A0A077YXU5_TRITR Loading...

RNA binding protein Musashi Rbp6

AlphaFold DB , UniProt , Accession A0A077YXU5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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
1M46.1Very low50.3Low237 Ų237135.1 Ų135.1100%1.16779%0.788SS**  0138.70-72.7172.6170.300106.5
2S50.4Low49.4Very low108 Ų108139.5 Ų139.576%0.75580%0.795SS**  trans67.2138.9-168.1-39.80000112.5
3L50.9Low48.6Very low152 Ų152136 Ų13680%0.79679%0.794SS**  cis65.9131.938-56.9157.3000111.6
4S57.6Low48.2Very low96 Ų96139.7 Ų139.767%0.67180%0.8SS**  cis-174.5145.8-6.844.40000109.3
5D55.3Low47.3Very low149 Ų149140.4 Ų140.480%0.79780%0.8SS**  cis-160.9-172.4-15.3-90.9-44.6000109.1
6N57.5Low47Very low147 Ų147137.2 Ų137.279%0.78679%0.789SS**  trans-101.4149.1-163.6-164.277.4000115
7P54.2Low46.7Very low97 Ų97138.4 Ų138.463%0.6379%0.792SS**  trans-89.8163.7-179.736.6-37000113.8
8N46.2Very low45.8Very low166 Ų166134.8 Ų134.889%0.88879%0.791SS**  trans-169.2159.1140.7-113.9-7000114.9
9S44.1Very low45.1Very low99 Ų99131.7 Ų131.769%0.69279%0.79SS**  trans-130171153.965.60000107.4
10P49.9Very low45.5Very low107 Ų107131.7 Ų131.770%0.69579%0.79SS**  cis-125.5-157.1-14.731.5-9.9000111.7
11T41.1Very low45.3Very low128 Ų128130.3 Ų130.379%0.78579%0.785SS**  trans85.9151.5165.668.60000120
12E39Very low45Very low188 Ų188124.2 Ų124.288%0.87977%0.772SS**  trans80.9125.8170.1-52.7-159.3147.200121.2
13A39.4Very low44.5Very low94 Ų94126.4 Ų126.478%0.77777%0.77SS**  trans62.995.1141.900000123.8
14E43.6Very low44.1Very low188 Ų188125.8 Ų125.888%0.87977%0.767SS**  trans-141.4131.6133.6-63.9-171.412900106.1
15N34.2Very low43.4Very low150 Ų150126.2 Ų126.280%0.80276%0.762SS**  cis61.69010.9-16837.8000117.5
16S43.3Very low43.3Very low89 Ų89122.1 Ų122.162%0.62274%0.741SS**  trans-166.4150.7135.651.70000112.7
17N40.4Very low43.1Very low157 Ų157119 Ų11984%0.8473%0.73SS**  trans53.6137.4158.1-56.2-26.8000120.4
18G31Very low43.1Very low75 Ų75120.7 Ų120.777%0.77373%0.73SS**  cis113.5122.1-0.600000113.1
19G33.5Very low43.9Very low75 Ų75120.6 Ų120.677%0.77372%0.724SS**  trans91147.7-17500000112.9
20V52.3Low45.3Very low132 Ų132118.3 Ų118.380%0.870%0.704SS**  cis-145.1148.9-6.5-173.70000106.7
21P41.2Very low46.7Very low103 Ų103117 Ų11767%0.66970%0.695SS**  trans-55.4146.3173.2-2636000112.5E23P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 3.46Å
22A39.3Very low48.7Very low109 Ų109111.2 Ų111.290%0.90166%0.661SS**  trans-74.380.6-176.800000112.1N24A22-N24 PolarHBondContact O-N 3.25Å
23E40.2Very low51.2Low153 Ų153103.5 Ų103.572%0.71563%0.625SS**  trans-81.9111.7-179.8-65.5-158.817100113.3P21 N25P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 3.46Å; E23-N25 PolarHBondContact O-N 2.82Å; E23-N25 VanDerWaalsContact O-N 3.16Å
24N42.2Very low53.8Low139 Ų13999 Ų9974%0.74359%0.588SS**  trans61.229.3139.2-59.7-47.4000120.2A22 D26A22-N24 PolarHBondContact O-N 3.25Å; N24-D26 PolarHBondContact O-N 3.29Å
25N43.6Very low56.2Low105 Ų10593.2 Ų93.256%0.56156%0.56SS**  trans-79.634.7165.9-158.814.5000113.9E23 S27 Q28E23-N25 PolarHBondContact O-N 2.82Å; E23-N25 VanDerWaalsContact O-N 3.16Å; N25-S27 PolarHBondContact O-N 3.43Å; N25-Q28 PolarHBondContact ND2-OE1 3.37Å
26D53.1Low59Low64 Ų6486.1 Ų86.134%0.34252%0.521SS..THydrogen-bonded Turntrans-7833-177.3-163.247.8000112.3N24 K33 K110N24-D26 PolarHBondContact O-N 3.29Å; D26-K33 IonicContact OD1-NZ 3.12Å; D26-K33 PolarHBondContact OD1-NZ 3.22Å; D26-K33 VanDerWaalsContact OD1-NZ 3.12Å; D26-K110 IonicContact OD1-NZ 3.71Å; D26-K110 WeakPolarHBondContact OD2-CD 3.39Å; D26-K110 IonicContact OD2-NZ 2.61Å; D26-K110 PolarHBondContact OD2-NZ 2.71Å
27S54.2Low61.4Low80 Ų8082.2 Ų82.256%0.55950%0.495SS*.THydrogen-bonded Turntrans-130.4-11-173.1-61.50000114.8N25N25-S27 PolarHBondContact O-N 3.43Å
28Q54.2Low63.9Low134 Ų13476.6 Ų76.663%0.62647%0.474SS*.SBendtrans-83.9150.5168.2-72.1-173-100.100110.9N25 D30N25-Q28 PolarHBondContact ND2-OE1 3.37Å; Q28-D30 PolarHBondContact O-N 3.3Å
29E62.1Low66.9Low164 Ų16473.1 Ų73.177%0.76644%0.438SS*.  trans-73.292.2176.1-61.1-175.6153.600109.5P31E29-P31 WeakPolarHBondContact O-CD 3.37Å
30D73.4Confident69.7Low50 Ų5070 Ų7027%0.26740%0.404SS..  trans-77.8102.6173.5-92.6-33.4000110.6Q28 G32 K33 R79Q28-D30 PolarHBondContact O-N 3.3Å; D30-G32 PolarHBondContact O-N 2.93Å; D30-K33 HydrophobicContact CB-CB 3.85Å; D30-K33 HydrophobicContact CB-CD 4.31Å; D30-K33 WeakPolarHBondContact O-CB 3.46Å; D30-K33 PolarHBondContact O-N 3.17Å; D30-K33 VanDerWaalsContact O-N 3.13Å; D30-R79 VanDerWaalsContact CG-NE 3.27Å; D30-R79 IonicContact OD1-CZ 2.65Å; D30-R79 IonicContact OD1-NE 2.66Å; D30-R79 PolarHBondContact OD1-NE 3.45Å; D30-R79 IonicContact OD1-NH2 2.69Å; D30-R79 PolarHBondContact OD1-NH2 3.48Å; D30-R79 IonicContact OD2-CZ 2.66Å; D30-R79 IonicContact OD2-NE 3.36Å; D30-R79 PolarHBondContact OD2-NE 3.15Å; D30-R79 IonicContact OD2-NH2 2.81Å
31P79.2Confident71.5Confident80 Ų8071.6 Ų71.652%0.51940%0.396SS..THydrogen-bonded Turntrans-68.6-18.3179.230.9-38000113E29 K33 T83E29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-K33 VanDerWaalsContact C-N 3.31Å; P31-T83 HydrophobicContact CB-CG2 3.99Å; P31-T83 HydrophobicContact CG-CG2 4.49Å
32G84.4Confident73.8Confident6 Ų674.6 Ų74.66%0.06240%0.401CS..THydrogen-bonded Turntrans-79-5.3174.400000114.9D30 R79 F80D30-G32 PolarHBondContact O-N 2.93Å; G32-R79 WeakPolarHBondContact O-CA 3.29Å; G32-F80 PolarHBondContact O-N 3.4Å
33K91.4Very high76.3Confident27 Ų2769.4 Ų69.412%0.11736%0.358CS..EExtended strand (participates in β ladder)trans-88.2129-175.4-153.3160.3-164.4158.40110.7D26 D30 P31 E60 I78 A107D26-K33 IonicContact OD1-NZ 3.12Å; D26-K33 PolarHBondContact OD1-NZ 3.22Å; D26-K33 VanDerWaalsContact OD1-NZ 3.12Å; D30-K33 HydrophobicContact CB-CB 3.85Å; D30-K33 HydrophobicContact CB-CD 4.31Å; D30-K33 WeakPolarHBondContact O-CB 3.46Å; D30-K33 PolarHBondContact O-N 3.17Å; D30-K33 VanDerWaalsContact O-N 3.13Å; P31-K33 VanDerWaalsContact C-N 3.31Å; K33-E60 WeakPolarHBondContact CE-OE2 3.44Å; K33-E60 IonicContact NZ-OE1 3.93Å; K33-E60 IonicContact NZ-OE2 3.1Å; K33-E60 PolarHBondContact NZ-OE2 3.28Å; K33-E60 VanDerWaalsContact NZ-OE2 3.1Å; K33-I78 CarbonylContact C-O 3.57Å; K33-I78 WeakPolarHBondContact CA-O 3.39Å; K33-A107 HydrophobicContact CB-CB 4.04Å; K33-A107 HydrophobicContact CG-CB 4.1Å; K33-A107 WeakPolarHBondContact O-CB 3.4Å; K33-A107 PolarHBondContact O-N 2.74Å
34M93Very high78.7Confident0 Ų063.6 Ų63.60%034%0.335CS..EExtended strand (participates in β ladder)trans-120.6143.1177.2-61.6-167.278.800111.6I36 F77 I78 F80 V86 V89 L90 P104 K105M34-I36 HydrophobicContact CB-CD1 4.02Å; M34-F77 VanDerWaalsContact O-CA 3.28Å; M34-F77 WeakPolarHBondContact O-CA 3.3Å; M34-I78 HydrophobicContact CB-CD1 4.31Å; M34-I78 HydrophobicContact CB-CG1 3.81Å; M34-I78 PolarHBondContact N-O 2.81Å; M34-I78 PolarHBondContact O-N 3.16Å; M34-F80 HydrophobicContact SD-CD2 4.41Å; M34-F80 HydrophobicContact SD-CE2 3.88Å; M34-V86 HydrophobicContact CE-CG1 4Å; M34-V86 HydrophobicContact CG-CB 4.39Å; M34-V86 HydrophobicContact CG-CG1 3.92Å; M34-V86 HydrophobicContact CG-CG2 3.9Å; M34-V86 HydrophobicContact SD-CB 4.13Å; M34-V86 HydrophobicContact SD-CG1 3.81Å; M34-V86 HydrophobicContact SD-CG2 4.11Å; M34-V89 HydrophobicContact CE-CB 4.15Å; M34-V89 HydrophobicContact CE-CG1 3.66Å; M34-V89 HydrophobicContact SD-CB 3.96Å; M34-V89 HydrophobicContact SD-CG1 3.87Å; M34-V89 HydrophobicContact SD-CG2 4.27Å; M34-L90 HydrophobicContact CE-CD2 3.82Å; M34-L90 HydrophobicContact CE-CG 3.9Å; M34-P104 HydrophobicContact CE-CB 4.1Å; M34-K105 CarbonylContact C-O 3.55Å; M34-K105 VanDerWaalsContact CA-O 3.3Å; M34-K105 WeakPolarHBondContact CA-O 3.4Å; M34-K105 WeakPolarHBondContact CB-O 3.45Å
35F93.6Very high81.1Confident66 Ų6659.7 Ų59.729%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-91.7130167.7168.3-90.5000108.8F75 F77 P104 K105 A107F35-F75 HydrophobicContact CD2-CD2 4.31Å; F35-F75 HydrophobicContact CE2-CB 3.87Å; F35-F75 AromaticContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CE2 4.29Å; F35-F75 AromaticContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CZ-CB 3.87Å; F35-F75 HydrophobicContact CZ-CD2 4.35Å; F35-F75 HydrophobicContact CZ-CG 4.28Å; F35-F77 HydrophobicContact CB-CD1 4.26Å; F35-F77 HydrophobicContact CB-CE1 4.02Å; F35-F77 HydrophobicContact CD2-CD1 4.48Å; F35-F77 AromaticContact CD2-CE1 3.84Å; F35-F77 HydrophobicContact CD2-CE1 3.84Å; F35-F77 AromaticContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CG-CE1 4.44Å; F35-P104 WeakPolarHBondContact O-CA 3.27Å; F35-K105 PolarHBondContact N-O 3.03Å; F35-K105 PolarHBondContact O-N 2.81Å; F35-A107 HydrophobicContact CB-CB 4.5Å
36I94Very high83.5Confident0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-114.8105.9-180-42.4-61000109.1M34 L39 L48 F52 F75 G76 I78 I102 P104M34-I36 HydrophobicContact CB-CD1 4.02Å; I36-L39 HydrophobicContact CB-CD2 4.37Å; I36-L39 HydrophobicContact CG2-CD2 3.62Å; I36-L39 HydrophobicContact CG2-CG 4.41Å; I36-L48 HydrophobicContact CG2-CD1 4.29Å; I36-F52 HydrophobicContact CD1-CE1 4.27Å; I36-F52 HydrophobicContact CD1-CE2 3.93Å; I36-F52 HydrophobicContact CD1-CZ 3.73Å; I36-F52 HydrophobicContact CG1-CE2 4.08Å; I36-F52 HydrophobicContact CG1-CZ 4.36Å; I36-F52 HydrophobicContact CG2-CE2 3.93Å; I36-F52 HydrophobicContact CG2-CZ 4.07Å; I36-F75 CarbonylContact O-C 3.53Å; I36-F75 WeakPolarHBondContact O-CA 3.32Å; I36-F75 WeakPolarHBondContact O-CB 3.25Å; I36-G76 PolarHBondContact N-O 3.34Å; I36-G76 PolarHBondContact O-N 2.89Å; I36-I78 HydrophobicContact CD1-CD1 3.72Å; I36-I78 HydrophobicContact CD1-CG1 3.94Å; I36-I78 HydrophobicContact CG1-CD1 4.26Å; I36-I78 HydrophobicContact CG1-CG1 4.18Å; I36-I78 HydrophobicContact CG1-CG2 4.24Å; I36-I102 HydrophobicContact CG2-CB 4.34Å; I36-I102 HydrophobicContact CG2-CD1 3.96Å; I36-I102 HydrophobicContact CG2-CG1 4.43Å; I36-P104 HydrophobicContact CD1-CB 3.6Å
37G93.6Very high85.4Confident7 Ų759.1 Ų59.17%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-89.1159.9175.400000113.1I102 D103G37-I102 WeakPolarHBondContact O-CA 3.48Å; G37-I102 WeakPolarHBondContact O-CB 3.32Å; G37-D103 PolarHBondContact N-O 2.94Å; G37-D103 PolarHBondContact O-N 3.13Å
38G92.6Very high87.2Confident39 Ų3955.3 Ų55.340%0.40228%0.283SS..SBendtrans84.36.7169.900000116.1G74G38-G74 PolarHBondContact N-O 2.95Å
39L93.4Very high89.1Confident2 Ų249.6 Ų49.61%0.0126%0.26CS..  trans-54.3150.7-178.8-58.2-172.5000112.4I36 T43 L48 V63 G74 I102I36-L39 HydrophobicContact CB-CD2 4.37Å; I36-L39 HydrophobicContact CG2-CD2 3.62Å; I36-L39 HydrophobicContact CG2-CG 4.41Å; L39-T43 HydrophobicContact CD1-CG2 4.45Å; L39-L48 HydrophobicContact CD1-CD1 4.21Å; L39-L48 HydrophobicContact CD1-CD2 4.23Å; L39-L48 HydrophobicContact CD2-CD1 3.79Å; L39-V63 HydrophobicContact CD1-CG1 4.5Å; L39-V63 HydrophobicContact CD1-CG2 4.23Å; L39-G74 PolarHBondContact N-O 3.24Å; L39-I102 HydrophobicContact CD2-CB 4.4Å; L39-I102 HydrophobicContact CD2-CD1 4.46Å; L39-I102 HydrophobicContact CD2-CG2 3.88Å
40S92.5Very high90.6Very high9 Ų948.7 Ų48.76%0.06326%0.256CS..  trans-67.1157.9170.1-167.30000110.8Q42 T43S40-Q42 PolarHBondContact O-N 3.19Å; S40-T43 WeakPolarHBondContact CA-OG1 3.42Å; S40-T43 WeakPolarHBondContact CB-OG1 3.39Å; S40-T43 PolarHBondContact N-OG1 3.47Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-T43 PolarHBondContact O-OG1 2.93Å
41W91Very high91.5Very high166 Ų16648.3 Ų48.363%0.62925%0.251SS*.SBendtrans-72.8-12.8172.4-63.3-21.4000112.3
42Q89.4Confident92.2Very high167 Ų16744.5 Ų44.578%0.7823%0.227SC*.SBendtrans-91.2-20.2176.4-70.5165.4-28.500112.9S40 S44S40-Q42 PolarHBondContact O-N 3.19Å; Q42-S44 PolarHBondContact O-N 2.92Å
43T90.4Very high92.6Very high0 Ų046 Ų460%024%0.242CC..  trans-53.8122.9-174.7-48.50000111.9L39 S40 L48 R65 L97 D98L39-T43 HydrophobicContact CD1-CG2 4.45Å; S40-T43 WeakPolarHBondContact CA-OG1 3.42Å; S40-T43 WeakPolarHBondContact CB-OG1 3.39Å; S40-T43 PolarHBondContact N-OG1 3.47Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-T43 PolarHBondContact O-OG1 2.93Å; T43-L48 HydrophobicContact CG2-CB 4.35Å; T43-R65 PolarHBondContact O-NH2 3.22Å; T43-L97 HydrophobicContact CG2-CD2 3.7Å; T43-L97 HydrophobicContact CG2-CG 4.36Å; T43-D98 WeakPolarHBondContact CA-OD2 3.35Å; T43-D98 WeakPolarHBondContact CB-OD2 3.08Å; T43-D98 PolarHBondContact N-OD2 3.46Å; T43-D98 PolarHBondContact OG1-OD2 3.17Å
44S91.6Very high92.6Very high31 Ų3150.7 Ų50.722%0.21726%0.264CS..  trans-86.1172.1174.690.10000110.9Q42 E46 S47 L48 V63Q42-S44 PolarHBondContact O-N 2.92Å; S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 WeakPolarHBondContact CB-OE2 3.42Å; S44-E46 PolarHBondContact OG-N 2.66Å; S44-E46 VanDerWaalsContact OG-N 3.15Å; S44-E46 PolarHBondContact OG-OE2 3.1Å; S44-S47 PolarHBondContact N-OG 2.99Å; S44-S47 PolarHBondContact O-OG 2.87Å; S44-S47 PolarHBondContact OG-N 3.04Å; S44-S47 PolarHBondContact OG-OG 3.02Å; S44-L48 WeakPolarHBondContact O-CB 3.26Å; S44-L48 PolarHBondContact O-N 3.33Å; S44-V63 WeakPolarHBondContact O-CG2 3.47Å
45V93Very high92.6Very high56 Ų5651.7 Ų51.734%0.33927%0.269SS..Hα-helixtrans-71.1-36.1171.9177.40000109.9L48 G49 C61 V63V45-L48 PolarHBondContact O-N 3.2Å; V45-G49 PolarHBondContact O-N 3.02Å; V45-C61 HydrophobicContact CG1-CB 4.2Å; V45-C61 VanDerWaalsContact CG1-O 3.27Å; V45-C61 WeakPolarHBondContact CG1-O 3.15Å; V45-C61 WeakPolarHBondContact CG1-SG 3.31Å; V45-V63 HydrophobicContact CG2-CB 4.09Å; V45-V63 HydrophobicContact CG2-CG2 4.07Å
46E93.4Very high92.5Very high133 Ų13349.2 Ų49.262%0.62126%0.262SS*.Hα-helixtrans-63.6-53.6177.2-54.1117.7157.800111.3S44 L48 G49 E50S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 WeakPolarHBondContact CB-OE2 3.42Å; S44-E46 PolarHBondContact OG-N 2.66Å; S44-E46 VanDerWaalsContact OG-N 3.15Å; S44-E46 PolarHBondContact OG-OE2 3.1Å; E46-L48 PolarHBondContact O-N 3.25Å; E46-L48 VanDerWaalsContact O-N 3.17Å; E46-G49 CarbonylContact O-C 3.56Å; E46-G49 WeakPolarHBondContact O-CA 3.38Å; E46-G49 PolarHBondContact O-N 3Å; E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 WeakPolarHBondContact O-CG 3.45Å; E46-E50 PolarHBondContact O-N 3.19Å
47S92.3Very high92.5Very high24 Ų2456 Ų5617%0.16829%0.294CS..Hα-helixtrans-60-31.7-179.359.60000112.9S44 Y51S44-S47 PolarHBondContact N-OG 2.99Å; S44-S47 PolarHBondContact O-OG 2.87Å; S44-S47 PolarHBondContact OG-N 3.04Å; S44-S47 PolarHBondContact OG-OG 3.02Å; S47-Y51 VanDerWaalsContact O-CB 3.31Å; S47-Y51 WeakPolarHBondContact O-CB 3.25Å; S47-Y51 PolarHBondContact O-N 3.1Å
48L92.9Very high92.5Very high0 Ų057.4 Ų57.40%030%0.301CS..Hα-helixtrans-70.5-44.7172.7-17369.7000111.5I36 L39 T43 S44 V45 E46 F52 V63 I78 L97I36-L48 HydrophobicContact CG2-CD1 4.29Å; L39-L48 HydrophobicContact CD1-CD1 4.21Å; L39-L48 HydrophobicContact CD1-CD2 4.23Å; L39-L48 HydrophobicContact CD2-CD1 3.79Å; T43-L48 HydrophobicContact CG2-CB 4.35Å; S44-L48 WeakPolarHBondContact O-CB 3.26Å; S44-L48 PolarHBondContact O-N 3.33Å; V45-L48 PolarHBondContact O-N 3.2Å; E46-L48 PolarHBondContact O-N 3.25Å; E46-L48 VanDerWaalsContact O-N 3.17Å; L48-F52 HydrophobicContact CD1-CD2 3.82Å; L48-F52 HydrophobicContact CD1-CE2 3.67Å; L48-F52 HydrophobicContact CG-CD2 4.27Å; L48-F52 WeakPolarHBondContact O-CD2 3.31Å; L48-F52 PolarHBondContact O-N 3.35Å; L48-F52 VanDerWaalsContact O-N 3.15Å; L48-V63 HydrophobicContact CB-CG2 4.42Å; L48-V63 HydrophobicContact CD2-CG2 3.86Å; L48-I78 HydrophobicContact CD2-CG2 3.9Å; L48-I78 HydrophobicContact CG-CG2 4.01Å; L48-L97 HydrophobicContact CD1-CD2 3.97Å
49G93.4Very high92.6Very high14 Ų1459.1 Ų59.114%0.14430%0.303CS..Hα-helixtrans-64.6-44.3177.800000113V45 E46 F52 G53V45-G49 PolarHBondContact O-N 3.02Å; E46-G49 CarbonylContact O-C 3.56Å; E46-G49 WeakPolarHBondContact O-CA 3.38Å; E46-G49 PolarHBondContact O-N 3Å; G49-F52 PolarHBondContact O-N 3.2Å; G49-G53 PolarHBondContact O-N 3.23Å
50E93.3Very high92.5Very high146 Ų14662.4 Ų62.468%0.68232%0.319SS*.Hα-helixtrans-59.9-51.6175.9-72.2171.3-173.700111.5E46 F52 G53E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 WeakPolarHBondContact O-CG 3.45Å; E46-E50 PolarHBondContact O-N 3.19Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-F52 PolarHBondContact O-N 2.54Å; E50-G53 PolarHBondContact O-N 3.42Å
51Y93.6Very high92.5Very high41 Ų4163.9 Ų63.916%0.16133%0.329CS..Hα-helixtrans-61-39.8-179.8179.6-95000112.7S47 Q54 F55 H95 E96 L97 I102S47-Y51 VanDerWaalsContact O-CB 3.31Å; S47-Y51 WeakPolarHBondContact O-CB 3.25Å; S47-Y51 PolarHBondContact O-N 3.1Å; Y51-Q54 VanDerWaalsContact O-CD 3.28Å; Y51-Q54 VanDerWaalsContact O-CG 3.25Å; Y51-Q54 WeakPolarHBondContact O-CG 3.13Å; Y51-Q54 PolarHBondContact O-NE2 3.35Å; Y51-F55 HydrophobicContact CE1-CE2 4.22Å; Y51-H95 HydrophobicContact CE1-CB 4.09Å; Y51-H95 AromaticContact CE1-ND1 3.63Å; Y51-H95 AromaticContact CZ-ND1 3.81Å; Y51-H95 WeakPolarHBondContact OH-CA 3.46Å; Y51-H95 WeakPolarHBondContact OH-CB 3.42Å; Y51-H95 PolarHBondContact OH-ND1 2.96Å; Y51-H95 VanDerWaalsContact OH-ND1 3.1Å; Y51-E96 VanDerWaalsContact CE2-O 3.25Å; Y51-E96 WeakPolarHBondContact CE2-O 3.38Å; Y51-E96 PolarHBondContact OH-N 2.88Å; Y51-L97 HydrophobicContact CD2-CD1 4.25Å; Y51-L97 HydrophobicContact CG-CD1 4.11Å; Y51-I102 HydrophobicContact CD1-CD1 4.24Å; Y51-I102 HydrophobicContact CE1-CD1 4Å
52F93.8Very high92.6Very high0 Ų058.4 Ų58.40%031%0.314CS..Hα-helixtrans-81.4-21.8177.5-78.4-71.4000113.7I36 L48 G49 E50 Q54 F55 V58 I78 F80 V89 I102 P104I36-F52 HydrophobicContact CD1-CE1 4.27Å; I36-F52 HydrophobicContact CD1-CE2 3.93Å; I36-F52 HydrophobicContact CD1-CZ 3.73Å; I36-F52 HydrophobicContact CG1-CE2 4.08Å; I36-F52 HydrophobicContact CG1-CZ 4.36Å; I36-F52 HydrophobicContact CG2-CE2 3.93Å; I36-F52 HydrophobicContact CG2-CZ 4.07Å; L48-F52 HydrophobicContact CD1-CD2 3.82Å; L48-F52 HydrophobicContact CD1-CE2 3.67Å; L48-F52 HydrophobicContact CG-CD2 4.27Å; L48-F52 WeakPolarHBondContact O-CD2 3.31Å; L48-F52 PolarHBondContact O-N 3.35Å; L48-F52 VanDerWaalsContact O-N 3.15Å; G49-F52 PolarHBondContact O-N 3.2Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-F52 PolarHBondContact O-N 2.54Å; F52-Q54 PolarHBondContact O-N 3.43Å; F52-Q54 VanDerWaalsContact O-N 3.16Å; F52-F55 AromaticContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CE2 4.18Å; F52-F55 HydrophobicContact CE1-CE2 4.44Å; F52-F55 PolarHBondContact O-N 2.99Å; F52-V58 HydrophobicContact CB-CG2 4.13Å; F52-I78 HydrophobicContact CB-CD1 3.72Å; F52-I78 HydrophobicContact CD1-CD1 3.55Å; F52-I78 HydrophobicContact CD2-CD1 3.71Å; F52-I78 HydrophobicContact CD2-CG2 4.31Å; F52-I78 HydrophobicContact CE1-CD1 4.11Å; F52-I78 HydrophobicContact CE2-CD1 4.25Å; F52-I78 HydrophobicContact CG-CD1 3.34Å; F52-I78 HydrophobicContact CZ-CD1 4.43Å; F52-F80 HydrophobicContact CB-CE1 4.39Å; F52-F80 HydrophobicContact CB-CZ 4.01Å; F52-F80 HydrophobicContact CD1-CZ 4.15Å; F52-F80 HydrophobicContact CG-CZ 4.48Å; F52-F80 WeakPolarHBondContact O-CE1 3.41Å; F52-V89 HydrophobicContact CD1-CG2 3.86Å; F52-V89 HydrophobicContact CE1-CG1 3.86Å; F52-V89 HydrophobicContact CE1-CG2 4.02Å; F52-I102 HydrophobicContact CE2-CD1 3.79Å; F52-I102 HydrophobicContact CZ-CD1 3.7Å; F52-P104 HydrophobicContact CE1-CB 4.32Å; F52-P104 HydrophobicContact CZ-CB 4.19Å
53G92.3Very high92.8Very high37 Ų3750.9 Ų50.938%0.38128%0.279SS..Hα-helixtrans-55.5-29174.300000114.2G49 E50 F55 G56G49-G53 PolarHBondContact O-N 3.23Å; E50-G53 PolarHBondContact O-N 3.42Å; G53-F55 PolarHBondContact O-N 3.35Å; G53-G56 WeakPolarHBondContact CA-O 3.19Å; G53-G56 PolarHBondContact O-N 3.25Å
54Q92.2Very high92.9Very high126 Ų12653.3 Ų53.359%0.58929%0.291SS*.THydrogen-bonded Turntrans-65.2-20.2176.281-165.4-7.300113.9Y51 F52Y51-Q54 VanDerWaalsContact O-CD 3.28Å; Y51-Q54 VanDerWaalsContact O-CG 3.25Å; Y51-Q54 WeakPolarHBondContact O-CG 3.13Å; Y51-Q54 PolarHBondContact O-NE2 3.35Å; F52-Q54 PolarHBondContact O-N 3.43Å; F52-Q54 VanDerWaalsContact O-N 3.16Å
55F92.3Very high92.9Very high21 Ų2157 Ų579%0.09230%0.3CS..THydrogen-bonded Turntrans-91.2-26.9175.6-57.6-79.5000112.1Y51 F52 G53 F80 S85 K88 V89 H92 H95Y51-F55 HydrophobicContact CE1-CE2 4.22Å; F52-F55 AromaticContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CE2 4.18Å; F52-F55 HydrophobicContact CE1-CE2 4.44Å; F52-F55 PolarHBondContact O-N 2.99Å; G53-F55 PolarHBondContact O-N 3.35Å; F55-F80 HydrophobicContact CB-CE1 4.41Å; F55-F80 HydrophobicContact CB-CZ 4.29Å; F55-S85 PolarHBondContact O-OG 3.25Å; F55-K88 HydrophobicContact CB-CB 4.35Å; F55-K88 HydrophobicContact CD1-CB 4.15Å; F55-K88 WeakPolarHBondContact O-CD 3.24Å; F55-K88 PolarHBondContact O-NZ 3.47Å; F55-V89 HydrophobicContact CB-CG2 3.83Å; F55-V89 HydrophobicContact CD1-CG2 4.16Å; F55-V89 HydrophobicContact CD2-CG2 3.69Å; F55-V89 HydrophobicContact CE2-CG2 4.29Å; F55-V89 HydrophobicContact CG-CG2 3.61Å; F55-H92 HydrophobicContact CE1-CB 4.31Å; F55-H95 AromaticContact CE2-CE1 3.76Å; F55-H95 AromaticContact CE2-ND1 3.91Å; F55-H95 AromaticContact CZ-CE1 3.38Å; F55-H95 WeakPolarHBondContact CZ-CE1 3.41Å; F55-H95 AromaticContact CZ-ND1 3.71Å
56G92Very high92.7Very high15 Ų1556.3 Ų56.316%0.15530%0.295CS..SBendtrans164.2177.6174.500000112.5G53 V58 F80G53-G56 WeakPolarHBondContact CA-O 3.19Å; G53-G56 PolarHBondContact O-N 3.25Å; G56-V58 PolarHBondContact O-N 2.67Å; G56-F80 WeakPolarHBondContact O-CE1 3.42Å
57Q93.8Very high92.5Very high143 Ų14354.4 Ų54.467%0.66829%0.294SS*.  trans-64.6121.4-174.2-172.2175.712.900111.9F80 A81Q57-F80 CarbonylContact O-C 3.5Å; Q57-F80 WeakPolarHBondContact O-CA 3.38Å; Q57-A81 HydrophobicContact CB-CB 4.16Å; Q57-A81 HydrophobicContact CG-CB 4.49Å; Q57-A81 PolarHBondContact O-N 3.36Å
58V94.1Very high92.5Very high35 Ų3560 Ų6021%0.21232%0.321CS..EExtended strand (participates in β ladder)trans-88.1127.3174.7-178.80000109.2F52 G56 E60 C61 F80F52-V58 HydrophobicContact CB-CG2 4.13Å; G56-V58 PolarHBondContact O-N 2.67Å; V58-E60 WeakPolarHBondContact CG1-O 3.44Å; V58-C61 HydrophobicContact CG1-CB 4.04Å; V58-F80 HydrophobicContact CG2-CD1 4.1Å; V58-F80 HydrophobicContact CG2-CE1 3.83Å
59T93Very high92.4Very high75 Ų7564.2 Ų64.246%0.4635%0.348SS..EExtended strand (participates in β ladder)trans-98.6-30.9178.361.40000113.2R79 A81T59-R79 PolarHBondContact N-O 2.83Å; T59-R79 PolarHBondContact OG1-NH1 3.29Å; T59-R79 PolarHBondContact OG1-O 3.37Å; T59-A81 HydrophobicContact CG2-CB 3.74Å
60E92.2Very high92.1Very high72 Ų7270.3 Ų70.334%0.33637%0.37SS..EExtended strand (participates in β ladder)trans-139.2138.2176.8-162.9-160.9161.200108.1K33 V58 V62 I78 R79K33-E60 WeakPolarHBondContact CE-OE2 3.44Å; K33-E60 IonicContact NZ-OE1 3.93Å; K33-E60 IonicContact NZ-OE2 3.1Å; K33-E60 PolarHBondContact NZ-OE2 3.28Å; K33-E60 VanDerWaalsContact NZ-OE2 3.1Å; V58-E60 WeakPolarHBondContact CG1-O 3.44Å; E60-V62 HydrophobicContact CG-CG2 4.22Å; E60-I78 CarbonylContact O-C 3.58Å; E60-I78 VanDerWaalsContact O-CA 3.3Å; E60-I78 WeakPolarHBondContact O-CA 3.49Å; E60-R79 HydrophobicContact CB-CB 3.58Å; E60-R79 PolarHBondContact N-O 3.48Å; E60-R79 PolarHBondContact O-N 3.18Å
61C93Very high91.9Very high40 Ų4069.6 Ų69.627%0.2737%0.365SS..EExtended strand (participates in β ladder)trans-143.3133.2168.150.20000110.2V45 V58 F77 I78V45-C61 HydrophobicContact CG1-CB 4.2Å; V45-C61 VanDerWaalsContact CG1-O 3.27Å; V45-C61 WeakPolarHBondContact CG1-O 3.15Å; V45-C61 WeakPolarHBondContact CG1-SG 3.31Å; V58-C61 HydrophobicContact CG1-CB 4.04Å; C61-F77 WeakPolarHBondContact CA-O 3.46Å; C61-I78 HydrophobicContact CB-CG2 4.11Å
62V92.3Very high91.7Very high51 Ų5167.9 Ų67.931%0.30936%0.359SS..EExtended strand (participates in β ladder)trans-143.2115.1-172.5-177.60000110.1E60 M64 G76 F77E60-V62 HydrophobicContact CG-CG2 4.22Å; V62-M64 HydrophobicContact CG1-SD 4.05Å; V62-G76 CarbonylContact O-C 3.53Å; V62-G76 WeakPolarHBondContact O-CA 3.45Å; V62-F77 PolarHBondContact N-O 2.88Å; V62-F77 PolarHBondContact O-N 2.94Å
63V93.5Very high91.5Very high9 Ų974.4 Ų74.46%0.05538%0.384CS..EExtended strand (participates in β ladder)trans-88.6118.2169.7174.90000109L39 S44 V45 L48 R65 A72L39-V63 HydrophobicContact CD1-CG1 4.5Å; L39-V63 HydrophobicContact CD1-CG2 4.23Å; S44-V63 WeakPolarHBondContact O-CG2 3.47Å; V45-V63 HydrophobicContact CG2-CB 4.09Å; V45-V63 HydrophobicContact CG2-CG2 4.07Å; L48-V63 HydrophobicContact CB-CG2 4.42Å; L48-V63 HydrophobicContact CD2-CG2 3.86Å; V63-R65 PolarHBondContact O-N 2.98Å; V63-A72 HydrophobicContact CG1-CB 3.92Å
64M92.8Very high91.5Very high51 Ų5173.3 Ų73.325%0.25137%0.372SS..EExtended strand (participates in β ladder)trans-76119-173.9-65.5-69.6-76.700110.2V62 R73 F75 F77V62-M64 HydrophobicContact CG1-SD 4.05Å; M64-R73 VanDerWaalsContact O-CB 3.29Å; M64-R73 WeakPolarHBondContact O-CB 3.18Å; M64-R73 WeakPolarHBondContact O-CG 3.36Å; M64-R73 PolarHBondContact O-N 3.2Å; M64-F75 HydrophobicContact CB-CD2 3.91Å; M64-F75 HydrophobicContact CB-CE1 4.41Å; M64-F75 HydrophobicContact CB-CE2 3.63Å; M64-F75 HydrophobicContact CB-CG 4.44Å; M64-F75 HydrophobicContact CB-CZ 3.9Å; M64-F75 WeakPolarHBondContact CB-O 3.06Å; M64-F75 HydrophobicContact CE-CE2 4.34Å; M64-F75 HydrophobicContact CG-CD2 3.81Å; M64-F75 HydrophobicContact CG-CE2 3.52Å; M64-F75 HydrophobicContact CG-CZ 4.25Å; M64-F75 PolarHBondContact N-O 3.01Å; M64-F77 HydrophobicContact CE-CE2 4.45Å; M64-F77 HydrophobicContact CG-CD2 4.02Å; M64-F77 HydrophobicContact CG-CE2 4.05Å; M64-F77 HydrophobicContact SD-CD2 4.23Å; M64-F77 HydrophobicContact SD-CE2 4.28Å
65R92.8Very high91.6Very high109 Ų10969.4 Ų69.441%0.41135%0.353SS..EExtended strand (participates in β ladder)trans-111.1156.3-178.3-69.8169-175-101.5-5.2111.3T43 V63 K71 A72 R73T43-R65 PolarHBondContact O-NH2 3.22Å; V63-R65 PolarHBondContact O-N 2.98Å; R65-K71 CarbonylContact C-O 3.48Å; R65-K71 VanDerWaalsContact CA-O 3.24Å; R65-K71 WeakPolarHBondContact CA-O 3.39Å; R65-A72 HydrophobicContact CG-CB 4.36Å; R65-R73 WeakPolarHBondContact O-CD 3.44Å
66D88.4Confident91.7Very high41 Ų4168.4 Ų68.422%0.21935%0.349CS..  trans-68.9124.9170.6171.410.6000109.3N68 T69 K70 K71D66-N68 PolarHBondContact O-N 3.38Å; D66-N68 VanDerWaalsContact O-N 3.16Å; D66-N68 PolarHBondContact OD1-N 3.23Å; D66-N68 PolarHBondContact OD1-ND2 3.36Å; D66-T69 WeakPolarHBondContact CB-OG1 3.12Å; D66-T69 VanDerWaalsContact OD2-CB 3.26Å; D66-T69 WeakPolarHBondContact OD2-CB 3.38Å; D66-T69 VanDerWaalsContact OD2-CG2 3.25Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.3Å; D66-T69 PolarHBondContact OD2-N 3.46Å; D66-T69 PolarHBondContact OD2-OG1 3.28Å; D66-K70 VanDerWaalsContact O-CA 3.24Å; D66-K70 WeakPolarHBondContact O-CA 3.45Å; D66-K70 PolarHBondContact O-N 3.08Å; D66-K71 PolarHBondContact N-O 3.41Å
67P89.4Confident91.8Very high93 Ų9369.2 Ų69.260%0.60435%0.348SS*.THydrogen-bonded Turntrans-53.6-32.7176.2-27.335.8000113.8K70P67-K70 WeakPolarHBondContact O-CE 3.46Å; P67-K70 PolarHBondContact O-NZ 2.84Å
68N91.6Very high91.8Very high140 Ų14062.4 Ų62.475%0.74932%0.317SS*.THydrogen-bonded Turntrans-87.3-62.4-175.7-55.1-61.3000111.6D66D66-N68 PolarHBondContact O-N 3.38Å; D66-N68 VanDerWaalsContact O-N 3.16Å; D66-N68 PolarHBondContact OD1-N 3.23Å; D66-N68 PolarHBondContact OD1-ND2 3.36Å
69T91.6Very high91.8Very high90 Ų9064.4 Ų64.455%0.55232%0.32SS*.THydrogen-bonded Turntrans-85.3-6.2-173.867.90000114.8D66 K71D66-T69 WeakPolarHBondContact CB-OG1 3.12Å; D66-T69 VanDerWaalsContact OD2-CB 3.26Å; D66-T69 WeakPolarHBondContact OD2-CB 3.38Å; D66-T69 VanDerWaalsContact OD2-CG2 3.25Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.3Å; D66-T69 PolarHBondContact OD2-N 3.46Å; D66-T69 PolarHBondContact OD2-OG1 3.28Å; T69-K71 PolarHBondContact O-N 2.85Å
70K87.1Confident91.8Very high141 Ų14161 Ų6161%0.61330%0.299SS*.  trans57.60.2-175.5-48.9-54-173.7-168.10116.3D66 P67D66-K70 VanDerWaalsContact O-CA 3.24Å; D66-K70 WeakPolarHBondContact O-CA 3.45Å; D66-K70 PolarHBondContact O-N 3.08Å; P67-K70 WeakPolarHBondContact O-CE 3.46Å; P67-K70 PolarHBondContact O-NZ 2.84Å
71K87.7Confident91.8Very high132 Ų13259.9 Ų59.957%0.57430%0.302SS*.  trans-60.3144.4171.2-90.2-172170.1-175.40111.2R65 D66 T69R65-K71 CarbonylContact C-O 3.48Å; R65-K71 VanDerWaalsContact CA-O 3.24Å; R65-K71 WeakPolarHBondContact CA-O 3.39Å; D66-K71 PolarHBondContact N-O 3.41Å; T69-K71 PolarHBondContact O-N 2.85Å
72A89.2Confident91.8Very high5 Ų562.4 Ų62.44%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-66.9136.6169.900000110.8V63 R65 G74V63-A72 HydrophobicContact CG1-CB 3.92Å; R65-A72 HydrophobicContact CG-CB 4.36Å; A72-G74 PolarHBondContact O-N 3.41Å
73R90.6Very high91.7Very high137 Ų13763.2 Ų63.252%0.51732%0.318SS..EExtended strand (participates in β ladder)trans-83.85.8-175.7-63169.962-179.4-1.6113.3M64 R65 F75M64-R73 VanDerWaalsContact O-CB 3.29Å; M64-R73 WeakPolarHBondContact O-CB 3.18Å; M64-R73 WeakPolarHBondContact O-CG 3.36Å; M64-R73 PolarHBondContact O-N 3.2Å; R65-R73 WeakPolarHBondContact O-CD 3.44Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-F75 HydrophobicContact CB-CD1 3.83Å; R73-F75 HydrophobicContact CB-CE1 3.6Å
74G92.3Very high91.7Very high14 Ų1466.4 Ų66.414%0.14434%0.341CS..EExtended strand (participates in β ladder)trans76.716.2-176.900000114.7G38 L39 A72G38-G74 PolarHBondContact N-O 2.95Å; L39-G74 PolarHBondContact N-O 3.24Å; A72-G74 PolarHBondContact O-N 3.41Å
75F94Very high91.6Very high43 Ų4364 Ų6419%0.18933%0.329CS..EExtended strand (participates in β ladder)trans-149.4162.4173.370.4-87.1000112.3F35 I36 M64 R73 F77F35-F75 HydrophobicContact CD2-CD2 4.31Å; F35-F75 HydrophobicContact CE2-CB 3.87Å; F35-F75 AromaticContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CE2 4.29Å; F35-F75 AromaticContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CZ-CB 3.87Å; F35-F75 HydrophobicContact CZ-CD2 4.35Å; F35-F75 HydrophobicContact CZ-CG 4.28Å; I36-F75 CarbonylContact O-C 3.53Å; I36-F75 WeakPolarHBondContact O-CA 3.32Å; I36-F75 WeakPolarHBondContact O-CB 3.25Å; M64-F75 HydrophobicContact CB-CD2 3.91Å; M64-F75 HydrophobicContact CB-CE1 4.41Å; M64-F75 HydrophobicContact CB-CE2 3.63Å; M64-F75 HydrophobicContact CB-CG 4.44Å; M64-F75 HydrophobicContact CB-CZ 3.9Å; M64-F75 WeakPolarHBondContact CB-O 3.06Å; M64-F75 HydrophobicContact CE-CE2 4.34Å; M64-F75 HydrophobicContact CG-CD2 3.81Å; M64-F75 HydrophobicContact CG-CE2 3.52Å; M64-F75 HydrophobicContact CG-CZ 4.25Å; M64-F75 PolarHBondContact N-O 3.01Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-F75 HydrophobicContact CB-CD1 3.83Å; R73-F75 HydrophobicContact CB-CE1 3.6Å; F75-F77 HydrophobicContact CD2-CE2 4.44Å; F75-F77 HydrophobicContact CE2-CE2 4.23Å
76G93.9Very high91.6Very high0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-151.9-177.6176.900000112.5I36 V62I36-G76 PolarHBondContact N-O 3.34Å; I36-G76 PolarHBondContact O-N 2.89Å; V62-G76 CarbonylContact O-C 3.53Å; V62-G76 WeakPolarHBondContact O-CA 3.45Å
77F94.5Very high91.7Very high32 Ų3261.9 Ų61.914%0.1432%0.323CS..EExtended strand (participates in β ladder)trans-128.4148.3171.2-64.9-87.3000109.7M34 F35 C61 V62 M64 F75 A107M34-F77 VanDerWaalsContact O-CA 3.28Å; M34-F77 WeakPolarHBondContact O-CA 3.3Å; F35-F77 HydrophobicContact CB-CD1 4.26Å; F35-F77 HydrophobicContact CB-CE1 4.02Å; F35-F77 HydrophobicContact CD2-CD1 4.48Å; F35-F77 AromaticContact CD2-CE1 3.84Å; F35-F77 HydrophobicContact CD2-CE1 3.84Å; F35-F77 AromaticContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CG-CE1 4.44Å; C61-F77 WeakPolarHBondContact CA-O 3.46Å; V62-F77 PolarHBondContact N-O 2.88Å; V62-F77 PolarHBondContact O-N 2.94Å; M64-F77 HydrophobicContact CE-CE2 4.45Å; M64-F77 HydrophobicContact CG-CD2 4.02Å; M64-F77 HydrophobicContact CG-CE2 4.05Å; M64-F77 HydrophobicContact SD-CD2 4.23Å; M64-F77 HydrophobicContact SD-CE2 4.28Å; F75-F77 HydrophobicContact CD2-CE2 4.44Å; F75-F77 HydrophobicContact CE2-CE2 4.23Å; F77-A107 HydrophobicContact CD1-CB 4.29Å; F77-A107 HydrophobicContact CE1-CB 4.38Å
78I94Very high91.9Very high0 Ų062.5 Ų62.50%032%0.316CS..EExtended strand (participates in β ladder)trans-131.4156.9168.364.4179.9000109.1K33 M34 I36 L48 F52 E60 C61 F80K33-I78 CarbonylContact C-O 3.57Å; K33-I78 WeakPolarHBondContact CA-O 3.39Å; M34-I78 HydrophobicContact CB-CD1 4.31Å; M34-I78 HydrophobicContact CB-CG1 3.81Å; M34-I78 PolarHBondContact N-O 2.81Å; M34-I78 PolarHBondContact O-N 3.16Å; I36-I78 HydrophobicContact CD1-CD1 3.72Å; I36-I78 HydrophobicContact CD1-CG1 3.94Å; I36-I78 HydrophobicContact CG1-CD1 4.26Å; I36-I78 HydrophobicContact CG1-CG1 4.18Å; I36-I78 HydrophobicContact CG1-CG2 4.24Å; L48-I78 HydrophobicContact CD2-CG2 3.9Å; L48-I78 HydrophobicContact CG-CG2 4.01Å; F52-I78 HydrophobicContact CB-CD1 3.72Å; F52-I78 HydrophobicContact CD1-CD1 3.55Å; F52-I78 HydrophobicContact CD2-CD1 3.71Å; F52-I78 HydrophobicContact CD2-CG2 4.31Å; F52-I78 HydrophobicContact CE1-CD1 4.11Å; F52-I78 HydrophobicContact CE2-CD1 4.25Å; F52-I78 HydrophobicContact CG-CD1 3.34Å; F52-I78 HydrophobicContact CZ-CD1 4.43Å; E60-I78 CarbonylContact O-C 3.58Å; E60-I78 VanDerWaalsContact O-CA 3.3Å; E60-I78 WeakPolarHBondContact O-CA 3.49Å; C61-I78 HydrophobicContact CB-CG2 4.11Å; I78-F80 HydrophobicContact CD1-CD2 4.45Å; I78-F80 HydrophobicContact CD1-CE2 3.62Å; I78-F80 HydrophobicContact CD1-CZ 3.83Å; I78-F80 HydrophobicContact CG1-CE2 4.33Å
79R93.5Very high91.9Very high78 Ų7855.9 Ų55.929%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-134.5111.7176.4-169.9-176.1-178-84.3-2.2109.1D30 G32 T59 E60D30-R79 VanDerWaalsContact CG-NE 3.27Å; D30-R79 IonicContact OD1-CZ 2.65Å; D30-R79 IonicContact OD1-NE 2.66Å; D30-R79 PolarHBondContact OD1-NE 3.45Å; D30-R79 IonicContact OD1-NH2 2.69Å; D30-R79 PolarHBondContact OD1-NH2 3.48Å; D30-R79 IonicContact OD2-CZ 2.66Å; D30-R79 IonicContact OD2-NE 3.36Å; D30-R79 PolarHBondContact OD2-NE 3.15Å; D30-R79 IonicContact OD2-NH2 2.81Å; G32-R79 WeakPolarHBondContact O-CA 3.29Å; T59-R79 PolarHBondContact N-O 2.83Å; T59-R79 PolarHBondContact OG1-NH1 3.29Å; T59-R79 PolarHBondContact OG1-O 3.37Å; E60-R79 HydrophobicContact CB-CB 3.58Å; E60-R79 PolarHBondContact N-O 3.48Å; E60-R79 PolarHBondContact O-N 3.18Å
80F94.4Very high91.9Very high3 Ų355.7 Ų55.71%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-75.1156.7174.4-70.8-75.5000111.7G32 M34 F52 F55 G56 Q57 V58 I78 D82 S85 V86 V89G32-F80 PolarHBondContact O-N 3.4Å; M34-F80 HydrophobicContact SD-CD2 4.41Å; M34-F80 HydrophobicContact SD-CE2 3.88Å; F52-F80 HydrophobicContact CB-CE1 4.39Å; F52-F80 HydrophobicContact CB-CZ 4.01Å; F52-F80 HydrophobicContact CD1-CZ 4.15Å; F52-F80 HydrophobicContact CG-CZ 4.48Å; F52-F80 WeakPolarHBondContact O-CE1 3.41Å; F55-F80 HydrophobicContact CB-CE1 4.41Å; F55-F80 HydrophobicContact CB-CZ 4.29Å; G56-F80 WeakPolarHBondContact O-CE1 3.42Å; Q57-F80 CarbonylContact O-C 3.5Å; Q57-F80 WeakPolarHBondContact O-CA 3.38Å; V58-F80 HydrophobicContact CG2-CD1 4.1Å; V58-F80 HydrophobicContact CG2-CE1 3.83Å; I78-F80 HydrophobicContact CD1-CD2 4.45Å; I78-F80 HydrophobicContact CD1-CE2 3.62Å; I78-F80 HydrophobicContact CD1-CZ 3.83Å; I78-F80 HydrophobicContact CG1-CE2 4.33Å; F80-D82 WeakPolarHBondContact CB-O 3.49Å; F80-S85 VanDerWaalsContact CD1-CB 3.44Å; F80-S85 VanDerWaalsContact CG-CB 3.46Å; F80-V86 HydrophobicContact CD2-CG2 3.94Å; F80-V89 HydrophobicContact CE2-CG2 3.91Å; F80-V89 HydrophobicContact CZ-CG2 3.81Å
81A92.2Very high92.1Very high49 Ų4958.1 Ų58.141%0.40528%0.281SS..SBendtrans-67.2-47.4166.200000110.4Q57 T59Q57-A81 HydrophobicContact CB-CB 4.16Å; Q57-A81 HydrophobicContact CG-CB 4.49Å; Q57-A81 PolarHBondContact O-N 3.36Å; T59-A81 HydrophobicContact CG2-CB 3.74Å
82D92.2Very high92.2Very high92 Ų9256 Ų5649%0.49227%0.273SS..SBendtrans-100.9128.1178.7-57.5-56000112F80 S84 S85F80-D82 WeakPolarHBondContact CB-O 3.49Å; D82-S84 PolarHBondContact O-N 3.42Å; D82-S85 WeakPolarHBondContact O-CB 3.29Å; D82-S85 PolarHBondContact O-N 3.31Å
83T90.7Very high91.9Very high69 Ų6961.3 Ų61.342%0.42331%0.307SS..Hα-helixtrans-55-32.5168.2-49.70000111.9P31 S85 V86P31-T83 HydrophobicContact CB-CG2 3.99Å; P31-T83 HydrophobicContact CG-CG2 4.49Å; T83-S85 PolarHBondContact O-N 3.29Å; T83-V86 VanDerWaalsContact O-CB 3.27Å; T83-V86 WeakPolarHBondContact O-CB 3.25Å; T83-V86 PolarHBondContact O-N 2.99Å
84S92Very high91.8Very high75 Ų7557.6 Ų57.652%0.52430%0.302SS..Hα-helixtrans-55.6-22.8174.8-49.80000114D82 K88D82-S84 PolarHBondContact O-N 3.42Å; S84-K88 WeakPolarHBondContact O-CG 3.26Å; S84-K88 PolarHBondContact O-N 2.97Å
85S92.6Very high91.8Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-77.7-30.4176.2-57.90000112.6F55 F80 D82 T83 E87 K88 V89F55-S85 PolarHBondContact O-OG 3.25Å; F80-S85 VanDerWaalsContact CD1-CB 3.44Å; F80-S85 VanDerWaalsContact CG-CB 3.46Å; D82-S85 WeakPolarHBondContact O-CB 3.29Å; D82-S85 PolarHBondContact O-N 3.31Å; T83-S85 PolarHBondContact O-N 3.29Å; S85-E87 VanDerWaalsContact C-N 3.3Å; S85-E87 PolarHBondContact O-N 3.41Å; S85-K88 PolarHBondContact O-N 2.96Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.41Å; S85-V89 VanDerWaalsContact O-N 3.08Å
86V91.5Very high91.7Very high7 Ų761 Ų614%0.04232%0.315CS..Hα-helixtrans-60.3-42.8171.8178.50000110.2M34 F80 T83 V89 L90 V106M34-V86 HydrophobicContact CE-CG1 4Å; M34-V86 HydrophobicContact CG-CB 4.39Å; M34-V86 HydrophobicContact CG-CG1 3.92Å; M34-V86 HydrophobicContact CG-CG2 3.9Å; M34-V86 HydrophobicContact SD-CB 4.13Å; M34-V86 HydrophobicContact SD-CG1 3.81Å; M34-V86 HydrophobicContact SD-CG2 4.11Å; F80-V86 HydrophobicContact CD2-CG2 3.94Å; T83-V86 VanDerWaalsContact O-CB 3.27Å; T83-V86 WeakPolarHBondContact O-CB 3.25Å; T83-V86 PolarHBondContact O-N 2.99Å; V86-V89 PolarHBondContact O-N 3.17Å; V86-L90 HydrophobicContact CG1-CD1 3.89Å; V86-L90 HydrophobicContact CG1-CG 4.47Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.49Å; V86-L90 PolarHBondContact O-N 3.32Å; V86-V106 HydrophobicContact CG1-CG2 4.33Å
87E91.1Very high91.6Very high100 Ų10061.9 Ų61.947%0.46732%0.319SS..Hα-helixtrans-63.7-41.8174.8-72-167.2-142.600113.1S85 V89 L90 R91S85-E87 VanDerWaalsContact C-N 3.3Å; S85-E87 PolarHBondContact O-N 3.41Å; E87-V89 VanDerWaalsContact C-N 3.29Å; E87-V89 PolarHBondContact O-N 2.8Å; E87-L90 PolarHBondContact O-N 3.05Å; E87-R91 WeakPolarHBondContact O-CB 3.24Å; E87-R91 WeakPolarHBondContact O-CD 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 3.15Å; E87-R91 IonicContact OE2-CZ 3.56Å; E87-R91 IonicContact OE2-NE 3.65Å; E87-R91 IonicContact OE2-NH2 2.67Å; E87-R91 PolarHBondContact OE2-NH2 2.58Å
88K92.3Very high91.3Very high106 Ų10663.7 Ų63.746%0.46133%0.331SS..Hα-helixtrans-61-39.6177.5-66.8169.2-168.1168.40111.8F55 S84 S85F55-K88 HydrophobicContact CB-CB 4.35Å; F55-K88 HydrophobicContact CD1-CB 4.15Å; F55-K88 WeakPolarHBondContact O-CD 3.24Å; F55-K88 PolarHBondContact O-NZ 3.47Å; S84-K88 WeakPolarHBondContact O-CG 3.26Å; S84-K88 PolarHBondContact O-N 2.97Å; S85-K88 PolarHBondContact O-N 2.96Å
89V93Very high91.1Very high0 Ų066.7 Ų66.70%036%0.362CS..Hα-helixtrans-62.8-54.6173.2172.20000110.1M34 F52 F55 F80 S85 V86 E87 R91 H92 H95 P104M34-V89 HydrophobicContact CE-CB 4.15Å; M34-V89 HydrophobicContact CE-CG1 3.66Å; M34-V89 HydrophobicContact SD-CB 3.96Å; M34-V89 HydrophobicContact SD-CG1 3.87Å; M34-V89 HydrophobicContact SD-CG2 4.27Å; F52-V89 HydrophobicContact CD1-CG2 3.86Å; F52-V89 HydrophobicContact CE1-CG1 3.86Å; F52-V89 HydrophobicContact CE1-CG2 4.02Å; F55-V89 HydrophobicContact CB-CG2 3.83Å; F55-V89 HydrophobicContact CD1-CG2 4.16Å; F55-V89 HydrophobicContact CD2-CG2 3.69Å; F55-V89 HydrophobicContact CE2-CG2 4.29Å; F55-V89 HydrophobicContact CG-CG2 3.61Å; F80-V89 HydrophobicContact CE2-CG2 3.91Å; F80-V89 HydrophobicContact CZ-CG2 3.81Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.41Å; S85-V89 VanDerWaalsContact O-N 3.08Å; V86-V89 PolarHBondContact O-N 3.17Å; E87-V89 VanDerWaalsContact C-N 3.29Å; E87-V89 PolarHBondContact O-N 2.8Å; V89-R91 PolarHBondContact O-N 2.75Å; V89-R91 VanDerWaalsContact O-N 3.17Å; V89-H92 WeakPolarHBondContact O-CB 3.21Å; V89-H92 PolarHBondContact O-N 3.05Å; V89-H95 PolarHBondContact O-NE2 2.82Å; V89-H95 VanDerWaalsContact O-NE2 3.1Å; V89-P104 HydrophobicContact CG1-CB 3.67Å; V89-P104 HydrophobicContact CG1-CG 3.61Å
90L90.7Very high91Very high87 Ų8766.9 Ų66.946%0.45537%0.365SS..Hα-helixtrans-64.4-22.7-176.9-66.6171.1000114.3M34 V86 E87 H92 V106M34-L90 HydrophobicContact CE-CD2 3.82Å; M34-L90 HydrophobicContact CE-CG 3.9Å; V86-L90 HydrophobicContact CG1-CD1 3.89Å; V86-L90 HydrophobicContact CG1-CG 4.47Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.49Å; V86-L90 PolarHBondContact O-N 3.32Å; E87-L90 PolarHBondContact O-N 3.05Å; L90-H92 VanDerWaalsContact C-N 3.32Å; L90-V106 HydrophobicContact CD1-CG2 3.77Å
91R91.7Very high91Very high191 Ų19173.5 Ų73.572%0.72139%0.394SS*.THydrogen-bonded Turntrans-77.2-13.8172.7-70.3166.9-168.6-144.49.5113.3E87 V89E87-R91 WeakPolarHBondContact O-CB 3.24Å; E87-R91 WeakPolarHBondContact O-CD 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 3.15Å; E87-R91 IonicContact OE2-CZ 3.56Å; E87-R91 IonicContact OE2-NE 3.65Å; E87-R91 IonicContact OE2-NH2 2.67Å; E87-R91 PolarHBondContact OE2-NH2 2.58Å; V89-R91 PolarHBondContact O-N 2.75Å; V89-R91 VanDerWaalsContact O-N 3.17Å
92H90.5Very high91.1Very high88 Ų8871.4 Ų71.441%0.40738%0.375SS..SBendtrans-87.3123.7-178.4-156.8-94.1000110.3F55 V89 L90 S94F55-H92 HydrophobicContact CE1-CB 4.31Å; V89-H92 WeakPolarHBondContact O-CB 3.21Å; V89-H92 PolarHBondContact O-N 3.05Å; L90-H92 VanDerWaalsContact C-N 3.32Å; H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact CE1-O 3.16Å; H92-S94 VanDerWaalsContact CE1-O 3.28Å; H92-S94 PolarHBondContact ND1-O 3.41Å; H92-S94 PolarHBondContact O-N 2.89Å
93P81.9Confident91.1Very high116 Ų11670.6 Ų70.675%0.75337%0.371SS*.SBendtrans-74.3-15.6-164.929.2-37.1000114.8
94S88.8Confident91.2Very high59 Ų5968 Ų6841%0.41336%0.355SS..  trans-157.6138177.251.20000110.4H92H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact CE1-O 3.16Å; H92-S94 VanDerWaalsContact CE1-O 3.28Å; H92-S94 PolarHBondContact ND1-O 3.41Å; H92-S94 PolarHBondContact O-N 2.89Å
95H92.5Very high91.2Very high5 Ų569.2 Ų69.22%0.02335%0.351CS..EExtended strand (participates in β ladder)trans-117.1143.2170.1-65.2-89.3000109.4Y51 F55 V89 K101 I102 P104Y51-H95 HydrophobicContact CE1-CB 4.09Å; Y51-H95 AromaticContact CE1-ND1 3.63Å; Y51-H95 AromaticContact CZ-ND1 3.81Å; Y51-H95 WeakPolarHBondContact OH-CA 3.46Å; Y51-H95 WeakPolarHBondContact OH-CB 3.42Å; Y51-H95 PolarHBondContact OH-ND1 2.96Å; Y51-H95 VanDerWaalsContact OH-ND1 3.1Å; F55-H95 AromaticContact CE2-CE1 3.76Å; F55-H95 AromaticContact CE2-ND1 3.91Å; F55-H95 AromaticContact CZ-CE1 3.38Å; F55-H95 WeakPolarHBondContact CZ-CE1 3.41Å; F55-H95 AromaticContact CZ-ND1 3.71Å; V89-H95 PolarHBondContact O-NE2 2.82Å; V89-H95 VanDerWaalsContact O-NE2 3.1Å; H95-K101 CarbonylContact O-C 3.57Å; H95-K101 VanDerWaalsContact O-CA 3.3Å; H95-K101 WeakPolarHBondContact O-CA 3.22Å; H95-K101 WeakPolarHBondContact O-CG 3.49Å; H95-I102 HydrophobicContact CB-CD1 3.99Å; H95-I102 HydrophobicContact CB-CG1 3.38Å; H95-I102 PolarHBondContact O-N 3.18Å; H95-P104 WeakPolarHBondContact CD2-CG 3.43Å
96E92.4Very high91.1Very high124 Ų12472.8 Ų72.858%0.57937%0.373SS*.EExtended strand (participates in β ladder)trans-139.3134.2179.2-168.7172.6152.600109.4Y51 K100Y51-E96 VanDerWaalsContact CE2-O 3.25Å; Y51-E96 WeakPolarHBondContact CE2-O 3.38Å; Y51-E96 PolarHBondContact OH-N 2.88Å; E96-K100 VanDerWaalsContact CA-O 3.32Å; E96-K100 WeakPolarHBondContact CA-O 3.28Å; E96-K100 WeakPolarHBondContact CG-O 3.3Å
97L91.3Very high90.9Very high18 Ų1873 Ų739%0.09438%0.376CS..EExtended strand (participates in β ladder)trans-146.1135.9-179.2-174.759.6000108.3T43 L48 Y51 G99 K100 I102T43-L97 HydrophobicContact CG2-CD2 3.7Å; T43-L97 HydrophobicContact CG2-CG 4.36Å; L48-L97 HydrophobicContact CD1-CD2 3.97Å; Y51-L97 HydrophobicContact CD2-CD1 4.25Å; Y51-L97 HydrophobicContact CG-CD1 4.11Å; L97-G99 PolarHBondContact O-N 2.91Å; L97-K100 PolarHBondContact N-O 2.97Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-I102 HydrophobicContact CB-CD1 4.07Å; L97-I102 HydrophobicContact CB-CG2 4.15Å; L97-I102 HydrophobicContact CD2-CD1 4.44Å
98D89.3Confident90.4Very high70 Ų7077.2 Ų77.237%0.37439%0.392SS..THydrogen-bonded Turntrans50.635.8-176.2-47.9-35.1000114.4T43 K100T43-D98 WeakPolarHBondContact CA-OD2 3.35Å; T43-D98 WeakPolarHBondContact CB-OD2 3.08Å; T43-D98 PolarHBondContact N-OD2 3.46Å; T43-D98 PolarHBondContact OG1-OD2 3.17Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.04Å
99G88.9Confident89.5Confident63 Ų6375.2 Ų75.265%0.64939%0.391SS*.THydrogen-bonded Turntrans69.620.1-176.700000114.6L97L97-G99 PolarHBondContact O-N 2.91Å
100K91.9Very high88.1Confident83 Ų8380.5 Ų80.536%0.36141%0.414SS..EExtended strand (participates in β ladder)trans-124135.1173.1-67.1-161-173.6-1740111.9E96 L97 D98 I102E96-K100 VanDerWaalsContact CA-O 3.32Å; E96-K100 WeakPolarHBondContact CA-O 3.28Å; E96-K100 WeakPolarHBondContact CG-O 3.3Å; L97-K100 PolarHBondContact N-O 2.97Å; L97-K100 PolarHBondContact O-N 2.95Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.04Å; K100-I102 PolarHBondContact O-N 2.87Å
101K93.1Very high86.5Confident142 Ų14286.9 Ų86.962%0.61743%0.432SS*.EExtended strand (participates in β ladder)trans-66123.1168.3-172.6171.1-176170.70110H95H95-K101 CarbonylContact O-C 3.57Å; H95-K101 VanDerWaalsContact O-CA 3.3Å; H95-K101 WeakPolarHBondContact O-CA 3.22Å; H95-K101 WeakPolarHBondContact O-CG 3.49Å
102I94.4Very high84.8Confident4 Ų483.5 Ų83.52%0.02143%0.427CS..EExtended strand (participates in β ladder)trans-105.2156178.169.7178.8000110.6I36 G37 L39 Y51 F52 H95 L97 K100 P104I36-I102 HydrophobicContact CG2-CB 4.34Å; I36-I102 HydrophobicContact CG2-CD1 3.96Å; I36-I102 HydrophobicContact CG2-CG1 4.43Å; G37-I102 WeakPolarHBondContact O-CA 3.48Å; G37-I102 WeakPolarHBondContact O-CB 3.32Å; L39-I102 HydrophobicContact CD2-CB 4.4Å; L39-I102 HydrophobicContact CD2-CD1 4.46Å; L39-I102 HydrophobicContact CD2-CG2 3.88Å; Y51-I102 HydrophobicContact CD1-CD1 4.24Å; Y51-I102 HydrophobicContact CE1-CD1 4Å; F52-I102 HydrophobicContact CE2-CD1 3.79Å; F52-I102 HydrophobicContact CZ-CD1 3.7Å; H95-I102 HydrophobicContact CB-CD1 3.99Å; H95-I102 HydrophobicContact CB-CG1 3.38Å; H95-I102 PolarHBondContact O-N 3.18Å; L97-I102 HydrophobicContact CB-CD1 4.07Å; L97-I102 HydrophobicContact CB-CG2 4.15Å; L97-I102 HydrophobicContact CD2-CD1 4.44Å; K100-I102 PolarHBondContact O-N 2.87Å; I102-P104 WeakPolarHBondContact O-CD 3.37Å
103D92.3Very high82.8Confident75 Ų7586.6 Ų86.640%0.40144%0.442SS..EExtended strand (participates in β ladder)trans-124.882.6-169.2177.529.7000109.5G37 K105G37-D103 PolarHBondContact N-O 2.94Å; G37-D103 PolarHBondContact O-N 3.13Å; D103-K105 WeakPolarHBondContact OD1-CE 3.4Å; D103-K105 IonicContact OD1-NZ 3.04Å; D103-K105 PolarHBondContact OD1-NZ 3.25Å; D103-K105 IonicContact OD2-NZ 2.66Å; D103-K105 PolarHBondContact OD2-NZ 3.49Å
104P93.1Very high81.2Confident15 Ų1585.6 Ų85.610%0.09744%0.435CS..EExtended strand (participates in β ladder)trans-81130.3179.731.9-32.4000111.3M34 F35 I36 F52 V89 H95 I102M34-P104 HydrophobicContact CE-CB 4.1Å; F35-P104 WeakPolarHBondContact O-CA 3.27Å; I36-P104 HydrophobicContact CD1-CB 3.6Å; F52-P104 HydrophobicContact CE1-CB 4.32Å; F52-P104 HydrophobicContact CZ-CB 4.19Å; V89-P104 HydrophobicContact CG1-CB 3.67Å; V89-P104 HydrophobicContact CG1-CG 3.61Å; H95-P104 WeakPolarHBondContact CD2-CG 3.43Å; I102-P104 WeakPolarHBondContact O-CD 3.37Å
105K91.7Very high79.1Confident101 Ų10192.3 Ų92.344%0.43946%0.457SS..EExtended strand (participates in β ladder)trans-133.7156.5-179.3-77.4163.9175155.90109.8M34 F35 D103 A107M34-K105 CarbonylContact C-O 3.55Å; M34-K105 VanDerWaalsContact CA-O 3.3Å; M34-K105 WeakPolarHBondContact CA-O 3.4Å; M34-K105 WeakPolarHBondContact CB-O 3.45Å; F35-K105 PolarHBondContact N-O 3.03Å; F35-K105 PolarHBondContact O-N 2.81Å; D103-K105 WeakPolarHBondContact OD1-CE 3.4Å; D103-K105 IonicContact OD1-NZ 3.04Å; D103-K105 PolarHBondContact OD1-NZ 3.25Å; D103-K105 IonicContact OD2-NZ 2.66Å; D103-K105 PolarHBondContact OD2-NZ 3.49Å; K105-A107 PolarHBondContact O-N 2.83Å
106V90.2Very high77.1Confident75 Ų7598.3 Ų98.346%0.45549%0.486SS..EExtended strand (participates in β ladder)trans-52.6130.8166.9-176.90000107.9V86 L90 F108V86-V106 HydrophobicContact CG1-CG2 4.33Å; L90-V106 HydrophobicContact CD1-CG2 3.77Å; V106-F108 PolarHBondContact O-N 2.86Å; V106-F108 VanDerWaalsContact O-N 3.13Å
107A87.2Confident75.4Confident12 Ų1295.3 Ų95.310%0.09948%0.477CS..PPolyproline II helixtrans-68.1116.317500000107.6K33 F35 F77 K105K33-A107 HydrophobicContact CB-CB 4.04Å; K33-A107 HydrophobicContact CG-CB 4.1Å; K33-A107 WeakPolarHBondContact O-CB 3.4Å; K33-A107 PolarHBondContact O-N 2.74Å; F35-A107 HydrophobicContact CB-CB 4.5Å; F77-A107 HydrophobicContact CD1-CB 4.29Å; F77-A107 HydrophobicContact CE1-CB 4.38Å; K105-A107 PolarHBondContact O-N 2.83Å
108F80.8Confident74.2Confident187 Ų18796.5 Ų96.582%0.8249%0.485SS*.PPolyproline II helixtrans-57.1127.4159.7-69.5-73.2000107V106 K110V106-F108 PolarHBondContact O-N 2.86Å; V106-F108 VanDerWaalsContact O-N 3.13Å; F108-K110 PolarHBondContact O-N 2.85Å
109P73Confident73.4Confident65 Ų65100.3 Ų100.342%0.42250%0.498SS..PPolyproline II helixtrans-54.9139.8176.122.9-32.6000107.6R111P109-R111 PolarHBondContact O-N 2.76Å
110K65.4Low73.2Confident111 Ų11198.6 Ų98.648%0.48348%0.475SS..  trans-64.886.3165.1-66.1179.4-156.7150.50106.2D26 F108 L112D26-K110 IonicContact OD1-NZ 3.71Å; D26-K110 WeakPolarHBondContact OD2-CD 3.39Å; D26-K110 IonicContact OD2-NZ 2.61Å; D26-K110 PolarHBondContact OD2-NZ 2.71Å; F108-K110 PolarHBondContact O-N 2.85Å; K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 3.13Å
111R56.6Low73.2Confident221 Ų22198.7 Ų98.783%0.83448%0.475SS*.  trans-51.5108154.5-73.3-170.7-76.5-170.1-6.1104.1P109 Q113P109-R111 PolarHBondContact O-N 2.76Å; R111-Q113 PolarHBondContact O-N 3.34Å
112L54.7Low73.2Confident119 Ų11994.7 Ų94.762%0.62346%0.458SS*.  trans-50.6105.6162.3-87.867.8000103.4K110 P114K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 3.13Å; L112-P114 WeakPolarHBondContact O-CA 3.47Å; L112-P114 WeakPolarHBondContact O-CD 3.08Å
113Q49.5Very low73.2Confident153 Ų15394.5 Ų94.572%0.71546%0.457SS*.  trans-46.8109.7170.8-87-84.67.200104R111 K115R111-Q113 PolarHBondContact O-N 3.34Å; Q113-K115 PolarHBondContact O-N 2.95Å
114P47.5Very low73.2Confident95 Ų9593 Ų9362%0.61745%0.447SS*.  trans-81.660.2-157.729.5-34.2000108.7L112 M116 V117L112-P114 WeakPolarHBondContact O-CA 3.47Å; L112-P114 WeakPolarHBondContact O-CD 3.08Å; P114-M116 PolarHBondContact O-N 2.85Å; P114-V117 WeakPolarHBondContact O-CB 3.14Å; P114-V117 VanDerWaalsContact O-CG2 3.26Å; P114-V117 WeakPolarHBondContact O-CG2 3.41Å; P114-V117 PolarHBondContact O-N 2.79Å
115K46.4Very low73.3Confident201 Ų20192.3 Ų92.387%0.87444%0.443SS*.THydrogen-bonded Turntrans31.130-154.4-69.9-179.3179.2172.30115.7Q113 V117Q113-K115 PolarHBondContact O-N 2.95Å; K115-V117 HydrophobicContact CB-CG2 4.05Å; K115-V117 PolarHBondContact O-N 3.21Å; K115-V117 VanDerWaalsContact O-N 3.17Å
116M49.6Very low73.4Confident130 Ų13088 Ų8864%0.6443%0.426SS*.THydrogen-bonded Turntrans33.850.1-159.4-155.2-176.780.800112.3P114 T118P114-M116 PolarHBondContact O-N 2.85Å; M116-T118 HydrophobicContact CE-CG2 4.42Å; M116-T118 PolarHBondContact O-N 2.96Å
117V56.9Low73.5Confident62 Ų6286 Ų8638%0.37642%0.421SS..  trans-63.488.7174.8163.70000106.9P114 K115 K119 K195P114-V117 WeakPolarHBondContact O-CB 3.14Å; P114-V117 VanDerWaalsContact O-CG2 3.26Å; P114-V117 WeakPolarHBondContact O-CG2 3.41Å; P114-V117 PolarHBondContact O-N 2.79Å; K115-V117 HydrophobicContact CB-CG2 4.05Å; K115-V117 PolarHBondContact O-N 3.21Å; K115-V117 VanDerWaalsContact O-N 3.17Å; V117-K119 PolarHBondContact O-N 3.12Å; V117-K195 HydrophobicContact CG1-CD 3.64Å; V117-K195 VanDerWaalsContact CG1-NZ 3.29Å
118T64.7Low73.8Confident42 Ų4285.5 Ų85.526%0.25842%0.417SS..  trans-54.3107.6169.348.80000107.1M116 T120M116-T118 HydrophobicContact CE-CG2 4.42Å; M116-T118 PolarHBondContact O-N 2.96Å; T118-T120 WeakPolarHBondContact O-CB 3.4Å; T118-T120 VanDerWaalsContact O-CG2 3.24Å; T118-T120 WeakPolarHBondContact O-CG2 3.24Å; T118-T120 PolarHBondContact O-N 3.1Å
119K73.5Confident74.3Confident150 Ų15077.9 Ų77.965%0.65239%0.387SS*.  trans-54.4115.3174.8-72.3-161.8137.8-73.70108V117 E172V117-K119 PolarHBondContact O-N 3.12Å; K119-E172 VanDerWaalsContact CA-OE1 3.27Å; K119-E172 WeakPolarHBondContact CA-OE1 3.2Å; K119-E172 VanDerWaalsContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CG-OE1 3.27Å; K119-E172 IonicContact NZ-OE1 2.8Å; K119-E172 PolarHBondContact NZ-OE1 3.3Å; K119-E172 IonicContact NZ-OE2 2.61Å; K119-E172 PolarHBondContact NZ-OE2 3.41Å
120T85.5Confident75.1Confident28 Ų2878.1 Ų78.117%0.17239%0.394CS..  trans-149.4132.1-167.4-175.50000110.1T118 K122 V175 K195T118-T120 WeakPolarHBondContact O-CB 3.4Å; T118-T120 VanDerWaalsContact O-CG2 3.24Å; T118-T120 WeakPolarHBondContact O-CG2 3.24Å; T118-T120 PolarHBondContact O-N 3.1Å; T120-K122 WeakPolarHBondContact CG2-O 3.46Å; T120-K122 PolarHBondContact O-N 2.75Å; T120-K122 PolarHBondContact OG1-N 3.33Å; T120-K122 VanDerWaalsContact OG1-N 3.12Å; T120-V175 HydrophobicContact CG2-CG1 4.42Å; T120-V175 WeakPolarHBondContact O-CG2 3.26Å; T120-K195 HydrophobicContact CG2-CB 3.96Å; T120-K195 HydrophobicContact CG2-CD 4.34Å; T120-K195 HydrophobicContact CG2-CG 4.42Å
121K91.4Very high76.3Confident84 Ų8476.7 Ų76.737%0.36540%0.398SS..SBendtrans-69.7-11.1168.3-77.1-170.5177.7-147.90112.9T168 F169 D170 V175K121-T168 HydrophobicContact CB-CG2 3.9Å; K121-T168 CarbonylContact O-C 3.58Å; K121-T168 WeakPolarHBondContact O-CA 3.31Å; K121-F169 VanDerWaalsContact CB-O 3.28Å; K121-F169 WeakPolarHBondContact CB-O 3.19Å; K121-F169 WeakPolarHBondContact CD-O 3.4Å; K121-F169 WeakPolarHBondContact CG-O 3.4Å; K121-F169 PolarHBondContact O-N 3.44Å; K121-D170 WeakPolarHBondContact CD-O 3.12Å; K121-D170 WeakPolarHBondContact CE-O 2.99Å; K121-D170 PolarHBondContact NZ-O 3.15Å; K121-D170 IonicContact NZ-OD1 3.57Å; K121-D170 PolarHBondContact NZ-OD1 2.85Å; K121-V175 WeakPolarHBondContact O-CG2 3.49Å
122K92.8Very high77.9Confident58 Ų5866.2 Ų66.225%0.25236%0.359SS..EExtended strand (participates in β ladder)trans-110.2127.5-169-151.4177.7-162.291.90113T120 D149 F166 V167 T168 A196T120-K122 WeakPolarHBondContact CG2-O 3.46Å; T120-K122 PolarHBondContact O-N 2.75Å; T120-K122 PolarHBondContact OG1-N 3.33Å; T120-K122 VanDerWaalsContact OG1-N 3.12Å; K122-D149 IonicContact NZ-OD2 2.78Å; K122-D149 PolarHBondContact NZ-OD2 2.61Å; K122-F166 HydrophobicContact CD-CB 4.23Å; K122-F166 HydrophobicContact CG-CB 4.26Å; K122-V167 CarbonylContact C-O 3.5Å; K122-V167 VanDerWaalsContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CG-O 3.44Å; K122-T168 HydrophobicContact CB-CG2 4.33Å; K122-T168 HydrophobicContact CG-CG2 4.39Å; K122-T168 PolarHBondContact NZ-OG1 3.01Å; K122-A196 HydrophobicContact CB-CB 4Å; K122-A196 HydrophobicContact CG-CB 4.21Å; K122-A196 WeakPolarHBondContact O-CB 3.16Å; K122-A196 PolarHBondContact O-N 3.22Å
123I93.8Very high79.6Confident0 Ų063.3 Ų63.30%035%0.346CS..EExtended strand (participates in β ladder)trans-96.5147.9166.750.6168.5000111.6V125 F141 F166 V167 F169 V175 V178 V179 K194I123-V125 HydrophobicContact CD1-CG2 3.69Å; I123-V125 HydrophobicContact CG1-CG2 4.04Å; I123-F141 HydrophobicContact CD1-CD1 4Å; I123-F141 HydrophobicContact CD1-CE1 3.83Å; I123-F141 HydrophobicContact CD1-CG 4.49Å; I123-F141 HydrophobicContact CD1-CZ 4.18Å; I123-F166 WeakPolarHBondContact O-CA 3.41Å; I123-F166 WeakPolarHBondContact O-CB 3.46Å; I123-V167 HydrophobicContact CD1-CB 3.98Å; I123-V167 HydrophobicContact CD1-CG2 4.47Å; I123-V167 HydrophobicContact CG1-CB 3.77Å; I123-V167 WeakPolarHBondContact CG1-O 3.19Å; I123-V167 PolarHBondContact N-O 3.36Å; I123-V167 PolarHBondContact O-N 2.74Å; I123-V167 VanDerWaalsContact O-N 3.1Å; I123-F169 HydrophobicContact CD1-CE2 3.64Å; I123-F169 HydrophobicContact CD1-CZ 4.19Å; I123-F169 HydrophobicContact CG1-CE2 3.92Å; I123-V175 HydrophobicContact CG2-CB 4.31Å; I123-V175 HydrophobicContact CG2-CG1 3.7Å; I123-V175 HydrophobicContact CG2-CG2 4.22Å; I123-V178 HydrophobicContact CD1-CG1 3.84Å; I123-V179 HydrophobicContact CG2-CG2 3.95Å; I123-K194 CarbonylContact C-O 3.46Å; I123-K194 WeakPolarHBondContact CA-O 3.19Å
124F93.5Very high81.7Confident45 Ų4558.6 Ų58.620%0.19733%0.325CS..EExtended strand (participates in β ladder)trans-90132.6158.7168.7-88.6000108.1F164 F166 C193 K194 A196F124-F164 HydrophobicContact CD2-CD2 4.2Å; F124-F164 HydrophobicContact CE2-CB 3.89Å; F124-F164 AromaticContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CD2 3.48Å; F124-F164 VanDerWaalsContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CE2 4.15Å; F124-F164 AromaticContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CZ-CB 3.88Å; F124-F164 HydrophobicContact CZ-CD2 4.29Å; F124-F164 HydrophobicContact CZ-CG 4.19Å; F124-F166 HydrophobicContact CB-CD1 4.15Å; F124-F166 HydrophobicContact CB-CE1 4.05Å; F124-F166 HydrophobicContact CD2-CD1 4.42Å; F124-F166 AromaticContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CZ 4.06Å; F124-F166 HydrophobicContact CG-CE1 4.45Å; F124-C193 WeakPolarHBondContact O-CA 3.11Å; F124-K194 HydrophobicContact CD1-CB 4.38Å; F124-K194 PolarHBondContact N-O 3.07Å; F124-K194 PolarHBondContact O-N 3.35Å; F124-A196 HydrophobicContact CB-CB 4.46Å
125V94.2Very high83.8Confident0 Ų059 Ų590%032%0.322CS..EExtended strand (participates in β ladder)trans-119.2108.7-178.2-177.20000107.9I123 L128 F141 F164 G165 V167 V191I123-V125 HydrophobicContact CD1-CG2 3.69Å; I123-V125 HydrophobicContact CG1-CG2 4.04Å; V125-L128 HydrophobicContact CG1-CD1 4.32Å; V125-L128 HydrophobicContact CG1-CD2 3.75Å; V125-L128 HydrophobicContact CG1-CG 4.15Å; V125-F141 HydrophobicContact CG1-CE2 3.85Å; V125-F141 HydrophobicContact CG1-CZ 3.96Å; V125-F141 HydrophobicContact CG2-CE2 3.82Å; V125-F141 HydrophobicContact CG2-CZ 3.88Å; V125-F164 CarbonylContact O-C 3.58Å; V125-F164 WeakPolarHBondContact O-CA 3.28Å; V125-F164 VanDerWaalsContact O-CB 3.31Å; V125-F164 WeakPolarHBondContact O-CB 3.27Å; V125-G165 PolarHBondContact N-O 3.28Å; V125-G165 PolarHBondContact O-N 2.8Å; V125-V167 HydrophobicContact CG2-CG2 4.13Å; V125-V191 HydrophobicContact CG1-CG1 3.36Å
126G93.6Very high86Confident9 Ų951.6 Ų51.69%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-116.5147.2-173.600000113.5V191 E192G126-V191 CarbonylContact O-C 3.57Å; G126-V191 WeakPolarHBondContact O-CA 3.42Å; G126-V191 VanDerWaalsContact O-CG1 3.31Å; G126-V191 WeakPolarHBondContact O-CG1 3.14Å; G126-E192 PolarHBondContact N-O 3.43Å; G126-E192 PolarHBondContact O-N 2.93Å
127G92.9Very high88.1Confident34 Ų3445.4 Ų45.435%0.35126%0.262SS..SBendtrans93.410.4176.700000114.9G163 K189G127-G163 PolarHBondContact N-O 2.99Å; G127-K189 VanDerWaalsContact O-CD 3.25Å; G127-K189 WeakPolarHBondContact O-CD 3.42Å; G127-K189 WeakPolarHBondContact O-CE 3.4Å; G127-K189 PolarHBondContact O-NZ 3Å
128L93.2Very high89.8Confident2 Ų246.7 Ų46.71%0.0126%0.262CS..  trans-51.3151.5178.8-61.5166000112.9V125 T132 M137 L152 H161 G163 I186 K189 V191V125-L128 HydrophobicContact CG1-CD1 4.32Å; V125-L128 HydrophobicContact CG1-CD2 3.75Å; V125-L128 HydrophobicContact CG1-CG 4.15Å; L128-T132 HydrophobicContact CD2-CG2 4.11Å; L128-M137 HydrophobicContact CD1-CE 3.37Å; L128-M137 HydrophobicContact CD2-CE 4.2Å; L128-M137 HydrophobicContact CG-CE 4.44Å; L128-L152 HydrophobicContact CD1-CD1 3.46Å; L128-L152 VanDerWaalsContact CD1-CD1 3.46Å; L128-H161 WeakPolarHBondContact CB-CE1 3.47Å; L128-H161 PolarHBondContact O-CE1 2.99Å; L128-H161 VanDerWaalsContact O-CE1 3.29Å; L128-G163 PolarHBondContact N-O 2.9Å; L128-I186 HydrophobicContact CD2-CD1 4.34Å; L128-K189 PolarHBondContact O-NZ 2.86Å; L128-V191 HydrophobicContact CD2-CG1 3.93Å; L128-V191 HydrophobicContact CD2-CG2 4.04Å; L128-V191 HydrophobicContact CG-CG1 4.46Å
129S92.4Very high91.2Very high27 Ų2749.1 Ų49.119%0.18928%0.281CS..  trans-75.4150.3177.8-167.30000111S131 T132 H161S129-S131 PolarHBondContact O-N 3.21Å; S129-T132 WeakPolarHBondContact CB-OG1 3.46Å; S129-T132 PolarHBondContact N-OG1 2.79Å; S129-T132 WeakPolarHBondContact O-CB 3.28Å; S129-T132 PolarHBondContact O-N 3.31Å; S129-T132 PolarHBondContact O-OG1 2.91Å; S129-H161 PolarHBondContact O-CE1 2.77Å; S129-H161 PolarHBondContact O-NE2 3Å
130A89.4Confident92.1Very high69 Ų6944.3 Ų44.357%0.5726%0.259SS*.THydrogen-bonded Turntrans-63.1-12.8-177.500000113.9H161A130-H161 WeakPolarHBondContact CA-NE2 3.35Å; A130-H161 PolarHBondContact O-NE2 3.34Å
131S89.2Confident92.5Very high81 Ų8143 Ų4357%0.56625%0.251SS*.THydrogen-bonded Turntrans-97.2-917352.30000114.7S129 T133 H161S129-S131 PolarHBondContact O-N 3.21Å; S131-T133 PolarHBondContact O-N 2.63Å; S131-H161 PolarHBondContact N-NE2 3.09Å
132T90.2Very high92.6Very high2 Ų242.4 Ų42.41%0.01226%0.257CS..  trans-69.5123.4-173.4-55.60000112.1L128 S129 D136 L152 H161 I186 N187L128-T132 HydrophobicContact CD2-CG2 4.11Å; S129-T132 WeakPolarHBondContact CB-OG1 3.46Å; S129-T132 PolarHBondContact N-OG1 2.79Å; S129-T132 WeakPolarHBondContact O-CB 3.28Å; S129-T132 PolarHBondContact O-N 3.31Å; S129-T132 PolarHBondContact O-OG1 2.91Å; T132-D136 WeakPolarHBondContact CA-OD2 3.38Å; T132-D136 HydrophobicContact CG2-CB 3.96Å; T132-L152 WeakPolarHBondContact O-CD2 3.48Å; T132-H161 PolarHBondContact N-NE2 2.9Å; T132-H161 PolarHBondContact O-NE2 3.16Å; T132-I186 HydrophobicContact CG2-CG2 3.98Å; T132-N187 WeakPolarHBondContact CA-ND2 3.39Å; T132-N187 PolarHBondContact OG1-ND2 3.17Å
133T92.1Very high92.6Very high57 Ų5745.5 Ų45.535%0.3527%0.273SS..  trans-86.1172.617875.50000111.9S131 D135 D136 M137S131-T133 PolarHBondContact O-N 2.63Å; T133-D135 VanDerWaalsContact C-N 3.28Å; T133-D135 PolarHBondContact OG1-N 2.86Å; T133-D136 PolarHBondContact N-OD2 2.84Å; T133-D136 PolarHBondContact OG1-N 3.31Å; T133-D136 PolarHBondContact OG1-OD1 2.78Å; T133-D136 PolarHBondContact OG1-OD2 3.06Å; T133-M137 PolarHBondContact O-N 2.91Å
134L92Very high92.5Very high55 Ų5548.2 Ų48.229%0.28828%0.284SS..Hα-helixtrans-69.1-29.7170.6178.6151.1000111.5M137 K138 S150L134-M137 WeakPolarHBondContact O-CB 3.45Å; L134-M137 PolarHBondContact O-N 3.05Å; L134-K138 HydrophobicContact CD2-CD 3.9Å; L134-K138 HydrophobicContact CD2-CG 4.34Å; L134-K138 PolarHBondContact O-N 2.97Å; L134-S150 WeakPolarHBondContact CD1-O 3.33Å
135D93.4Very high92.4Very high102 Ų10247 Ų4755%0.54529%0.285SS..Hα-helixtrans-80-34-178-56.5-72.4000112.1T133 M137 K138 S139T133-D135 VanDerWaalsContact C-N 3.28Å; T133-D135 PolarHBondContact OG1-N 2.86Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 2.73Å; D135-K138 PolarHBondContact O-N 3.41Å; D135-S139 VanDerWaalsContact O-CB 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.84Å
136D92.6Very high92.4Very high47 Ų4750.7 Ų50.725%0.25131%0.311SS..Hα-helixtrans-58.1-45168.4-51.5-16.5000110.3T132 T133 S139 Y140 I186 N187T132-D136 WeakPolarHBondContact CA-OD2 3.38Å; T132-D136 HydrophobicContact CG2-CB 3.96Å; T133-D136 PolarHBondContact N-OD2 2.84Å; T133-D136 PolarHBondContact OG1-N 3.31Å; T133-D136 PolarHBondContact OG1-OD1 2.78Å; T133-D136 PolarHBondContact OG1-OD2 3.06Å; D136-S139 PolarHBondContact O-N 2.67Å; D136-Y140 WeakPolarHBondContact O-CB 3.27Å; D136-Y140 PolarHBondContact O-N 3.27Å; D136-I186 HydrophobicContact CB-CG2 4.48Å; D136-N187 PolarHBondContact OD2-ND2 2.86Å
137M91.9Very high92.5Very high0 Ų052.4 Ų52.40%032%0.317CS..Hα-helixtrans-62.8-47.1177.3178.7-174.8-65.100111.1L128 T133 L134 D135 F141 L152 V167L128-M137 HydrophobicContact CD1-CE 3.37Å; L128-M137 HydrophobicContact CD2-CE 4.2Å; L128-M137 HydrophobicContact CG-CE 4.44Å; T133-M137 PolarHBondContact O-N 2.91Å; L134-M137 WeakPolarHBondContact O-CB 3.45Å; L134-M137 PolarHBondContact O-N 3.05Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 2.73Å; M137-F141 HydrophobicContact CG-CD2 3.73Å; M137-F141 HydrophobicContact CG-CE2 4.01Å; M137-F141 WeakPolarHBondContact O-CB 3.39Å; M137-F141 VanDerWaalsContact O-CD2 3.24Å; M137-F141 WeakPolarHBondContact O-CD2 3.12Å; M137-F141 PolarHBondContact O-N 3.16Å; M137-L152 HydrophobicContact CE-CD1 3.73Å; M137-V167 HydrophobicContact CG-CG2 3.66Å; M137-V167 HydrophobicContact SD-CG2 3.51Å; M137-V167 VanDerWaalsContact SD-CG2 3.51Å
138K93.5Very high92.5Very high89 Ų8956.9 Ų56.939%0.38733%0.329SS..Hα-helixtrans-59.6-49.5175.1-79.4-179.4176171.70112L134 D135 Y140 F141 S142 I147 S150L134-K138 HydrophobicContact CD2-CD 3.9Å; L134-K138 HydrophobicContact CD2-CG 4.34Å; L134-K138 PolarHBondContact O-N 2.97Å; D135-K138 PolarHBondContact O-N 3.41Å; K138-Y140 PolarHBondContact O-N 3.32Å; K138-F141 PolarHBondContact O-N 3.44Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.12Å; K138-I147 HydrophobicContact CB-CD1 4.39Å; K138-I147 HydrophobicContact CG-CD1 4.43Å; K138-I147 WeakPolarHBondContact O-CD1 3.31Å; K138-S150 WeakPolarHBondContact CE-OG 3.3Å; K138-S150 WeakPolarHBondContact CG-OG 3.49Å
139S93.6Very high92.5Very high93 Ų9359.5 Ų59.565%0.6534%0.343SS*.Hα-helixtrans-57.2-48.8-178.3-171.80000111D135 D136D135-S139 VanDerWaalsContact O-CB 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.84Å; D136-S139 PolarHBondContact O-N 2.67Å
140Y93.5Very high92.6Very high49 Ų4958.7 Ų58.719%0.19234%0.338CS..Hα-helixtrans-65.5-49177.9-176.7-94.3000112.9D136 K138 S142 Q143 F144 H184 E185 I186D136-Y140 WeakPolarHBondContact O-CB 3.27Å; D136-Y140 PolarHBondContact O-N 3.27Å; K138-Y140 PolarHBondContact O-N 3.32Å; Y140-S142 PolarHBondContact O-N 2.65Å; Y140-Q143 WeakPolarHBondContact O-CG 3.39Å; Y140-Q143 PolarHBondContact O-N 2.73Å; Y140-Q143 PolarHBondContact O-NE2 2.68Å; Y140-F144 HydrophobicContact CD1-CE2 4.22Å; Y140-F144 AromaticContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CZ 4.2Å; Y140-H184 HydrophobicContact CE1-CB 3.67Å; Y140-H184 AromaticContact CE1-CG 3.8Å; Y140-H184 AromaticContact CE1-ND1 3.42Å; Y140-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y140-H184 AromaticContact CZ-ND1 3.62Å; Y140-H184 WeakPolarHBondContact OH-CB 3.38Å; Y140-H184 PolarHBondContact OH-ND1 2.44Å; Y140-E185 VanDerWaalsContact CE2-O 3.31Å; Y140-E185 WeakPolarHBondContact CE2-O 3.47Å; Y140-I186 HydrophobicContact CD1-CD1 3.6Å; Y140-I186 HydrophobicContact CD1-CG1 3.82Å; Y140-I186 HydrophobicContact CD2-CG1 4.12Å; Y140-I186 HydrophobicContact CE1-CD1 4.15Å; Y140-I186 HydrophobicContact CE1-CG1 4.15Å; Y140-I186 HydrophobicContact CE2-CG1 4.43Å; Y140-I186 HydrophobicContact CG-CD1 3.93Å; Y140-I186 HydrophobicContact CG-CG1 3.82Å
141F93.7Very high92.7Very high0 Ų059.4 Ų59.40%033%0.33CS..Hα-helixtrans-74.9-24.3-175.7-75-66.3000113.6I123 V125 M137 K138 Q143 F144 I147 V167 F169 V178 I186 C193I123-F141 HydrophobicContact CD1-CD1 4Å; I123-F141 HydrophobicContact CD1-CE1 3.83Å; I123-F141 HydrophobicContact CD1-CG 4.49Å; I123-F141 HydrophobicContact CD1-CZ 4.18Å; V125-F141 HydrophobicContact CG1-CE2 3.85Å; V125-F141 HydrophobicContact CG1-CZ 3.96Å; V125-F141 HydrophobicContact CG2-CE2 3.82Å; V125-F141 HydrophobicContact CG2-CZ 3.88Å; M137-F141 HydrophobicContact CG-CD2 3.73Å; M137-F141 HydrophobicContact CG-CE2 4.01Å; M137-F141 WeakPolarHBondContact O-CB 3.39Å; M137-F141 VanDerWaalsContact O-CD2 3.24Å; M137-F141 WeakPolarHBondContact O-CD2 3.12Å; M137-F141 PolarHBondContact O-N 3.16Å; K138-F141 PolarHBondContact O-N 3.44Å; F141-Q143 PolarHBondContact O-N 3.43Å; F141-Q143 VanDerWaalsContact O-N 3.11Å; F141-F144 HydrophobicContact CD1-CD2 4.05Å; F141-F144 HydrophobicContact CD1-CE2 4.14Å; F141-F144 PolarHBondContact O-N 2.66Å; F141-I147 HydrophobicContact CB-CD1 3.81Å; F141-V167 HydrophobicContact CB-CG1 4.34Å; F141-V167 HydrophobicContact CD2-CG2 3.81Å; F141-V167 HydrophobicContact CE2-CG2 4.34Å; F141-V167 HydrophobicContact CG-CG2 4.34Å; F141-F169 HydrophobicContact CB-CE1 4.11Å; F141-F169 HydrophobicContact CB-CZ 3.88Å; F141-F169 HydrophobicContact CD1-CZ 4.01Å; F141-F169 HydrophobicContact CG-CZ 4.24Å; F141-F169 WeakPolarHBondContact O-CE1 3.5Å; F141-V178 HydrophobicContact CD1-CG1 4.2Å; F141-V178 HydrophobicContact CE1-CG1 3.78Å; F141-I186 HydrophobicContact CE2-CD1 3.81Å; F141-I186 HydrophobicContact CZ-CD1 4.09Å; F141-C193 VanDerWaalsContact CZ-SG 3.56Å
142S93.1Very high92.8Very high71 Ų7156.1 Ų56.150%0.49731%0.306SS..THydrogen-bonded Turntrans-63.9-15.5177.5-171.10000113.6K138 Y140 F144K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.12Å; Y140-S142 PolarHBondContact O-N 2.65Å; S142-F144 VanDerWaalsContact C-N 3.28Å; S142-F144 PolarHBondContact O-N 2.88Å
143Q92.8Very high92.9Very high124 Ų12458.2 Ų58.258%0.57932%0.317SS*.THydrogen-bonded Turntrans-72-20.4173.983.8-161.3-12.200113.2Y140 F141Y140-Q143 WeakPolarHBondContact O-CG 3.39Å; Y140-Q143 PolarHBondContact O-N 2.73Å; Y140-Q143 PolarHBondContact O-NE2 2.68Å; F141-Q143 PolarHBondContact O-N 3.43Å; F141-Q143 VanDerWaalsContact O-N 3.11Å
144F91.7Very high92.9Very high56 Ų5660.9 Ų60.925%0.24632%0.323CS..THydrogen-bonded Turntrans-92.8-24.9178-56.6-80.5000112.7Y140 F141 S142 V174 V178 I181 H184Y140-F144 HydrophobicContact CD1-CE2 4.22Å; Y140-F144 AromaticContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CZ 4.2Å; F141-F144 HydrophobicContact CD1-CD2 4.05Å; F141-F144 HydrophobicContact CD1-CE2 4.14Å; F141-F144 PolarHBondContact O-N 2.66Å; S142-F144 VanDerWaalsContact C-N 3.28Å; S142-F144 PolarHBondContact O-N 2.88Å; F144-V174 HydrophobicContact CB-CG1 3.71Å; F144-V174 WeakPolarHBondContact O-CG1 3.48Å; F144-V178 HydrophobicContact CB-CG2 3.77Å; F144-V178 HydrophobicContact CD1-CG2 3.93Å; F144-V178 HydrophobicContact CD2-CG2 3.77Å; F144-V178 HydrophobicContact CE1-CG2 4.45Å; F144-V178 HydrophobicContact CE2-CG2 4.31Å; F144-V178 HydrophobicContact CG-CG2 3.56Å; F144-I181 HydrophobicContact CE1-CD1 3.65Å; F144-I181 HydrophobicContact CZ-CD1 4.15Å; F144-H184 AromaticContact CZ-CE1 3.8Å; F144-H184 AromaticContact CZ-ND1 3.81Å
145G91.7Very high92.8Very high21 Ų2160.6 Ų60.622%0.21632%0.322CS..SBendtrans163.6173.4176.900000113.6I147G145-I147 PolarHBondContact O-N 2.69Å
146S94.3Very high92.6Very high77 Ų7765.4 Ų65.454%0.53834%0.338SS..  trans-58.8128.2-178.3-50.70000112.8F169 D170S146-F169 CarbonylContact O-C 3.57Å; S146-F169 VanDerWaalsContact O-CA 3.3Å; S146-F169 WeakPolarHBondContact O-CA 3.43Å; S146-D170 PolarHBondContact O-N 3.49Å
147I94.5Very high92.5Very high44 Ų4468 Ų6823%0.22636%0.36CS..EExtended strand (participates in β ladder)trans-93.9126.8176.3-62.7172.9000109.7K138 F141 G145 D149 V167 T168 F169K138-I147 HydrophobicContact CB-CD1 4.39Å; K138-I147 HydrophobicContact CG-CD1 4.43Å; K138-I147 WeakPolarHBondContact O-CD1 3.31Å; F141-I147 HydrophobicContact CB-CD1 3.81Å; G145-I147 PolarHBondContact O-N 2.69Å; I147-D149 WeakPolarHBondContact CG2-O 3.14Å; I147-V167 HydrophobicContact CB-CG1 4.46Å; I147-V167 HydrophobicContact CD1-CG1 3.98Å; I147-V167 HydrophobicContact CG1-CG1 3.88Å; I147-V167 HydrophobicContact CG2-CG1 3.85Å; I147-T168 CarbonylContact C-O 3.44Å; I147-T168 WeakPolarHBondContact CA-O 3.39Å; I147-F169 HydrophobicContact CG1-CD1 4.1Å; I147-F169 HydrophobicContact CG1-CE1 4.01Å
148E94.2Very high92.4Very high128 Ų12872.2 Ų72.260%0.59839%0.386SS*.EExtended strand (participates in β ladder)trans-85.1-44.5173.4-177.9-175.817600111.6T168E148-T168 HydrophobicContact CB-CG2 4.43Å; E148-T168 PolarHBondContact N-O 3.36Å
149D93.3Very high92.1Very high57 Ų5774.1 Ų74.131%0.30540%0.401SS..EExtended strand (participates in β ladder)trans-149.9148-17916154.8000110.4K122 I147 V167 T168K122-D149 IonicContact NZ-OD2 2.78Å; K122-D149 PolarHBondContact NZ-OD2 2.61Å; I147-D149 WeakPolarHBondContact CG2-O 3.14Å; D149-V167 CarbonylContact O-C 3.54Å; D149-T168 PolarHBondContact N-O 3.12Å; D149-T168 PolarHBondContact O-N 3.4Å; D149-T168 PolarHBondContact O-OG1 2.86Å; D149-T168 PolarHBondContact OD2-OG1 2.78Å
150S93.2Very high91.8Very high10 Ų1077.7 Ų77.77%0.0740%0.4CS..EExtended strand (participates in β ladder)trans-143.5127.2174.363.90000110.2L134 K138 F166L134-S150 WeakPolarHBondContact CD1-O 3.33Å; K138-S150 WeakPolarHBondContact CE-OG 3.3Å; K138-S150 WeakPolarHBondContact CG-OG 3.49Å; S150-F166 CarbonylContact C-O 3.58Å; S150-F166 WeakPolarHBondContact CA-O 3.11Å
151M91.7Very high91.7Very high85 Ų8576.4 Ų76.442%0.41940%0.395SS..EExtended strand (participates in β ladder)trans-134.7108.5-171.5-173.7176.3-65.300111.4M153 G165 F166M151-M153 HydrophobicContact CG-SD 4.26Å; M151-M153 HydrophobicContact SD-SD 4.21Å; M151-G165 CarbonylContact O-C 3.58Å; M151-G165 WeakPolarHBondContact O-CA 3.4Å; M151-F166 PolarHBondContact N-O 2.74Å; M151-F166 PolarHBondContact O-N 3.42Å
152L92.7Very high91.6Very high12 Ų1283.4 Ų83.46%0.06342%0.422CS..EExtended strand (participates in β ladder)trans-78.9132.9170.5-166.768.5000109.5L128 T132 M137 F154 H161L128-L152 HydrophobicContact CD1-CD1 3.46Å; L128-L152 VanDerWaalsContact CD1-CD1 3.46Å; T132-L152 WeakPolarHBondContact O-CD2 3.48Å; M137-L152 HydrophobicContact CE-CD1 3.73Å; L152-F154 HydrophobicContact CB-CE2 3.98Å; L152-F154 HydrophobicContact CB-CZ 4.37Å; L152-F154 HydrophobicContact CD2-CE1 4.36Å; L152-F154 HydrophobicContact CD2-CE2 4.24Å; L152-F154 HydrophobicContact CD2-CZ 3.78Å; L152-F154 HydrophobicContact CG-CE2 4.28Å; L152-F154 HydrophobicContact CG-CZ 4.3Å; L152-F154 VanDerWaalsContact O-CD2 3.27Å; L152-F154 WeakPolarHBondContact O-CD2 2.9Å; L152-F154 WeakPolarHBondContact O-CE2 3.41Å; L152-H161 HydrophobicContact CD1-CB 4.3Å; L152-H161 HydrophobicContact CD2-CB 3.65Å; L152-H161 HydrophobicContact CG-CB 3.72Å
153M91.6Very high91.5Very high46 Ų4681 Ų8123%0.22741%0.408CS..EExtended strand (participates in β ladder)trans-94.7115.4-173.2-69.6-62.7-51.800111.6M151 H161 R162 F164 F166M151-M153 HydrophobicContact CG-SD 4.26Å; M151-M153 HydrophobicContact SD-SD 4.21Å; M153-H161 WeakPolarHBondContact O-CA 3.28Å; M153-R162 WeakPolarHBondContact O-CB 3.42Å; M153-R162 WeakPolarHBondContact O-CG 3.39Å; M153-R162 PolarHBondContact O-N 3.16Å; M153-F164 HydrophobicContact CB-CD2 4Å; M153-F164 HydrophobicContact CB-CE2 3.72Å; M153-F164 HydrophobicContact CB-CZ 4Å; M153-F164 WeakPolarHBondContact CB-O 3.41Å; M153-F164 HydrophobicContact CG-CD2 3.9Å; M153-F164 HydrophobicContact CG-CE2 3.56Å; M153-F164 HydrophobicContact CG-CZ 4.26Å; M153-F164 PolarHBondContact N-O 2.74Å; M153-F166 HydrophobicContact CG-CD2 4.11Å; M153-F166 HydrophobicContact CG-CE2 3.93Å; M153-F166 HydrophobicContact SD-CD2 4.37Å; M153-F166 HydrophobicContact SD-CE2 4.2Å
154F91.3Very high91.5Very high112 Ų11277 Ų7749%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-93.4150.1-178.6-64.8-92.7000113.9L152 N159 H161L152-F154 HydrophobicContact CB-CE2 3.98Å; L152-F154 HydrophobicContact CB-CZ 4.37Å; L152-F154 HydrophobicContact CD2-CE1 4.36Å; L152-F154 HydrophobicContact CD2-CE2 4.24Å; L152-F154 HydrophobicContact CD2-CZ 3.78Å; L152-F154 HydrophobicContact CG-CE2 4.28Å; L152-F154 HydrophobicContact CG-CZ 4.3Å; L152-F154 VanDerWaalsContact O-CD2 3.27Å; L152-F154 WeakPolarHBondContact O-CD2 2.9Å; L152-F154 WeakPolarHBondContact O-CE2 3.41Å; F154-N159 WeakPolarHBondContact CD1-O 3.3Å; F154-H161 HydrophobicContact CD1-CB 3.91Å; F154-H161 HydrophobicContact CE1-CB 3.9Å; F154-H161 HydrophobicContact CG-CB 4.47Å; F154-H161 HydrophobicContact CZ-CB 4.44Å
155D90.3Very high91.7Very high50 Ų5074.3 Ų74.327%0.26738%0.377SS..  trans-81.9133.3161.9167.141.9000109.7S157 T158 N159 R160 R162D155-S157 VanDerWaalsContact C-N 3.3Å; D155-S157 PolarHBondContact O-N 2.9Å; D155-S157 PolarHBondContact OD1-N 3.26Å; D155-S157 VanDerWaalsContact OD1-N 3.12Å; D155-S157 PolarHBondContact OD1-OG 2.66Å; D155-S157 PolarHBondContact OD2-N 2.61Å; D155-S157 PolarHBondContact OD2-OG 2.81Å; D155-T158 WeakPolarHBondContact OD2-CB 3.47Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.37Å; D155-T158 PolarHBondContact OD2-N 3.1Å; D155-T158 PolarHBondContact OD2-OG1 2.8Å; D155-N159 VanDerWaalsContact O-CA 3.3Å; D155-N159 WeakPolarHBondContact O-CA 3.36Å; D155-N159 PolarHBondContact O-N 3.04Å; D155-N159 VanDerWaalsContact O-N 3.09Å; D155-R160 PolarHBondContact N-O 2.89Å; D155-R162 HydrophobicContact CB-CG 4.11Å
156K89.9Confident91.8Very high202 Ų20274.3 Ų74.388%0.87837%0.371SS*.THydrogen-bonded Turntrans-73.4-19.2-178.7-65-172.5175.6-1710113.5
157S89Confident91.8Very high101 Ų10170.6 Ų70.671%0.70635%0.345SS*.THydrogen-bonded Turntrans-89.9-40.9-176.7770000113.2D155D155-S157 VanDerWaalsContact C-N 3.3Å; D155-S157 PolarHBondContact O-N 2.9Å; D155-S157 PolarHBondContact OD1-N 3.26Å; D155-S157 VanDerWaalsContact OD1-N 3.12Å; D155-S157 PolarHBondContact OD1-OG 2.66Å; D155-S157 PolarHBondContact OD2-N 2.61Å; D155-S157 PolarHBondContact OD2-OG 2.81Å
158T89.9Confident91.8Very high90 Ų9069.1 Ų69.155%0.55234%0.338SS*.THydrogen-bonded Turntrans-102.4-10.7-177.158.50000114.1D155 R160D155-T158 WeakPolarHBondContact OD2-CB 3.47Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.37Å; D155-T158 PolarHBondContact OD2-N 3.1Å; D155-T158 PolarHBondContact OD2-OG1 2.8Å; T158-R160 PolarHBondContact O-N 2.87Å; T158-R160 PolarHBondContact OG1-N 2.9Å
159N87.2Confident91.8Very high129 Ų12963 Ų6369%0.6931%0.31SS*.  trans53.312.2-166.4-68.6-51000114.7F154 D155F154-N159 WeakPolarHBondContact CD1-O 3.3Å; D155-N159 VanDerWaalsContact O-CA 3.3Å; D155-N159 WeakPolarHBondContact O-CA 3.36Å; D155-N159 PolarHBondContact O-N 3.04Å; D155-N159 VanDerWaalsContact O-N 3.09Å
160R88.2Confident91.9Very high168 Ų16864.2 Ų64.263%0.63432%0.316SS*.  trans-81.9145171.7-169.7174.5-70-173.4-1.8109.2D155 T158D155-R160 PolarHBondContact N-O 2.89Å; T158-R160 PolarHBondContact O-N 2.87Å; T158-R160 PolarHBondContact OG1-N 2.9Å
161H91.4Very high91.8Very high21 Ų2167.8 Ų67.810%0.09733%0.334CS..EExtended strand (participates in β ladder)trans-71.4149.1171.977.887000111.6L128 S129 A130 S131 T132 L152 M153 F154 G163L128-H161 WeakPolarHBondContact CB-CE1 3.47Å; L128-H161 PolarHBondContact O-CE1 2.99Å; L128-H161 VanDerWaalsContact O-CE1 3.29Å; S129-H161 PolarHBondContact O-CE1 2.77Å; S129-H161 PolarHBondContact O-NE2 3Å; A130-H161 WeakPolarHBondContact CA-NE2 3.35Å; A130-H161 PolarHBondContact O-NE2 3.34Å; S131-H161 PolarHBondContact N-NE2 3.09Å; T132-H161 PolarHBondContact N-NE2 2.9Å; T132-H161 PolarHBondContact O-NE2 3.16Å; L152-H161 HydrophobicContact CD1-CB 4.3Å; L152-H161 HydrophobicContact CD2-CB 3.65Å; L152-H161 HydrophobicContact CG-CB 3.72Å; M153-H161 WeakPolarHBondContact O-CA 3.28Å; F154-H161 HydrophobicContact CD1-CB 3.91Å; F154-H161 HydrophobicContact CE1-CB 3.9Å; F154-H161 HydrophobicContact CG-CB 4.47Å; F154-H161 HydrophobicContact CZ-CB 4.44Å; H161-G163 PolarHBondContact ND1-N 2.87Å; H161-G163 VanDerWaalsContact ND1-N 3.16Å; H161-G163 PolarHBondContact O-N 2.79Å; H161-G163 VanDerWaalsContact O-N 3.16Å
162R91Very high91.7Very high148 Ų14865.6 Ų65.656%0.55832%0.323SS*.EExtended strand (participates in β ladder)trans-82.514.8-169.3-63174.761.9-168-4113.2M153 D155 F164M153-R162 WeakPolarHBondContact O-CB 3.42Å; M153-R162 WeakPolarHBondContact O-CG 3.39Å; M153-R162 PolarHBondContact O-N 3.16Å; D155-R162 HydrophobicContact CB-CG 4.11Å; R162-F164 HydrophobicContact CB-CD1 3.75Å; R162-F164 HydrophobicContact CB-CE1 3.56Å; R162-F164 HydrophobicContact CB-CZ 4.48Å; R162-F164 HydrophobicContact CG-CE1 4.48Å; R162-F164 WeakPolarHBondContact O-CD1 3.37Å; R162-F164 PolarHBondContact O-N 3.39Å
163G91.8Very high91.5Very high20 Ų2069.7 Ų69.721%0.20635%0.345CS..EExtended strand (participates in β ladder)trans71.613-174.200000114.3G127 L128 H161G127-G163 PolarHBondContact N-O 2.99Å; L128-G163 PolarHBondContact N-O 2.9Å; H161-G163 PolarHBondContact ND1-N 2.87Å; H161-G163 VanDerWaalsContact ND1-N 3.16Å; H161-G163 PolarHBondContact O-N 2.79Å; H161-G163 VanDerWaalsContact O-N 3.16Å
164F93.4Very high91.6Very high39 Ų3968.1 Ų68.117%0.17134%0.338CS..EExtended strand (participates in β ladder)trans-146.9161.3175.673.8-90.5000113F124 V125 M153 R162 F166F124-F164 HydrophobicContact CD2-CD2 4.2Å; F124-F164 HydrophobicContact CE2-CB 3.89Å; F124-F164 AromaticContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CD2 3.48Å; F124-F164 VanDerWaalsContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CE2 4.15Å; F124-F164 AromaticContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CZ-CB 3.88Å; F124-F164 HydrophobicContact CZ-CD2 4.29Å; F124-F164 HydrophobicContact CZ-CG 4.19Å; V125-F164 CarbonylContact O-C 3.58Å; V125-F164 WeakPolarHBondContact O-CA 3.28Å; V125-F164 VanDerWaalsContact O-CB 3.31Å; V125-F164 WeakPolarHBondContact O-CB 3.27Å; M153-F164 HydrophobicContact CB-CD2 4Å; M153-F164 HydrophobicContact CB-CE2 3.72Å; M153-F164 HydrophobicContact CB-CZ 4Å; M153-F164 WeakPolarHBondContact CB-O 3.41Å; M153-F164 HydrophobicContact CG-CD2 3.9Å; M153-F164 HydrophobicContact CG-CE2 3.56Å; M153-F164 HydrophobicContact CG-CZ 4.26Å; M153-F164 PolarHBondContact N-O 2.74Å; R162-F164 HydrophobicContact CB-CD1 3.75Å; R162-F164 HydrophobicContact CB-CE1 3.56Å; R162-F164 HydrophobicContact CB-CZ 4.48Å; R162-F164 HydrophobicContact CG-CE1 4.48Å; R162-F164 WeakPolarHBondContact O-CD1 3.37Å; R162-F164 PolarHBondContact O-N 3.39Å; F164-F166 HydrophobicContact CD2-CE2 4.47Å; F164-F166 HydrophobicContact CE2-CE2 4.23Å
165G94.1Very high91.6Very high0 Ų062.8 Ų62.80%032%0.315CS..EExtended strand (participates in β ladder)trans-155.5-168.9174.800000111.8V125 M151V125-G165 PolarHBondContact N-O 3.28Å; V125-G165 PolarHBondContact O-N 2.8Å; M151-G165 CarbonylContact O-C 3.58Å; M151-G165 WeakPolarHBondContact O-CA 3.4Å
166F94.8Very high91.5Very high21 Ų2164.6 Ų64.69%0.09232%0.321CS..EExtended strand (participates in β ladder)trans-135.9145.8174.6-58.6-92.5000110.4K122 I123 F124 S150 M151 M153 F164 A196K122-F166 HydrophobicContact CD-CB 4.23Å; K122-F166 HydrophobicContact CG-CB 4.26Å; I123-F166 WeakPolarHBondContact O-CA 3.41Å; I123-F166 WeakPolarHBondContact O-CB 3.46Å; F124-F166 HydrophobicContact CB-CD1 4.15Å; F124-F166 HydrophobicContact CB-CE1 4.05Å; F124-F166 HydrophobicContact CD2-CD1 4.42Å; F124-F166 AromaticContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CZ 4.06Å; F124-F166 HydrophobicContact CG-CE1 4.45Å; S150-F166 CarbonylContact C-O 3.58Å; S150-F166 WeakPolarHBondContact CA-O 3.11Å; M151-F166 PolarHBondContact N-O 2.74Å; M151-F166 PolarHBondContact O-N 3.42Å; M153-F166 HydrophobicContact CG-CD2 4.11Å; M153-F166 HydrophobicContact CG-CE2 3.93Å; M153-F166 HydrophobicContact SD-CD2 4.37Å; M153-F166 HydrophobicContact SD-CE2 4.2Å; F164-F166 HydrophobicContact CD2-CE2 4.47Å; F164-F166 HydrophobicContact CE2-CE2 4.23Å; F166-A196 HydrophobicContact CD1-CB 3.89Å; F166-A196 HydrophobicContact CE1-CB 4.1Å
167V94.9Very high91.5Very high0 Ų061 Ų610%031%0.306CS..EExtended strand (participates in β ladder)trans-125.7138.6170.8-177.60000108.4K122 I123 V125 M137 F141 I147 D149 F169K122-V167 CarbonylContact C-O 3.5Å; K122-V167 VanDerWaalsContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CG-O 3.44Å; I123-V167 HydrophobicContact CD1-CB 3.98Å; I123-V167 HydrophobicContact CD1-CG2 4.47Å; I123-V167 HydrophobicContact CG1-CB 3.77Å; I123-V167 WeakPolarHBondContact CG1-O 3.19Å; I123-V167 PolarHBondContact N-O 3.36Å; I123-V167 PolarHBondContact O-N 2.74Å; I123-V167 VanDerWaalsContact O-N 3.1Å; V125-V167 HydrophobicContact CG2-CG2 4.13Å; M137-V167 HydrophobicContact CG-CG2 3.66Å; M137-V167 HydrophobicContact SD-CG2 3.51Å; M137-V167 VanDerWaalsContact SD-CG2 3.51Å; F141-V167 HydrophobicContact CB-CG1 4.34Å; F141-V167 HydrophobicContact CD2-CG2 3.81Å; F141-V167 HydrophobicContact CE2-CG2 4.34Å; F141-V167 HydrophobicContact CG-CG2 4.34Å; I147-V167 HydrophobicContact CB-CG1 4.46Å; I147-V167 HydrophobicContact CD1-CG1 3.98Å; I147-V167 HydrophobicContact CG1-CG1 3.88Å; I147-V167 HydrophobicContact CG2-CG1 3.85Å; D149-V167 CarbonylContact O-C 3.54Å; V167-F169 HydrophobicContact CG1-CE1 4.39Å; V167-F169 HydrophobicContact CG1-CE2 4.26Å; V167-F169 HydrophobicContact CG1-CZ 4.17Å
168T94.1Very high91.7Very high13 Ų1356.2 Ų56.28%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-112.2119.9175.6-33.30000107K121 K122 I147 E148 D149K121-T168 HydrophobicContact CB-CG2 3.9Å; K121-T168 CarbonylContact O-C 3.58Å; K121-T168 WeakPolarHBondContact O-CA 3.31Å; K122-T168 HydrophobicContact CB-CG2 4.33Å; K122-T168 HydrophobicContact CG-CG2 4.39Å; K122-T168 PolarHBondContact NZ-OG1 3.01Å; I147-T168 CarbonylContact C-O 3.44Å; I147-T168 WeakPolarHBondContact CA-O 3.39Å; E148-T168 HydrophobicContact CB-CG2 4.43Å; E148-T168 PolarHBondContact N-O 3.36Å; D149-T168 PolarHBondContact N-O 3.12Å; D149-T168 PolarHBondContact O-N 3.4Å; D149-T168 PolarHBondContact O-OG1 2.86Å; D149-T168 PolarHBondContact OD2-OG1 2.78Å
169F95.2Very high91.7Very high0 Ų054 Ų540%026%0.258CS..EExtended strand (participates in β ladder)trans-94.8154.8173-64.9-81.2000110.2K121 I123 F141 S146 I147 V167 N171 V174 V175 V178K121-F169 VanDerWaalsContact CB-O 3.28Å; K121-F169 WeakPolarHBondContact CB-O 3.19Å; K121-F169 WeakPolarHBondContact CD-O 3.4Å; K121-F169 WeakPolarHBondContact CG-O 3.4Å; K121-F169 PolarHBondContact O-N 3.44Å; I123-F169 HydrophobicContact CD1-CE2 3.64Å; I123-F169 HydrophobicContact CD1-CZ 4.19Å; I123-F169 HydrophobicContact CG1-CE2 3.92Å; F141-F169 HydrophobicContact CB-CE1 4.11Å; F141-F169 HydrophobicContact CB-CZ 3.88Å; F141-F169 HydrophobicContact CD1-CZ 4.01Å; F141-F169 HydrophobicContact CG-CZ 4.24Å; F141-F169 WeakPolarHBondContact O-CE1 3.5Å; S146-F169 CarbonylContact O-C 3.57Å; S146-F169 VanDerWaalsContact O-CA 3.3Å; S146-F169 WeakPolarHBondContact O-CA 3.43Å; I147-F169 HydrophobicContact CG1-CD1 4.1Å; I147-F169 HydrophobicContact CG1-CE1 4.01Å; V167-F169 HydrophobicContact CG1-CE1 4.39Å; V167-F169 HydrophobicContact CG1-CE2 4.26Å; V167-F169 HydrophobicContact CG1-CZ 4.17Å; F169-N171 VanDerWaalsContact C-N 3.32Å; F169-V174 HydrophobicContact CB-CB 4.27Å; F169-V174 HydrophobicContact CB-CG1 4.39Å; F169-V174 HydrophobicContact CD1-CB 4.32Å; F169-V174 HydrophobicContact CD1-CG1 3.56Å; F169-V174 HydrophobicContact CD2-CB 4.47Å; F169-V174 HydrophobicContact CD2-CG1 4.03Å; F169-V174 HydrophobicContact CE1-CG1 3.64Å; F169-V174 HydrophobicContact CE2-CG1 4.09Å; F169-V174 HydrophobicContact CG-CB 4.12Å; F169-V174 HydrophobicContact CG-CG1 3.73Å; F169-V174 HydrophobicContact CZ-CG1 3.9Å; F169-V175 HydrophobicContact CD2-CG2 3.73Å; F169-V175 HydrophobicContact CE2-CG2 4.49Å; F169-V178 HydrophobicContact CE2-CG2 4.41Å; F169-V178 HydrophobicContact CZ-CG2 4.22Å
170D93.7Very high91.7Very high82 Ų8255 Ų5544%0.43926%0.259SS..SBendtrans-66.4-36.1171.6-17020.5000111.9K121 S146K121-D170 WeakPolarHBondContact CD-O 3.12Å; K121-D170 WeakPolarHBondContact CE-O 2.99Å; K121-D170 PolarHBondContact NZ-O 3.15Å; K121-D170 IonicContact NZ-OD1 3.57Å; K121-D170 PolarHBondContact NZ-OD1 2.85Å; S146-D170 PolarHBondContact O-N 3.49Å
171N90.7Very high91.8Very high84 Ų8450.2 Ų50.245%0.44925%0.245SC..  trans-104.5134.7-178.1-70.1-46.4000112.7F169 D173 V174F169-N171 VanDerWaalsContact C-N 3.32Å; N171-D173 VanDerWaalsContact C-N 3.34Å; N171-D173 PolarHBondContact O-N 3.3Å; N171-V174 HydrophobicContact CB-CG2 3.93Å; N171-V174 PolarHBondContact O-N 2.93Å
172E90Very high91.4Very high40 Ų4056.3 Ų56.319%0.18727%0.274CS..Hα-helixtrans-67.3-34.1177-158.2-158.7147.500112.1K119 V174 V175 E176K119-E172 VanDerWaalsContact CA-OE1 3.27Å; K119-E172 WeakPolarHBondContact CA-OE1 3.2Å; K119-E172 VanDerWaalsContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CG-OE1 3.27Å; K119-E172 IonicContact NZ-OE1 2.8Å; K119-E172 PolarHBondContact NZ-OE1 3.3Å; K119-E172 IonicContact NZ-OE2 2.61Å; K119-E172 PolarHBondContact NZ-OE2 3.41Å; E172-V174 PolarHBondContact O-N 3.48Å; E172-V174 VanDerWaalsContact O-N 3.15Å; E172-V175 WeakPolarHBondContact O-CA 3.25Å; E172-V175 VanDerWaalsContact O-CB 3.28Å; E172-V175 WeakPolarHBondContact O-CB 3.09Å; E172-V175 PolarHBondContact O-N 2.83Å; E172-E176 PolarHBondContact O-N 3.43Å
173D90Very high91.4Very high97 Ų9755.2 Ų55.252%0.51927%0.273SS..Hα-helixtrans-64.1-23.1-178.1-44.5-52.3000112.6N171 E176 K177N171-D173 VanDerWaalsContact C-N 3.34Å; N171-D173 PolarHBondContact O-N 3.3Å; D173-E176 PolarHBondContact O-N 3.4Å; D173-K177 WeakPolarHBondContact O-CG 3.42Å; D173-K177 PolarHBondContact O-N 3.48Å
174V92Very high91.4Very high13 Ų1354.3 Ų54.38%0.07926%0.264CS..Hα-helixtrans-70.6-37.9173.4-178.30000110.6F144 F169 N171 E172 E176 K177 V178F144-V174 HydrophobicContact CB-CG1 3.71Å; F144-V174 WeakPolarHBondContact O-CG1 3.48Å; F169-V174 HydrophobicContact CB-CB 4.27Å; F169-V174 HydrophobicContact CB-CG1 4.39Å; F169-V174 HydrophobicContact CD1-CB 4.32Å; F169-V174 HydrophobicContact CD1-CG1 3.56Å; F169-V174 HydrophobicContact CD2-CB 4.47Å; F169-V174 HydrophobicContact CD2-CG1 4.03Å; F169-V174 HydrophobicContact CE1-CG1 3.64Å; F169-V174 HydrophobicContact CE2-CG1 4.09Å; F169-V174 HydrophobicContact CG-CB 4.12Å; F169-V174 HydrophobicContact CG-CG1 3.73Å; F169-V174 HydrophobicContact CZ-CG1 3.9Å; N171-V174 HydrophobicContact CB-CG2 3.93Å; N171-V174 PolarHBondContact O-N 2.93Å; E172-V174 PolarHBondContact O-N 3.48Å; E172-V174 VanDerWaalsContact O-N 3.15Å; V174-E176 VanDerWaalsContact C-N 3.28Å; V174-E176 PolarHBondContact O-N 3.03Å; V174-K177 PolarHBondContact O-N 2.92Å; V174-V178 HydrophobicContact CG1-CG2 4.3Å; V174-V178 WeakPolarHBondContact O-CB 3.47Å; V174-V178 VanDerWaalsContact O-CG2 3.27Å; V174-V178 WeakPolarHBondContact O-CG2 3.45Å; V174-V178 PolarHBondContact O-N 3.18Å
175V91.5Very high91.3Very high0 Ų058.3 Ų58.30%028%0.283CS..Hα-helixtrans-65.3-32.2175.6172.90000111.6T120 K121 I123 F169 E172 V179 K195T120-V175 HydrophobicContact CG2-CG1 4.42Å; T120-V175 WeakPolarHBondContact O-CG2 3.26Å; K121-V175 WeakPolarHBondContact O-CG2 3.49Å; I123-V175 HydrophobicContact CG2-CB 4.31Å; I123-V175 HydrophobicContact CG2-CG1 3.7Å; I123-V175 HydrophobicContact CG2-CG2 4.22Å; F169-V175 HydrophobicContact CD2-CG2 3.73Å; F169-V175 HydrophobicContact CE2-CG2 4.49Å; E172-V175 WeakPolarHBondContact O-CA 3.25Å; E172-V175 VanDerWaalsContact O-CB 3.28Å; E172-V175 WeakPolarHBondContact O-CB 3.09Å; E172-V175 PolarHBondContact O-N 2.83Å; V175-V179 WeakPolarHBondContact O-CB 3.46Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.48Å; V175-V179 PolarHBondContact O-N 2.97Å; V175-K195 HydrophobicContact CG1-CD 4.14Å; V175-K195 HydrophobicContact CG1-CG 3.83Å
176E89.2Confident91.2Very high88 Ų8858.6 Ų58.641%0.41128%0.284SS..Hα-helixtrans-67.4-54175.6-53.2-121.5104.600110.2E172 D173 V174 V178 V179 E180 K195E172-E176 PolarHBondContact O-N 3.43Å; D173-E176 PolarHBondContact O-N 3.4Å; V174-E176 VanDerWaalsContact C-N 3.28Å; V174-E176 PolarHBondContact O-N 3.03Å; E176-V178 VanDerWaalsContact C-N 3.31Å; E176-V178 PolarHBondContact O-N 3.07Å; E176-V179 PolarHBondContact O-N 3.21Å; E176-V179 VanDerWaalsContact O-N 3.07Å; E176-E180 PolarHBondContact O-N 2.94Å; E176-K195 IonicContact OE1-NZ 3.62Å; E176-K195 PolarHBondContact OE1-NZ 2.99Å
177K90.7Very high90.9Very high127 Ų12761.4 Ų61.455%0.55230%0.3SS*.Hα-helixtrans-58.1-38.8178.7-66.2168.6-174.3176.60113.2D173 V174 I181D173-K177 WeakPolarHBondContact O-CG 3.42Å; D173-K177 PolarHBondContact O-N 3.48Å; V174-K177 PolarHBondContact O-N 2.92Å; K177-I181 PolarHBondContact O-N 3.22Å
178V91.9Very high90.6Very high0 Ų064.5 Ų64.50%033%0.332CS..Hα-helixtrans-73.4-28.1178.2172.60000112.2I123 F141 F144 F169 V174 E176 H184 C193I123-V178 HydrophobicContact CD1-CG1 3.84Å; F141-V178 HydrophobicContact CD1-CG1 4.2Å; F141-V178 HydrophobicContact CE1-CG1 3.78Å; F144-V178 HydrophobicContact CB-CG2 3.77Å; F144-V178 HydrophobicContact CD1-CG2 3.93Å; F144-V178 HydrophobicContact CD2-CG2 3.77Å; F144-V178 HydrophobicContact CE1-CG2 4.45Å; F144-V178 HydrophobicContact CE2-CG2 4.31Å; F144-V178 HydrophobicContact CG-CG2 3.56Å; F169-V178 HydrophobicContact CE2-CG2 4.41Å; F169-V178 HydrophobicContact CZ-CG2 4.22Å; V174-V178 HydrophobicContact CG1-CG2 4.3Å; V174-V178 WeakPolarHBondContact O-CB 3.47Å; V174-V178 VanDerWaalsContact O-CG2 3.27Å; V174-V178 WeakPolarHBondContact O-CG2 3.45Å; V174-V178 PolarHBondContact O-N 3.18Å; E176-V178 VanDerWaalsContact C-N 3.31Å; E176-V178 PolarHBondContact O-N 3.07Å; V178-H184 PolarHBondContact O-NE2 3.31Å; V178-C193 HydrophobicContact CG1-CB 3.95Å
179V89.3Confident90.5Very high43 Ų4368 Ų6826%0.26135%0.346SS..Hα-helixtrans-89.2-17.9177.2173.70000112.7I123 V175 E176 I181 K195I123-V179 HydrophobicContact CG2-CG2 3.95Å; V175-V179 WeakPolarHBondContact O-CB 3.46Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.48Å; V175-V179 PolarHBondContact O-N 2.97Å; E176-V179 PolarHBondContact O-N 3.21Å; E176-V179 VanDerWaalsContact O-N 3.07Å; V179-I181 VanDerWaalsContact C-N 3.33Å; V179-K195 HydrophobicContact CB-CG 4.41Å; V179-K195 HydrophobicContact CG1-CG 4.31Å; V179-K195 HydrophobicContact CG2-CG 3.93Å
180E88.9Confident90.3Very high152 Ų15273.3 Ų73.371%0.7137%0.372SS*.Hα-helixtrans-67-34.2167.6-174170.1-153.300111.8E176 H182E176-E180 PolarHBondContact O-N 2.94Å; E180-H182 PolarHBondContact O-N 2.18Å
181I89.2Confident90.3Very high67 Ų6769.5 Ų69.534%0.34435%0.352SS..SBendtrans-75.2109.5173-62.8166.9000109.6F144 K177 V179 F183F144-I181 HydrophobicContact CE1-CD1 3.65Å; F144-I181 HydrophobicContact CZ-CD1 4.15Å; K177-I181 PolarHBondContact O-N 3.22Å; V179-I181 VanDerWaalsContact C-N 3.33Å; I181-F183 VanDerWaalsContact C-N 3.34Å; I181-F183 VanDerWaalsContact CG2-O 3.31Å; I181-F183 WeakPolarHBondContact CG2-O 3.24Å; I181-F183 PolarHBondContact O-N 2.9Å
182H83.4Confident90.5Very high149 Ų14969.2 Ų69.269%0.6935%0.348SS*.SBendtrans-63.3-33.5-176.8-72.5-32.2000114.9E180E180-H182 PolarHBondContact O-N 2.18Å
183F89.9Confident90.6Very high125 Ų12567.7 Ų67.755%0.54834%0.342SS..  trans-141.5135.4-178.2-62.7-74000111.7I181 M190 V191I181-F183 VanDerWaalsContact C-N 3.34Å; I181-F183 VanDerWaalsContact CG2-O 3.31Å; I181-F183 WeakPolarHBondContact CG2-O 3.24Å; I181-F183 PolarHBondContact O-N 2.9Å; F183-M190 HydrophobicContact CB-CE 3.63Å; F183-M190 HydrophobicContact CB-SD 4.15Å; F183-M190 HydrophobicContact CD1-CB 4.32Å; F183-M190 HydrophobicContact CG-CE 4.21Å; F183-V191 WeakPolarHBondContact CA-O 3.47Å
184H92.2Very high90.6Very high1 Ų167.8 Ų67.81%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-113.3133.3174.7-65-85.6000109.7Y140 F144 V178 M190 V191 C193Y140-H184 HydrophobicContact CE1-CB 3.67Å; Y140-H184 AromaticContact CE1-CG 3.8Å; Y140-H184 AromaticContact CE1-ND1 3.42Å; Y140-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y140-H184 AromaticContact CZ-ND1 3.62Å; Y140-H184 WeakPolarHBondContact OH-CB 3.38Å; Y140-H184 PolarHBondContact OH-ND1 2.44Å; F144-H184 AromaticContact CZ-CE1 3.8Å; F144-H184 AromaticContact CZ-ND1 3.81Å; V178-H184 PolarHBondContact O-NE2 3.31Å; H184-M190 CarbonylContact O-C 3.57Å; H184-M190 WeakPolarHBondContact O-CA 3.31Å; H184-V191 HydrophobicContact CB-CB 4.34Å; H184-V191 PolarHBondContact N-O 2.76Å; H184-V191 WeakPolarHBondContact O-CB 3.48Å; H184-V191 PolarHBondContact O-N 2.75Å; H184-C193 PolarHBondContact CD2-SG 3.11Å
185E92.3Very high90.6Very high123 Ų12368.3 Ų68.358%0.57534%0.339SS*.EExtended strand (participates in β ladder)trans-90.6118.9173.4-165.4179.6158.800110.4Y140 G188 K189 M190Y140-E185 VanDerWaalsContact CE2-O 3.31Å; Y140-E185 WeakPolarHBondContact CE2-O 3.47Å; E185-G188 WeakPolarHBondContact OE1-CA 3.39Å; E185-K189 WeakPolarHBondContact CA-O 3.36Å; E185-M190 HydrophobicContact CB-SD 4.26Å
186I91.5Very high90.4Very high6 Ų668.7 Ų68.73%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-132.4124.5175.4-50.3-178.1000108.1L128 T132 D136 Y140 F141 G188 K189 V191L128-I186 HydrophobicContact CD2-CD1 4.34Å; T132-I186 HydrophobicContact CG2-CG2 3.98Å; D136-I186 HydrophobicContact CB-CG2 4.48Å; Y140-I186 HydrophobicContact CD1-CD1 3.6Å; Y140-I186 HydrophobicContact CD1-CG1 3.82Å; Y140-I186 HydrophobicContact CD2-CG1 4.12Å; Y140-I186 HydrophobicContact CE1-CD1 4.15Å; Y140-I186 HydrophobicContact CE1-CG1 4.15Å; Y140-I186 HydrophobicContact CE2-CG1 4.43Å; Y140-I186 HydrophobicContact CG-CD1 3.93Å; Y140-I186 HydrophobicContact CG-CG1 3.82Å; F141-I186 HydrophobicContact CE2-CD1 3.81Å; F141-I186 HydrophobicContact CZ-CD1 4.09Å; I186-G188 VanDerWaalsContact C-N 3.31Å; I186-G188 PolarHBondContact O-N 3.29Å; I186-K189 PolarHBondContact N-O 3.29Å; I186-K189 PolarHBondContact O-N 2.83Å; I186-K189 VanDerWaalsContact O-N 3.13Å; I186-V191 HydrophobicContact CB-CG2 4.08Å; I186-V191 HydrophobicContact CD1-CB 4.48Å; I186-V191 HydrophobicContact CD1-CG1 4.42Å; I186-V191 HydrophobicContact CD1-CG2 4.24Å; I186-V191 HydrophobicContact CG1-CG2 4.12Å
187N87.9Confident90.2Very high80 Ų8068.1 Ų68.143%0.42834%0.339SS..THydrogen-bonded Turntrans50.144.9-175.6-60-5.2000113.7T132 D136 K189T132-N187 WeakPolarHBondContact CA-ND2 3.39Å; T132-N187 PolarHBondContact OG1-ND2 3.17Å; D136-N187 PolarHBondContact OD2-ND2 2.86Å; N187-K189 VanDerWaalsContact C-N 3.27Å; N187-K189 PolarHBondContact O-N 3.35Å
188G88.2Confident89.6Confident65 Ų6565.1 Ų65.167%0.6733%0.332SS*.THydrogen-bonded Turntrans69.919.2179.300000114.6E185 I186E185-G188 WeakPolarHBondContact OE1-CA 3.39Å; I186-G188 VanDerWaalsContact C-N 3.31Å; I186-G188 PolarHBondContact O-N 3.29Å
189K92.1Very high88.5Confident86 Ų8672.4 Ų72.437%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-132139.2-179.1-165.5-177.3178.1-160.90111.2G127 L128 E185 I186 N187G127-K189 VanDerWaalsContact O-CD 3.25Å; G127-K189 WeakPolarHBondContact O-CD 3.42Å; G127-K189 WeakPolarHBondContact O-CE 3.4Å; G127-K189 PolarHBondContact O-NZ 3Å; L128-K189 PolarHBondContact O-NZ 2.86Å; E185-K189 WeakPolarHBondContact CA-O 3.36Å; I186-K189 PolarHBondContact N-O 3.29Å; I186-K189 PolarHBondContact O-N 2.83Å; I186-K189 VanDerWaalsContact O-N 3.13Å; N187-K189 VanDerWaalsContact C-N 3.27Å; N187-K189 PolarHBondContact O-N 3.35Å
190M92.3Very high87.4Confident112 Ų11278.4 Ų78.455%0.55239%0.389SS*.EExtended strand (participates in β ladder)trans-74.5130.6174.5-63.4-60.6-115.200111.6F183 H184 E185F183-M190 HydrophobicContact CB-CE 3.63Å; F183-M190 HydrophobicContact CB-SD 4.15Å; F183-M190 HydrophobicContact CD1-CB 4.32Å; F183-M190 HydrophobicContact CG-CE 4.21Å; H184-M190 CarbonylContact O-C 3.57Å; H184-M190 WeakPolarHBondContact O-CA 3.31Å; E185-M190 HydrophobicContact CB-SD 4.26Å
191V94.2Very high86.1Confident1 Ų176.1 Ų76.11%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-125134-174.4179.40000108.4V125 G126 L128 F183 H184 I186V125-V191 HydrophobicContact CG1-CG1 3.36Å; G126-V191 CarbonylContact O-C 3.57Å; G126-V191 WeakPolarHBondContact O-CA 3.42Å; G126-V191 VanDerWaalsContact O-CG1 3.31Å; G126-V191 WeakPolarHBondContact O-CG1 3.14Å; L128-V191 HydrophobicContact CD2-CG1 3.93Å; L128-V191 HydrophobicContact CD2-CG2 4.04Å; L128-V191 HydrophobicContact CG-CG1 4.46Å; F183-V191 WeakPolarHBondContact CA-O 3.47Å; H184-V191 HydrophobicContact CB-CB 4.34Å; H184-V191 PolarHBondContact N-O 2.76Å; H184-V191 WeakPolarHBondContact O-CB 3.48Å; H184-V191 PolarHBondContact O-N 2.75Å; I186-V191 HydrophobicContact CB-CG2 4.08Å; I186-V191 HydrophobicContact CD1-CB 4.48Å; I186-V191 HydrophobicContact CD1-CG1 4.42Å; I186-V191 HydrophobicContact CD1-CG2 4.24Å; I186-V191 HydrophobicContact CG1-CG2 4.12Å
192E93.2Very high84.6Confident79 Ų7977.5 Ų77.537%0.36939%0.392SS..EExtended strand (participates in β ladder)trans-100.4129.3-179-171.6-167.8-146.500110.2G126 K194G126-E192 PolarHBondContact N-O 3.43Å; G126-E192 PolarHBondContact O-N 2.93Å; E192-K194 WeakPolarHBondContact OE1-CE 3.26Å; E192-K194 IonicContact OE1-NZ 2.74Å; E192-K194 PolarHBondContact OE1-NZ 3.05Å; E192-K194 WeakPolarHBondContact OE2-CE 3.4Å; E192-K194 IonicContact OE2-NZ 3.46Å; E192-K194 PolarHBondContact OE2-NZ 3.22Å
193C92.7Very high83.4Confident8 Ų876.5 Ų76.55%0.05439%0.391CS..EExtended strand (participates in β ladder)trans-106.5135.9177.1-74.80000112F124 F141 V178 H184F124-C193 WeakPolarHBondContact O-CA 3.11Å; F141-C193 VanDerWaalsContact CZ-SG 3.56Å; V178-C193 HydrophobicContact CG1-CB 3.95Å; H184-C193 PolarHBondContact CD2-SG 3.11Å
194K91Very high81.6Confident98 Ų9875 Ų7543%0.42639%0.393SS..EExtended strand (participates in β ladder)trans-139150.4178.8-77.4170.3175.4152.30110.3I123 F124 E192 A196I123-K194 CarbonylContact C-O 3.46Å; I123-K194 WeakPolarHBondContact CA-O 3.19Å; F124-K194 HydrophobicContact CD1-CB 4.38Å; F124-K194 PolarHBondContact N-O 3.07Å; F124-K194 PolarHBondContact O-N 3.35Å; E192-K194 WeakPolarHBondContact OE1-CE 3.26Å; E192-K194 IonicContact OE1-NZ 2.74Å; E192-K194 PolarHBondContact OE1-NZ 3.05Å; E192-K194 WeakPolarHBondContact OE2-CE 3.4Å; E192-K194 IonicContact OE2-NZ 3.46Å; E192-K194 PolarHBondContact OE2-NZ 3.22Å; K194-A196 PolarHBondContact O-N 3.5Å
195K90.6Very high79.7Confident24 Ų2481 Ų8110%0.10443%0.43CS..EExtended strand (participates in β ladder)trans-63.3123173.2-66.8-161.5176.1-150.90110.1V117 T120 V175 E176 V179 Q197V117-K195 HydrophobicContact CG1-CD 3.64Å; V117-K195 VanDerWaalsContact CG1-NZ 3.29Å; T120-K195 HydrophobicContact CG2-CB 3.96Å; T120-K195 HydrophobicContact CG2-CD 4.34Å; T120-K195 HydrophobicContact CG2-CG 4.42Å; V175-K195 HydrophobicContact CG1-CD 4.14Å; V175-K195 HydrophobicContact CG1-CG 3.83Å; E176-K195 IonicContact OE1-NZ 3.62Å; E176-K195 PolarHBondContact OE1-NZ 2.99Å; V179-K195 HydrophobicContact CB-CG 4.41Å; V179-K195 HydrophobicContact CG1-CG 4.31Å; V179-K195 HydrophobicContact CG2-CG 3.93Å; K195-Q197 PolarHBondContact O-N 3.47Å; K195-Q197 PolarHBondContact O-NE2 3.3Å
196A88.7Confident77.6Confident8 Ų882.7 Ų82.77%0.06644%0.438CS..PPolyproline II helixtrans-64.7126.7-170.900000111K122 F124 F166 K194K122-A196 HydrophobicContact CB-CB 4Å; K122-A196 HydrophobicContact CG-CB 4.21Å; K122-A196 WeakPolarHBondContact O-CB 3.16Å; K122-A196 PolarHBondContact O-N 3.22Å; F124-A196 HydrophobicContact CB-CB 4.46Å; F166-A196 HydrophobicContact CD1-CB 3.89Å; F166-A196 HydrophobicContact CE1-CB 4.1Å; K194-A196 PolarHBondContact O-N 3.5Å
197Q84Confident75.6Confident77 Ų7788.6 Ų88.636%0.3647%0.469SS..PPolyproline II helixtrans-81.2142.3174.9-63.6-56.8-68.300110.5K195 M202K195-Q197 PolarHBondContact O-N 3.47Å; K195-Q197 PolarHBondContact O-NE2 3.3Å; Q197-M202 HydrophobicContact CB-CG 3.89Å; Q197-M202 HydrophobicContact CB-SD 4.21Å
198P78.3Confident73.8Confident63 Ų6387.8 Ų87.841%0.40947%0.473SS..PPolyproline II helixtrans-56.7140.4172.2-24.634.4000111.4E200 V201 M202P198-E200 PolarHBondContact O-N 3.36Å; P198-V201 HydrophobicContact CB-CG2 4.35Å; P198-V201 PolarHBondContact O-N 2.8Å; P198-M202 PolarHBondContact O-N 2.89Å
199K69.8Low72.1Confident153 Ų15393.2 Ų93.267%0.66548%0.478SS*.THydrogen-bonded Turntrans-57-29.1-176.1-69.5179.9-179.8172.40113.2V201 M202 L203K199-V201 VanDerWaalsContact C-N 3.35Å; K199-M202 PolarHBondContact O-N 2.96Å; K199-L203 PolarHBondContact O-N 3.44Å
200E65.2Low70Confident169 Ų16992.9 Ų92.979%0.7949%0.487SS*.THydrogen-bonded Turntrans-62.3-38.3176.2-65.5169.6-15800112.6P198P198-E200 PolarHBondContact O-N 3.36Å
201V60.7Low68Low104 Ų10496.3 Ų96.363%0.6349%0.494SS*.THydrogen-bonded Turntrans-76.6-26.4176.2-1720000111.2P198 K199 L203P198-V201 HydrophobicContact CB-CG2 4.35Å; P198-V201 PolarHBondContact O-N 2.8Å; K199-V201 VanDerWaalsContact C-N 3.35Å; V201-L203 VanDerWaalsContact C-N 3.35Å
202M59.7Low66Low97 Ų9799.3 Ų99.348%0.47852%0.518SS..THydrogen-bonded Turntrans-83.6-0.7179.9-64.2-171.875.600114.6Q197 P198 K199 P204Q197-M202 HydrophobicContact CB-CG 3.89Å; Q197-M202 HydrophobicContact CB-SD 4.21Å; P198-M202 PolarHBondContact O-N 2.89Å; K199-M202 PolarHBondContact O-N 2.96Å; M202-P204 WeakPolarHBondContact O-CD 3.31Å
203L56.5Low64Low128 Ų12899.1 Ų99.167%0.6753%0.531SS*.SBendtrans-66.2123.4174.5-71.1177.5000110.1K199 V201 V205K199-L203 PolarHBondContact O-N 3.44Å; V201-L203 VanDerWaalsContact C-N 3.35Å; L203-V205 PolarHBondContact O-N 3.34Å
204P53.7Low62.1Low92 Ų92102 Ų10260%0.59755%0.551SS**  trans-59.3141-179.7-25.334.6000112.4M202 Q206M202-P204 WeakPolarHBondContact O-CD 3.31Å; P204-Q206 HydrophobicContact CB-CB 4.5Å; P204-Q206 HydrophobicContact CB-CG 4.24Å; P204-Q206 PolarHBondContact O-N 3.19Å
205V52.1Low60.2Low128 Ų128107.3 Ų107.378%0.77657%0.568SS**THydrogen-bonded Turntrans-74.155.9173.6-167.70000110.6L203 A208L203-V205 PolarHBondContact O-N 3.34Å; V205-A208 HydrophobicContact CG1-CB 3.94Å
206Q46.8Very low58.1Low158 Ų158113.2 Ų113.274%0.73860%0.601SS**THydrogen-bonded Turntrans-117.1-35.8177.2-66.3-167.4-900111.3P204 A208 K209P204-Q206 HydrophobicContact CB-CB 4.5Å; P204-Q206 HydrophobicContact CB-CG 4.24Å; P204-Q206 PolarHBondContact O-N 3.19Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 2.94Å; Q206-K209 PolarHBondContact O-N 3.34Å
207L49.8Very low56.1Low131 Ų131119 Ų11969%0.68663%0.63SS**THydrogen-bonded Turntrans-69.6-27172.6-15771.3000112.4K209 S210L207-K209 PolarHBondContact O-N 3.26Å; L207-S210 PolarHBondContact O-N 3.13Å
208A51.5Low54.3Low63 Ų63125.4 Ų125.452%0.52165%0.653SS.*Hα-helixtrans-60.1-32174.400000113V205 Q206 S210V205-A208 HydrophobicContact CG1-CB 3.94Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 2.94Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 2.95Å
209K51Low52.8Low178 Ų178126 Ų12677%0.77467%0.67SS**Hα-helixtrans-75.5-19.4-175.5-150.9164.3-173.2174.30113.2Q206 L207Q206-K209 PolarHBondContact O-N 3.34Å; L207-K209 PolarHBondContact O-N 3.26Å
210S47.6Very low51.8Low80 Ų80125.7 Ų125.756%0.55967%0.674SS**Hα-helixtrans-78-41.8175.7-169.70000112.3L207 A208 A212 A213L207-S210 PolarHBondContact O-N 3.13Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 2.95Å; S210-A212 PolarHBondContact O-N 3.36Å; S210-A213 PolarHBondContact O-N 3.44Å
211R51.4Low50.8Low184 Ų184122.3 Ų122.369%0.69467%0.67SS**Hα-helixtrans-70.6-14.3179-77.6-171.8166.9112.9-1.5114.8
212A51.3Low50.2Low63 Ų63124 Ų12452%0.52168%0.675SS.*Hα-helixtrans-69.5-35.5171.600000112.2S210 S214 R215S210-A212 PolarHBondContact O-N 3.36Å; A212-S214 PolarHBondContact O-N 3.39Å; A212-R215 PolarHBondContact O-N 2.86Å
213A52.3Low49.8Very low76 Ų76127.1 Ų127.163%0.62869%0.688SS**Hα-helixtrans-65.8-36.9-179.800000112.4S210 R215S210-A213 PolarHBondContact O-N 3.44Å; A213-R215 PolarHBondContact O-N 3.49Å
214S51.6Low49.4Very low68 Ų68129.8 Ų129.848%0.47670%0.695SS.*THydrogen-bonded Turntrans-71.9-4.8-177.7-48.50000115.3A212 Y218A212-S214 PolarHBondContact O-N 3.39Å; S214-Y218 VanDerWaalsContact O-CE2 3.29Å; S214-Y218 WeakPolarHBondContact O-CE2 3.49Å
215R51.3Low49.2Very low209 Ų209134 Ų13479%0.78970%0.704SS**THydrogen-bonded Turntrans-85.9-17.9179.3-74.1-170.9179.81690.6114.5A212 A213A212-R215 PolarHBondContact O-N 2.86Å; A213-R215 PolarHBondContact O-N 3.49Å
216N47.9Very low49.3Very low149 Ų149131.4 Ų131.480%0.79770%0.696SS**SBendtrans-9510.9-178.5-71.8-2000113.9
217L46.1Very low49.4Very low130 Ų130129.6 Ų129.668%0.68169%0.691SS**SBendtrans-11721.1-176.4-159.156.5000114
218Y45.9Very low49.3Very low211 Ų211131.5 Ų131.583%0.82769%0.691SS**SBendtrans-117.381.9167.8-58.5-75.7000108.5S214S214-Y218 VanDerWaalsContact O-CE2 3.29Å; S214-Y218 WeakPolarHBondContact O-CE2 3.49Å
219G47.4Very low49.5Very low74 Ų74130.8 Ų130.876%0.76369%0.685SS**SBendtrans163.9-19.9-177.300000116.1S221G219-S221 PolarHBondContact O-N 3.49Å
220L47.4Very low49.6Very low147 Ų147126 Ų12677%0.7768%0.679SS**  trans-82105.7168.6-89.2170.1000109.9
221S44.2Very low50.1Low99 Ų99126.9 Ų126.969%0.69268%0.681SS**  trans-69148174.943.80000112.4G219 H223G219-S221 PolarHBondContact O-N 3.49Å; S221-H223 PolarHBondContact O-N 3.47Å
222D49.3Very low50Low139 Ų139126.7 Ų126.774%0.74368%0.681SS**THydrogen-bonded Turntrans-49.6-15.4-158.1-65.3-87.8000119.8F224D222-F224 PolarHBondContact O-N 3Å
223H51Low49.9Very low162 Ų162130.4 Ų130.475%0.7569%0.692SS**THydrogen-bonded Turntrans-76.2-12.5-159.8-86-64.4000117.3S221S221-H223 PolarHBondContact O-N 3.47Å
224F47.5Very low49.6Very low185 Ų185132.3 Ų132.381%0.81170%0.698SS**THydrogen-bonded Turntrans-100.4-29.3-178.9-109.5-95.5000115.4D222 A226D222-F224 PolarHBondContact O-N 3Å; F224-A226 PolarHBondContact O-N 3.28Å
225F49.7Very low49.3Very low180 Ų180140.8 Ų140.879%0.78972%0.719SS**Hα-helixtrans-70.4-33.5-175.9-159.9-100.1000112.4N227 A229F225-N227 VanDerWaalsContact C-N 3.3Å; F225-N227 PolarHBondContact O-N 2.85Å; F225-A229 PolarHBondContact O-N 3.45Å
226A53.5Low48.8Very low73 Ų73139 Ų13960%0.60373%0.725SS**Hα-helixtrans-61.6-30.3-179.300000114.4F224F224-A226 PolarHBondContact O-N 3.28Å
227N50.4Low48.4Very low120 Ų120137 Ų13764%0.64272%0.722SS**Hα-helixtrans-86.2-31.1-177.2-91.8-62000113.9F225 A230F225-N227 VanDerWaalsContact C-N 3.3Å; F225-N227 PolarHBondContact O-N 2.85Å; N227-A230 PolarHBondContact O-N 2.83Å
228Y47.2Very low48.2Very low171 Ų171142 Ų14267%0.67173%0.734SS**Hα-helixtrans-75.8-32.8179.5-165.7-104.2000112.3A230 T231 Y232Y228-A230 PolarHBondContact O-N 2.97Å; Y228-T231 PolarHBondContact O-OG1 3.33Å; Y228-Y232 HydrophobicContact CE2-CD2 4.45Å
229A55.3Low48.1Very low48 Ų48135.9 Ų135.940%0.39772%0.722SS.*THydrogen-bonded Turntrans-65.2-22.917400000113.5F225F225-A229 PolarHBondContact O-N 3.45Å
230A54.4Low48Very low79 Ų79138.3 Ų138.365%0.65372%0.724SS**THydrogen-bonded Turntrans-81.8-15.3-17400000114.9N227 Y228N227-A230 PolarHBondContact O-N 2.83Å; Y228-A230 PolarHBondContact O-N 2.97Å
231T56.2Low47.8Very low98 Ų98136 Ų13660%0.60172%0.72SS**THydrogen-bonded Turntrans-111.6-14.7-168.739.20000115.9Y228Y228-T231 PolarHBondContact O-OG1 3.33Å
232Y50.7Low47.7Very low179 Ų179139.1 Ų139.170%0.70273%0.728SS**SBendtrans-128.87.3-172.8-79-80.1000116.3Y228Y228-Y232 HydrophobicContact CE2-CD2 4.45Å
233L49.7Very low47.2Very low141 Ų141143 Ų14374%0.73873%0.734SS**  trans-97115.7175.2-74.7174.5000112.1
234P46Very low46.6Very low117 Ų117145.2 Ų145.276%0.7674%0.737SS**  trans-69.5137.2172.428.9-33.1000111L236P234-L236 PolarHBondContact O-N 2.75Å
235R43.9Very low46.4Very low246 Ų246141.2 Ų141.293%0.92873%0.73SS**  trans-45.2114.9178.4-65.5-78.9-170148.82.1113.1
236L40.3Very low46Very low172 Ų172136.5 Ų136.590%0.90173%0.725SS**  trans-154.6121.4148.1-110.5150.9000111.5P234P234-L236 PolarHBondContact O-N 2.75Å
237S39.9Very low45.4Very low107 Ų107138 Ų13875%0.74873%0.731SS**  trans-66.8128.4-167.947.70000116.2
238Y42.1Very low45Very low233 Ų233139.4 Ų139.491%0.91474%0.737SS**  -155.5155.4121.5-147.3-107.1000110.7
239S43.6Very low44.5Very low84 Ų84142.2 Ų142.259%0.58775%0.748SS**  trans-119.9149.1174.6-1720000109.2
240P45.2Very low43.8Very low125 Ų125143.2 Ų143.281%0.81276%0.763SS**  -135.1155.3105.833.9-22.2000114
241S44Very low43Very low98 Ų98149.8 Ų149.869%0.68577%0.773SS**  trans-78.9162.8169.8480000112.5
242L42.3Very low42.2Very low164 Ų164154 Ų15486%0.85978%0.783SS**  trans162.598.6139.9-86.8165.8000107.6
243Y38.3Very low41.8Very low221 Ų221153.1 Ų153.187%0.86778%0.783SS**  82.5109.285-153.1-93.8000114.1
244Y37.9Very low41.4Very low208 Ų208150.6 Ų150.682%0.81678%0.783SS**  trans-65.1-175.1170.2-107.5-63.5000111.7
245P42.9Very low41.1Very low101 Ų101150.8 Ų150.866%0.65679%0.787SS**  cis-141.8-178.5-14.538.1-17.9000117.9
246A41.9Very low40.9Very low82 Ų82142.1 Ų142.168%0.67877%0.774SS**  trans85.4129.2135.900000123
247S41.8Very low40.9Very low105 Ų105140.3 Ų140.373%0.73477%0.765SS**  trans52.9121.113964.10000121.8
248L40.6Very low41Very low149 Ų149143.6 Ų143.678%0.7877%0.766SS**  -167.6139.8117.3-124.869.2000111.1
249Y38.4Very low40.7Very low230 Ų230140.7 Ų140.790%0.90277%0.765SS**  trans37.9145.2146.5-74.1-135.9000120.7
250G39.8Very low40.3Very low69 Ų69146.4 Ų146.471%0.71178%0.776SS**  cis177.7173.72.800000113.3
251Y38.6Very low40.2Very low217 Ų217146 Ų14685%0.85177%0.771SS**  trans-41.8152.6-176.2-69.3-100.1000118.8
252F39.3Very low39.8Very low187 Ų187147.8 Ų147.882%0.8277%0.773SS**  -160.1126.6114.4-124.6-103.6000113.4
253F40.5Very low39.6Very low160 Ų160147.2 Ų147.270%0.70277%0.77SS**  trans13.7126.3156.4-64-95.3000121.1
254A41.4Very low39.5Very low88 Ų88140.3 Ų140.373%0.72777%0.766SS**  80.614672.300000113.9
255S41.1Very low39.4Very low121 Ų121139.5 Ų139.585%0.84677%0.767SS**  cis-138.8157.811.3-58.10000111
256G39.8Very low39.1Very low64 Ų64139.4 Ų139.466%0.6677%0.765SS**  100.7104.59300000111.8
257D40.5Very low38.9Very low134 Ų134141.5 Ų141.572%0.71777%0.769SS**  82.8139.3101.5-82.2-11.6000114.3
258K41.3Very low38.7Very low176 Ų176142 Ų14277%0.76577%0.77SS**  cis-157.2146.9-4.9-122.9154.4-167.3144.60110.3
259L35.4Very low38.6Very low171 Ų171140.7 Ų140.790%0.89577%0.768SS**  trans-98.2154.2161.6-97.5165.9000109.3
260Y36.1Very low38.6Very low205 Ų205137 Ų13780%0.80476%0.763SS**  trans-138.4149.9-177.8-155.3-109.9000111.2
261T41.7Very low38.6Very low116 Ų116139.9 Ų139.971%0.71277%0.767SS**  trans64.1135.5173.439.50000117.7
262D36Very low39.3Very low136 Ų136135.8 Ų135.873%0.72776%0.764SS**  cis-162178.3-8.8-163.514.7000111.4
263L37.8Very low39.7Very low152 Ų152131.3 Ų131.380%0.79675%0.754SS**  trans84.2127.7166.3-50.5178.3000116.7
264G36.4Very low39.9Very low76 Ų76131.5 Ų131.578%0.78476%0.763SS**  trans-85.8-160.1-170.100000116.1
265F35.5Very low40.1Very low190 Ų190131.2 Ų131.283%0.83377%0.768SS**  cis-158.6152.535.7-153.7-117.6000113.2
266T37.4Very low39.9Very low100 Ų100136.6 Ų136.661%0.61377%0.77SS**  trans51.1104.616347.70000119.6
267T38.3Very low40.2Very low125 Ų125141.5 Ų141.577%0.76778%0.775SS**  69.4132.372.364.80000117.7
268P35.8Very low40.2Very low116 Ų116141.1 Ų141.175%0.75377%0.773SS**  trans-130166.9140.739.6-29.5000113.8
269T39.8Very low40.5Very low121 Ų121140.2 Ų140.274%0.74278%0.776SS**  trans66.5100160-50.70000116.5
270L38.6Very low40.8Very low153 Ų153137.7 Ų137.780%0.80177%0.768SS**  86.3149.968.6-76.2166.5000115.6
271T39.4Very low41Very low129 Ų129139.2 Ų139.279%0.79177%0.772SS**  trans79128.2-179.471.20000116.6
272V52.2Low41.1Very low131 Ų131138 Ų13879%0.79477%0.769SS**  cis112.3133.314.1160.10000111.2
273P48.4Very low41.3Very low94 Ų94139.5 Ų139.561%0.6177%0.773SS**  cis-148.7-162.4-19.842.4-21.5000116.1
274N44.6Very low41.6Very low164 Ų164140 Ų14088%0.87778%0.776SS**  trans80138.9151.8-67.7-8.1000121.1
275G46.3Very low41.9Very low82 Ų82144 Ų14485%0.84578%0.78SS**  trans131.174.7174.400000112.9
276R37Very low42.1Very low233 Ų233138.4 Ų138.488%0.87978%0.775SS**  trans-141.4130-175.7-164.7179.7-165.3161.45.4111.8
277H45.9Very low42.3Very low168 Ų168145.5 Ų145.578%0.77879%0.792SS**  trans-130.3129.6160.7-86.8-71.6000108.9
278D41Very low42.3Very low126 Ų126143.6 Ų143.667%0.67479%0.789SS**  trans38.3135.3130.3-50-55.4000119.4
279L46.4Very low43.1Very low156 Ų156144.2 Ų144.282%0.81779%0.793SS**  cis-140.1165.938.1-76.9160.9000115.2
280T42.6Very low43.4Very low119 Ų119141.4 Ų141.473%0.7379%0.788SS**  trans-29.7157.1161.156.70000116.3
281R40.3Very low43.8Very low236 Ų236144.2 Ų144.289%0.89179%0.79SS**  cis-166.4156.122.2-132167.3-177.7-1800.2105
282S44.1Very low44.2Very low91 Ų91144.2 Ų144.264%0.63679%0.789SS**  171.6129.455.4-176.90000111.4
283M40Very low43.7Very low167 Ų167143.5 Ų143.582%0.82379%0.79SS**  trans58.4141.9144.7-62.5-174-175.600124.6
284L44.6Very low44.3Very low162 Ų162145.3 Ų145.385%0.84880%0.802SS**  trans58.1117.8160.2-88.252.1000118.2
285N41.3Very low44.3Very low162 Ų162144 Ų14487%0.86680%0.8SS**  cis89107.645.6-176.291.8000114
286G40.7Very low44.2Very low71 Ų71146 Ų14673%0.73280%0.8SS**  trans173.9133171.800000113.2
287Y40.4Very low44.8Very low249 Ų249140.8 Ų140.898%0.97680%0.797SS**  trans-85.3173.5-173.4-120.5-116000113.9
288A38.3Very low44.7Very low85 Ų85136.1 Ų136.170%0.70280%0.795SS**  trans-116.2162.9-168.400000115.9
289P53.4Low45Very low129 Ų129136.6 Ų136.684%0.83880%0.802SS**  trans-97172155.538.6-31.7000111.6
290G45Very low44.9Very low62 Ų62137.3 Ų137.364%0.63980%0.801SS**  cis155.2149.1-8.100000113.6
291Y47.4Very low45.1Very low213 Ų213143.2 Ų143.284%0.83581%0.81SS**  trans60102.7155-70.8-88.3000120.6
292V47.8Very low45.4Very low129 Ų129137.2 Ų137.278%0.78280%0.802SS**  69.1145.894.3-45.60000118.2
293S42.8Very low45.5Very low116 Ų116144 Ų14481%0.81182%0.815SS**  trans-121.6139.6174.7-52.20000111.6
294P59.9Low46.3Very low132 Ų132142 Ų14286%0.85782%0.815SS**  trans-88.3152.6178.134.3-34.3000114.1
295T44.4Very low46.1Very low136 Ų136139.4 Ų139.483%0.83482%0.816SS**  trans-87.1160.1178.646.10000114.4
296S46Very low46.2Very low123 Ų123136.1 Ų136.186%0.8681%0.811SS**  trans-149.6123.6149.9-162.40000111.5
297P48Very low46.4Very low124 Ų124137.1 Ų137.181%0.80581%0.813SS**  trans-120.1167.9-17341.6-32.6000115.9
298G45Very low47Very low71 Ų71133.8 Ų133.873%0.73281%0.809SS**  trans122.1149.8169.100000114.1
299T45.7Very low47.6Very low136 Ų136134.9 Ų134.983%0.83481%0.808SS**  cis-152.2150.95-63.20000111.7
300H45.6Very low47.1Very low171 Ų171134.5 Ų134.579%0.79281%0.809SS**  trans-44.1148.9-176.9-57.2-102.8000119.4
301R46.5Very low47Very low243 Ų243136.1 Ų136.192%0.91782%0.816SS**  -171.2132.2104.8-105.9-176.4179.4-159.5-0114.9
302P47.3Very low46.8Very low110 Ų110132.1 Ų132.171%0.71481%0.814SS**  trans-100.3171.7164.238.3-32.6000113.1
303Y45.7Very low46.6Very low233 Ų233131.1 Ų131.191%0.91481%0.813SS**  trans-77.4146.1176.5-66.1-93.3000113.8
304P57.4Low46.6Very low126 Ų126134 Ų13482%0.81881%0.814SS**  trans-106.9167.3154.837.8-29.6000112.3
305A39.7Very low45.8Very low106 Ų106132.1 Ų132.188%0.87681%0.809SS**  trans-120.7156.8-17600000114.2
306A43.7Very low45.9Very low93 Ų93133.8 Ų133.877%0.76981%0.809SS**  trans-150127.3166.100000106.6
307A44.3Very low45.6Very low93 Ų93134.4 Ų134.477%0.76980%0.803SS**  69.2130.767.300000112.5
308M53Low45.7Very low179 Ų179135.2 Ų135.288%0.88280%0.799SS**  cis-155173.9-2.2-100.9-72.3-17800109.2
309P50.9Low45.7Very low107 Ų107142.4 Ų142.470%0.69581%0.806SS**  trans-108.6-164.5-162.443.2-39.4000116.6
310S42.4Very low45.5Very low121 Ų121139.7 Ų139.785%0.84680%0.797SS**  trans86.3156.4173.885.90000116.1
311A43.9Very low45.3Very low96 Ų96136.3 Ų136.379%0.79380%0.798SS**  cis-149.5162.93.700000115
312T42.1Very low45.2Very low130 Ų130129.6 Ų129.680%0.79880%0.795SS**  trans-49138.4169.9-48.80000118.8
313S43.8Very low44.8Very low108 Ų108128.3 Ų128.376%0.75580%0.801SS**  trans-172.2134.8139.5-158.60000107.8
314Q43.3Very low44.4Very low177 Ų177120.3 Ų120.383%0.82779%0.79SS**  cis73.7105.843.4-71.1-162.91.800116.3
315A42.5Very low44.3Very low91 Ų91121 Ų12175%0.75279%0.792SS**  trans-173.3129.3148.100000105.9
316M45.9Very low44.7Very low172 Ų172121.9 Ų121.985%0.84779%0.789SS**  59.6134.664.8-68.5-169.7157.600112.9
317D40.8Very low44.8Very low135 Ų135125.4 Ų125.472%0.72279%0.79SS**  cis-172.1-170.7-14.4-124.6-52.4000107.3
318I49.8Very low44.8Very low142 Ų142128 Ų12873%0.72879%0.79SS**  trans133.6112.1144-69.9165.4000116.7
319Y45.7Very low44.3Very low222 Ų222125.6 Ų125.687%0.87179%0.785SS**  trans44.3146.5141-67.9-111.4000122.2
320A40.9Very low44.3Very low79 Ų79125.2 Ų125.265%0.65378%0.783SS**  cis-171.2170.4-15.300000112.3
321A41.9Very low44.2Very low99 Ų99129.5 Ų129.582%0.81878%0.782SS**  trans17.6146.4141.600000121.7
322A43.9Very low44.5Very low102 Ų102132.9 Ų132.984%0.84379%0.786SS**  cis-169164.7-2.300000112.5
323G39.5Very low44.7Very low83 Ų83131.6 Ų131.686%0.85678%0.78SS**  trans81155.6162.900000116.4
324G37.7Very low45Very low66 Ų66132.7 Ų132.768%0.6878%0.782SS**  cis152.3134.2-8.100000112.8
325T54.5Low45.4Very low139 Ų139130.6 Ų130.685%0.85378%0.781SS**  trans63.5129.4173.863.40000118.8
326P49Very low45.9Very low125 Ų125131.4 Ų131.481%0.81278%0.781SS**  trans-116.7132.9158.635.6-24.3000111.7
327E44.4Very low46.5Very low167 Ų167127.9 Ų127.978%0.7877%0.771SS**  trans-149.1148.2179.1-115-165.2121.400116.2
328L45.8Very low47.2Very low149 Ų149129.4 Ų129.478%0.7877%0.774SS**  trans59.1113.1155.5-53.4-175.6000122.8
329T40.7Very low47.4Very low128 Ų128127.9 Ų127.979%0.78577%0.773SS**  trans-82.2-172.9150.954.40000110.8
330P50.7Low48Very low98 Ų98124.6 Ų124.664%0.63677%0.77SS**  cis-132.3-161.8-25.8215000113.3
331Y40.7Very low49.2Very low211 Ų211129 Ų12983%0.82778%0.777SS**  trans84.9121.8160.5-68.9-76.3000120.9
332L49.8Very low50Low167 Ų167129.3 Ų129.387%0.87477%0.77SS**  -163.5128.8128.6-106.5178.5000110.5
333P46.4Very low51Low104 Ų104133.1 Ų133.168%0.67578%0.776SS**  trans-119.7120.617736.4-24.6000114.8
334T51.7Low51.9Low131 Ų131138.1 Ų138.180%0.80478%0.776SS**  trans-174.4153.617134.10000109.1
335V52.1Low52.7Low132 Ų132143.8 Ų143.880%0.879%0.787SS**  cis-156.7161-9114.90000109
336S52.5Low52.9Low108 Ų108147.1 Ų147.176%0.75579%0.79SS**  trans-115.3143.2176.1-179.60000110.8
337P57.1Low53.2Low98 Ų98149.4 Ų149.464%0.63682%0.819SS**  -149.4-166.4101.934.7-12.1000112.5
338Q57.5Low53.7Low167 Ų167148.5 Ų148.578%0.7882%0.821SS**  cis-144.2161.910.3-75.4-69.19.400111.4
339P53.5Low54.1Low111 Ų111148.5 Ų148.572%0.72182%0.824SS**  trans-106.7154.6167.138.5-30.5000115
340L58.6Low54.8Low152 Ų152149.6 Ų149.680%0.79683%0.826SS**  trans-150.2151.1171.6-66.7173.2000108
341H65.4Low55.1Low172 Ų172152.6 Ų152.680%0.79684%0.837SS**  cis-149.8-175.2-6.8-125.5-19.8000107.3
342P58.9Low56Low105 Ų105149 Ų14968%0.68284%0.837SS**  trans-110.9162-15326.8-6.1000115.8
343L64.7Low56.4Low183 Ų183147.8 Ų147.896%0.95884%0.835SS**  trans-93.4131.9158.5-84.4168.1000109.8
344Q59Low57.1Low187 Ų187150.9 Ų150.987%0.87485%0.846SS**  trans-113.8131.8-173.2-166.3168.59.100110.8
345M54.1Low57.5Low185 Ų185152.5 Ų152.591%0.91185%0.85SS**  trans-66.1150.5-179.6-67.6174.5166.600112.9
346K57.9Low57.9Low210 Ų210154.2 Ų154.291%0.91385%0.854SS**  trans-142.7161.8134.1-126.6172.1-177.1178.20110.5
347A56.4Low58.4Low172 Ų172158.4 Ų158.4100%1.42186%0.863SS**  trans-76.20-175.900000112.8

Retrieved 347 of 347 residues in 151.6 ms (Link to these results)