O-N 3.07Å; A35-K38 VanDerWaalsContact O-N 3.16Å; I36-K38 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 2.89Å; K38-G41 PolarHBondContact O-N 3.29Å; K38-M42 WeakPolarHBondContact O-CB 3.18Å; K38-M42 PolarHBondContact O-N 3.47Å
39V54.9Low50Low98 Ų98111 Ų11159%0.59460%0.604SS**Hα-helixtrans-72.6-33.4175.2-178.60000111.3A35 I36 M42 L43A35-V39 PolarHBondContact O-N 3.45Å; I36-V39 PolarHBondContact O-N 3.42Å; V39-M42 PolarHBondContact O-N 2.84Å; V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 PolarHBondContact O-N 2.99Å
40H43.6Very low50.4Low84 Ų84113.6 Ų113.639%0.38961%0.607SS.*Hα-helixtrans-69.8-34.6173.1-164.6-102000112.5W21 I36 W44W21-H40 AromaticContact CH2-CD2 3.71Å; W21-H40 AromaticContact CH2-CE1 3.84Å; W21-H40 AromaticContact CH2-NE2 2.82Å; W21-H40 WeakPolarHBondContact CH2-NE2 3.26Å; W21-H40 AromaticContact CZ2-NE2 3.8Å; W21-H40 AromaticContact CZ3-CD2 3.95Å; W21-H40 AromaticContact CZ3-CE1 3.9Å; W21-H40 AromaticContact CZ3-NE2 3.1Å; W21-H40 WeakPolarHBondContact CZ3-NE2 3.1Å; I36-H40 WeakPolarHBondContact O-CB 3.26Å; I36-H40 PolarHBondContact O-N 3.16Å; H40-W44 AromaticContact CD2-CD1 3.77Å; H40-W44 AromaticContact CD2-NE1 3.68Å; H40-W44 AromaticContact CE1-CD1 3.52Å; H40-W44 AromaticContact CE1-NE1 3.29Å; H40-W44 PolarHBondContact CE1-NE1 2.93Å; H40-W44 VanDerWaalsContact CE1-NE1 3.29Å; H40-W44 AromaticContact ND1-CD1 3.92Å; H40-W44 AromaticContact NE2-CD1 3.41Å; H40-W44 AromaticContact NE2-NE1 2.94Å; H40-W44 PolarHBondContact NE2-NE1 3.42Å; H40-W44 WeakPolarHBondContact O-CB 3.25Å; H40-W44 VanDerWaalsContact O-CD1 3.22Å; H40-W44 PolarHBondContact O-N 2.87Å
41G47.1Very low50.1Low46 Ų46110.7 Ų110.747%0.47460%0.599SS.*Hα-helixtrans-68-34.6171.300000113.2M37 K38 A45M37-G41 PolarHBondContact O-N 2.94Å; K38-G41 PolarHBondContact O-N 3.29Å; G41-A45 WeakPolarHBondContact O-CB 2.82Å; G41-A45 PolarHBondContact O-N 3.36Å
42M44.8Very low49.8Very low154 Ų154112.8 Ų112.876%0.75961%0.61SS**Hα-helixtrans-81.6-30.4-179.5-101166.115800114.3K38 V39K38-M42 WeakPolarHBondContact O-CB 3.18Å; K38-M42 PolarHBondContact O-N 3.47Å; V39-M42 PolarHBondContact O-N 2.84Å
43L45.9Very low49.5Very low124 Ų124112.7 Ų112.765%0.64962%0.617SS**Hα-helixtrans-80-25.4177-145.584.6000112.6V39V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 PolarHBondContact O-N 2.99Å
44W39.7Very low49.5Very low141 Ų141111.4 Ų111.453%0.53461%0.613SS.*Hα-helixtrans-85.2-15.9173.4-8085.6000113.7W21 H40 S46 S48W21-W44 AromaticContact CE2-CZ2 3.87Å; W21-W44 HydrophobicContact CH2-CZ2 4.24Å; W21-W44 AromaticContact CH2-NE1 3.77Å; W21-W44 AromaticContact CZ2-CE2 3.88Å; W21-W44 AromaticContact CZ2-CZ2 3.39Å; W21-W44 HydrophobicContact CZ2-CZ2 3.39Å; W21-W44 AromaticContact CZ2-NE1 3.76Å; H40-W44 AromaticContact CD2-CD1 3.77Å; H40-W44 AromaticContact CD2-NE1 3.68Å; H40-W44 AromaticContact CE1-CD1 3.52Å; H40-W44 AromaticContact CE1-NE1 3.29Å; H40-W44 PolarHBondContact CE1-NE1 2.93Å; H40-W44 VanDerWaalsContact CE1-NE1 3.29Å; H40-W44 AromaticContact ND1-CD1 3.92Å; H40-W44 AromaticContact NE2-CD1 3.41Å; H40-W44 AromaticContact NE2-NE1 2.94Å; H40-W44 PolarHBondContact NE2-NE1 3.42Å; H40-W44 WeakPolarHBondContact O-CB 3.25Å; H40-W44 VanDerWaalsContact O-CD1 3.22Å; H40-W44 PolarHBondContact O-N 2.87Å; W44-S46 VanDerWaalsContact C-N 3.3Å; W44-S48 PolarHBondContact O-N 2.94Å
45A43.8Very low49.3Very low71 Ų71113.5 Ų113.559%0.58762%0.623SS**THydrogen-bonded Turntrans-78.9-917300000113.8G41 S48G41-A45 WeakPolarHBondContact O-CB 2.82Å; G41-A45 PolarHBondContact O-N 3.36Å; A45-S48 PolarHBondContact O-OG 3.04Å
46S47.6Very low49.2Very low95 Ų95115 Ų11566%0.66463%0.628SS**THydrogen-bonded Turntrans-102.63.3174.889.70000113.7W44W44-S46 VanDerWaalsContact C-N 3.3Å
47T47.1Very low49Very low103 Ų103115.4 Ų115.463%0.63264%0.637SS**SBendtrans-13413.3175.8-7.30000113N49T47-N49 VanDerWaalsContact C-N 3.32Å; T47-N49 PolarHBondContact O-N 3.36Å
48S47.8Very low49.3Very low67 Ų67115 Ų11547%0.46963%0.633SS.*  trans-67.399.9154.845.40000106.7W44 A45 E50W44-S48 PolarHBondContact O-N 2.94Å; A45-S48 PolarHBondContact O-OG 3.04Å; S48-E50 PolarHBondContact O-N 2.89Å
49N51.5Low49.4Very low155 Ų155115 Ų11583%0.82964%0.641SS**  trans-56.873.1143.8-67.4-32.8000106.2T47 P51T47-N49 VanDerWaalsContact C-N 3.32Å; T47-N49 PolarHBondContact O-N 3.36Å; N49-P51 VanDerWaalsContact O-CD 3.29Å; N49-P51 WeakPolarHBondContact O-CD 3.5Å; N49-P51 VanDerWaalsContact O-N 3.11Å
50E53Low49.4Very low159 Ų159117.7 Ų117.774%0.74365%0.651SS**  trans-53.6116.2149.4-74.2-166.2153.300102.5S48 L52S48-E50 PolarHBondContact O-N 2.89Å; E50-L52 PolarHBondContact O-N 2.83Å
51P50.8Low50.3Low113 Ų113120.1 Ų120.173%0.73466%0.663SS**  trans-52.9121.5164.325.2-29.4000102.4N49 S53N49-P51 VanDerWaalsContact O-CD 3.29Å; N49-P51 WeakPolarHBondContact O-CD 3.5Å; N49-P51 VanDerWaalsContact O-N 3.11Å; P51-S53 PolarHBondContact O-N 3.25Å
52L48.1Very low50.8Low152 Ų152123 Ų12380%0.79667%0.673SS**  trans-42.8105.5160.1-78.6168.5000102.6E50 Y54E50-L52 PolarHBondContact O-N 2.83Å; L52-Y54 PolarHBondContact O-N 2.86Å
53S49.6Very low51.6Low98 Ų98125.5 Ų125.569%0.68568%0.68SS**  trans-62.791161.555.4000099.4P51 V55P51-S53 PolarHBondContact O-N 3.25Å; S53-V55 PolarHBondContact O-N 3.31Å
54Y55Low52.3Low192 Ų192124.8 Ų124.875%0.75368%0.681SS**  trans-52.694.7151.4-121.1-92.3000100.2L52 V56L52-Y54 PolarHBondContact O-N 2.86Å; Y54-V56 WeakPolarHBondContact O-CG2 3.22Å; Y54-V56 PolarHBondContact O-N 3.3Å
55V53.8Low53.9Low109 Ų109124.5 Ų124.566%0.66169%0.694SS**  trans-56.994.3153.5179.4000099.6S53 S57S53-V55 PolarHBondContact O-N 3.31Å; V55-S57 PolarHBondContact O-N 2.87Å; V55-S57 PolarHBondContact O-OG 3.35Å
56V53.9Low55.5Low71 Ų71132.5 Ų132.543%0.4371%0.709SS.*  trans-62.898.5174.6178.90000101.4Y54 E58Y54-V56 WeakPolarHBondContact O-CG2 3.22Å; Y54-V56 PolarHBondContact O-N 3.3Å; V56-E58 HydrophobicContact CG1-CB 3.61Å; V56-E58 HydrophobicContact CG1-CG 3.26Å; V56-E58 WeakPolarHBondContact CG1-OE1 3.49Å; V56-E58 WeakPolarHBondContact CG1-OE2 3.47Å; V56-E58 PolarHBondContact O-N 2.81Å
57S49.2Very low57.1Low80 Ų80133.1 Ų133.156%0.55971%0.714SS**G310 helixtrans-65.928.7175.3-46.40000111V55 D59 L60V55-S57 PolarHBondContact O-N 2.87Å; V55-S57 PolarHBondContact O-OG 3.35Å; S57-D59 PolarHBondContact O-N 2.72Å; S57-L60 PolarHBondContact O-N 2.86Å
58E55.1Low58.9Low144 Ų144136.5 Ų136.567%0.67372%0.722SS**G310 helixtrans-64.2-23173-83.6167.2-169.200110.6V56 L60 Q61V56-E58 HydrophobicContact CG1-CB 3.61Å; V56-E58 HydrophobicContact CG1-CG 3.26Å; V56-E58 WeakPolarHBondContact CG1-OE1 3.49Å; V56-E58 WeakPolarHBondContact CG1-OE2 3.47Å; V56-E58 PolarHBondContact O-N 2.81Å; E58-L60 PolarHBondContact O-N 2.54Å; E58-Q61 PolarHBondContact O-N 2.83Å
59D55.5Low60.8Low159 Ų159138.9 Ų138.985%0.8574%0.736SS**G310 helixtrans-74-7.3175.4-67.3-20000113.9S57S57-D59 PolarHBondContact O-N 2.72Å
60L55.6Low62.5Low154 Ų154138.2 Ų138.281%0.80674%0.737SS**G310 helixtrans-114.46178.2-83.8164.5000114.1S57 E58S57-L60 PolarHBondContact O-N 2.86Å; E58-L60 PolarHBondContact O-N 2.54Å
61Q61.1Low64.3Low136 Ų136137.1 Ų137.164%0.63674%0.741SS**SBendtrans-67.2133.7162.2-61.8-133.4-10.100107.7E58 K63E58-Q61 PolarHBondContact O-N 2.83Å; Q61-K63 PolarHBondContact O-N 2.8Å
62P58.9Low66.1Low106 Ų106135.1 Ų135.169%0.68873%0.73SS**  trans-50.3137.5171.323.9-32.5000106.9T64P62-T64 PolarHBondContact O-N 2.88Å; P62-T64 PolarHBondContact O-OG1 2.73Å
63K60Low68.1Low207 Ų207133.7 Ų133.790%0.973%0.728SS**  trans-55.686.5174-81.3177.7178.1173.50107.8Q61 V65Q61-K63 PolarHBondContact O-N 2.8Å; K63-V65 PolarHBondContact O-N 3.37Å
64T61.9Low70.2Confident108 Ų108136.6 Ų136.666%0.66373%0.73SS**  trans-59.9118.5173.3-59.10000104P62 R66P62-T64 PolarHBondContact O-N 2.88Å; P62-T64 PolarHBondContact O-OG1 2.73Å; T64-R66 PolarHBondContact O-N 3.44Å
65V73.4Confident71.9Confident136 Ų136131.8 Ų131.882%0.82472%0.718SS**  trans-54.1111.3178.9179.10000106.1K63 S67K63-V65 PolarHBondContact O-N 3.37Å; V65-S67 PolarHBondContact O-N 3Å; V65-S67 VanDerWaalsContact O-N 3.14Å
66R75.9Confident73.9Confident238 Ų238132.7 Ų132.790%0.89871%0.71SS**PPolyproline II helixtrans-60.7121.2176.4-69.8-176.9174.4176.2-2.1106.3T64T64-R66 PolarHBondContact O-N 3.44Å
67S82.1Confident75.8Confident108 Ų108134 Ų13476%0.75571%0.71SS**PPolyproline II helixtrans-59141.3170.853.30000109V65V65-S67 PolarHBondContact O-N 3Å; V65-S67 VanDerWaalsContact O-N 3.14Å
68E85.3Confident78Confident175 Ų175136.9 Ų136.982%0.81871%0.709SS**PPolyproline II helixtrans-59.4132.6174.9-64.3-17516900109.6V70E68-V70 PolarHBondContact O-N 3.04Å
69P86.8Confident79.9Confident117 Ų117133 Ų13376%0.7670%0.695SS**PPolyproline II helixtrans-66.2125.3179.426.4-32.5000110V71P69-V71 PolarHBondContact O-N 3.35Å
70V88.3Confident81.8Confident141 Ų141131 Ų13186%0.85568%0.68SS**  trans-81.4113.3171.8-178.60000108.3E68 S72E68-V70 PolarHBondContact O-N 3.04Å; V70-S72 PolarHBondContact O-N 3.39Å
71V89.5Confident83.7Confident135 Ų135131.8 Ų131.882%0.81867%0.673SS**  trans-87.6107.8176.4-178.10000108.6P69P69-V71 PolarHBondContact O-N 3.35Å
72S89Confident85.3Confident72 Ų72132.2 Ų132.250%0.50368%0.679SS.*  trans-99.9138.7172.165.60000111.1V70V70-S72 PolarHBondContact O-N 3.39Å
73T91.1Very high87.1Confident121 Ų121132.1 Ų132.174%0.74267%0.672SS**SBendtrans-96.2-23.8178.1-24.20000112.2D75 Y76T73-D75 VanDerWaalsContact C-N 3.33Å; T73-D75 PolarHBondContact O-N 2.89Å; T73-Y76 VanDerWaalsContact O-CB 3.31Å; T73-Y76 WeakPolarHBondContact O-CB 3.23Å; T73-Y76 PolarHBondContact O-N 3.13Å
74E92Very high88.9Confident160 Ų160127.8 Ų127.875%0.74867%0.665SS**THydrogen-bonded Turntrans-64.4-33.9-171.6-61.8-175.6-177.300113.8Y76 K77E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-K77 WeakPolarHBondContact O-CD 3.29Å; E74-K77 WeakPolarHBondContact O-CG 3.35Å
75D92.5Very high90.4Very high91 Ų91130.9 Ų130.949%0.48767%0.669SS.*THydrogen-bonded Turntrans-82.8-9.3-178.5-67.1-40.4000113T73 K77 W78T73-D75 VanDerWaalsContact C-N 3.33Å; T73-D75 PolarHBondContact O-N 2.89Å; D75-K77 PolarHBondContact O-N 3.31Å; D75-W78 WeakPolarHBondContact O-CB 3.37Å; D75-W78 VanDerWaalsContact O-CD1 3.25Å; D75-W78 PolarHBondContact O-N 3.02Å
76Y94.3Very high91.4Very high128 Ų128130.2 Ų130.250%0.50267%0.668SS.*Hα-helixtrans-63.6-24.3179.6-161.5-97.6000112.6T73 E74 W78 V79 E80T73-Y76 VanDerWaalsContact O-CB 3.31Å; T73-Y76 WeakPolarHBondContact O-CB 3.23Å; T73-Y76 PolarHBondContact O-N 3.13Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; Y76-W78 PolarHBondContact O-N 3.05Å; Y76-V79 HydrophobicContact CD2-CB 4.2Å; Y76-V79 HydrophobicContact CD2-CG2 4.19Å; Y76-V79 HydrophobicContact CE2-CB 4.19Å; Y76-V79 HydrophobicContact CE2-CG1 4.11Å; Y76-V79 HydrophobicContact CE2-CG2 4.42Å; Y76-V79 HydrophobicContact CG-CB 4.47Å; Y76-V79 WeakPolarHBondContact O-CA 3.27Å; Y76-V79 VanDerWaalsContact O-CB 3.31Å; Y76-V79 WeakPolarHBondContact O-CB 2.95Å; Y76-V79 PolarHBondContact O-N 3.35Å; Y76-E80 HydrophobicContact CD1-CG 3.93Å; Y76-E80 HydrophobicContact CE1-CG 4.05Å; Y76-E80 PolarHBondContact O-N 2.8Å
77K94.6Very high92.3Very high98 Ų98125.7 Ų125.743%0.42666%0.661SS.*Hα-helixtrans-54.3-27171.872.3-169.1173.7-161.10113.6E74 D75 R81E74-K77 WeakPolarHBondContact O-CD 3.29Å; E74-K77 WeakPolarHBondContact O-CG 3.35Å; D75-K77 PolarHBondContact O-N 3.31Å; K77-R81 WeakPolarHBondContact O-CG 3.34Å
78W94.9Very high93Very high140 Ų140123.3 Ų123.353%0.5364%0.639SS.*Hα-helixtrans-78-31.3176.6-58.8112.7000111.6D75 Y76D75-W78 WeakPolarHBondContact O-CB 3.37Å; D75-W78 VanDerWaalsContact O-CD1 3.25Å; D75-W78 PolarHBondContact O-N 3.02Å; Y76-W78 PolarHBondContact O-N 3.05Å
79V94.9Very high93.4Very high63 Ų63119 Ų11938%0.38263%0.626SS.*Hα-helixtrans-70.4-41.3172.6-175.70000110.5Y76 R81 L82 L83Y76-V79 HydrophobicContact CD2-CB 4.2Å; Y76-V79 HydrophobicContact CD2-CG2 4.19Å; Y76-V79 HydrophobicContact CE2-CB 4.19Å; Y76-V79 HydrophobicContact CE2-CG1 4.11Å; Y76-V79 HydrophobicContact CE2-CG2 4.42Å; Y76-V79 HydrophobicContact CG-CB 4.47Å; Y76-V79 WeakPolarHBondContact O-CA 3.27Å; Y76-V79 VanDerWaalsContact O-CB 3.31Å; Y76-V79 WeakPolarHBondContact O-CB 2.95Å; Y76-V79 PolarHBondContact O-N 3.35Å; V79-R81 VanDerWaalsContact C-N 3.26Å; V79-R81 PolarHBondContact O-N 2.88Å; V79-L82 WeakPolarHBondContact O-CB 3.48Å; V79-L82 PolarHBondContact O-N 2.83Å; V79-L83 PolarHBondContact O-N 2.76Å
80E95.3Very high93.8Very high117 Ų117120.3 Ų120.355%0.54763%0.626SS.*Hα-helixtrans-56.6-37.7178.9-70.6180176.400113.1Y76 L82 L83Y76-E80 HydrophobicContact CD1-CG 3.93Å; Y76-E80 HydrophobicContact CE1-CG 4.05Å; Y76-E80 PolarHBondContact O-N 2.8Å; E80-L82 PolarHBondContact O-N 2.87Å; E80-L83 WeakPolarHBondContact O-CB 3.48Å; E80-L83 PolarHBondContact O-N 2.8Å
81R95Very high94Very high170 Ų170116 Ų11664%0.64260%0.6SS**THydrogen-bonded Turntrans-67.3-21.6178.2-66.1173.2-171.5-171.22.5113.5K77 V79K77-R81 WeakPolarHBondContact O-CG 3.34Å; V79-R81 VanDerWaalsContact C-N 3.26Å; V79-R81 PolarHBondContact O-N 2.88Å
82L96.5Very high94.2Very high146 Ų146113.5 Ų113.576%0.76459%0.587SS**THydrogen-bonded Turntrans-86.2-15.2178.6-59.3174.6000112.1V79 E80V79-L82 WeakPolarHBondContact O-CB 3.48Å; V79-L82 PolarHBondContact O-N 2.83Å; E80-L82 PolarHBondContact O-N 2.87Å
83L96.1Very high94.3Very high103 Ų103118.5 Ų118.554%0.53961%0.607SS.*SBendtrans-67.5135.7178-61.8177.6000110.3V79 E80V79-L83 PolarHBondContact O-N 2.76Å; E80-L83 WeakPolarHBondContact O-CB 3.48Å; E80-L83 PolarHBondContact O-N 2.8Å
84P96.7Very high94.4Very high117 Ų117116.8 Ų116.876%0.7659%0.591SS**PPolyproline II helixtrans-68.8142.4178.428.9-34.4000110.8
85K94.5Very high94.5Very high172 Ų172116.2 Ų116.275%0.74860%0.598SS**PPolyproline II helixtrans-73.3127.4172.3-64.2-177.7-178.8-1790109.4L87K85-L87 VanDerWaalsContact C-N 3.33Å
86P94.3Very high94.6Very high123 Ų123122 Ų12280%0.79961%0.613SS**SBendtrans-73-28.7-178.628.1-34.3000112.5
87L95.3Very high94.6Very high143 Ų143120.6 Ų120.675%0.74961%0.61SS**SBendtrans-108.4147.6-179-60178.3000110.4K85K85-L87 VanDerWaalsContact C-N 3.33Å
88I95.2Very high94.6Very high57 Ų57119.8 Ų119.829%0.29261%0.614SS.*PPolyproline II helixtrans-69.2131.4172.1-54.8163.6000107R121 F122I88-R121 HydrophobicContact CD1-CB 3.58Å; I88-R121 HydrophobicContact CD1-CG 3.78Å; I88-R121 WeakPolarHBondContact CD1-O 3.42Å; I88-F122 HydrophobicContact CD1-CD1 4.48Å; I88-F122 HydrophobicContact CD1-CE1 4.42Å
89P95.2Very high94.6Very high84 Ų84113.8 Ų113.855%0.54559%0.593SS.*PPolyproline II helixtrans-66.8146.8177.929.2-35.4000110.7
90D93.8Very high94.6Very high145 Ų145117.9 Ų117.978%0.77562%0.621SS**PPolyproline II helixtrans-64.1156168.9-63.8-42.8000111
91V93.3Very high94.5Very high50 Ų50117.3 Ų117.330%0.30363%0.63SS.*PPolyproline II helixtrans-69.6128-179.4-172.20000109.9W103 H123V91-W103 HydrophobicContact CB-CH2 4.22Å; V91-W103 HydrophobicContact CG1-CE3 4.39Å; V91-W103 HydrophobicContact CG1-CH2 3.53Å; V91-W103 HydrophobicContact CG1-CZ2 4.14Å; V91-W103 HydrophobicContact CG1-CZ3 3.67Å; V91-W103 HydrophobicContact CG2-CH2 4.13Å; V91-W103 HydrophobicContact CG2-CZ2 4.1Å; V91-H123 HydrophobicContact CG2-CB 3.86Å; V91-H123 WeakPolarHBondContact CG2-CD2 3.29Å
92P93.3Very high94.5Very high84 Ų84111.5 Ų111.555%0.54562%0.623SS.*PPolyproline II helixtrans-63.4142.7174.726.7-34.3000111.2H94P92-H94 PolarHBondContact O-N 2.92Å
93L92.4Very high94.4Very high176 Ų176106.6 Ų106.692%0.92159%0.594SS**PPolyproline II helixtrans-72.5127.8175.7-61176.4000109.8
94H93.3Very high94.4Very high86 Ų86104.8 Ų104.840%0.39859%0.585SS.*  trans-116.2144.3177-63.4-56000110.6P92 F97 T99P92-H94 PolarHBondContact O-N 2.92Å; H94-F97 HydrophobicContact CB-CE1 3.84Å; H94-F97 HydrophobicContact CB-CZ 4.02Å; H94-T99 VanDerWaalsContact CD2-CG2 3.41Å; H94-T99 WeakPolarHBondContact CD2-CG2 3.5Å
95T93.9Very high94.2Very high147 Ų147101.1 Ų101.190%0.90256%0.561SS**SBendtrans-75.7-25.5179.8-43.50000113
96R94.6Very high94.2Very high214 Ų21495.2 Ų95.281%0.80854%0.54SS*.SBendtrans-132.9139.7-176.8-63.5-177-176.8175.31110.2
97F92.7Very high94.1Very high97 Ų9795.8 Ų95.843%0.42553%0.53SS..SBendtrans-124.8149.1173.6-60.9-70.2000109.4H94 T99 W103 P105H94-F97 HydrophobicContact CB-CE1 3.84Å; H94-F97 HydrophobicContact CB-CZ 4.02Å; F97-T99 HydrophobicContact CD1-CG2 4.38Å; F97-W103 HydrophobicContact CE1-CE3 4.4Å; F97-W103 AromaticContact CE1-CZ3 3.99Å; F97-W103 HydrophobicContact CE1-CZ3 3.99Å; F97-P105 HydrophobicContact CD1-CG 4.03Å; F97-P105 HydrophobicContact CD2-CG 4.1Å; F97-P105 VanDerWaalsContact CE1-CD 3.47Å; F97-P105 HydrophobicContact CE1-CG 3.81Å; F97-P105 HydrophobicContact CE2-CG 3.89Å; F97-P105 HydrophobicContact CG-CG 4.16Å; F97-P105 HydrophobicContact CZ-CG 3.73Å
98P94.9Very high93.8Very high81 Ų8196.8 Ų96.853%0.52654%0.536SS..SBendcis-65157.6-5.628.7-35.5000113W103 I104P98-W103 WeakPolarHBondContact CA-O 3.49Å; P98-I104 HydrophobicContact CB-CD1 4.09Å; P98-I104 HydrophobicContact CB-CG1 3.72Å
99T94.9Very high93.3Very high14 Ų14102.4 Ų102.49%0.08655%0.554CS.*  trans-65.8166168.960.90000110.4H94 F97 S101 G102 W103H94-T99 VanDerWaalsContact CD2-CG2 3.41Å; H94-T99 WeakPolarHBondContact CD2-CG2 3.5Å; F97-T99 HydrophobicContact CD1-CG2 4.38Å; T99-S101 PolarHBondContact O-N 3.43Å; T99-S101 PolarHBondContact OG1-OG 2.84Å; T99-G102 WeakPolarHBondContact O-CA 3.35Å; T99-G102 PolarHBondContact O-N 3.48Å; T99-W103 HydrophobicContact CG2-CE3 4.21Å; T99-W103 PolarHBondContact N-O 3.03Å; T99-W103 WeakPolarHBondContact OG1-CB 3.32Å; T99-W103 PolarHBondContact OG1-N 2.72Å; T99-W103 PolarHBondContact OG1-O 3.42Å
100P96Very high92.7Very high150 Ų150101.3 Ų101.397%0.97455%0.547SS*.THydrogen-bonded Turntrans-56.1-24.7173.9-27.335.9000114.2G102P100-G102 VanDerWaalsContact C-N 3.27Å
101S93.5Very high92.2Very high105 Ų10598.8 Ų98.873%0.73455%0.547SS*.THydrogen-bonded Turntrans-80.1-2172.957.10000114.4T99 W103T99-S101 PolarHBondContact O-N 3.43Å; T99-S101 PolarHBondContact OG1-OG 2.84Å; S101-W103 VanDerWaalsContact C-N 3.34Å
102G93.3Very high91.9Very high48 Ų48105.1 Ų105.150%0.49557%0.573SS.*  trans82.16.1-176.200000114.7T99 P100T99-G102 WeakPolarHBondContact O-CA 3.35Å; T99-G102 PolarHBondContact O-N 3.48Å; P100-G102 VanDerWaalsContact C-N 3.27Å
103W95.4Very high91.7Very high42 Ų42104.1 Ų104.116%0.15957%0.567CS.*  trans-76.9138.3-177.9-175.288.1000111.6V91 F97 P98 T99 S101 P105 H123V91-W103 HydrophobicContact CB-CH2 4.22Å; V91-W103 HydrophobicContact CG1-CE3 4.39Å; V91-W103 HydrophobicContact CG1-CH2 3.53Å; V91-W103 HydrophobicContact CG1-CZ2 4.14Å; V91-W103 HydrophobicContact CG1-CZ3 3.67Å; V91-W103 HydrophobicContact CG2-CH2 4.13Å; V91-W103 HydrophobicContact CG2-CZ2 4.1Å; F97-W103 HydrophobicContact CE1-CE3 4.4Å; F97-W103 AromaticContact CE1-CZ3 3.99Å; F97-W103 HydrophobicContact CE1-CZ3 3.99Å; P98-W103 WeakPolarHBondContact CA-O 3.49Å; T99-W103 HydrophobicContact CG2-CE3 4.21Å; T99-W103 PolarHBondContact N-O 3.03Å; T99-W103 WeakPolarHBondContact OG1-CB 3.32Å; T99-W103 PolarHBondContact OG1-N 2.72Å; T99-W103 PolarHBondContact OG1-O 3.42Å; S101-W103 VanDerWaalsContact C-N 3.34Å; W103-P105 HydrophobicContact CH2-CB 3.53Å; W103-P105 HydrophobicContact CH2-CG 4.41Å; W103-P105 HydrophobicContact CZ2-CB 4.37Å; W103-P105 HydrophobicContact CZ3-CB 3.83Å; W103-P105 HydrophobicContact CZ3-CG 4.22Å; W103-H123 HydrophobicContact CZ2-CB 4.06Å; W103-H123 PolarHBondContact NE1-O 3Å
104I95.1Very high91.8Very high65 Ų6599.5 Ų99.533%0.33355%0.548SS..  trans-129.5131.3178-61.6171.2000108.1P98 R119 L203P98-I104 HydrophobicContact CB-CD1 4.09Å; P98-I104 HydrophobicContact CB-CG1 3.72Å; I104-R119 PolarHBondContact O-NH1 3.39Å; I104-R119 PolarHBondContact O-NH2 2.96Å; I104-L203 HydrophobicContact CB-CD2 4.37Å; I104-L203 HydrophobicContact CD1-CD2 4.09Å
105P94.4Very high91.9Very high40 Ų4096.1 Ų96.126%0.2653%0.532SS..PPolyproline II helixtrans-65149.3175.827.7-34.9000110.9F97 W103F97-P105 HydrophobicContact CD1-CG 4.03Å; F97-P105 HydrophobicContact CD2-CG 4.1Å; F97-P105 VanDerWaalsContact CE1-CD 3.47Å; F97-P105 HydrophobicContact CE1-CG 3.81Å; F97-P105 HydrophobicContact CE2-CG 3.89Å; F97-P105 HydrophobicContact CG-CG 4.16Å; F97-P105 HydrophobicContact CZ-CG 3.73Å; W103-P105 HydrophobicContact CH2-CB 3.53Å; W103-P105 HydrophobicContact CH2-CG 4.41Å; W103-P105 HydrophobicContact CZ2-CB 4.37Å; W103-P105 HydrophobicContact CZ3-CB 3.83Å; W103-P105 HydrophobicContact CZ3-CG 4.22Å
106P94.2Very high92Very high49 Ų4991.4 Ų91.432%0.31850%0.498SS..PPolyproline II helixtrans-60.4147.7170.629.3-35.4000110.2F207P106-F207 WeakPolarHBondContact CB-OXT 3.45Å
107K92.1Very high92.1Very high135 Ų13581.2 Ų81.259%0.58746%0.459SS*.PPolyproline II helixtrans-69.4161.2168.3-64.7178.5-172.3161.30109.6R109 G206K107-R109 PolarHBondContact O-N 3.07Å; K107-G206 WeakPolarHBondContact CB-O 3.41Å; K107-G206 PolarHBondContact N-O 3.19Å
108D88.2Confident92.2Very high164 Ų16482.2 Ų82.288%0.87746%0.46SS*.PPolyproline II helixtrans-55.7138.3174.3-67.9-40.4000110.8C110D108-C110 PolarHBondContact O-N 2.91Å
109R85.2Confident92.2Very high174 Ų17479.3 Ų79.366%0.65744%0.439SS*.  trans-61.2113.7-176.8-175.9-178.4178.3-174.92.6109.7K107 A111 Y116K107-R109 PolarHBondContact O-N 3.07Å; R109-A111 PolarHBondContact O-N 3.36Å; R109-Y116 HydrophobicContact CG-CD2 4.23Å; R109-Y116 HydrophobicContact CG-CE2 4.34Å
110C81.9Confident92.3Very high61 Ų6179.7 Ų79.741%0.41244%0.44SS..  trans-64.2114.6170.4165.40000110.2D108 H112 C113D108-C110 PolarHBondContact O-N 2.91Å; C110-H112 PolarHBondContact O-N 3.22Å; C110-C113 HydrophobicContact CB-CB 3.78Å; C110-C113 WeakPolarHBondContact CB-SG 3.32Å; C110-C113 PolarHBondContact O-N 3.07Å; C110-C113 WeakPolarHBondContact SG-CB 3.33Å; C110-C113 PolarHBondContact SG-N 3.02Å; C110-C113 CovalentContact SG-SG 2.06Å; C110-C113 PolarHBondContact SG-SG 3.11Å
111A83.4Confident92.2Very high93 Ų9380.3 Ų80.377%0.76942%0.423SS*.THydrogen-bonded Turntrans-65.2-25.4-178.100000113.9R109R109-A111 PolarHBondContact O-N 3.36Å
112H88.2Confident92.3Very high182 Ų18281.3 Ų81.384%0.84342%0.415SS*.THydrogen-bonded Turntrans-100.92.6-174.6-59.889.3000113.6C110C110-H112 PolarHBondContact O-N 3.22Å
113C88.7Confident92.4Very high64 Ų6482 Ų8243%0.43241%0.405SS..  trans-80.5133.5-176.8-71.50000109.9C110 Y115C110-C113 HydrophobicContact CB-CB 3.78Å; C110-C113 WeakPolarHBondContact CB-SG 3.32Å; C110-C113 PolarHBondContact O-N 3.07Å; C110-C113 WeakPolarHBondContact SG-CB 3.33Å; C110-C113 PolarHBondContact SG-N 3.02Å; C110-C113 CovalentContact SG-SG 2.06Å; C110-C113 PolarHBondContact SG-SG 3.11Å; C113-Y115 PolarHBondContact O-N 3.44Å
114P94.4Very high92.4Very high78 Ų7884.2 Ų84.251%0.50642%0.419SS..SBendtrans-65.4-25.8-170.722.8-32.1000113.4D157 A160P114-D157 HydrophobicContact CB-CB 4.41Å; P114-D157 PolarHBondContact O-N 2.64Å; P114-A160 HydrophobicContact CB-CB 4.32Å; P114-A160 HydrophobicContact CG-CB 4.36Å
115Y95.6Very high92.4Very high16 Ų1682.1 Ų82.16%0.06341%0.408CS..EExtended strand (participates in β ladder)trans-140.4162.9178.260.6-93.1000111.2C113 E155 D157 A160 C161 D164 F207C113-Y115 PolarHBondContact O-N 3.44Å; Y115-E155 CarbonylContact C-O 3.57Å; Y115-E155 WeakPolarHBondContact CA-O 3.33Å; Y115-E155 WeakPolarHBondContact CB-O 3.41Å; Y115-D157 WeakPolarHBondContact CB-O 3.44Å; Y115-A160 HydrophobicContact CD1-CB 3.88Å; Y115-A160 HydrophobicContact CE1-CB 4.2Å; Y115-C161 HydrophobicContact CD1-CB 3.79Å; Y115-C161 HydrophobicContact CD2-CB 3.57Å; Y115-C161 VanDerWaalsContact CE1-CA 3.5Å; Y115-C161 HydrophobicContact CE1-CB 4.05Å; Y115-C161 HydrophobicContact CE2-CB 3.82Å; Y115-C161 HydrophobicContact CG-CB 3.57Å; Y115-D164 WeakPolarHBondContact CE1-OD2 3.44Å; Y115-D164 WeakPolarHBondContact OH-CB 3.4Å; Y115-D164 PolarHBondContact OH-OD2 2.96Å; Y115-D164 VanDerWaalsContact OH-OD2 3.09Å; Y115-F207 AromaticContact CD2-CZ 3.92Å; Y115-F207 HydrophobicContact CD2-CZ 3.92Å; Y115-F207 AromaticContact CE2-CE2 3.8Å; Y115-F207 HydrophobicContact CE2-CE2 3.8Å; Y115-F207 AromaticContact CE2-CZ 3.48Å; Y115-F207 HydrophobicContact CE2-CZ 3.48Å; Y115-F207 VanDerWaalsContact CE2-CZ 3.48Å
116Y95.7Very high92.6Very high47 Ų4780.2 Ų80.218%0.18440%0.396CS..EExtended strand (participates in β ladder)trans-142.8135.6177.5179.2-108.1000110.3R109 R118 E155 F207R109-Y116 HydrophobicContact CG-CD2 4.23Å; R109-Y116 HydrophobicContact CG-CE2 4.34Å; Y116-R118 HydrophobicContact CD1-CB 4.45Å; Y116-R118 HydrophobicContact CE1-CB 4.05Å; Y116-R118 HydrophobicContact CE1-CG 4.33Å; Y116-E155 PolarHBondContact N-O 3.27Å; Y116-E155 PolarHBondContact O-N 3.48Å; Y116-F207 AromaticContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CE1 4.13Å; Y116-F207 HydrophobicContact CE2-CD1 4.2Å
117V96.2Very high92.7Very high1 Ų178 Ų781%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-105112177-177.40000109.3P126 L151 V154 L202 F207V117-P126 HydrophobicContact CG1-CG 3.64Å; V117-L151 HydrophobicContact CG1-CD2 4.07Å; V117-L151 HydrophobicContact CG2-CD2 4.25Å; V117-V154 HydrophobicContact CG2-CG2 4.41Å; V117-L202 HydrophobicContact CB-CD2 3.93Å; V117-L202 HydrophobicContact CG1-CD1 4.38Å; V117-L202 HydrophobicContact CG1-CD2 3.92Å; V117-L202 HydrophobicContact CG2-CD2 3.84Å; V117-F207 HydrophobicContact CB-CB 4.18Å; V117-F207 HydrophobicContact CB-CD1 4.39Å; V117-F207 HydrophobicContact CB-CD2 4.41Å; V117-F207 HydrophobicContact CB-CG 4.09Å; V117-F207 HydrophobicContact CG2-CD2 4.34Å; V117-F207 HydrophobicContact CG2-CG 4.46Å
118R95.2Very high93Very high118 Ų11876 Ų7645%0.44537%0.37SS..  trans-81.2133.1-176-167.9174.671.599.1-9.8112.1Y116 P126 K153 E155Y116-R118 HydrophobicContact CD1-CB 4.45Å; Y116-R118 HydrophobicContact CE1-CB 4.05Å; Y116-R118 HydrophobicContact CE1-CG 4.33Å; R118-P126 WeakPolarHBondContact O-CG 3.41Å; R118-K153 HydrophobicContact CB-CB 4.29Å; R118-K153 HydrophobicContact CB-CD 4.49Å; R118-K153 PolarHBondContact N-O 2.63Å; R118-K153 VanDerWaalsContact N-O 3.1Å; R118-E155 WeakPolarHBondContact CD-OE1 3.43Å; R118-E155 IonicContact NE-OE1 2.73Å
119R95.6Very high93.4Very high19 Ų1971.4 Ų71.47%0.07235%0.351CS..  trans-57.9156.9170.4-63.2-65.4-173.2110.7-1.7112.5I104 H123 L124 F125 K153 F207I104-R119 PolarHBondContact O-NH1 3.39Å; I104-R119 PolarHBondContact O-NH2 2.96Å; R119-H123 PolarHBondContact NH1-O 3.31Å; R119-L124 WeakPolarHBondContact CA-O 3.33Å; R119-F125 VanDerWaalsContact NE-CE1 3.26Å; R119-F125 VanDerWaalsContact NH2-CZ 3.26Å; R119-K153 PolarHBondContact O-NZ 2.88Å; R119-F207 PolarHBondContact NE-O 3.44Å; R119-F207 VanDerWaalsContact NE-O 3.15Å; R119-F207 PolarHBondContact NE-OXT 3.31Å; R119-F207 PolarHBondContact NH2-O 3.5Å
120N95.3Very high93.9Very high23 Ų2365.7 Ų65.712%0.12333%0.332CS..  trans-76.1176.1174.777.812.7000111.6F122 H123 L124N120-F122 PolarHBondContact O-N 3.38Å; N120-F122 VanDerWaalsContact O-N 3.13Å; N120-F122 VanDerWaalsContact OD1-CA 3.26Å; N120-F122 WeakPolarHBondContact OD1-CA 3.36Å; N120-F122 WeakPolarHBondContact OD1-CB 3.45Å; N120-F122 PolarHBondContact OD1-N 3.46Å; N120-H123 PolarHBondContact O-N 3.08Å; N120-H123 PolarHBondContact OD1-N 3.35Å; N120-L124 PolarHBondContact N-O 3.42Å; N120-L124 PolarHBondContact OD1-N 3.07Å; N120-L124 PolarHBondContact OD1-O 2.95Å
121R94.9Very high94.6Very high162 Ų16268.5 Ų68.561%0.61134%0.342SS*.THydrogen-bonded Turntrans-63.1-16.9179.468.7179.9-74.71734113.5I88I88-R121 HydrophobicContact CD1-CB 3.58Å; I88-R121 HydrophobicContact CD1-CG 3.78Å; I88-R121 WeakPolarHBondContact CD1-O 3.42Å
122F94.7Very high95.1Very high127 Ų12769.1 Ų69.156%0.55732%0.324SS*.THydrogen-bonded Turntrans-10216.3177-52.6-65.9000111.9I88 N120 L124I88-F122 HydrophobicContact CD1-CD1 4.48Å; I88-F122 HydrophobicContact CD1-CE1 4.42Å; N120-F122 PolarHBondContact O-N 3.38Å; N120-F122 VanDerWaalsContact O-N 3.13Å; N120-F122 VanDerWaalsContact OD1-CA 3.26Å; N120-F122 WeakPolarHBondContact OD1-CA 3.36Å; N120-F122 WeakPolarHBondContact OD1-CB 3.45Å; N120-F122 PolarHBondContact OD1-N 3.46Å; F122-L124 HydrophobicContact CB-CG 4.48Å; F122-L124 PolarHBondContact O-N 3.26Å
123H94.9Very high95.4Very high61 Ų6168.4 Ų68.428%0.28231%0.314SS..SBendtrans62.119.4179.9-44.6-79.1000115.4V91 W103 R119 N120V91-H123 HydrophobicContact CG2-CB 3.86Å; V91-H123 WeakPolarHBondContact CG2-CD2 3.29Å; W103-H123 HydrophobicContact CZ2-CB 4.06Å; W103-H123 PolarHBondContact NE1-O 3Å; R119-H123 PolarHBondContact NH1-O 3.31Å; N120-H123 PolarHBondContact O-N 3.08Å; N120-H123 PolarHBondContact OD1-N 3.35Å
124L95.6Very high95.6Very high90 Ų9068.9 Ų68.947%0.47131%0.313SS..SBendtrans-98.6166.4175.3-52174.7000111.7R119 N120 F122R119-L124 WeakPolarHBondContact CA-O 3.33Å; N120-L124 PolarHBondContact N-O 3.42Å; N120-L124 PolarHBondContact OD1-N 3.07Å; N120-L124 PolarHBondContact OD1-O 2.95Å; F122-L124 HydrophobicContact CB-CG 4.48Å; F122-L124 PolarHBondContact O-N 3.26Å
125F96.5Very high95.5Very high21 Ų2169 Ų699%0.09231%0.312CS..  trans-64.5141.5174.4-66-60.3000112R119 V127 E199 L202 L203 F207R119-F125 VanDerWaalsContact NE-CE1 3.26Å; R119-F125 VanDerWaalsContact NH2-CZ 3.26Å; F125-V127 HydrophobicContact CB-CG2 3.98Å; F125-V127 PolarHBondContact O-N 3Å; F125-E199 HydrophobicContact CB-CG 4.48Å; F125-E199 HydrophobicContact CD2-CB 4.35Å; F125-E199 HydrophobicContact CD2-CG 4.16Å; F125-L202 HydrophobicContact CB-CD1 3.91Å; F125-L202 HydrophobicContact CD1-CB 3.71Å; F125-L202 HydrophobicContact CD1-CD1 3.57Å; F125-L202 HydrophobicContact CD1-CG 4.25Å; F125-L202 HydrophobicContact CE1-CB 3.48Å; F125-L202 VanDerWaalsContact CE1-CB 3.48Å; F125-L202 HydrophobicContact CE1-CD1 4.25Å; F125-L202 HydrophobicContact CE1-CG 4.45Å; F125-L202 HydrophobicContact CE2-CB 4.49Å; F125-L202 HydrophobicContact CG-CB 4.3Å; F125-L202 HydrophobicContact CG-CD1 3.85Å; F125-L202 HydrophobicContact CZ-CB 3.91Å; F125-L203 HydrophobicContact CE2-CD1 4.39Å; F125-L203 HydrophobicContact CE2-CD2 3.67Å; F125-L203 HydrophobicContact CE2-CG 3.64Å; F125-L203 HydrophobicContact CZ-CD2 3.67Å; F125-L203 HydrophobicContact CZ-CG 3.8Å; F125-F207 VanDerWaalsContact CE1-O 3.29Å; F125-F207 WeakPolarHBondContact CE1-O 3.4Å
126P97.2Very high95.5Very high0 Ų071.7 Ų71.70%033%0.327CS..  trans-79.545.1177.537-39.5000112V117 R118 Y128 K152 K153V117-P126 HydrophobicContact CG1-CG 3.64Å; R118-P126 WeakPolarHBondContact O-CG 3.41Å; P126-Y128 HydrophobicContact CB-CE2 4.48Å; P126-Y128 WeakPolarHBondContact O-CD2 3.13Å; P126-Y128 WeakPolarHBondContact O-CE2 3.47Å; P126-K152 HydrophobicContact CB-CB 4.31Å; P126-K152 WeakPolarHBondContact CB-O 3.32Å; P126-K152 WeakPolarHBondContact CG-O 3.41Å; P126-K152 PolarHBondContact O-N 3.02Å; P126-K153 HydrophobicContact CB-CB 4.24Å; P126-K153 HydrophobicContact CB-CD 4.1Å; P126-K153 HydrophobicContact CB-CG 4.12Å; P126-K153 HydrophobicContact CG-CB 4.27Å
127V97.8Very high95.3Very high2 Ų273.2 Ų73.21%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-105.8131.3-177.9-172.60000110.4F125 I150 K195 L198 E199 L202F125-V127 HydrophobicContact CB-CG2 3.98Å; F125-V127 PolarHBondContact O-N 3Å; V127-I150 CarbonylContact C-O 3.51Å; V127-I150 WeakPolarHBondContact CA-O 3.43Å; V127-K195 HydrophobicContact CB-CG 4.42Å; V127-K195 HydrophobicContact CG1-CB 4.34Å; V127-K195 HydrophobicContact CG1-CG 3.75Å; V127-K195 WeakPolarHBondContact O-CE 3.41Å; V127-L198 HydrophobicContact CG1-CB 3.72Å; V127-L198 HydrophobicContact CG1-CD1 3.75Å; V127-L198 HydrophobicContact CG1-CG 4.31Å; V127-L198 HydrophobicContact CG2-CB 4.17Å; V127-E199 HydrophobicContact CB-CG 4.24Å; V127-E199 HydrophobicContact CG2-CG 4.25Å; V127-L202 HydrophobicContact CG2-CD1 3.54Å
128Y97.5Very high95.2Very high92 Ų9284 Ų8436%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-134.6150.3-176.8-53.2-83000110.2P126 I150 K152P126-Y128 HydrophobicContact CB-CE2 4.48Å; P126-Y128 WeakPolarHBondContact O-CD2 3.13Å; P126-Y128 WeakPolarHBondContact O-CE2 3.47Å; Y128-I150 PolarHBondContact N-O 3.28Å; Y128-I150 PolarHBondContact O-N 3.23Å; Y128-K152 HydrophobicContact CD2-CD 3.85Å; Y128-K152 HydrophobicContact CD2-CG 4.05Å; Y128-K152 HydrophobicContact CE2-CB 4.34Å; Y128-K152 HydrophobicContact CE2-CD 3.68Å; Y128-K152 HydrophobicContact CE2-CG 4.07Å
129S97Very high95.1Very high69 Ų6987.7 Ų87.748%0.48340%0.401SS..EExtended strand (participates in β ladder)trans-98142.2164.650.20000109.7L148S129-L148 CarbonylContact C-O 3.49Å; S129-L148 WeakPolarHBondContact CA-O 3.47Å
130E96.2Very high95Very high53 Ų5390.7 Ų90.725%0.24842%0.422CS..EExtended strand (participates in β ladder)trans-133.6125.5175.2-176.1177.1-175.300108.1R132 L148 I150 R189E130-R132 HydrophobicContact CG-CG 4.06Å; E130-R132 IonicContact OE1-CZ 3.12Å; E130-R132 IonicContact OE1-NE 3.54Å; E130-R132 PolarHBondContact OE1-NE 2.94Å; E130-R132 IonicContact OE1-NH2 2.72Å; E130-R132 PolarHBondContact OE1-NH2 3.37Å; E130-R132 IonicContact OE2-CZ 3.84Å; E130-R132 IonicContact OE2-NE 2.88Å; E130-R132 IonicContact OE2-NH2 3.65Å; E130-L148 PolarHBondContact N-O 3.16Å; E130-L148 PolarHBondContact O-N 2.87Å; E130-I150 HydrophobicContact CB-CD1 3.45Å; E130-I150 VanDerWaalsContact CB-CD1 3.45Å; E130-I150 HydrophobicContact CB-CG1 4.26Å; E130-I150 HydrophobicContact CG-CD1 4.22Å; E130-I150 WeakPolarHBondContact OE2-CD1 3.35Å; E130-R189 IonicContact OE1-NH2 3.82Å; E130-R189 IonicContact OE2-CZ 3.65Å; E130-R189 IonicContact OE2-NE 3.72Å; E130-R189 IonicContact OE2-NH2 2.83Å; E130-R189 PolarHBondContact OE2-NH2 2.75Å
131I95.7Very high94.9Very high121 Ų12195.7 Ų95.762%0.62145%0.448SS*.EExtended strand (participates in β ladder)trans-93127.4173.1-57.4172.3000107.8Y145 V146I131-Y145 HydrophobicContact CG2-CD1 3.82Å; I131-Y145 HydrophobicContact CG2-CG 4.18Å; I131-V146 WeakPolarHBondContact CA-O 2.98Å
132R94.7Very high94.8Very high105 Ų10594 Ų9440%0.39645%0.447SS..EExtended strand (participates in β ladder)trans-122.5147.3178-69.3-152.1162.3-167.1-13.7112.2E130 Y145 V146 L148 R189E130-R132 HydrophobicContact CG-CG 4.06Å; E130-R132 IonicContact OE1-CZ 3.12Å; E130-R132 IonicContact OE1-NE 3.54Å; E130-R132 PolarHBondContact OE1-NE 2.94Å; E130-R132 IonicContact OE1-NH2 2.72Å; E130-R132 PolarHBondContact OE1-NH2 3.37Å; E130-R132 IonicContact OE2-CZ 3.84Å; E130-R132 IonicContact OE2-NE 2.88Å; E130-R132 IonicContact OE2-NH2 3.65Å; R132-Y145 CarbonylContact O-C 3.58Å; R132-Y145 VanDerWaalsContact O-CA 3.29Å; R132-Y145 WeakPolarHBondContact O-CA 3.34Å; R132-V146 PolarHBondContact N-O 2.81Å; R132-V146 PolarHBondContact O-N 3.47Å; R132-L148 HydrophobicContact CB-CD1 4.42Å; R132-L148 HydrophobicContact CG-CD1 4.01Å; R132-R189 VanDerWaalsContact CZ-NH2 3.25Å
133R94.5Very high94.7Very high167 Ų16792 Ų9263%0.6344%0.438SS*.EExtended strand (participates in β ladder)trans-68131.3166.7-66179-177169.32.6108.5F143 Y145R133-F143 HydrophobicContact CB-CB 4.38Å; R133-F143 HydrophobicContact CB-CD1 4.33Å; R133-F143 HydrophobicContact CB-CG 4.45Å; R133-F143 HydrophobicContact CG-CB 4.19Å; R133-F143 HydrophobicContact CG-CG 4.33Å; R133-Y145 HydrophobicContact CG-CD1 4.04Å; R133-Y145 HydrophobicContact CG-CE1 3.47Å; R133-Y145 VanDerWaalsContact CG-CE1 3.47Å
134D91.8Very high94.7Very high75 Ų7591 Ų9140%0.40144%0.438SS..EExtended strand (participates in β ladder)trans-106.9-96178.3-167.413.6000109.3S144 V146 R191D134-S144 PolarHBondContact N-O 3.43Å; D134-V146 HydrophobicContact CB-CB 4.46Å; D134-V146 HydrophobicContact CB-CG2 3.6Å; D134-V146 WeakPolarHBondContact OD2-CG2 3.33Å; D134-R191 IonicContact OD2-CZ 3.69Å; D134-R191 IonicContact OD2-NH1 3.8Å; D134-R191 IonicContact OD2-NH2 2.89Å; D134-R191 PolarHBondContact OD2-NH2 3.02Å
135T93.5Very high94.6Very high81 Ų8193.3 Ų93.350%0.49744%0.442SS..EExtended strand (participates in β ladder)trans-103.9141.1-174.9-58.80000111.6S144T135-S144 PolarHBondContact N-OG 2.94Å; T135-S144 PolarHBondContact O-N 3.29Å; T135-S144 PolarHBondContact O-OG 2.83Å
136L94.1Very high94.5Very high72 Ų7293.5 Ų93.538%0.37744%0.444SS..EExtended strand (participates in β ladder)trans-84.6121.5171.3179.969.8000109.8R138 F143L136-R138 PolarHBondContact O-N 2.88Å; L136-F143 HydrophobicContact CB-CD1 3.96Å; L136-F143 HydrophobicContact CB-CE1 3.75Å; L136-F143 HydrophobicContact CB-CZ 4.43Å; L136-F143 HydrophobicContact CD1-CD1 4.04Å; L136-F143 HydrophobicContact CD1-CD2 4.1Å; L136-F143 HydrophobicContact CD1-CE1 3.88Å; L136-F143 HydrophobicContact CD1-CE2 3.93Å; L136-F143 HydrophobicContact CD1-CG 4.16Å; L136-F143 HydrophobicContact CD1-CZ 3.82Å; L136-F143 HydrophobicContact CG-CE1 4.31Å
137D93.3Very high94.4Very high78 Ų7898.3 Ų98.342%0.41747%0.467SS..  trans-74.5113.4170.5-64.9-28.5000108.4E139 T140 L141 E142D137-E139 PolarHBondContact O-N 3.19Å; D137-T140 VanDerWaalsContact CB-OG1 3.26Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; D137-L141 WeakPolarHBondContact O-CA 3.38Å; D137-L141 PolarHBondContact O-N 3.09Å; D137-E142 WeakPolarHBondContact CB-O 3.26Å; D137-E142 PolarHBondContact N-O 3.48Å
138R93.3Very high94.4Very high229 Ų22999.4 Ų99.486%0.86447%0.472SS*.THydrogen-bonded Turntrans-67.7-24.9-171.7-66-176.7179.8-178.30.2113.6L136L136-R138 PolarHBondContact O-N 2.88Å
139E93.9Very high94.4Very high194 Ų19495 Ų9591%0.90746%0.455SS*.THydrogen-bonded Turntrans-81.4-48-176.7-61.8-177174.300111.7D137D137-E139 PolarHBondContact O-N 3.19Å
140T92.9Very high94.4Very high83 Ų8392 Ų9251%0.50943%0.433SS..THydrogen-bonded Turntrans-87.2-17.3179.647.30000113D137 E142D137-T140 VanDerWaalsContact CB-OG1 3.26Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; T140-E142 PolarHBondContact O-N 3.43Å
141L92Very high94.5Very high127 Ų12789.4 Ų89.467%0.66542%0.422SS*.  trans59.524.8-169.8-57.1172.5000113D137D137-L141 WeakPolarHBondContact O-CA 3.38Å; D137-L141 PolarHBondContact O-N 3.09Å
142E93Very high94.6Very high128 Ų12887.6 Ų87.660%0.59841%0.409SS*.PPolyproline II helixtrans-98.7146.9177.7-66.7-175.8170.800111.1D137 T140D137-E142 WeakPolarHBondContact CB-O 3.26Å; D137-E142 PolarHBondContact N-O 3.48Å; T140-E142 PolarHBondContact O-N 3.43Å
143F93.9Very high94.7Very high84 Ų8485.4 Ų85.437%0.36840%0.403SS..EExtended strand (participates in β ladder)trans-92133.6174.8-71.9-82.1000110.2R133 L136 Y145R133-F143 HydrophobicContact CB-CB 4.38Å; R133-F143 HydrophobicContact CB-CD1 4.33Å; R133-F143 HydrophobicContact CB-CG 4.45Å; R133-F143 HydrophobicContact CG-CB 4.19Å; R133-F143 HydrophobicContact CG-CG 4.33Å; L136-F143 HydrophobicContact CB-CD1 3.96Å; L136-F143 HydrophobicContact CB-CE1 3.75Å; L136-F143 HydrophobicContact CB-CZ 4.43Å; L136-F143 HydrophobicContact CD1-CD1 4.04Å; L136-F143 HydrophobicContact CD1-CD2 4.1Å; L136-F143 HydrophobicContact CD1-CE1 3.88Å; L136-F143 HydrophobicContact CD1-CE2 3.93Å; L136-F143 HydrophobicContact CD1-CG 4.16Å; L136-F143 HydrophobicContact CD1-CZ 3.82Å; L136-F143 HydrophobicContact CG-CE1 4.31Å; F143-Y145 HydrophobicContact CB-CE2 4.42Å; F143-Y145 VanDerWaalsContact O-CD2 3.26Å; F143-Y145 WeakPolarHBondContact O-CD2 3.42Å; F143-Y145 VanDerWaalsContact O-CE2 3.25Å; F143-Y145 WeakPolarHBondContact O-CE2 3.21Å
144S93.5Very high94.8Very high41 Ų4177.9 Ų77.929%0.28738%0.375SS..EExtended strand (participates in β ladder)trans-69.8146.3161.353.60000110.3D134 T135D134-S144 PolarHBondContact N-O 3.43Å; T135-S144 PolarHBondContact N-OG 2.94Å; T135-S144 PolarHBondContact O-N 3.29Å; T135-S144 PolarHBondContact O-OG 2.83Å
145Y94.6Very high95Very high138 Ų13878 Ų7854%0.54137%0.373SS..EExtended strand (participates in β ladder)trans-117.7138.9179.1-68.8-88.9000110.4I131 R132 R133 F143I131-Y145 HydrophobicContact CG2-CD1 3.82Å; I131-Y145 HydrophobicContact CG2-CG 4.18Å; R132-Y145 CarbonylContact O-C 3.58Å; R132-Y145 VanDerWaalsContact O-CA 3.29Å; R132-Y145 WeakPolarHBondContact O-CA 3.34Å; R133-Y145 HydrophobicContact CG-CD1 4.04Å; R133-Y145 HydrophobicContact CG-CE1 3.47Å; R133-Y145 VanDerWaalsContact CG-CE1 3.47Å; F143-Y145 HydrophobicContact CB-CE2 4.42Å; F143-Y145 VanDerWaalsContact O-CD2 3.26Å; F143-Y145 WeakPolarHBondContact O-CD2 3.42Å; F143-Y145 VanDerWaalsContact O-CE2 3.25Å; F143-Y145 WeakPolarHBondContact O-CE2 3.21Å
146V94.4Very high95Very high24 Ų2477 Ų7715%0.14538%0.379CS..EExtended strand (participates in β ladder)trans-120129.7177.6175.60000109I131 R132 D134 L148 R191I131-V146 WeakPolarHBondContact CA-O 2.98Å; R132-V146 PolarHBondContact N-O 2.81Å; R132-V146 PolarHBondContact O-N 3.47Å; D134-V146 HydrophobicContact CB-CB 4.46Å; D134-V146 HydrophobicContact CB-CG2 3.6Å; D134-V146 WeakPolarHBondContact OD2-CG2 3.33Å; V146-L148 HydrophobicContact CG1-CD2 3.94Å; V146-R191 HydrophobicContact CG1-CG 3.87Å
147E95Very high95.1Very high102 Ų10277.1 Ų77.148%0.47738%0.38SS..EExtended strand (participates in β ladder)trans-81.5128.7169.4-170.5175.1-17300109.9
148L97Very high95.3Very high24 Ų2473.8 Ų73.813%0.12636%0.363CS..EExtended strand (participates in β ladder)trans-115.8131.5175.3-58.9177000108.8S129 E130 R132 V146 V190 R191S129-L148 CarbonylContact C-O 3.49Å; S129-L148 WeakPolarHBondContact CA-O 3.47Å; E130-L148 PolarHBondContact N-O 3.16Å; E130-L148 PolarHBondContact O-N 2.87Å; R132-L148 HydrophobicContact CB-CD1 4.42Å; R132-L148 HydrophobicContact CG-CD1 4.01Å; V146-L148 HydrophobicContact CG1-CD2 3.94Å; L148-V190 WeakPolarHBondContact CA-O 3.43Å; L148-R191 HydrophobicContact CD2-CB 3.75Å; L148-R191 HydrophobicContact CD2-CG 4.12Å
149A97.8Very high95.5Very high1 Ų167.4 Ų67.41%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-89.5136.3167.400000109.3V190 A193 L198A149-V190 PolarHBondContact N-O 3.33Å; A149-V190 PolarHBondContact O-N 2.77Å; A149-A193 WeakPolarHBondContact CB-O 3.45Å; A149-L198 HydrophobicContact CB-CD1 3.45Å; A149-L198 VanDerWaalsContact CB-CD1 3.45Å; A149-L198 HydrophobicContact CB-CG 4.03Å
150I97.9Very high95.6Very high4 Ų459 Ų592%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-127.3120.5-170.9-57.7-170.9000109.4V127 Y128 E130 K152 K187 I188 R189V127-I150 CarbonylContact C-O 3.51Å; V127-I150 WeakPolarHBondContact CA-O 3.43Å; Y128-I150 PolarHBondContact N-O 3.28Å; Y128-I150 PolarHBondContact O-N 3.23Å; E130-I150 HydrophobicContact CB-CD1 3.45Å; E130-I150 VanDerWaalsContact CB-CD1 3.45Å; E130-I150 HydrophobicContact CB-CG1 4.26Å; E130-I150 HydrophobicContact CG-CD1 4.22Å; E130-I150 WeakPolarHBondContact OE2-CD1 3.35Å; I150-K152 HydrophobicContact CG2-CG 3.93Å; I150-K187 HydrophobicContact CG2-CD 4.2Å; I150-K187 HydrophobicContact CG2-CG 3.98Å; I150-I188 WeakPolarHBondContact CA-O 3.34Å; I150-R189 HydrophobicContact CD1-CG 4.43Å; I150-R189 HydrophobicContact CG1-CG 4.22Å
151L98.1Very high95.8Very high0 Ų055 Ų550%028%0.281CS..EExtended strand (participates in β ladder)trans-101.3125.6170.9-162159.9000108.4V117 V154 L165 K187 I188 L198 L202V117-L151 HydrophobicContact CG1-CD2 4.07Å; V117-L151 HydrophobicContact CG2-CD2 4.25Å; L151-V154 HydrophobicContact CD2-CG2 3.13Å; L151-L165 HydrophobicContact CD1-CD2 4.24Å; L151-K187 CarbonylContact O-C 3.58Å; L151-K187 VanDerWaalsContact O-CA 3.32Å; L151-K187 WeakPolarHBondContact O-CA 3.45Å; L151-I188 HydrophobicContact CB-CB 4.41Å; L151-I188 PolarHBondContact N-O 3.34Å; L151-I188 PolarHBondContact O-N 2.95Å; L151-L198 HydrophobicContact CB-CD1 4.35Å; L151-L202 HydrophobicContact CD1-CD1 4.43Å; L151-L202 HydrophobicContact CD1-CD2 4.24Å
152K97.7Very high96.1Very high83 Ų8350.6 Ų50.636%0.36126%0.257SS..  trans-115.2170.4176.7-60.4-172.6-175171.50110.8P126 Y128 I150 V154 G186 K187P126-K152 HydrophobicContact CB-CB 4.31Å; P126-K152 WeakPolarHBondContact CB-O 3.32Å; P126-K152 WeakPolarHBondContact CG-O 3.41Å; P126-K152 PolarHBondContact O-N 3.02Å; Y128-K152 HydrophobicContact CD2-CD 3.85Å; Y128-K152 HydrophobicContact CD2-CG 4.05Å; Y128-K152 HydrophobicContact CE2-CB 4.34Å; Y128-K152 HydrophobicContact CE2-CD 3.68Å; Y128-K152 HydrophobicContact CE2-CG 4.07Å; I150-K152 HydrophobicContact CG2-CG 3.93Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 2.88Å; K152-G186 CarbonylContact C-O 3.54Å; K152-K187 HydrophobicContact CG-CG 4.32Å
153K96.4Very high96.3Very high59 Ų5950.6 Ų50.626%0.25726%0.255SS..  trans60.638174.4-52.5-173.8174.2-161.60113.4R118 R119 P126 G186R118-K153 HydrophobicContact CB-CB 4.29Å; R118-K153 HydrophobicContact CB-CD 4.49Å; R118-K153 PolarHBondContact N-O 2.63Å; R118-K153 VanDerWaalsContact N-O 3.1Å; R119-K153 PolarHBondContact O-NZ 2.88Å; P126-K153 HydrophobicContact CB-CB 4.24Å; P126-K153 HydrophobicContact CB-CD 4.1Å; P126-K153 HydrophobicContact CB-CG 4.12Å; P126-K153 HydrophobicContact CG-CB 4.27Å; K153-G186 PolarHBondContact N-O 2.82Å; K153-G186 VanDerWaalsContact N-O 3.11Å
154V97.2Very high96.5Very high8 Ų850.1 Ų50.15%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-77.4124.6164.7-170.20000107.8V117 L151 K152 V158 C161 G186 I188V117-V154 HydrophobicContact CG2-CG2 4.41Å; L151-V154 HydrophobicContact CD2-CG2 3.13Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 2.88Å; V154-V158 HydrophobicContact CB-CG1 4.29Å; V154-V158 HydrophobicContact CB-CG2 4.35Å; V154-V158 HydrophobicContact CG1-CB 4.36Å; V154-V158 HydrophobicContact CG1-CG1 4.2Å; V154-V158 HydrophobicContact CG1-CG2 4.14Å; V154-C161 HydrophobicContact CG1-CB 3.89Å; V154-G186 PolarHBondContact N-O 3.19Å; V154-G186 WeakPolarHBondContact O-CA 3.48Å; V154-I188 HydrophobicContact CG2-CD1 4.14Å; V154-I188 HydrophobicContact CG2-CG1 4.45Å
155E94.8Very high96.7Very high77 Ų7748.1 Ų48.136%0.3624%0.242SC..EExtended strand (participates in β ladder)trans-111.9147.8175.6-62.2176-173.900108.6Y115 Y116 R118Y115-E155 CarbonylContact C-O 3.57Å; Y115-E155 WeakPolarHBondContact CA-O 3.33Å; Y115-E155 WeakPolarHBondContact CB-O 3.41Å; Y116-E155 PolarHBondContact N-O 3.27Å; Y116-E155 PolarHBondContact O-N 3.48Å; R118-E155 WeakPolarHBondContact CD-OE1 3.43Å; R118-E155 IonicContact NE-OE1 2.73Å
156G94.7Very high96.8Very high61 Ų6142.2 Ų42.263%0.62922%0.221SC*.EExtended strand (participates in β ladder)trans85.6-146-175.900000113V158G156-V158 PolarHBondContact O-N 2.89Å
157D95.9Very high96.9Very high75 Ų7544.9 Ų44.940%0.40124%0.235SC..  trans-74.895.6-179-174.9-5.5000111.6P114 Y115 F159 A160 C161P114-D157 HydrophobicContact CB-CB 4.41Å; P114-D157 PolarHBondContact O-N 2.64Å; Y115-D157 WeakPolarHBondContact CB-O 3.44Å; D157-F159 PolarHBondContact O-N 2.84Å; D157-F159 WeakPolarHBondContact OD1-CB 3.41Å; D157-F159 PolarHBondContact OD1-N 3.22Å; D157-A160 HydrophobicContact CB-CB 3.96Å; D157-A160 PolarHBondContact O-N 3.09Å; D157-A160 PolarHBondContact OD1-N 3.31Å; D157-A160 WeakPolarHBondContact OD2-CB 3.47Å; D157-C161 PolarHBondContact O-N 2.66Å
158V97.2Very high97Very high7 Ų741.7 Ų41.74%0.04222%0.22CC..Hα-helixtrans-65.1-29.5-179.5-169.20000111.8V154 G156 C161 E162 V181 I188V154-V158 HydrophobicContact CB-CG1 4.29Å; V154-V158 HydrophobicContact CB-CG2 4.35Å; V154-V158 HydrophobicContact CG1-CB 4.36Å; V154-V158 HydrophobicContact CG1-CG1 4.2Å; V154-V158 HydrophobicContact CG1-CG2 4.14Å; G156-V158 PolarHBondContact O-N 2.89Å; V158-C161 WeakPolarHBondContact O-CB 3.45Å; V158-C161 PolarHBondContact O-N 3.09Å; V158-E162 WeakPolarHBondContact O-CB 3.14Å; V158-E162 PolarHBondContact O-N 3.14Å; V158-V181 HydrophobicContact CB-CG1 4.24Å; V158-V181 HydrophobicContact CG1-CG1 3.59Å; V158-I188 HydrophobicContact CG1-CD1 4.07Å; V158-I188 HydrophobicContact CG1-CG1 3.87Å
159F97.6Very high97Very high96 Ų9640.6 Ų40.642%0.42121%0.214SC..Hα-helixtrans-75.2-36.6179.7-62.6-75.8000111.6D157 C161 E162 K163 V181 E183D157-F159 PolarHBondContact O-N 2.84Å; D157-F159 WeakPolarHBondContact OD1-CB 3.41Å; D157-F159 PolarHBondContact OD1-N 3.22Å; F159-C161 VanDerWaalsContact C-N 3.32Å; F159-E162 PolarHBondContact O-N 2.8Å; F159-K163 WeakPolarHBondContact O-CG 3.19Å; F159-K163 PolarHBondContact O-N 3.1Å; F159-V181 HydrophobicContact CD1-CB 4.47Å; F159-V181 HydrophobicContact CD1-CG1 4.26Å; F159-V181 HydrophobicContact CD1-CG2 4.38Å; F159-V181 HydrophobicContact CE1-CB 4.16Å; F159-V181 HydrophobicContact CE1-CG1 3.99Å; F159-V181 HydrophobicContact CZ-CG1 4.44Å; F159-E183 HydrophobicContact CE2-CB 4.49Å; F159-E183 HydrophobicContact CE2-CG 4.39Å; F159-E183 HydrophobicContact CZ-CB 4.49Å
160A96.9Very high97Very high17 Ų1744 Ų4414%0.1423%0.229CC..Hα-helixtrans-59.9-44.8169.600000111.1P114 Y115 D157 E162 K163 D164P114-A160 HydrophobicContact CB-CB 4.32Å; P114-A160 HydrophobicContact CG-CB 4.36Å; Y115-A160 HydrophobicContact CD1-CB 3.88Å; Y115-A160 HydrophobicContact CE1-CB 4.2Å; D157-A160 HydrophobicContact CB-CB 3.96Å; D157-A160 PolarHBondContact O-N 3.09Å; D157-A160 PolarHBondContact OD1-N 3.31Å; D157-A160 WeakPolarHBondContact OD2-CB 3.47Å; A160-E162 VanDerWaalsContact C-N 3.31Å; A160-E162 PolarHBondContact O-N 3.36Å; A160-K163 PolarHBondContact O-N 3.29Å; A160-D164 PolarHBondContact O-N 3.48Å; A160-D164 VanDerWaalsContact O-N 3.07Å
161C97Very high96.9Very high0 Ų052.4 Ų52.40%027%0.266CS..Hα-helixtrans-60.3-40.6175.7-174.60000112.5Y115 V154 D157 V158 F159 L165 I188Y115-C161 HydrophobicContact CD1-CB 3.79Å; Y115-C161 HydrophobicContact CD2-CB 3.57Å; Y115-C161 VanDerWaalsContact CE1-CA 3.5Å; Y115-C161 HydrophobicContact CE1-CB 4.05Å; Y115-C161 HydrophobicContact CE2-CB 3.82Å; Y115-C161 HydrophobicContact CG-CB 3.57Å; V154-C161 HydrophobicContact CG1-CB 3.89Å; D157-C161 PolarHBondContact O-N 2.66Å; V158-C161 WeakPolarHBondContact O-CB 3.45Å; V158-C161 PolarHBondContact O-N 3.09Å; F159-C161 VanDerWaalsContact C-N 3.32Å; C161-L165 WeakPolarHBondContact O-CB 3.38Å; C161-L165 PolarHBondContact O-N 2.93Å; C161-I188 HydrophobicContact CB-CD1 4.17Å
162E97.6Very high96.8Very high34 Ų3458 Ų5816%0.15929%0.287CS..Hα-helixtrans-67-42.5179.6177.7-92.4171.100112.2V158 F159 A160 L165 A166 T179 V181 I188V158-E162 WeakPolarHBondContact O-CB 3.14Å; V158-E162 PolarHBondContact O-N 3.14Å; F159-E162 PolarHBondContact O-N 2.8Å; A160-E162 VanDerWaalsContact C-N 3.31Å; A160-E162 PolarHBondContact O-N 3.36Å; E162-L165 PolarHBondContact O-N 3.05Å; E162-A166 VanDerWaalsContact O-CB 3.32Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 3.42Å; E162-T179 HydrophobicContact CG-CG2 4.28Å; E162-T179 WeakPolarHBondContact OE1-CB 3.26Å; E162-T179 PolarHBondContact OE1-OG1 3.19Å; E162-V181 HydrophobicContact CB-CG2 3.67Å; E162-V181 HydrophobicContact CG-CG2 3.51Å; E162-I188 HydrophobicContact CB-CD1 3.99Å; E162-I188 HydrophobicContact CG-CG2 4.36Å
163K97.3Very high96.7Very high128 Ų12856.6 Ų56.656%0.55728%0.283SS*.Hα-helixtrans-61.3-48.3175.8-70.9171.4-176.4175.30111.9F159 A160 L165 A166 N167F159-K163 WeakPolarHBondContact O-CG 3.19Å; F159-K163 PolarHBondContact O-N 3.1Å; A160-K163 PolarHBondContact O-N 3.29Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.39Å; K163-A166 PolarHBondContact O-N 3.12Å; K163-N167 WeakPolarHBondContact O-CB 3.07Å; K163-N167 PolarHBondContact O-N 3.48Å; K163-N167 PolarHBondContact O-ND2 3.41Å; K163-N167 VanDerWaalsContact O-ND2 3.08Å
164D97.2Very high96.6Very high73 Ų7357.1 Ų57.139%0.3931%0.306SS..Hα-helixtrans-64.5-39179.6-72-18.9000111.3Y115 A160 F168 F201Y115-D164 WeakPolarHBondContact CE1-OD2 3.44Å; Y115-D164 WeakPolarHBondContact OH-CB 3.4Å; Y115-D164 PolarHBondContact OH-OD2 2.96Å; Y115-D164 VanDerWaalsContact OH-OD2 3.09Å; A160-D164 PolarHBondContact O-N 3.48Å; A160-D164 VanDerWaalsContact O-N 3.07Å; D164-F168 WeakPolarHBondContact O-CB 3.35Å; D164-F168 PolarHBondContact O-N 3.44Å; D164-F201 HydrophobicContact CB-CE2 4.42Å; D164-F201 HydrophobicContact CB-CZ 4.29Å
165L97.3Very high96.4Very high0 Ų061.1 Ų61.10%032%0.324CS..Hα-helixtrans-65.6-47.6175.3179.966.8000112.2L151 C161 E162 K163 F168 L169 I188 V190 L198 F201L151-L165 HydrophobicContact CD1-CD2 4.24Å; C161-L165 WeakPolarHBondContact O-CB 3.38Å; C161-L165 PolarHBondContact O-N 2.93Å; E162-L165 PolarHBondContact O-N 3.05Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.39Å; L165-F168 PolarHBondContact O-N 2.75Å; L165-L169 HydrophobicContact CD1-CD1 4.08Å; L165-L169 HydrophobicContact CD1-CG 4.21Å; L165-L169 HydrophobicContact CG-CD1 3.95Å; L165-L169 HydrophobicContact CG-CG 4.43Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 3.34Å; L165-I188 HydrophobicContact CD2-CG2 4.2Å; L165-V190 HydrophobicContact CD2-CG2 4.01Å; L165-L198 HydrophobicContact CD1-CD2 3.57Å; L165-L198 HydrophobicContact CD2-CD2 3.84Å; L165-L198 HydrophobicContact CG-CD2 4.13Å; L165-F201 HydrophobicContact CB-CE1 4.17Å; L165-F201 HydrophobicContact CB-CE2 4.4Å; L165-F201 HydrophobicContact CB-CZ 4.03Å; L165-F201 HydrophobicContact CD1-CB 3.95Å; L165-F201 HydrophobicContact CD1-CD1 3.45Å; L165-F201 VanDerWaalsContact CD1-CD1 3.45Å; L165-F201 HydrophobicContact CD1-CD2 4.04Å; L165-F201 HydrophobicContact CD1-CE1 3.84Å; L165-F201 HydrophobicContact CD1-CE2 4.37Å; L165-F201 HydrophobicContact CD1-CG 3.54Å; L165-F201 HydrophobicContact CD1-CZ 4.26Å
166A97Very high96.3Very high13 Ų1361.9 Ų61.911%0.10734%0.337CS..Hα-helixtrans-59.2-48.8177.900000110.6E162 K163 F168 L169 E170 T179E162-A166 VanDerWaalsContact O-CB 3.32Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 3.42Å; K163-A166 PolarHBondContact O-N 3.12Å; A166-F168 VanDerWaalsContact C-N 3.3Å; A166-F168 PolarHBondContact O-N 2.7Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L169 VanDerWaalsContact O-N 3.16Å; A166-E170 WeakPolarHBondContact O-CG 3.17Å; A166-E170 PolarHBondContact O-N 3.37Å; A166-T179 HydrophobicContact CB-CG2 4.34Å
167N97Very high96.3Very high81 Ų8159.4 Ų59.443%0.43331%0.31SS..Hα-helixtrans-57.8-40.5176.6-72.1-30.2000112.8K163 K171K163-N167 WeakPolarHBondContact O-CB 3.07Å; K163-N167 PolarHBondContact O-N 3.48Å; K163-N167 PolarHBondContact O-ND2 3.41Å; K163-N167 VanDerWaalsContact O-ND2 3.08Å; N167-K171 WeakPolarHBondContact O-CD 3.44Å; N167-K171 WeakPolarHBondContact O-CG 3.36Å; N167-K171 PolarHBondContact O-N 3.48Å
168F97.5Very high96.3Very high35 Ų3560.5 Ų60.515%0.15432%0.32CS..Hα-helixtrans-65.6-46.2176.4174.9-98.1000111.9D164 L165 A166 K171 R172 A200 F201 E204D164-F168 WeakPolarHBondContact O-CB 3.35Å; D164-F168 PolarHBondContact O-N 3.44Å; L165-F168 PolarHBondContact O-N 2.75Å; A166-F168 VanDerWaalsContact C-N 3.3Å; A166-F168 PolarHBondContact O-N 2.7Å; F168-K171 PolarHBondContact O-N 3.29Å; F168-R172 WeakPolarHBondContact O-CB 2.88Å; F168-R172 PolarHBondContact O-N 2.69Å; F168-R172 VanDerWaalsContact O-N 3.09Å; F168-A200 HydrophobicContact CZ-CB 4.48Å; F168-F201 HydrophobicContact CB-CD2 3.63Å; F168-F201 HydrophobicContact CB-CE2 4.03Å; F168-F201 HydrophobicContact CD1-CB 3.57Å; F168-F201 AromaticContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CG 4.09Å; F168-F201 HydrophobicContact CD2-CD2 4.19Å; F168-F201 HydrophobicContact CE1-CB 3.59Å; F168-F201 HydrophobicContact CE1-CD2 4.44Å; F168-F201 HydrophobicContact CG-CB 4.26Å; F168-F201 AromaticContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CE2 4.42Å; F168-F201 HydrophobicContact CG-CG 4.37Å; F168-F201 HydrophobicContact CZ-CB 4.31Å; F168-E204 VanDerWaalsContact CE2-CD 3.45Å; F168-E204 WeakPolarHBondContact CE2-OE1 3.48Å; F168-E204 WeakPolarHBondContact CE2-OE2 3.48Å; F168-E204 WeakPolarHBondContact CZ-OE1 3.47Å
169L97.4Very high96.3Very high0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-68.7-41.2-177.7-66.9173.2000112.1L165 A166 K171 R172 L173 V177 V190 A193 D197 L198L165-L169 HydrophobicContact CD1-CD1 4.08Å; L165-L169 HydrophobicContact CD1-CG 4.21Å; L165-L169 HydrophobicContact CG-CD1 3.95Å; L165-L169 HydrophobicContact CG-CG 4.43Å; L165-L169 VanDerWaalsContact O-CG 3.26Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 3.34Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L169 VanDerWaalsContact O-N 3.16Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 2.94Å; L169-R172 PolarHBondContact O-N 3.15Å; L169-L173 HydrophobicContact CB-CD1 4.46Å; L169-L173 WeakPolarHBondContact O-CB 2.93Å; L169-L173 WeakPolarHBondContact O-CG 3.17Å; L169-L173 PolarHBondContact O-N 3.3Å; L169-V177 HydrophobicContact CB-CG2 3.94Å; L169-V177 HydrophobicContact CD1-CG1 4.16Å; L169-V190 HydrophobicContact CD1-CG1 3.77Å; L169-A193 HydrophobicContact CD1-CB 3.97Å; L169-A193 HydrophobicContact CD2-CB 4.14Å; L169-D197 HydrophobicContact CD2-CB 3.69Å; L169-L198 HydrophobicContact CD1-CD2 3.98Å; L169-L198 HydrophobicContact CD2-CD2 4.43Å
170E96.4Very high96.3Very high72 Ų7262.8 Ų62.834%0.33633%0.333SS..Hα-helixtrans-62.1-40.2176.7-69.6-169.915700111.5A166 R172 G174 S176 V177A166-E170 WeakPolarHBondContact O-CG 3.17Å; A166-E170 PolarHBondContact O-N 3.37Å; E170-R172 VanDerWaalsContact C-N 3.35Å; E170-R172 PolarHBondContact O-N 3.07Å; E170-G174 WeakPolarHBondContact O-CA 3.48Å; E170-G174 PolarHBondContact O-N 3.45Å; E170-S176 WeakPolarHBondContact OE1-CA 3.45Å; E170-S176 WeakPolarHBondContact OE1-CB 3.29Å; E170-S176 PolarHBondContact OE1-OG 2.06Å; E170-V177 HydrophobicContact CG-CG2 4.33Å
171K96.5Very high96.3Very high182 Ų18263.6 Ų63.679%0.79134%0.336SS*.Hα-helixtrans-63.9-38.1174.4-73.9172.2-174.8176.60112.9N167 F168 L169N167-K171 WeakPolarHBondContact O-CD 3.44Å; N167-K171 WeakPolarHBondContact O-CG 3.36Å; N167-K171 PolarHBondContact O-N 3.48Å; F168-K171 PolarHBondContact O-N 3.29Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 2.94Å
172R95.7Very high96.4Very high116 Ų11665.7 Ų65.744%0.43835%0.348SS..Hα-helixtrans-80.2-40.2-176.4179.7174.9165.1132.8-7.3113F168 L169 E170 D197F168-R172 WeakPolarHBondContact O-CB 2.88Å; F168-R172 PolarHBondContact O-N 2.69Å; F168-R172 VanDerWaalsContact O-N 3.09Å; L169-R172 PolarHBondContact O-N 3.15Å; E170-R172 VanDerWaalsContact C-N 3.35Å; E170-R172 PolarHBondContact O-N 3.07Å; R172-D197 IonicContact CZ-OD1 2.88Å; R172-D197 VanDerWaalsContact CZ-OD1 3.25Å; R172-D197 IonicContact NE-OD1 3.48Å; R172-D197 PolarHBondContact NE-OD1 3.3Å; R172-D197 IonicContact NH2-OD1 3.61Å; R172-D197 PolarHBondContact NH2-OD1 2.79Å
173L95.1Very high96.3Very high54 Ų5470 Ų7028%0.28337%0.368SS..Hα-helixtrans-93.3-24.3-174.2-61.7174.9000113.1L169 H175 V177 A193L169-L173 HydrophobicContact CB-CD1 4.46Å; L169-L173 WeakPolarHBondContact O-CB 2.93Å; L169-L173 WeakPolarHBondContact O-CG 3.17Å; L169-L173 PolarHBondContact O-N 3.3Å; L173-H175 VanDerWaalsContact C-N 3.28Å; L173-H175 PolarHBondContact O-N 2.94Å; L173-V177 HydrophobicContact CD1-CG2 4.11Å; L173-A193 HydrophobicContact CD1-CB 4.15Å
174G94.4Very high96.3Very high71 Ų7169.7 Ų69.773%0.73238%0.379SS*.SBendtrans75.711.1-179.700000114.8E170E170-G174 WeakPolarHBondContact O-CA 3.48Å; E170-G174 PolarHBondContact O-N 3.45Å
175H93.4Very high96.2Very high91 Ų9172.3 Ų72.342%0.42139%0.389SS..SBendtrans-134.3158.3172.264.273.7000110.5L173 G192L173-H175 VanDerWaalsContact C-N 3.28Å; L173-H175 PolarHBondContact O-N 2.94Å; H175-G192 PolarHBondContact CE1-O 3.43Å
176S93.4Very high96.2Very high93 Ų9372.7 Ų72.765%0.6539%0.392SS*.  trans-68.3145.6176.5-1710000111.2E170E170-S176 WeakPolarHBondContact OE1-CA 3.45Å; E170-S176 WeakPolarHBondContact OE1-CB 3.29Å; E170-S176 PolarHBondContact OE1-OG 2.06Å
177V95.1Very high96.2Very high9 Ų973.2 Ų73.26%0.05539%0.392CS..  trans-116.7132.4-174.1176.90000109.5L169 E170 L173 T179 V190L169-V177 HydrophobicContact CB-CG2 3.94Å; L169-V177 HydrophobicContact CD1-CG1 4.16Å; E170-V177 HydrophobicContact CG-CG2 4.33Å; L173-V177 HydrophobicContact CD1-CG2 4.11Å; V177-T179 HydrophobicContact CG1-CG2 4.39Å; V177-V190 HydrophobicContact CG1-CG1 3.18Å
178V95.6Very high96.3Very high99 Ų9969.4 Ų69.460%0.637%0.372SS*.EExtended strand (participates in β ladder)trans-91.2119.4177.9-179.30000109.5R191V178-R191 HydrophobicContact CB-CB 4.27Å; V178-R191 PolarHBondContact O-N 3.23Å
179T97.4Very high96.3Very high37 Ų3770.3 Ų70.323%0.22737%0.374CS..EExtended strand (participates in β ladder)trans-110.6150.1-179.351.40000110.9E162 A166 V177 R189 V190E162-T179 HydrophobicContact CG-CG2 4.28Å; E162-T179 WeakPolarHBondContact OE1-CB 3.26Å; E162-T179 PolarHBondContact OE1-OG1 3.19Å; A166-T179 HydrophobicContact CB-CG2 4.34Å; V177-T179 HydrophobicContact CG1-CG2 4.39Å; T179-R189 CarbonylContact C-O 3.49Å; T179-R189 WeakPolarHBondContact CA-O 3.14Å; T179-V190 HydrophobicContact CG2-CG2 4.36Å
180H97.1Very high96.3Very high114 Ų11470.3 Ų70.353%0.52837%0.374SS..EExtended strand (participates in β ladder)trans-138.3118.9171.2174.3-72.8000109.5R189H180-R189 HydrophobicContact CB-CB 4.32Å; H180-R189 PolarHBondContact N-O 3.41Å; H180-R189 PolarHBondContact O-N 3.19Å
181V98Very high96.2Very high33 Ų3372.5 Ų72.520%0.238%0.379CS..EExtended strand (participates in β ladder)trans-93.9135-178.9-176.90000110.7V158 F159 E162V158-V181 HydrophobicContact CB-CG1 4.24Å; V158-V181 HydrophobicContact CG1-CG1 3.59Å; F159-V181 HydrophobicContact CD1-CB 4.47Å; F159-V181 HydrophobicContact CD1-CG1 4.26Å; F159-V181 HydrophobicContact CD1-CG2 4.38Å; F159-V181 HydrophobicContact CE1-CB 4.16Å; F159-V181 HydrophobicContact CE1-CG1 3.99Å; F159-V181 HydrophobicContact CZ-CG1 4.44Å; E162-V181 HydrophobicContact CB-CG2 3.67Å; E162-V181 HydrophobicContact CG-CG2 3.51Å
182N97.5Very high96Very high45 Ų4566 Ų6624%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-121.291.6165.7-175.4-28000107.8P184 Q185 G186 K187N182-P184 VanDerWaalsContact OD1-CD 3.23Å; N182-P184 WeakPolarHBondContact OD1-CD 3.3Å; N182-P184 VanDerWaalsContact OD1-CG 3.27Å; N182-P184 WeakPolarHBondContact OD1-CG 3.42Å; N182-Q185 HydrophobicContact CB-CB 4.49Å; N182-Q185 PolarHBondContact ND2-OE1 3.07Å; N182-Q185 PolarHBondContact O-N 2.85Å; N182-Q185 PolarHBondContact OD1-N 3Å; N182-G186 PolarHBondContact O-N 3.47Å; N182-G186 VanDerWaalsContact O-N 3.13Å; N182-K187 HydrophobicContact CB-CB 4.37Å; N182-K187 PolarHBondContact N-O 3.49Å; N182-K187 PolarHBondContact O-N 2.97Å
183E96.5Very high96Very high123 Ų12360.7 Ų60.758%0.57535%0.345SS*.G310 helixtrans-56.1-52.5-178.1-175.4-165.6171.600113.2F159 Q185 G186F159-E183 HydrophobicContact CE2-CB 4.49Å; F159-E183 HydrophobicContact CE2-CG 4.39Å; F159-E183 HydrophobicContact CZ-CB 4.49Å; E183-Q185 PolarHBondContact O-N 3.13Å; E183-G186 PolarHBondContact O-N 2.88Å
184P95.9Very high96Very high123 Ų12361.2 Ų61.280%0.79935%0.351SS*.G310 helixtrans-64.6-20.3-175.723.8-33.9000113.2N182N182-P184 VanDerWaalsContact OD1-CD 3.23Å; N182-P184 WeakPolarHBondContact OD1-CD 3.3Å; N182-P184 VanDerWaalsContact OD1-CG 3.27Å; N182-P184 WeakPolarHBondContact OD1-CG 3.42Å
185Q96Very high96.1Very high128 Ų12861.8 Ų61.860%0.59833%0.333SS*.G310 helixtrans-95.8-6.1174.5-64.3-173-8.600113.9N182 E183 K187N182-Q185 HydrophobicContact CB-CB 4.49Å; N182-Q185 PolarHBondContact ND2-OE1 3.07Å; N182-Q185 PolarHBondContact O-N 2.85Å; N182-Q185 PolarHBondContact OD1-N 3Å; E183-Q185 PolarHBondContact O-N 3.13Å; Q185-K187 VanDerWaalsContact C-N 3.26Å; Q185-K187 HydrophobicContact CB-CB 4.03Å; Q185-K187 PolarHBondContact O-N 3.22Å
186G97Very high96.2Very high7 Ų760 Ų607%0.07233%0.334CS..THydrogen-bonded Turntrans55.543.3-171.900000111.9K152 K153 V154 N182 E183K152-G186 CarbonylContact C-O 3.54Å; K153-G186 PolarHBondContact N-O 2.82Å; K153-G186 VanDerWaalsContact N-O 3.11Å; V154-G186 PolarHBondContact N-O 3.19Å; V154-G186 WeakPolarHBondContact O-CA 3.48Å; N182-G186 PolarHBondContact O-N 3.47Å; N182-G186 VanDerWaalsContact O-N 3.13Å; E183-G186 PolarHBondContact O-N 2.88Å
187K97.7Very high96.4Very high25 Ų2556.4 Ų56.411%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-125.6129.9-170.2-178.7-175.9-176.7-1770111.2I150 L151 K152 N182 Q185 R189I150-K187 HydrophobicContact CG2-CD 4.2Å; I150-K187 HydrophobicContact CG2-CG 3.98Å; L151-K187 CarbonylContact O-C 3.58Å; L151-K187 VanDerWaalsContact O-CA 3.32Å; L151-K187 WeakPolarHBondContact O-CA 3.45Å; K152-K187 HydrophobicContact CG-CG 4.32Å; N182-K187 HydrophobicContact CB-CB 4.37Å; N182-K187 PolarHBondContact N-O 3.49Å; N182-K187 PolarHBondContact O-N 2.97Å; Q185-K187 VanDerWaalsContact C-N 3.26Å; Q185-K187 HydrophobicContact CB-CB 4.03Å; Q185-K187 PolarHBondContact O-N 3.22Å; K187-R189 VanDerWaalsContact NZ-NH2 3.1Å
188I98.2Very high96.5Very high0 Ų056 Ų560%031%0.305CS..EExtended strand (participates in β ladder)trans-116.2129.2174.4-55.3169.6000108.1I150 L151 V154 V158 C161 E162 L165 V190I150-I188 WeakPolarHBondContact CA-O 3.34Å; L151-I188 HydrophobicContact CB-CB 4.41Å; L151-I188 PolarHBondContact N-O 3.34Å; L151-I188 PolarHBondContact O-N 2.95Å; V154-I188 HydrophobicContact CG2-CD1 4.14Å; V154-I188 HydrophobicContact CG2-CG1 4.45Å; V158-I188 HydrophobicContact CG1-CD1 4.07Å; V158-I188 HydrophobicContact CG1-CG1 3.87Å; C161-I188 HydrophobicContact CB-CD1 4.17Å; E162-I188 HydrophobicContact CB-CD1 3.99Å; E162-I188 HydrophobicContact CG-CG2 4.36Å; L165-I188 HydrophobicContact CD2-CG2 4.2Å; I188-V190 HydrophobicContact CG2-CG2 4.09Å
189R97.8Very high96.5Very high55 Ų5553.9 Ų53.921%0.20829%0.289CS..EExtended strand (participates in β ladder)trans-106.6138172-70.9-177.1154.4153.8-3.6109.2E130 R132 I150 T179 H180 K187E130-R189 IonicContact OE1-NH2 3.82Å; E130-R189 IonicContact OE2-CZ 3.65Å; E130-R189 IonicContact OE2-NE 3.72Å; E130-R189 IonicContact OE2-NH2 2.83Å; E130-R189 PolarHBondContact OE2-NH2 2.75Å; R132-R189 VanDerWaalsContact CZ-NH2 3.25Å; I150-R189 HydrophobicContact CD1-CG 4.43Å; I150-R189 HydrophobicContact CG1-CG 4.22Å; T179-R189 CarbonylContact C-O 3.49Å; T179-R189 WeakPolarHBondContact CA-O 3.14Å; H180-R189 HydrophobicContact CB-CB 4.32Å; H180-R189 PolarHBondContact N-O 3.41Å; H180-R189 PolarHBondContact O-N 3.19Å; K187-R189 VanDerWaalsContact NZ-NH2 3.1Å
190V97.5Very high96.5Very high0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-129.9124.6-176.6-1720000108.6L148 A149 L165 L169 V177 T179 I188 A193 L198L148-V190 WeakPolarHBondContact CA-O 3.43Å; A149-V190 PolarHBondContact N-O 3.33Å; A149-V190 PolarHBondContact O-N 2.77Å; L165-V190 HydrophobicContact CD2-CG2 4.01Å; L169-V190 HydrophobicContact CD1-CG1 3.77Å; V177-V190 HydrophobicContact CG1-CG1 3.18Å; T179-V190 HydrophobicContact CG2-CG2 4.36Å; I188-V190 HydrophobicContact CG2-CG2 4.09Å; V190-A193 HydrophobicContact CG1-CB 3.68Å; V190-L198 HydrophobicContact CG2-CD2 4.22Å
191R95.3Very high96.5Very high117 Ų11747.8 Ų47.844%0.44226%0.26SS..EExtended strand (participates in β ladder)trans-98.2134.5172.3-178.6-175.6-176.8163.211.8108.9D134 V146 L148 V178D134-R191 IonicContact OD2-CZ 3.69Å; D134-R191 IonicContact OD2-NH1 3.8Å; D134-R191 IonicContact OD2-NH2 2.89Å; D134-R191 PolarHBondContact OD2-NH2 3.02Å; V146-R191 HydrophobicContact CG1-CG 3.87Å; L148-R191 HydrophobicContact CD2-CB 3.75Å; L148-R191 HydrophobicContact CD2-CG 4.12Å; V178-R191 HydrophobicContact CB-CB 4.27Å; V178-R191 PolarHBondContact O-N 3.23Å
192G91.6Very high96.4Very high45 Ų4546.2 Ų46.246%0.46425%0.251SS..SBendtrans86.98.5177.400000114.7H175H175-G192 PolarHBondContact CE1-O 3.43Å
193A95.1Very high96.3Very high6 Ų647.6 Ų47.65%0.0526%0.258CS..  trans-120.2150.6169.800000110A149 L169 L173 V190A149-A193 WeakPolarHBondContact CB-O 3.45Å; L169-A193 HydrophobicContact CD1-CB 3.97Å; L169-A193 HydrophobicContact CD2-CB 4.14Å; L173-A193 HydrophobicContact CD1-CB 4.15Å; V190-A193 HydrophobicContact CG1-CB 3.68Å
194T95.5Very high96.2Very high65 Ų6547.5 Ų47.540%0.39926%0.257SS..  trans-89.9164.4175.971.90000111.1A196 D197 L198T194-A196 PolarHBondContact O-N 2.98Å; T194-A196 PolarHBondContact OG1-N 3.28Å; T194-D197 WeakPolarHBondContact CB-OD2 3.37Å; T194-D197 PolarHBondContact N-OD2 2.92Å; T194-D197 PolarHBondContact O-N 2.87Å; T194-D197 VanDerWaalsContact OG1-CG 3.32Å; T194-D197 PolarHBondContact OG1-N 3.18Å; T194-D197 PolarHBondContact OG1-OD2 3.41Å; T194-L198 PolarHBondContact O-N 3.37Å
195K96.1Very high96.1Very high83 Ų8345.1 Ų45.136%0.36124%0.238SC..Hα-helixtrans-53.9-39.5171.4170173.7176.1-165.40112.1V127 D197 L198 E199V127-K195 HydrophobicContact CB-CG 4.42Å; V127-K195 HydrophobicContact CG1-CB 4.34Å; V127-K195 HydrophobicContact CG1-CG 3.75Å; V127-K195 WeakPolarHBondContact O-CE 3.41Å; K195-D197 VanDerWaalsContact C-N 3.31Å; K195-D197 PolarHBondContact O-N 3.01Å; K195-L198 PolarHBondContact O-N 3.01Å; K195-E199 WeakPolarHBondContact CE-OE1 3.35Å; K195-E199 HydrophobicContact CG-CG 4.47Å; K195-E199 IonicContact NZ-OE1 3.25Å; K195-E199 PolarHBondContact NZ-OE1 3.48Å; K195-E199 WeakPolarHBondContact O-CG 3.45Å; K195-E199 PolarHBondContact O-N 2.79Å
196A96.2Very high95.9Very high53 Ų5339.7 Ų39.744%0.43822%0.216SC..Hα-helixtrans-66.5-32.6-177.100000112.6T194 E199 A200T194-A196 PolarHBondContact O-N 2.98Å; T194-A196 PolarHBondContact OG1-N 3.28Å; A196-E199 PolarHBondContact O-N 3.47Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.98Å
197D96.9Very high95.7Very high17 Ų1740.5 Ų40.59%0.09122%0.218CC..Hα-helixtrans-69.3-38.8178.3-57.1-51.5000111.5L169 R172 T194 K195 A200 F201L169-D197 HydrophobicContact CD2-CB 3.69Å; R172-D197 IonicContact CZ-OD1 2.88Å; R172-D197 VanDerWaalsContact CZ-OD1 3.25Å; R172-D197 IonicContact NE-OD1 3.48Å; R172-D197 PolarHBondContact NE-OD1 3.3Å; R172-D197 IonicContact NH2-OD1 3.61Å; R172-D197 PolarHBondContact NH2-OD1 2.79Å; T194-D197 WeakPolarHBondContact CB-OD2 3.37Å; T194-D197 PolarHBondContact N-OD2 2.92Å; T194-D197 PolarHBondContact O-N 2.87Å; T194-D197 VanDerWaalsContact OG1-CG 3.32Å; T194-D197 PolarHBondContact OG1-N 3.18Å; T194-D197 PolarHBondContact OG1-OD2 3.41Å; K195-D197 VanDerWaalsContact C-N 3.31Å; K195-D197 PolarHBondContact O-N 3.01Å; D197-A200 PolarHBondContact O-N 3.2Å; D197-F201 PolarHBondContact O-N 3.23Å; D197-F201 VanDerWaalsContact O-N 3.12Å
198L97.4Very high95.6Very high0 Ų041.3 Ų41.30%022%0.223CC..Hα-helixtrans-66.6-40.2172.6-62.7-171.6000112V127 A149 L151 L165 L169 V190 T194 K195 A200 F201 L202V127-L198 HydrophobicContact CG1-CB 3.72Å; V127-L198 HydrophobicContact CG1-CD1 3.75Å; V127-L198 HydrophobicContact CG1-CG 4.31Å; V127-L198 HydrophobicContact CG2-CB 4.17Å; A149-L198 HydrophobicContact CB-CD1 3.45Å; A149-L198 VanDerWaalsContact CB-CD1 3.45Å; A149-L198 HydrophobicContact CB-CG 4.03Å; L151-L198 HydrophobicContact CB-CD1 4.35Å; L165-L198 HydrophobicContact CD1-CD2 3.57Å; L165-L198 HydrophobicContact CD2-CD2 3.84Å; L165-L198 HydrophobicContact CG-CD2 4.13Å; L169-L198 HydrophobicContact CD1-CD2 3.98Å; L169-L198 HydrophobicContact CD2-CD2 4.43Å; V190-L198 HydrophobicContact CG2-CD2 4.22Å; T194-L198 PolarHBondContact O-N 3.37Å; K195-L198 PolarHBondContact O-N 3.01Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3Å; L198-F201 WeakPolarHBondContact O-CB 3.41Å; L198-F201 PolarHBondContact O-N 3.06Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.25Å; L198-L202 VanDerWaalsContact O-N 3.14Å
199E97Very high95.4Very high56 Ų5643.4 Ų43.426%0.26224%0.235SC..Hα-helixtrans-63.6-38.5175.9-72.7178.7156.800111.5F125 V127 K195 A196 L202 L203F125-E199 HydrophobicContact CB-CG 4.48Å; F125-E199 HydrophobicContact CD2-CB 4.35Å; F125-E199 HydrophobicContact CD2-CG 4.16Å; V127-E199 HydrophobicContact CB-CG 4.24Å; V127-E199 HydrophobicContact CG2-CG 4.25Å; K195-E199 WeakPolarHBondContact CE-OE1 3.35Å; K195-E199 HydrophobicContact CG-CG 4.47Å; K195-E199 IonicContact NZ-OE1 3.25Å; K195-E199 PolarHBondContact NZ-OE1 3.48Å; K195-E199 WeakPolarHBondContact O-CG 3.45Å; K195-E199 PolarHBondContact O-N 2.79Å; A196-E199 PolarHBondContact O-N 3.47Å; E199-L202 PolarHBondContact O-N 2.59Å; E199-L203 WeakPolarHBondContact O-CB 3.38Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.31Å; E199-L203 PolarHBondContact O-N 3.46Å
200A96.3Very high95.3Very high16 Ų1642.8 Ų42.813%0.13224%0.236CC..Hα-helixtrans-63.6-44175.500000112.6F168 A196 D197 L198 L202 L203 E204F168-A200 HydrophobicContact CZ-CB 4.48Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.98Å; D197-A200 PolarHBondContact O-N 3.2Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3Å; A200-L202 VanDerWaalsContact C-N 3.28Å; A200-L202 PolarHBondContact O-N 3.36Å; A200-L203 PolarHBondContact O-N 3Å; A200-E204 WeakPolarHBondContact O-CG 3.43Å; A200-E204 PolarHBondContact O-N 2.88Å
201F97Very high95.2Very high6 Ų645.3 Ų45.33%0.02625%0.25CS..Hα-helixtrans-55.1-45173.2171.6-104.9000112.2D164 L165 F168 D197 L198 E204 N205D164-F201 HydrophobicContact CB-CE2 4.42Å; D164-F201 HydrophobicContact CB-CZ 4.29Å; L165-F201 HydrophobicContact CB-CE1 4.17Å; L165-F201 HydrophobicContact CB-CE2 4.4Å; L165-F201 HydrophobicContact CB-CZ 4.03Å; L165-F201 HydrophobicContact CD1-CB 3.95Å; L165-F201 HydrophobicContact CD1-CD1 3.45Å; L165-F201 VanDerWaalsContact CD1-CD1 3.45Å; L165-F201 HydrophobicContact CD1-CD2 4.04Å; L165-F201 HydrophobicContact CD1-CE1 3.84Å; L165-F201 HydrophobicContact CD1-CE2 4.37Å; L165-F201 HydrophobicContact CD1-CG 3.54Å; L165-F201 HydrophobicContact CD1-CZ 4.26Å; F168-F201 HydrophobicContact CB-CD2 3.63Å; F168-F201 HydrophobicContact CB-CE2 4.03Å; F168-F201 HydrophobicContact CD1-CB 3.57Å; F168-F201 AromaticContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CD2 3.74Å; F168-F201 HydrophobicContact CD1-CG 4.09Å; F168-F201 HydrophobicContact CD2-CD2 4.19Å; F168-F201 HydrophobicContact CE1-CB 3.59Å; F168-F201 HydrophobicContact CE1-CD2 4.44Å; F168-F201 HydrophobicContact CG-CB 4.26Å; F168-F201 AromaticContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CD2 3.57Å; F168-F201 HydrophobicContact CG-CE2 4.42Å; F168-F201 HydrophobicContact CG-CG 4.37Å; F168-F201 HydrophobicContact CZ-CB 4.31Å; D197-F201 PolarHBondContact O-N 3.23Å; D197-F201 VanDerWaalsContact O-N 3.12Å; L198-F201 WeakPolarHBondContact O-CB 3.41Å; L198-F201 PolarHBondContact O-N 3.06Å; F201-E204 PolarHBondContact O-N 2.9Å; F201-N205 WeakPolarHBondContact CD2-ND2 3.4Å; F201-N205 WeakPolarHBondContact CE2-ND2 3.31Å; F201-N205 WeakPolarHBondContact CZ-ND2 3.47Å; F201-N205 PolarHBondContact O-N 3.07Å; F201-N205 PolarHBondContact O-ND2 3.04Å; F201-N205 VanDerWaalsContact O-ND2 3.09Å
202L96.6Very high95.2Very high0 Ų040.8 Ų40.80%024%0.238CC..Hα-helixtrans-68.8-36.9-179.1-66.5174.6000112.1V117 F125 V127 L151 L198 E199 A200 G206 F207V117-L202 HydrophobicContact CB-CD2 3.93Å; V117-L202 HydrophobicContact CG1-CD1 4.38Å; V117-L202 HydrophobicContact CG1-CD2 3.92Å; V117-L202 HydrophobicContact CG2-CD2 3.84Å; F125-L202 HydrophobicContact CB-CD1 3.91Å; F125-L202 HydrophobicContact CD1-CB 3.71Å; F125-L202 HydrophobicContact CD1-CD1 3.57Å; F125-L202 HydrophobicContact CD1-CG 4.25Å; F125-L202 HydrophobicContact CE1-CB 3.48Å; F125-L202 VanDerWaalsContact CE1-CB 3.48Å; F125-L202 HydrophobicContact CE1-CD1 4.25Å; F125-L202 HydrophobicContact CE1-CG 4.45Å; F125-L202 HydrophobicContact CE2-CB 4.49Å; F125-L202 HydrophobicContact CG-CB 4.3Å; F125-L202 HydrophobicContact CG-CD1 3.85Å; F125-L202 HydrophobicContact CZ-CB 3.91Å; V127-L202 HydrophobicContact CG2-CD1 3.54Å; L151-L202 HydrophobicContact CD1-CD1 4.43Å; L151-L202 HydrophobicContact CD1-CD2 4.24Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.25Å; L198-L202 VanDerWaalsContact O-N 3.14Å; E199-L202 PolarHBondContact O-N 2.59Å; A200-L202 VanDerWaalsContact C-N 3.28Å; A200-L202 PolarHBondContact O-N 3.36Å; L202-G206 PolarHBondContact O-N 3.14Å; L202-F207 HydrophobicContact CD2-CB 4.23Å; L202-F207 HydrophobicContact CD2-CD2 3.71Å; L202-F207 HydrophobicContact CD2-CG 4.34Å; L202-F207 PolarHBondContact O-N 3.34Å; L202-F207 VanDerWaalsContact O-N 3.07Å
203L94.8Very high95.4Very high75 Ų7540.5 Ų40.539%0.39322%0.223SC..Hα-helixtrans-64.6-44175.3-76.5168.5000112.3I104 F125 E199 A200 G206I104-L203 HydrophobicContact CB-CD2 4.37Å; I104-L203 HydrophobicContact CD1-CD2 4.09Å; F125-L203 HydrophobicContact CE2-CD1 4.39Å; F125-L203 HydrophobicContact CE2-CD2 3.67Å; F125-L203 HydrophobicContact CE2-CG 3.64Å; F125-L203 HydrophobicContact CZ-CD2 3.67Å; F125-L203 HydrophobicContact CZ-CG 3.8Å; E199-L203 WeakPolarHBondContact O-CB 3.38Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.31Å; E199-L203 PolarHBondContact O-N 3.46Å; A200-L203 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 3.07Å
204E94.3Very high95.4Very high121 Ų12143 Ų4357%0.56524%0.235SC*.Hα-helixtrans-63.8-44.9179.6-73.8-177-150.400111.8F168 A200 F201 G206F168-E204 VanDerWaalsContact CE2-CD 3.45Å; F168-E204 WeakPolarHBondContact CE2-OE1 3.48Å; F168-E204 WeakPolarHBondContact CE2-OE2 3.48Å; F168-E204 WeakPolarHBondContact CZ-OE1 3.47Å; A200-E204 WeakPolarHBondContact O-CG 3.43Å; A200-E204 PolarHBondContact O-N 2.88Å; F201-E204 PolarHBondContact O-N 2.9Å; E204-G206 VanDerWaalsContact C-N 3.26Å; E204-G206 PolarHBondContact O-N 3.18Å
205N93.2Very high95.4Very high73 Ų7341.3 Ų41.339%0.3922%0.223SC..Hα-helixtrans-69.8-24.4175.4-70.5-42.9000112.8F201 F207F201-N205 WeakPolarHBondContact CD2-ND2 3.4Å; F201-N205 WeakPolarHBondContact CE2-ND2 3.31Å; F201-N205 WeakPolarHBondContact CZ-ND2 3.47Å; F201-N205 PolarHBondContact O-N 3.07Å; F201-N205 PolarHBondContact O-ND2 3.04Å; F201-N205 VanDerWaalsContact O-ND2 3.09Å; N205-F207 HydrophobicContact CB-CD2 3.55Å; N205-F207 HydrophobicContact CB-CE2 3.36Å; N205-F207 HydrophobicContact CB-CZ 4.22Å
206G92.6Very high95.4Very high13 Ų1337.8 Ų37.813%0.13421%0.211CC..THydrogen-bonded Turntrans82.133.2177.500000114.4K107 L202 L203 E204K107-G206 WeakPolarHBondContact CB-O 3.41Å; K107-G206 PolarHBondContact N-O 3.19Å; L202-G206 PolarHBondContact O-N 3.14Å; L203-G206 PolarHBondContact O-N 3.07Å; E204-G206 VanDerWaalsContact C-N 3.26Å; E204-G206 PolarHBondContact O-N 3.18Å
207F92.3Very high95.3Very high24 Ų2436.5 Ų36.511%0.10519%0.191CC..  trans-76.60172.1-63.8-64.3000112.9P106 Y115 Y116 V117 R119 F125 L202 N205P106-F207 WeakPolarHBondContact CB-OXT 3.45Å; Y115-F207 AromaticContact CD2-CZ 3.92Å; Y115-F207 HydrophobicContact CD2-CZ 3.92Å; Y115-F207 AromaticContact CE2-CE2 3.8Å; Y115-F207 HydrophobicContact CE2-CE2 3.8Å; Y115-F207 AromaticContact CE2-CZ 3.48Å; Y115-F207 HydrophobicContact CE2-CZ 3.48Å; Y115-F207 VanDerWaalsContact CE2-CZ 3.48Å; Y116-F207 AromaticContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CD1 3.92Å; Y116-F207 HydrophobicContact CD2-CE1 4.13Å; Y116-F207 HydrophobicContact CE2-CD1 4.2Å; V117-F207 HydrophobicContact CB-CB 4.18Å; V117-F207 HydrophobicContact CB-CD1 4.39Å; V117-F207 HydrophobicContact CB-CD2 4.41Å; V117-F207 HydrophobicContact CB-CG 4.09Å; V117-F207 HydrophobicContact CG2-CD2 4.34Å; V117-F207 HydrophobicContact CG2-CG 4.46Å; R119-F207 PolarHBondContact NE-O 3.44Å; R119-F207 VanDerWaalsContact NE-O 3.15Å; R119-F207 PolarHBondContact NE-OXT 3.31Å; R119-F207 PolarHBondContact NH2-O 3.5Å; F125-F207 VanDerWaalsContact CE1-O 3.29Å; F125-F207 WeakPolarHBondContact CE1-O 3.4Å; L202-F207 HydrophobicContact CD2-CB 4.23Å; L202-F207 HydrophobicContact CD2-CD2 3.71Å; L202-F207 HydrophobicContact CD2-CG 4.34Å; L202-F207 PolarHBondContact O-N 3.34Å; L202-F207 VanDerWaalsContact O-N 3.07Å; N205-F207 HydrophobicContact CB-CD2 3.55Å; N205-F207 HydrophobicContact CB-CE2 3.36Å; N205-F207 HydrophobicContact CB-CZ 4.22Å

Retrieved 207 of 207 residues in 661.3 ms (Link to these results)