A0A096MQQ2_PAPAN Loading...

Small ribosomal subunit protein uS17

AlphaFold DB (A0A1S3A9C9), UniProt , Accession A0A096MQQ2, Species PAPAN (Papio anubis, Olive baboon), Gene RPS11, Length 158 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
1M47.4Very low74Confident177 Ų177110.9 Ų110.987%0.87256%0.563SS**  0-21.70-78.3-134.7-179.600113.4D3 L33M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 2.86Å; M1-L33 HydrophobicContact CE-CD1 3.95Å; M1-L33 HydrophobicContact CE-CD2 4.35Å
2A45Very low75.3Confident85 Ų85110.7 Ų110.770%0.70256%0.556SS**G310 helixtrans-66.2-29.9177.200000114I4 Q5A2-I4 PolarHBondContact O-N 3.42Å; A2-I4 VanDerWaalsContact O-N 3.16Å; A2-Q5 PolarHBondContact O-N 2.81Å
3D59.2Low76.4Confident150 Ų150103.5 Ų103.580%0.80252%0.519SS*.G310 helixtrans-70.8-12.4-173.2-52.1-55.4000115.5M1M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 2.86Å
4I67.3Low77.2Confident52 Ų52103.3 Ų103.327%0.26753%0.529SS..G310 helixtrans-83.3-28.8-178.2-61.1161.2000110.8A2 T6 Q11 T54 I56A2-I4 PolarHBondContact O-N 3.42Å; A2-I4 VanDerWaalsContact O-N 3.16Å; I4-T6 PolarHBondContact O-N 3.2Å; I4-Q11 PolarHBondContact O-OE1 2.74Å; I4-Q11 VanDerWaalsContact O-OE1 3.1Å; I4-T54 HydrophobicContact CD1-CG2 4.3Å; I4-T54 WeakPolarHBondContact CG2-O 3.26Å; I4-I56 HydrophobicContact CG2-CD1 4.17Å; I4-I56 HydrophobicContact CG2-CG1 4.38Å
5Q79.2Confident77.9Confident67 Ų67101.6 Ų101.631%0.31353%0.525SS..  trans-89.583.7-171.8-177.36112.700110.2A2 E7 A9 Y10 Q11A2-Q5 PolarHBondContact O-N 2.81Å; Q5-E7 VanDerWaalsContact C-N 3.3Å; Q5-E7 PolarHBondContact NE2-O 3.15Å; Q5-E7 PolarHBondContact O-N 3.06Å; Q5-A9 PolarHBondContact NE2-O 3.22Å; Q5-Y10 VanDerWaalsContact NE2-CA 3.3Å; Q5-Q11 VanDerWaalsContact OE1-CB 3.31Å
6T80.4Confident78.5Confident88 Ų8897.1 Ų97.154%0.5450%0.502SS..  trans-81.7-9.3-176.363.10000114.1I4 Q11I4-T6 PolarHBondContact O-N 3.2Å; T6-Q11 PolarHBondContact OG1-NE2 3.49Å
7E82.4Confident79Confident96 Ų9699.4 Ų99.445%0.44951%0.507SS..SBendtrans-127.9164.7-172.5-68.7171.7-178.400110.5Q5 A9 Q11Q5-E7 VanDerWaalsContact C-N 3.3Å; Q5-E7 PolarHBondContact NE2-O 3.15Å; Q5-E7 PolarHBondContact O-N 3.06Å; E7-A9 VanDerWaalsContact C-N 3.31Å; E7-A9 PolarHBondContact O-N 2.87Å; E7-Q11 VanDerWaalsContact CD-NE2 3.26Å; E7-Q11 PolarHBondContact OE2-NE2 2.87Å; E7-Q11 VanDerWaalsContact OE2-NE2 3.11Å
8R86.9Confident79.3Confident261 Ų26198.4 Ų98.499%0.98550%0.501SS*.SBendtrans-66.9-32.5176.9-66.3-177.1178.1179.6-1.4112.7
9A88.2Confident79.5Confident68 Ų68100.1 Ų100.156%0.56251%0.511SS*.SBendtrans-83.6126.7-17900000111.1Q5 E7 Q11Q5-A9 PolarHBondContact NE2-O 3.22Å; E7-A9 VanDerWaalsContact C-N 3.31Å; E7-A9 PolarHBondContact O-N 2.87Å; A9-Q11 PolarHBondContact O-N 2.87Å; A9-Q11 VanDerWaalsContact O-N 3.13Å
10Y89Confident79.4Confident156 Ų156100.2 Ų100.261%0.61251%0.508SS*.PPolyproline II helixtrans-52.8116.8-178.6-177.3-108.2000112.4Q5 K12 Q18Q5-Y10 VanDerWaalsContact NE2-CA 3.3Å; Y10-K12 HydrophobicContact CD1-CB 4.28Å; Y10-K12 HydrophobicContact CD1-CD 4.22Å; Y10-K12 HydrophobicContact CD1-CG 4.43Å; Y10-K12 HydrophobicContact CE1-CB 3.87Å; Y10-K12 HydrophobicContact CE1-CD 4.07Å; Y10-K12 HydrophobicContact CE1-CG 4.37Å; Y10-Q18 VanDerWaalsContact CE1-OE1 3.3Å; Y10-Q18 PolarHBondContact OH-NE2 3.14Å; Y10-Q18 VanDerWaalsContact OH-NE2 3.16Å; Y10-Q18 PolarHBondContact OH-OE1 2.85Å; Y10-Q18 VanDerWaalsContact OH-OE1 3.14Å
11Q88.7Confident79.3Confident20 Ų20105.5 Ų105.59%0.09353%0.527CS..PPolyproline II helixtrans-86.9124-178.3-63.9179.8-12.900109.5I4 Q5 T6 E7 A9 I56I4-Q11 PolarHBondContact O-OE1 2.74Å; I4-Q11 VanDerWaalsContact O-OE1 3.1Å; Q5-Q11 VanDerWaalsContact OE1-CB 3.31Å; T6-Q11 PolarHBondContact OG1-NE2 3.49Å; E7-Q11 VanDerWaalsContact CD-NE2 3.26Å; E7-Q11 PolarHBondContact OE2-NE2 2.87Å; E7-Q11 VanDerWaalsContact OE2-NE2 3.11Å; A9-Q11 PolarHBondContact O-N 2.87Å; A9-Q11 VanDerWaalsContact O-N 3.13Å; Q11-I56 HydrophobicContact CB-CB 4.17Å; Q11-I56 HydrophobicContact CB-CD1 3.79Å; Q11-I56 HydrophobicContact CB-CG2 4.15Å; Q11-I56 WeakPolarHBondContact O-CD1 3.48Å
12K89.8Confident80.7Confident108 Ų108107.6 Ų107.647%0.4753%0.525SS..  trans-143.8157.4174.266.6-178.2-178.1-1780111.5Y10Y10-K12 HydrophobicContact CD1-CB 4.28Å; Y10-K12 HydrophobicContact CD1-CD 4.22Å; Y10-K12 HydrophobicContact CD1-CG 4.43Å; Y10-K12 HydrophobicContact CE1-CB 3.87Å; Y10-K12 HydrophobicContact CE1-CD 4.07Å; Y10-K12 HydrophobicContact CE1-CG 4.37Å
13Q89.8Confident81.9Confident17 Ų17107.6 Ų107.68%0.07952%0.516CS..  trans-76.4125.7168.4-70.8-170-55.700109.4T15 I16 Y36 T63Q13-T15 PolarHBondContact O-N 3.37Å; Q13-I16 HydrophobicContact CB-CB 4.23Å; Q13-I16 HydrophobicContact CB-CG1 4.29Å; Q13-I16 PolarHBondContact O-N 2.66Å; Q13-I16 VanDerWaalsContact O-N 3.15Å; Q13-Y36 PolarHBondContact NE2-O 2.93Å; Q13-T63 PolarHBondContact NE2-O 3.47Å
14P87.3Confident82.4Confident101 Ų101104.9 Ų104.966%0.65650%0.501SS*.THydrogen-bonded Turntrans-67.4-26.8-175.526.7-34.1000112.8I16P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.4Å
15T88.2Confident82.5Confident78 Ų78108.2 Ų108.248%0.47952%0.519SS..THydrogen-bonded Turntrans-78-10.5178.144.10000113.4Q13 Y36Q13-T15 PolarHBondContact O-N 3.37Å; T15-Y36 HydrophobicContact CG2-CD1 4.39Å; T15-Y36 HydrophobicContact CG2-CE1 4.39Å; T15-Y36 HydrophobicContact CG2-CG 4.46Å; T15-Y36 VanDerWaalsContact OG1-CB 3.27Å; T15-Y36 WeakPolarHBondContact OG1-CB 3.3Å; T15-Y36 WeakPolarHBondContact OG1-CD1 3.45Å
16I88.1Confident81.9Confident29 Ų29106 Ų10615%0.14951%0.514CS..  trans-113.9119-176.2-63.2-158.4000110.6Q13 P14 Q18 P34Q13-I16 HydrophobicContact CB-CB 4.23Å; Q13-I16 HydrophobicContact CB-CG1 4.29Å; Q13-I16 PolarHBondContact O-N 2.66Å; Q13-I16 VanDerWaalsContact O-N 3.15Å; P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.4Å; I16-Q18 PolarHBondContact O-N 3.18Å; I16-P34 HydrophobicContact CD1-CB 4.19Å; I16-P34 WeakPolarHBondContact CD1-O 3.4Å; I16-P34 HydrophobicContact CG2-CB 4.2Å; I16-P34 HydrophobicContact CG2-CG 3.88Å
17F87Confident81.3Confident136 Ų136111.8 Ų111.860%0.59654%0.535SS*.  trans-78.4117.7166.7-172.3-112.6000109.8N19 K20F17-N19 HydrophobicContact CE1-CB 4.01Å; F17-N19 WeakPolarHBondContact CE1-O 3.28Å; F17-N19 HydrophobicContact CE2-CB 4.31Å; F17-N19 HydrophobicContact CZ-CB 3.73Å; F17-K20 HydrophobicContact CD1-CG 3.96Å; F17-K20 WeakPolarHBondContact O-CE 3.4Å
18Q83.1Confident80.8Confident83 Ų83112.9 Ų112.939%0.38855%0.549SS..  trans-85.6-30.5-176.4-71.8168.2-40.800112.9Y10 I16 K20Y10-Q18 VanDerWaalsContact CE1-OE1 3.3Å; Y10-Q18 PolarHBondContact OH-NE2 3.14Å; Y10-Q18 VanDerWaalsContact OH-NE2 3.16Å; Y10-Q18 PolarHBondContact OH-OE1 2.85Å; Y10-Q18 VanDerWaalsContact OH-OE1 3.14Å; I16-Q18 PolarHBondContact O-N 3.18Å; Q18-K20 PolarHBondContact O-N 2.77Å
19N83.6Confident79.9Confident129 Ų129102.8 Ų102.869%0.6953%0.526SS*.  trans-8547.8-174.6-63.9-0.5000112.1F17F17-N19 HydrophobicContact CE1-CB 4.01Å; F17-N19 WeakPolarHBondContact CE1-O 3.28Å; F17-N19 HydrophobicContact CE2-CB 4.31Å; F17-N19 HydrophobicContact CZ-CB 3.73Å
20K78.4Confident78.9Confident103 Ų103107.1 Ų107.145%0.44853%0.532SS..  trans-73.6132.4178.3-67.6-175.9-179.2-173.90109.7F17 Q18 R22F17-K20 HydrophobicContact CD1-CG 3.96Å; F17-K20 WeakPolarHBondContact O-CE 3.4Å; Q18-K20 PolarHBondContact O-N 2.77Å; K20-R22 VanDerWaalsContact C-N 3.32Å
21K76.6Confident77.9Confident212 Ų212106.1 Ų106.192%0.92253%0.533SS*.SBendtrans-74.5-21.2177.3-64.1-173.4178.3-176.50113.6
22R76.9Confident77Confident220 Ų220112.5 Ų112.583%0.8356%0.561SS**SBendtrans-106.2125.7176.3-71.3-175.9173.4-177.1-1.9109.4K20K20-R22 VanDerWaalsContact C-N 3.32Å
23V70.8Confident76.3Confident85 Ų85112.8 Ų112.852%0.51557%0.567SS.*  trans-72.4126.1174.5175.30000108.9L25 E31V23-L25 PolarHBondContact O-N 2.87Å; V23-E31 HydrophobicContact CG1-CB 4.39Å; V23-E31 HydrophobicContact CG1-CG 3.53Å; V23-E31 WeakPolarHBondContact CG1-OE1 3.35Å; V23-E31 WeakPolarHBondContact CG2-OE1 3.45Å
24L68.9Low76Confident93 Ų93114.5 Ų114.549%0.48758%0.579SS.*  trans-86.3109.7172.6-66.7172.5000108.5K32L24-K32 PolarHBondContact O-N 2.92Å; L24-K32 VanDerWaalsContact O-N 3.12Å
25L69.6Low76.1Confident122 Ų122112 Ų11264%0.63956%0.557SS**BIsolated β-bridgetrans-80.6132.5172.5-70.2153.8000109V23 G29V23-L25 PolarHBondContact O-N 2.87Å; L25-G29 WeakPolarHBondContact CD2-O 3.47Å
26G67.1Low76.3Confident21 Ų21111.8 Ų111.822%0.21655%0.548CS..  trans-76.7175.3169.100000112T28 G29 K30G26-T28 PolarHBondContact O-N 2.93Å; G26-G29 PolarHBondContact O-N 2.91Å; G26-K30 PolarHBondContact N-O 3.33Å
27E67.7Low76.6Confident210 Ų210116 Ų11698%0.98156%0.562SS**THydrogen-bonded Turntrans-55.6-27.2178.5-66.3173.716600113.3
28T72Confident76.9Confident118 Ų118111.5 Ų111.572%0.72454%0.543SS*.THydrogen-bonded Turntrans-91.59.517854.30000113.9G26 K30G26-T28 PolarHBondContact O-N 2.93Å; T28-K30 PolarHBondContact O-N 2.88Å; T28-K30 VanDerWaalsContact O-N 3.16Å
29G66.3Low77.4Confident50 Ų50112.9 Ų112.952%0.51555%0.553SS.*SBendtrans70.34.2-178.400000114.8L25 G26L25-G29 WeakPolarHBondContact CD2-O 3.47Å; G26-G29 PolarHBondContact O-N 2.91Å
30K68.8Low77.8Confident158 Ų158108.2 Ų108.269%0.68753%0.527SS*.SBendtrans-86.5146.6173.1-67.2-176.7179.9179.30110.7G26 T28 K32G26-K30 PolarHBondContact N-O 3.33Å; T28-K30 PolarHBondContact O-N 2.88Å; T28-K30 VanDerWaalsContact O-N 3.16Å; K30-K32 PolarHBondContact O-N 2.86Å; K30-K32 VanDerWaalsContact O-N 3.09Å
31E67.8Low78.5Confident135 Ų135104.7 Ų104.763%0.63152%0.52SS*.BIsolated β-bridgetrans-57.9116.1172.5-65.7-161.114600109.9V23V23-E31 HydrophobicContact CG1-CB 4.39Å; V23-E31 HydrophobicContact CG1-CG 3.53Å; V23-E31 WeakPolarHBondContact CG1-OE1 3.35Å; V23-E31 WeakPolarHBondContact CG2-OE1 3.45Å
32K69.8Low79.2Confident154 Ų15499.7 Ų99.767%0.6750%0.503SS*.  trans-92.8110175.8-169.2173.8-175.8173.60108L24 K30 P34L24-K32 PolarHBondContact O-N 2.92Å; L24-K32 VanDerWaalsContact O-N 3.12Å; K30-K32 PolarHBondContact O-N 2.86Å; K30-K32 VanDerWaalsContact O-N 3.09Å; K32-P34 WeakPolarHBondContact O-CD 3.33Å; K32-P34 VanDerWaalsContact O-N 3.12Å
33L74.8Confident79.9Confident114 Ų11493.1 Ų93.160%0.59750%0.504SS*.  trans-58.5119.5172-69.8174.2000108.6M1 R35M1-L33 HydrophobicContact CE-CD1 3.95Å; M1-L33 HydrophobicContact CE-CD2 4.35Å; L33-R35 PolarHBondContact O-N 2.85Å
34P82.9Confident81Confident53 Ų5390.6 Ų90.634%0.34449%0.486SS..  trans-64.6126179.326.4-32.7000108.2I16 K32I16-P34 HydrophobicContact CD1-CB 4.19Å; I16-P34 WeakPolarHBondContact CD1-O 3.4Å; I16-P34 HydrophobicContact CG2-CB 4.2Å; I16-P34 HydrophobicContact CG2-CG 3.88Å; K32-P34 WeakPolarHBondContact O-CD 3.33Å; K32-P34 VanDerWaalsContact O-N 3.12Å
35R89.3Confident82.2Confident50 Ų5095.2 Ų95.219%0.18950%0.502CS..  trans-125133.8177.3-176.3172.3-18085.4-9.7110.7L33 A50 I51 G53 Y55L33-R35 PolarHBondContact O-N 2.85Å; R35-A50 PolarHBondContact NE-O 2.8Å; R35-I51 WeakPolarHBondContact CD-O 3.21Å; R35-G53 WeakPolarHBondContact CD-O 3.34Å; R35-G53 PolarHBondContact NE-O 3.03Å; R35-G53 PolarHBondContact NH1-O 2.77Å; R35-G53 PolarHBondContact NH2-O 2.9Å; R35-Y55 PolarHBondContact NH1-O 2.76Å; R35-Y55 VanDerWaalsContact NH2-CE1 3.29Å; R35-Y55 PolarHBondContact NH2-O 2.96Å
36Y92.5Very high83.4Confident73 Ų7391.3 Ų91.329%0.28648%0.483SS..  trans-92.3123.5177.6174.2-100.6000108.1Q13 T15Q13-Y36 PolarHBondContact NE2-O 2.93Å; T15-Y36 HydrophobicContact CG2-CD1 4.39Å; T15-Y36 HydrophobicContact CG2-CE1 4.39Å; T15-Y36 HydrophobicContact CG2-CG 4.46Å; T15-Y36 VanDerWaalsContact OG1-CB 3.27Å; T15-Y36 WeakPolarHBondContact OG1-CB 3.3Å; T15-Y36 WeakPolarHBondContact OG1-CD1 3.45Å
37Y93.9Very high84.7Confident116 Ų11691 Ų9146%0.45548%0.478SS..  trans-138.2157.1168.666.3-86.3000107.6I51 F62Y37-I51 HydrophobicContact CD1-CG2 4.34Å; Y37-I51 HydrophobicContact CD2-CG1 3.97Å; Y37-I51 HydrophobicContact CE1-CG2 4.07Å; Y37-I51 HydrophobicContact CE2-CG1 4.16Å; Y37-I51 HydrophobicContact CG-CG1 4.17Å; Y37-F62 CarbonylContact C-O 3.58Å; Y37-F62 VanDerWaalsContact CA-O 3.3Å; Y37-F62 WeakPolarHBondContact CA-O 3.34Å
38K93.6Very high85.9Confident43 Ų4388.3 Ų88.319%0.18746%0.463CS..  trans-137.1153.5175.868176.9179.9-179.20110.9T46 P61 F62 G64 V66K38-T46 WeakPolarHBondContact O-CG2 3.36Å; K38-P61 WeakPolarHBondContact CE-O 3.39Å; K38-F62 WeakPolarHBondContact CG-O 3.48Å; K38-F62 PolarHBondContact N-O 3.05Å; K38-G64 WeakPolarHBondContact CE-O 3.45Å; K38-G64 PolarHBondContact NZ-O 3.42Å; K38-V66 WeakPolarHBondContact CE-O 3.39Å; K38-V66 PolarHBondContact NZ-O 2.87Å
39N94.4Very high86.8Confident111 Ų11186.7 Ų86.759%0.59445%0.447SS*.  trans-80.1131.4164.7-167.7-18.2000109.1G41 T46N39-G41 PolarHBondContact OD1-N 3.26Å; N39-T46 HydrophobicContact CB-CG2 4.19Å
40I92.9Very high88Confident31 Ų3184.3 Ų84.316%0.15942%0.422CS..  trans-80-23.7178.3-59.4168.5000110.8P61 F62 I68 L143I40-P61 HydrophobicContact CD1-CB 3.54Å; I40-P61 HydrophobicContact CD1-CG 3.81Å; I40-P61 HydrophobicContact CG1-CB 4.3Å; I40-P61 WeakPolarHBondContact CG1-O 3.38Å; I40-F62 HydrophobicContact CD1-CD1 3.41Å; I40-F62 VanDerWaalsContact CD1-CD1 3.41Å; I40-F62 HydrophobicContact CD1-CD2 4.32Å; I40-F62 HydrophobicContact CD1-CE1 3.13Å; I40-F62 HydrophobicContact CD1-CE2 4.06Å; I40-F62 HydrophobicContact CD1-CG 4.01Å; I40-F62 HydrophobicContact CD1-CZ 3.48Å; I40-F62 VanDerWaalsContact CD1-CZ 3.48Å; I40-F62 HydrophobicContact CG1-CD1 3.79Å; I40-F62 HydrophobicContact CG1-CE1 3.85Å; I40-I68 HydrophobicContact CD1-CG1 4.48Å; I40-I68 HydrophobicContact CG2-CB 3.7Å; I40-I68 HydrophobicContact CG2-CG1 3.67Å; I40-I68 HydrophobicContact CG2-CG2 4.45Å; I40-L143 HydrophobicContact CD1-CD2 3.92Å
41G92.3Very high89.1Confident29 Ų2979.6 Ų79.630%0.29940%0.404SS..  trans80.8-154.1-170.300000112.3N39 G43 F44N39-G41 PolarHBondContact OD1-N 3.26Å; G41-G43 PolarHBondContact O-N 2.85Å; G41-G43 VanDerWaalsContact O-N 3.14Å; G41-F44 PolarHBondContact O-N 2.86Å
42L91.3Very high90.1Very high108 Ų10880.5 Ų80.557%0.56541%0.408SS*.THydrogen-bonded Turntrans58.325.5177.3-52.8169.6000114.1F44 I68 I72L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 HydrophobicContact CB-CD2 3.99Å; L42-F44 HydrophobicContact CB-CE2 4.16Å; L42-F44 WeakPolarHBondContact O-CD2 3.16Å; L42-F44 PolarHBondContact O-N 3.02Å; L42-I68 HydrophobicContact CD1-CG2 4.17Å; L42-I72 HydrophobicContact CB-CD1 4.45Å; L42-I72 HydrophobicContact CD1-CD1 4.15Å
43G92.2Very high91Very high81 Ų8173.8 Ų73.884%0.83538%0.383SS*.THydrogen-bonded Turntrans76.46.9179.800000115.3G41G41-G43 PolarHBondContact O-N 2.85Å; G41-G43 VanDerWaalsContact O-N 3.14Å
44F93.9Very high91.6Very high33 Ų3372.1 Ų72.115%0.14538%0.377CS..PPolyproline II helixtrans-86.9136.5176.2-66.4-79.1000111.8G41 L42 I72 T127 L143 K144G41-F44 PolarHBondContact O-N 2.86Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 HydrophobicContact CB-CD2 3.99Å; L42-F44 HydrophobicContact CB-CE2 4.16Å; L42-F44 WeakPolarHBondContact O-CD2 3.16Å; L42-F44 PolarHBondContact O-N 3.02Å; F44-I72 HydrophobicContact CE2-CD1 3.91Å; F44-I72 HydrophobicContact CZ-CD1 4.44Å; F44-I72 HydrophobicContact CZ-CG2 4.15Å; F44-T127 HydrophobicContact CE1-CG2 3.9Å; F44-T127 HydrophobicContact CZ-CG2 3.8Å; F44-L143 HydrophobicContact CD1-CB 3.94Å; F44-L143 HydrophobicContact CD2-CD1 3.89Å; F44-L143 HydrophobicContact CE1-CB 3.96Å; F44-L143 HydrophobicContact CE1-CD1 4.29Å; F44-L143 HydrophobicContact CE2-CD1 3.52Å; F44-L143 HydrophobicContact CG-CB 4.23Å; F44-L143 HydrophobicContact CG-CD1 4.42Å; F44-L143 HydrophobicContact CZ-CB 4.26Å; F44-L143 HydrophobicContact CZ-CD1 3.74Å; F44-K144 HydrophobicContact CD1-CB 4.11Å; F44-K144 HydrophobicContact CE1-CB 4.07Å
45K93.7Very high92Very high189 Ų18970.4 Ų70.482%0.82236%0.364SS*.PPolyproline II helixtrans-81.5140.5172.1-64.1-173.2179-175.70110
46T94.4Very high92.1Very high40 Ų4069.2 Ų69.225%0.24536%0.361CS..PPolyproline II helixtrans-70.2125.9171.349.60000109.8K38 N39 F62K38-T46 WeakPolarHBondContact O-CG2 3.36Å; N39-T46 HydrophobicContact CB-CG2 4.19Å; T46-F62 HydrophobicContact CG2-CD1 4.01Å; T46-F62 HydrophobicContact CG2-CE1 4.38Å
47P93.9Very high92.1Very high16 Ų1666.3 Ų66.310%0.10435%0.351CS..PPolyproline II helixtrans-59.4144.5176.7-23.833.2000111.9E49 A50 F62 C116 F117P47-E49 VanDerWaalsContact C-N 3.26Å; P47-E49 PolarHBondContact O-N 2.96Å; P47-A50 HydrophobicContact CB-CB 4.26Å; P47-A50 VanDerWaalsContact O-CB 3.32Å; P47-A50 WeakPolarHBondContact O-CB 3.5Å; P47-A50 PolarHBondContact O-N 2.87Å; P47-F62 VanDerWaalsContact CD-CE1 3.41Å; P47-F62 HydrophobicContact CG-CD2 4.16Å; P47-F62 HydrophobicContact CG-CE1 4.4Å; P47-F62 HydrophobicContact CG-CE2 3.75Å; P47-F62 HydrophobicContact CG-CZ 3.89Å; P47-C116 HydrophobicContact CB-CB 4.14Å; P47-C116 HydrophobicContact CG-CB 4.35Å; P47-F117 HydrophobicContact CB-CE1 4.39Å; P47-F117 HydrophobicContact CG-CE1 3.62Å; P47-F117 HydrophobicContact CG-CE2 4.45Å; P47-F117 HydrophobicContact CG-CZ 3.57Å
48K92.2Very high92.1Very high152 Ų15268 Ų6866%0.66136%0.361SS*.Hα-helixtrans-61.3-39.7177.5-71.3-176.2175.1-174.40111A50 I51 E52K48-A50 PolarHBondContact O-N 2.98Å; K48-I51 WeakPolarHBondContact O-CA 3.44Å; K48-I51 WeakPolarHBondContact O-CB 3.44Å; K48-I51 PolarHBondContact O-N 3.34Å; K48-E52 PolarHBondContact O-N 3.44Å
49E91.4Very high92.2Very high85 Ų8570.2 Ų70.240%0.39737%0.37SS..Hα-helixtrans-62.4-25.6177-62.771.4-157.700112.1P47 G53 Y55 C116P47-E49 VanDerWaalsContact C-N 3.26Å; P47-E49 PolarHBondContact O-N 2.96Å; E49-G53 WeakPolarHBondContact O-CA 3.21Å; E49-G53 PolarHBondContact O-N 3.49Å; E49-Y55 WeakPolarHBondContact O-CE1 3.29Å; E49-C116 HydrophobicContact CB-CB 4.16Å; E49-C116 WeakPolarHBondContact CB-O 3.35Å
50A91.9Very high92.2Very high0 Ų065 Ų650%034%0.342CS..Hα-helixtrans-73.4-31.817400000111.8R35 P47 K48 F62 T63 C116R35-A50 PolarHBondContact NE-O 2.8Å; P47-A50 HydrophobicContact CB-CB 4.26Å; P47-A50 VanDerWaalsContact O-CB 3.32Å; P47-A50 WeakPolarHBondContact O-CB 3.5Å; P47-A50 PolarHBondContact O-N 2.87Å; K48-A50 PolarHBondContact O-N 2.98Å; A50-F62 HydrophobicContact CB-CB 3.86Å; A50-F62 HydrophobicContact CB-CG 4.3Å; A50-T63 HydrophobicContact CB-CG2 4.1Å; A50-T63 WeakPolarHBondContact O-CG2 3.28Å; A50-C116 HydrophobicContact CB-CB 4.1Å
51I91.9Very high92.4Very high58 Ų5863.5 Ų63.530%0.29734%0.335SS..Hα-helixtrans-83-44.4-178.4-59.3169.3000111.1R35 Y37 K48R35-I51 WeakPolarHBondContact CD-O 3.21Å; Y37-I51 HydrophobicContact CD1-CG2 4.34Å; Y37-I51 HydrophobicContact CD2-CG1 3.97Å; Y37-I51 HydrophobicContact CE1-CG2 4.07Å; Y37-I51 HydrophobicContact CE2-CG1 4.16Å; Y37-I51 HydrophobicContact CG-CG1 4.17Å; K48-I51 WeakPolarHBondContact O-CA 3.44Å; K48-I51 WeakPolarHBondContact O-CB 3.44Å; K48-I51 PolarHBondContact O-N 3.34Å
52E89Confident92.5Very high154 Ų15462.2 Ų62.272%0.7232%0.321SS*.Hα-helixtrans-103-19.5-171.9-65.6170.2-168.400113K48K48-E52 PolarHBondContact O-N 3.44Å
53G87.8Confident92.6Very high14 Ų1457.2 Ų57.214%0.14430%0.295CS..  trans-69.3160.4-175.600000113.4R35 E49R35-G53 WeakPolarHBondContact CD-O 3.34Å; R35-G53 PolarHBondContact NE-O 3.03Å; R35-G53 PolarHBondContact NH1-O 2.77Å; R35-G53 PolarHBondContact NH2-O 2.9Å; E49-G53 WeakPolarHBondContact O-CA 3.21Å; E49-G53 PolarHBondContact O-N 3.49Å
54T88.4Confident92.6Very high78 Ų7853.6 Ų53.648%0.47926%0.258SS..  trans-101.7-3.4-177.251.90000113.9I4I4-T54 HydrophobicContact CD1-CG2 4.3Å; I4-T54 WeakPolarHBondContact CG2-O 3.26Å
55Y90.8Very high92.6Very high17 Ų1757.5 Ų57.57%0.06728%0.28CS..  trans-66.6150.3-176.475.1-90.3000112.5R35 E49 D57 C60 T63 P115 C116R35-Y55 PolarHBondContact NH1-O 2.76Å; R35-Y55 VanDerWaalsContact NH2-CE1 3.29Å; R35-Y55 PolarHBondContact NH2-O 2.96Å; E49-Y55 WeakPolarHBondContact O-CE1 3.29Å; Y55-D57 HydrophobicContact CD2-CB 3.88Å; Y55-D57 HydrophobicContact CE2-CB 3.92Å; Y55-C60 HydrophobicContact CE2-CB 4.5Å; Y55-C60 PolarHBondContact OH-SG 3.01Å; Y55-T63 PolarHBondContact OH-OG1 2.84Å; Y55-P115 HydrophobicContact CD1-CB 4.19Å; Y55-P115 HydrophobicContact CD2-CB 3.77Å; Y55-P115 HydrophobicContact CD2-CG 3.75Å; Y55-P115 HydrophobicContact CE2-CB 4.31Å; Y55-P115 HydrophobicContact CE2-CG 4.31Å; Y55-P115 HydrophobicContact CG-CB 3.72Å; Y55-P115 HydrophobicContact CG-CG 4.15Å; Y55-C116 HydrophobicContact CE1-CB 3.95Å; Y55-C116 WeakPolarHBondContact OH-CB 3.49Å
56I91.9Very high92.6Very high25 Ų2548.6 Ų48.613%0.12824%0.242CC..  trans-117.8118.1176.8-58.3174.9000109I4 Q11 R84I4-I56 HydrophobicContact CG2-CD1 4.17Å; I4-I56 HydrophobicContact CG2-CG1 4.38Å; Q11-I56 HydrophobicContact CB-CB 4.17Å; Q11-I56 HydrophobicContact CB-CD1 3.79Å; Q11-I56 HydrophobicContact CB-CG2 4.15Å; Q11-I56 WeakPolarHBondContact O-CD1 3.48Å; I56-R84 PolarHBondContact O-NH1 3.27Å
57D92.6Very high92.7Very high12 Ų1249.6 Ų49.66%0.06425%0.25CS..  trans-145.9106.4-178.5179.717000110.8Y55 K59 C60 H112 S114 P115Y55-D57 HydrophobicContact CD2-CB 3.88Å; Y55-D57 HydrophobicContact CE2-CB 3.92Å; D57-K59 PolarHBondContact O-N 3.43Å; D57-K59 WeakPolarHBondContact OD1-CB 3.5Å; D57-K59 PolarHBondContact OD1-N 3.1Å; D57-C60 HydrophobicContact CB-CB 4Å; D57-C60 VanDerWaalsContact O-CB 3.32Å; D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.38Å; D57-C60 PolarHBondContact OD2-N 2.89Å; D57-H112 IonicContact OD1-CE1 3.71Å; D57-H112 IonicContact OD1-NE2 2.98Å; D57-H112 PolarHBondContact OD1-NE2 3.04Å; D57-H112 IonicContact OD2-CD2 3.49Å; D57-H112 IonicContact OD2-CE1 3.63Å; D57-H112 IonicContact OD2-NE2 3.34Å; D57-H112 PolarHBondContact OD2-NE2 3.28Å; D57-S114 PolarHBondContact OD2-OG 2.81Å; D57-P115 WeakPolarHBondContact OD2-CD 3.14Å
58K92.9Very high92.8Very high153 Ų15349.9 Ų49.967%0.66525%0.25SS*.THydrogen-bonded Turntrans-66.8-22.2179.3-61.1178.7-175.9175.10112.5
59K95.4Very high93Very high89 Ų8948.4 Ų48.439%0.38724%0.241SC..THydrogen-bonded Turntrans-91.7-6.5-178.5-67-179.9-175.1179.80112.7D57 V66 H112 L134 N141D57-K59 PolarHBondContact O-N 3.43Å; D57-K59 WeakPolarHBondContact OD1-CB 3.5Å; D57-K59 PolarHBondContact OD1-N 3.1Å; K59-V66 WeakPolarHBondContact O-CG2 3.4Å; K59-H112 WeakPolarHBondContact CB-NE2 3.47Å; K59-H112 PolarHBondContact O-CD2 2.9Å; K59-L134 HydrophobicContact CB-CD1 4.05Å; K59-L134 HydrophobicContact CD-CB 4.33Å; K59-L134 HydrophobicContact CD-CD1 4.4Å; K59-L134 HydrophobicContact CG-CD1 4.29Å; K59-L134 HydrophobicContact CG-CD2 4.41Å; K59-N141 PolarHBondContact O-ND2 3.16Å
60C95.3Very high93.1Very high0 Ų047.5 Ų47.50%025%0.254CS..  trans-62.8136.6176.9-177.20000111Y55 D57 F62 T63 G64 S114Y55-C60 HydrophobicContact CE2-CB 4.5Å; Y55-C60 PolarHBondContact OH-SG 3.01Å; D57-C60 HydrophobicContact CB-CB 4Å; D57-C60 VanDerWaalsContact O-CB 3.32Å; D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.38Å; D57-C60 PolarHBondContact OD2-N 2.89Å; C60-F62 VanDerWaalsContact C-N 3.3Å; C60-F62 PolarHBondContact SG-N 2.87Å; C60-T63 VanDerWaalsContact CB-OG1 3.25Å; C60-T63 WeakPolarHBondContact CB-OG1 3.47Å; C60-T63 PolarHBondContact SG-N 3.39Å; C60-T63 PolarHBondContact SG-OG1 2.89Å; C60-G64 VanDerWaalsContact O-CA 3.29Å; C60-G64 WeakPolarHBondContact O-CA 3.38Å; C60-G64 PolarHBondContact O-N 2.82Å; C60-G64 VanDerWaalsContact O-N 3.13Å; C60-S114 WeakPolarHBondContact CB-OG 3.2Å; C60-S114 PolarHBondContact SG-OG 2.89Å
61P95.9Very high93.4Very high1 Ų155.8 Ų55.81%0.00629%0.286CS..THydrogen-bonded Turntrans-76.2-18.2175.335.2-36.2000112.9K38 I40 I68 N141 L143K38-P61 WeakPolarHBondContact CE-O 3.39Å; I40-P61 HydrophobicContact CD1-CB 3.54Å; I40-P61 HydrophobicContact CD1-CG 3.81Å; I40-P61 HydrophobicContact CG1-CB 4.3Å; I40-P61 WeakPolarHBondContact CG1-O 3.38Å; P61-I68 HydrophobicContact CB-CD1 3.92Å; P61-I68 HydrophobicContact CB-CG1 3.91Å; P61-N141 HydrophobicContact CB-CB 4.49Å; P61-N141 WeakPolarHBondContact CD-ND2 3.04Å; P61-N141 HydrophobicContact CG-CB 4.22Å; P61-L143 HydrophobicContact CG-CD2 4.33Å
62F95.5Very high93.6Very high1 Ų156.6 Ų56.60%0.00429%0.289CS..THydrogen-bonded Turntrans-95.7-41.5179.3-55-76.5000113.6Y37 K38 I40 T46 P47 A50 C60 F117Y37-F62 CarbonylContact C-O 3.58Å; Y37-F62 VanDerWaalsContact CA-O 3.3Å; Y37-F62 WeakPolarHBondContact CA-O 3.34Å; K38-F62 WeakPolarHBondContact CG-O 3.48Å; K38-F62 PolarHBondContact N-O 3.05Å; I40-F62 HydrophobicContact CD1-CD1 3.41Å; I40-F62 VanDerWaalsContact CD1-CD1 3.41Å; I40-F62 HydrophobicContact CD1-CD2 4.32Å; I40-F62 HydrophobicContact CD1-CE1 3.13Å; I40-F62 HydrophobicContact CD1-CE2 4.06Å; I40-F62 HydrophobicContact CD1-CG 4.01Å; I40-F62 HydrophobicContact CD1-CZ 3.48Å; I40-F62 VanDerWaalsContact CD1-CZ 3.48Å; I40-F62 HydrophobicContact CG1-CD1 3.79Å; I40-F62 HydrophobicContact CG1-CE1 3.85Å; T46-F62 HydrophobicContact CG2-CD1 4.01Å; T46-F62 HydrophobicContact CG2-CE1 4.38Å; P47-F62 VanDerWaalsContact CD-CE1 3.41Å; P47-F62 HydrophobicContact CG-CD2 4.16Å; P47-F62 HydrophobicContact CG-CE1 4.4Å; P47-F62 HydrophobicContact CG-CE2 3.75Å; P47-F62 HydrophobicContact CG-CZ 3.89Å; A50-F62 HydrophobicContact CB-CB 3.86Å; A50-F62 HydrophobicContact CB-CG 4.3Å; C60-F62 VanDerWaalsContact C-N 3.3Å; C60-F62 PolarHBondContact SG-N 2.87Å; F62-F117 AromaticContact CE2-CE2 3.82Å; F62-F117 HydrophobicContact CE2-CE2 3.82Å; F62-F117 AromaticContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CZ-CZ 4.19Å
63T94Very high93.9Very high4 Ų450.7 Ų50.73%0.02526%0.263CS..THydrogen-bonded Turntrans-110.8-2.8-173.159.50000113.3Q13 A50 Y55 C60Q13-T63 PolarHBondContact NE2-O 3.47Å; A50-T63 HydrophobicContact CB-CG2 4.1Å; A50-T63 WeakPolarHBondContact O-CG2 3.28Å; Y55-T63 PolarHBondContact OH-OG1 2.84Å; C60-T63 VanDerWaalsContact CB-OG1 3.25Å; C60-T63 WeakPolarHBondContact CB-OG1 3.47Å; C60-T63 PolarHBondContact SG-N 3.39Å; C60-T63 PolarHBondContact SG-OG1 2.89Å
64G91.8Very high94.2Very high5 Ų551.8 Ų51.85%0.05227%0.268CS..SBendtrans-113.3176.8176.900000113.2K38 C60 V66K38-G64 WeakPolarHBondContact CE-O 3.45Å; K38-G64 PolarHBondContact NZ-O 3.42Å; C60-G64 VanDerWaalsContact O-CA 3.29Å; C60-G64 WeakPolarHBondContact O-CA 3.38Å; C60-G64 PolarHBondContact O-N 2.82Å; C60-G64 VanDerWaalsContact O-N 3.13Å; G64-V66 PolarHBondContact O-N 3.38Å
65N92.9Very high94.5Very high115 Ų11548.1 Ų48.162%0.61525%0.246SC*.SBendtrans-9150.3174.8-167.115.9000111.6R132N65-R132 PolarHBondContact O-NH2 2.88Å; N65-R132 VanDerWaalsContact O-NH2 3.13Å
66V95.1Very high94.6Very high2 Ų248.7 Ų48.71%0.01225%0.251CS..  trans-107.5124.1173.7179.40000108.7K38 K59 G64 C131 L134K38-V66 WeakPolarHBondContact CE-O 3.39Å; K38-V66 PolarHBondContact NZ-O 2.87Å; K59-V66 WeakPolarHBondContact O-CG2 3.4Å; G64-V66 PolarHBondContact O-N 3.38Å; V66-C131 HydrophobicContact CG1-CB 3.73Å; V66-L134 HydrophobicContact CG1-CD2 4.48Å; V66-L134 HydrophobicContact CG2-CD2 4.02Å
67S95.3Very high94.7Very high61 Ų6147.6 Ų47.643%0.42725%0.245SC..  trans-92.9143172.255.20000110.5
68I97.1Very high94.7Very high21 Ų2149.2 Ų49.211%0.10826%0.256CS..EExtended strand (participates in β ladder)trans-101.5130.3174.3-59-63.9000107.4I40 L42 P61 E130 C131 N141 L143I40-I68 HydrophobicContact CD1-CG1 4.48Å; I40-I68 HydrophobicContact CG2-CB 3.7Å; I40-I68 HydrophobicContact CG2-CG1 3.67Å; I40-I68 HydrophobicContact CG2-CG2 4.45Å; L42-I68 HydrophobicContact CD1-CG2 4.17Å; P61-I68 HydrophobicContact CB-CD1 3.92Å; P61-I68 HydrophobicContact CB-CG1 3.91Å; I68-E130 WeakPolarHBondContact CA-O 3.41Å; I68-C131 HydrophobicContact CD1-CB 4Å; I68-N141 HydrophobicContact CD1-CB 3.94Å; I68-L143 HydrophobicContact CD1-CD2 3.91Å; I68-L143 HydrophobicContact CG1-CD2 3.77Å; I68-L143 HydrophobicContact CG2-CD1 4.11Å; I68-L143 HydrophobicContact CG2-CD2 4.35Å
69R95.1Very high94.8Very high122 Ų12248 Ų4846%0.4625%0.251SS..EExtended strand (participates in β ladder)trans-154.9156.5-176.664.8-177.1-176-81.62110.4E130R69-E130 PolarHBondContact N-O 2.8Å; R69-E130 CarbonylContact O-C 3.57Å; R69-E130 WeakPolarHBondContact O-CB 3.35Å; R69-E130 WeakPolarHBondContact O-CG 3.44Å; R69-E130 VanDerWaalsContact O-O 3.05Å
70G95.3Very high94.7Very high66 Ų6647.7 Ų47.768%0.6825%0.251SS*.EExtended strand (participates in β ladder)trans75.5-127.3175.800000111.9
71R96.5Very high94.6Very high174 Ų17457.1 Ų57.166%0.65729%0.292SS*.EExtended strand (participates in β ladder)trans-75.9129.7-166.3-62.4174.1178.8175.90.1112.1L73 E130 F140R71-L73 HydrophobicContact CB-CD2 4.22Å; R71-L73 HydrophobicContact CB-CG 4.3Å; R71-E130 HydrophobicContact CB-CB 4.34Å; R71-E130 WeakPolarHBondContact CB-OE2 3.49Å; R71-E130 WeakPolarHBondContact CG-OE2 3.32Å; R71-E130 PolarHBondContact N-OE2 2.89Å; R71-E130 WeakPolarHBondContact O-CB 3.09Å; R71-E130 PolarHBondContact O-N 2.97Å; R71-F140 HydrophobicContact CB-CE1 4.46Å
72I96.8Very high94.6Very high74 Ų7462 Ų6238%0.37932%0.317SS..EExtended strand (participates in β ladder)trans-105.9128.5164.3-63.8163.5000107.9L42 F44 T127 V128L42-I72 HydrophobicContact CB-CD1 4.45Å; L42-I72 HydrophobicContact CD1-CD1 4.15Å; F44-I72 HydrophobicContact CE2-CD1 3.91Å; F44-I72 HydrophobicContact CZ-CD1 4.44Å; F44-I72 HydrophobicContact CZ-CG2 4.15Å; I72-T127 HydrophobicContact CG2-CG2 3.53Å; I72-V128 CarbonylContact C-O 3.57Å; I72-V128 WeakPolarHBondContact CA-O 3.26Å
73L95.7Very high94.4Very high31 Ų3168.6 Ų68.616%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-132.3152.8-172.6-55.5178.7000110R71 R90 M109 T127 V128 F140R71-L73 HydrophobicContact CB-CD2 4.22Å; R71-L73 HydrophobicContact CB-CG 4.3Å; L73-R90 VanDerWaalsContact CB-NH1 3.34Å; L73-R90 VanDerWaalsContact CG-NH1 3.35Å; L73-M109 HydrophobicContact CD1-CE 4.01Å; L73-M109 HydrophobicContact CD1-SD 4.13Å; L73-T127 CarbonylContact O-C 3.5Å; L73-T127 WeakPolarHBondContact O-CA 3.44Å; L73-V128 HydrophobicContact CB-CG2 3.9Å; L73-V128 PolarHBondContact N-O 2.57Å; L73-V128 WeakPolarHBondContact O-CG2 3.48Å; L73-V128 PolarHBondContact O-N 2.96Å; L73-F140 HydrophobicContact CD1-CD1 4.47Å; L73-F140 HydrophobicContact CD1-CE1 3.63Å; L73-F140 HydrophobicContact CD1-CZ 3.82Å; L73-F140 HydrophobicContact CG-CE1 4.23Å
74S94.6Very high94.4Very high37 Ų3771.7 Ų71.726%0.25936%0.359SS..EExtended strand (participates in β ladder)trans-116.2142.9172.1-610000110.1R90 V126S74-R90 WeakPolarHBondContact O-CD 3.12Å; S74-R90 WeakPolarHBondContact O-CG 3.5Å; S74-R90 PolarHBondContact O-NE 3.29Å; S74-V126 WeakPolarHBondContact CA-O 3.47Å
75G93.7Very high94.6Very high0 Ų072.3 Ų72.30%036%0.361CS..EExtended strand (participates in β ladder)trans-159.8166.6178.800000112.4V126G75-V126 PolarHBondContact N-O 3.02Å; G75-V126 PolarHBondContact O-N 2.91Å
76V93.7Very high94.8Very high30 Ų3066.9 Ų66.918%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-93.6136.5180179.30000110T78 I88 R89 D124 I125 F158V76-T78 PolarHBondContact O-N 3.28Å; V76-I88 CarbonylContact O-C 3.59Å; V76-I88 VanDerWaalsContact O-CA 3.26Å; V76-I88 WeakPolarHBondContact O-CA 2.88Å; V76-R89 PolarHBondContact N-O 3.32Å; V76-R89 PolarHBondContact O-N 3.34Å; V76-D124 WeakPolarHBondContact CA-O 3.46Å; V76-I125 HydrophobicContact CG2-CG1 4.35Å; V76-F158 HydrophobicContact CG2-CE2 4.17Å; V76-F158 HydrophobicContact CG2-CZ 4.21Å
77V94.1Very high94.8Very high1 Ų168.1 Ų68.11%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-71.8120.1175.8-176.60000110I86 V120 G123 D124 V126V77-I86 HydrophobicContact CG1-CB 4.36Å; V77-I86 HydrophobicContact CG1-CD1 4.43Å; V77-I86 HydrophobicContact CG2-CD1 3.9Å; V77-V120 HydrophobicContact CG2-CG1 4.09Å; V77-G123 PolarHBondContact O-N 3.45Å; V77-D124 HydrophobicContact CG2-CB 4.44Å; V77-D124 WeakPolarHBondContact CG2-O 3.36Å; V77-D124 PolarHBondContact N-O 3.43Å; V77-V126 HydrophobicContact CG2-CB 4.43Å; V77-V126 HydrophobicContact CG2-CG1 3.58Å; V77-V126 HydrophobicContact CG2-CG2 4Å
78T93Very high94.9Very high46 Ų4665.2 Ų65.228%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-102.9-39.4179.857.40000113.6V76 V87 R89V76-T78 PolarHBondContact O-N 3.28Å; T78-V87 PolarHBondContact N-O 3.23Å; T78-V87 PolarHBondContact OG1-O 3.45Å; T78-R89 HydrophobicContact CG2-CB 3.34Å; T78-R89 HydrophobicContact CG2-CG 4.36Å
79K93.8Very high94.7Very high129 Ų12968.2 Ų68.256%0.56133%0.329SS*.EExtended strand (participates in β ladder)trans-141136.1-176.4-58.4-179.4-178.5179.20109.9I86 V87K79-I86 WeakPolarHBondContact O-CA 3.39Å; K79-V87 HydrophobicContact CB-CB 4.21Å; K79-V87 HydrophobicContact CB-CG2 4.44Å; K79-V87 PolarHBondContact N-O 3.41Å; K79-V87 PolarHBondContact O-N 2.78Å
80M93.7Very high94.7Very high82 Ų8265.3 Ų65.340%0.40432%0.318SS..EExtended strand (participates in β ladder)trans-130.150.2176.2-173.6164.9172.200110.3I86 L113 V120M80-I86 HydrophobicContact CB-CG2 4.11Å; M80-I86 HydrophobicContact CG-CG2 3.83Å; M80-I86 HydrophobicContact SD-CG2 4.19Å; M80-L113 HydrophobicContact CE-CD2 3.59Å; M80-L113 HydrophobicContact SD-CD2 4.15Å; M80-V120 HydrophobicContact SD-CB 4.47Å; M80-V120 HydrophobicContact SD-CG1 4.49Å
81K94.1Very high94.6Very high197 Ų19763 Ų6386%0.85729%0.29SS*.EExtended strand (participates in β ladder)trans-96.7-11.5-178.2-61.9-167.6176.1-168.80113.6
82M94.6Very high94.5Very high105 Ų10559 Ų5952%0.51728%0.276SS..EExtended strand (participates in β ladder)trans-97.2149.8-177.6-58.4174.971.700110.1R84 T85M82-R84 PolarHBondContact O-N 3.13Å; M82-R84 VanDerWaalsContact O-N 3.17Å; M82-T85 HydrophobicContact CE-CG2 4.45Å; M82-T85 HydrophobicContact SD-CG2 4.26Å
83Q92.1Very high94.5Very high139 Ų13958.2 Ų58.265%0.6527%0.272SS*.THydrogen-bonded Turntrans-63.8119175.2-169.7-174.25.600110.3T85Q83-T85 PolarHBondContact O-N 3.15Å; Q83-T85 PolarHBondContact O-OG1 2.89Å
84R92.9Very high94.5Very high69 Ų6960.1 Ų60.126%0.2628%0.28SS..THydrogen-bonded Turntrans52.923.8176-59176.9-174.2-177.32.7114.1I56 M82 H112 L113 P115I56-R84 PolarHBondContact O-NH1 3.27Å; M82-R84 PolarHBondContact O-N 3.13Å; M82-R84 VanDerWaalsContact O-N 3.17Å; R84-H112 PolarHBondContact O-ND1 3.28Å; R84-L113 CarbonylContact C-O 3.56Å; R84-L113 PolarHBondContact O-N 3.22Å; R84-P115 HydrophobicContact CG-CG 4.34Å
85T96.8Very high94.6Very high18 Ų1863.1 Ų63.111%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-138.8135.1177.9-56.80000108.9M82 Q83 V111 V138M82-T85 HydrophobicContact CE-CG2 4.45Å; M82-T85 HydrophobicContact SD-CG2 4.26Å; Q83-T85 PolarHBondContact O-N 3.15Å; Q83-T85 PolarHBondContact O-OG1 2.89Å; T85-V111 CarbonylContact C-O 3.56Å; T85-V111 VanDerWaalsContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CG2-O 3.38Å; T85-V138 HydrophobicContact CG2-CG2 3.87Å
86I96.7Very high94.8Very high1 Ų165.8 Ų65.81%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-118.5153.9177.559.6176.1000110.3V77 K79 M80 I88 V111 L113 V126 V142V77-I86 HydrophobicContact CG1-CB 4.36Å; V77-I86 HydrophobicContact CG1-CD1 4.43Å; V77-I86 HydrophobicContact CG2-CD1 3.9Å; K79-I86 WeakPolarHBondContact O-CA 3.39Å; M80-I86 HydrophobicContact CB-CG2 4.11Å; M80-I86 HydrophobicContact CG-CG2 3.83Å; M80-I86 HydrophobicContact SD-CG2 4.19Å; I86-I88 HydrophobicContact CD1-CG2 4.01Å; I86-I88 HydrophobicContact CG1-CG2 4.17Å; I86-V111 HydrophobicContact CG1-CB 4.1Å; I86-V111 PolarHBondContact N-O 3.42Å; I86-V111 PolarHBondContact O-N 2.94Å; I86-L113 HydrophobicContact CD1-CB 4.44Å; I86-L113 HydrophobicContact CD1-CD1 4.39Å; I86-L113 HydrophobicContact CG1-CB 4.29Å; I86-L113 HydrophobicContact CG2-CB 4.01Å; I86-L113 HydrophobicContact CG2-CD2 3.7Å; I86-L113 HydrophobicContact CG2-CG 4.43Å; I86-V126 HydrophobicContact CD1-CG2 4.37Å; I86-V142 HydrophobicContact CD1-CG2 3.73Å; I86-V142 HydrophobicContact CG1-CG2 4.38Å
87V96.6Very high95Very high28 Ų2874.8 Ų74.817%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-101.4117.3169.9-176.90000108.2T78 K79 N108 M109T78-V87 PolarHBondContact N-O 3.23Å; T78-V87 PolarHBondContact OG1-O 3.45Å; K79-V87 HydrophobicContact CB-CB 4.21Å; K79-V87 HydrophobicContact CB-CG2 4.44Å; K79-V87 PolarHBondContact N-O 3.41Å; K79-V87 PolarHBondContact O-N 2.78Å; V87-N108 HydrophobicContact CG1-CB 4.1Å; V87-M109 WeakPolarHBondContact CA-O 3.33Å
88I95.4Very high95.2Very high0 Ų083 Ų830%037%0.367CS..EExtended strand (participates in β ladder)trans-98.4147173.471168.8000109.6V76 I86 N108 M109 V111 V126 V128V76-I88 CarbonylContact O-C 3.59Å; V76-I88 VanDerWaalsContact O-CA 3.26Å; V76-I88 WeakPolarHBondContact O-CA 2.88Å; I86-I88 HydrophobicContact CD1-CG2 4.01Å; I86-I88 HydrophobicContact CG1-CG2 4.17Å; I88-N108 CarbonylContact O-C 3.54Å; I88-N108 WeakPolarHBondContact O-CA 3.23Å; I88-M109 HydrophobicContact CD1-CB 4.44Å; I88-M109 HydrophobicContact CD1-CE 3.66Å; I88-M109 HydrophobicContact CG1-CB 3.89Å; I88-M109 HydrophobicContact CG1-CE 4.08Å; I88-M109 PolarHBondContact N-O 2.91Å; I88-M109 PolarHBondContact O-N 2.94Å; I88-V111 HydrophobicContact CB-CG2 4.39Å; I88-V111 HydrophobicContact CD1-CG2 3.67Å; I88-V111 HydrophobicContact CG1-CG2 3.62Å; I88-V111 HydrophobicContact CG2-CB 4.49Å; I88-V111 HydrophobicContact CG2-CG2 3.95Å; I88-V126 HydrophobicContact CB-CG2 4.46Å; I88-V126 HydrophobicContact CG2-CG2 3.5Å; I88-V128 HydrophobicContact CD1-CG1 3.91Å; I88-V128 HydrophobicContact CD1-CG2 3.77Å
89R94.4Very high95.4Very high84 Ų8487.4 Ų87.432%0.31738%0.379SS..EExtended strand (participates in β ladder)trans-116135.4173.4-179.4174.4170.61490.2109.2V76 T78 D91 H106V76-R89 PolarHBondContact N-O 3.32Å; V76-R89 PolarHBondContact O-N 3.34Å; T78-R89 HydrophobicContact CG2-CB 3.34Å; T78-R89 HydrophobicContact CG2-CG 4.36Å; R89-D91 IonicContact CZ-OD1 2.8Å; R89-D91 IonicContact NE-OD1 2.8Å; R89-D91 PolarHBondContact NE-OD1 2.79Å; R89-D91 IonicContact NE-OD2 3.97Å; R89-D91 PolarHBondContact NE-OD2 3.29Å; R89-D91 IonicContact NH2-OD1 3.87Å; R89-D91 PolarHBondContact NH2-OD1 3.13Å; R89-H106 HydrophobicContact CG-CB 4.12Å; R89-H106 VanDerWaalsContact CZ-CG 3.45Å; R89-H106 PolarHBondContact NH2-ND1 3.43Å
90R94.2Very high95.5Very high60 Ų6087 Ų8723%0.22638%0.383CS..EExtended strand (participates in β ladder)trans-117.1113171.5-63.7-170.870.9-168.45.4108.2L73 S74 H106 K107 M109L73-R90 VanDerWaalsContact CB-NH1 3.34Å; L73-R90 VanDerWaalsContact CG-NH1 3.35Å; S74-R90 WeakPolarHBondContact O-CD 3.12Å; S74-R90 WeakPolarHBondContact O-CG 3.5Å; S74-R90 PolarHBondContact O-NE 3.29Å; R90-H106 CarbonylContact O-C 3.43Å; R90-H106 VanDerWaalsContact O-CA 3.26Å; R90-H106 WeakPolarHBondContact O-CA 3.16Å; R90-K107 PolarHBondContact N-O 2.83Å; R90-K107 PolarHBondContact O-N 3.07Å; R90-M109 HydrophobicContact CG-CE 3.74Å
91D93.7Very high95.7Very high17 Ų1791.9 Ų91.99%0.09140%0.397CS..EExtended strand (participates in β ladder)trans-90.5133173.4-65.5-60.3000109R89 R105 H106 F155 F158R89-D91 IonicContact CZ-OD1 2.8Å; R89-D91 IonicContact NE-OD1 2.8Å; R89-D91 PolarHBondContact NE-OD1 2.79Å; R89-D91 IonicContact NE-OD2 3.97Å; R89-D91 PolarHBondContact NE-OD2 3.29Å; R89-D91 IonicContact NH2-OD1 3.87Å; R89-D91 PolarHBondContact NH2-OD1 3.13Å; D91-R105 WeakPolarHBondContact CA-O 3.32Å; D91-H106 WeakPolarHBondContact OD1-CB 3.45Å; D91-F155 HydrophobicContact CB-CD2 3.63Å; D91-F155 HydrophobicContact CB-CE2 3.56Å; D91-F155 HydrophobicContact CB-CZ 4.44Å; D91-F158 PolarHBondContact O-N 2.72Å
92Y94.4Very high95.8Very high91 Ų9188.4 Ų88.436%0.35738%0.382SS..EExtended strand (participates in β ladder)trans-143.7161.8179.666-82.4000110.5H94 R105Y92-H94 HydrophobicContact CE2-CB 4.33Å; Y92-R105 HydrophobicContact CD1-CB 4.35Å; Y92-R105 HydrophobicContact CD2-CB 4.3Å; Y92-R105 HydrophobicContact CE1-CB 3.81Å; Y92-R105 HydrophobicContact CE2-CB 3.76Å; Y92-R105 HydrophobicContact CE2-CG 4.45Å; Y92-R105 VanDerWaalsContact CZ-CB 3.48Å; Y92-R105 PolarHBondContact N-O 3.18Å; Y92-R105 PolarHBondContact O-N 3.26Å; Y92-R105 VanDerWaalsContact O-O 3.06Å
93L95.6Very high95.9Very high57 Ų5786.5 Ų86.530%0.29837%0.372SS..EExtended strand (participates in β ladder)trans-98.9128.1176.7-67.7178.1000109.6F102 E103 K104 F155 K157L93-F102 HydrophobicContact CB-CB 4.07Å; L93-F102 HydrophobicContact CB-CD1 3.9Å; L93-F102 HydrophobicContact CB-CG 4.26Å; L93-F102 HydrophobicContact CD1-CB 4.4Å; L93-F102 HydrophobicContact CD2-CB 4.28Å; L93-F102 HydrophobicContact CG-CB 4.48Å; L93-E103 WeakPolarHBondContact CA-O 3.47Å; L93-K104 HydrophobicContact CD2-CG 3.77Å; L93-F155 HydrophobicContact CD2-CE1 4.3Å; L93-F155 HydrophobicContact CD2-CZ 3.74Å; L93-F155 HydrophobicContact CG-CZ 4.08Å; L93-K157 HydrophobicContact CD1-CD 4.02Å
94H96.2Very high96.1Very high72 Ų7287.1 Ų87.133%0.33337%0.372SS..EExtended strand (participates in β ladder)trans-104.3129174.6179.1-102000109.8Y92 F102 E103 R105Y92-H94 HydrophobicContact CE2-CB 4.33Å; H94-F102 CarbonylContact O-C 3.55Å; H94-F102 VanDerWaalsContact O-CA 3.28Å; H94-F102 WeakPolarHBondContact O-CA 3.25Å; H94-E103 HydrophobicContact CB-CG 3.83Å; H94-E103 IonicContact CE1-OE1 3.84Å; H94-E103 IonicContact CG-OE1 3.64Å; H94-E103 PolarHBondContact N-O 2.85Å; H94-E103 IonicContact ND1-OE1 2.87Å; H94-E103 PolarHBondContact ND1-OE1 3.26Å; H94-E103 PolarHBondContact O-N 3.43Å; H94-R105 HydrophobicContact CB-CG 3.96Å
95Y96.8Very high96.2Very high99 Ų9988.9 Ų88.939%0.38838%0.379SS..EExtended strand (participates in β ladder)trans-85128.3-175.6180-112.3000111.5R97 N100 F102Y95-R97 HydrophobicContact CE1-CB 4.19Å; Y95-R97 HydrophobicContact CE1-CG 4.37Å; Y95-N100 VanDerWaalsContact CE2-OD1 3.3Å; Y95-N100 WeakPolarHBondContact CE2-OD1 3.34Å; Y95-N100 PolarHBondContact OH-OD1 3.5Å; Y95-F102 HydrophobicContact CD2-CD1 4.14Å; Y95-F102 HydrophobicContact CD2-CD2 4.46Å; Y95-F102 AromaticContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE2 4.05Å; Y95-F102 HydrophobicContact CD2-CG 4.5Å; Y95-F102 AromaticContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CE2-CZ 4.4Å; Y95-F102 HydrophobicContact CG-CE1 4.09Å; Y95-F102 HydrophobicContact CG-CZ 4.39Å
96I97.9Very high96.1Very high56 Ų5692.3 Ų92.329%0.28739%0.393SS..EExtended strand (participates in β ladder)trans-102.8102.6176.6-53172.2000109.2K98 Y99 N100 R101 E103I96-K98 VanDerWaalsContact C-N 3.31Å; I96-K98 PolarHBondContact O-N 3.27Å; I96-Y99 HydrophobicContact CG2-CD2 3.66Å; I96-Y99 HydrophobicContact CG2-CE2 4.36Å; I96-Y99 PolarHBondContact O-N 3.49Å; I96-Y99 VanDerWaalsContact O-N 3.15Å; I96-N100 PolarHBondContact O-N 2.8Å; I96-R101 PolarHBondContact N-O 3Å; I96-E103 HydrophobicContact CD1-CB 4.14Å; I96-E103 HydrophobicContact CD1-CG 4.18Å; I96-E103 HydrophobicContact CG1-CG 4.37Å
97R97.7Very high96Very high220 Ų22098.3 Ų98.383%0.8342%0.42SS*.THydrogen-bonded Turntrans-56-39-172.2-167169.975.3147.71.8114.1Y95 Y99Y95-R97 HydrophobicContact CE1-CB 4.19Å; Y95-R97 HydrophobicContact CE1-CG 4.37Å; R97-Y99 VanDerWaalsContact C-N 3.32Å; R97-Y99 PolarHBondContact O-N 3.34Å
98K98.2Very high96Very high173 Ų173101.1 Ų101.175%0.75243%0.434SS*.THydrogen-bonded Turntrans-63.6-35.8-179-177.9176.7177.7-177.60113I96I96-K98 VanDerWaalsContact C-N 3.31Å; I96-K98 PolarHBondContact O-N 3.27Å
99Y98.1Very high96Very high139 Ų139102 Ų10255%0.54544%0.438SS..THydrogen-bonded Turntrans-108.2-2-171.6-58.6-68.7000113.3I96 R97 R101I96-Y99 HydrophobicContact CG2-CD2 3.66Å; I96-Y99 HydrophobicContact CG2-CE2 4.36Å; I96-Y99 PolarHBondContact O-N 3.49Å; I96-Y99 VanDerWaalsContact O-N 3.15Å; R97-Y99 VanDerWaalsContact C-N 3.32Å; R97-Y99 PolarHBondContact O-N 3.34Å; Y99-R101 WeakPolarHBondContact O-CG 3.3Å; Y99-R101 PolarHBondContact O-N 2.83Å
100N95.9Very high96.2Very high120 Ų12099.2 Ų99.264%0.64243%0.432SS*.THydrogen-bonded Turntrans48.341.7-173.4-163.612.2000112.3Y95 I96Y95-N100 VanDerWaalsContact CE2-OD1 3.3Å; Y95-N100 WeakPolarHBondContact CE2-OD1 3.34Å; Y95-N100 PolarHBondContact OH-OD1 3.5Å; I96-N100 PolarHBondContact O-N 2.8Å
101R98Very high96.4Very high184 Ų18496.4 Ų96.469%0.69442%0.421SS*.EExtended strand (participates in β ladder)trans-129.9159.3-176.8-76.3176.6-171.8-144.92.5110.4I96 Y99I96-R101 PolarHBondContact N-O 3Å; Y99-R101 WeakPolarHBondContact O-CG 3.3Å; Y99-R101 PolarHBondContact O-N 2.83Å
102F96.6Very high96.5Very high124 Ų12495.8 Ų95.854%0.54442%0.418SS..EExtended strand (participates in β ladder)trans-107.8139.8175-64.5-90.2000111.4L93 H94 Y95L93-F102 HydrophobicContact CB-CB 4.07Å; L93-F102 HydrophobicContact CB-CD1 3.9Å; L93-F102 HydrophobicContact CB-CG 4.26Å; L93-F102 HydrophobicContact CD1-CB 4.4Å; L93-F102 HydrophobicContact CD2-CB 4.28Å; L93-F102 HydrophobicContact CG-CB 4.48Å; H94-F102 CarbonylContact O-C 3.55Å; H94-F102 VanDerWaalsContact O-CA 3.28Å; H94-F102 WeakPolarHBondContact O-CA 3.25Å; Y95-F102 HydrophobicContact CD2-CD1 4.14Å; Y95-F102 HydrophobicContact CD2-CD2 4.46Å; Y95-F102 AromaticContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE2 4.05Å; Y95-F102 HydrophobicContact CD2-CG 4.5Å; Y95-F102 AromaticContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CE2-CZ 4.4Å; Y95-F102 HydrophobicContact CG-CE1 4.09Å; Y95-F102 HydrophobicContact CG-CZ 4.39Å
103E95.9Very high96.6Very high66 Ų6691.9 Ų91.931%0.30840%0.403SS..EExtended strand (participates in β ladder)trans-105.5147.1167.965.3-179.1170.100110.8L93 H94 I96 R105L93-E103 WeakPolarHBondContact CA-O 3.47Å; H94-E103 HydrophobicContact CB-CG 3.83Å; H94-E103 IonicContact CE1-OE1 3.84Å; H94-E103 IonicContact CG-OE1 3.64Å; H94-E103 PolarHBondContact N-O 2.85Å; H94-E103 IonicContact ND1-OE1 2.87Å; H94-E103 PolarHBondContact ND1-OE1 3.26Å; H94-E103 PolarHBondContact O-N 3.43Å; I96-E103 HydrophobicContact CD1-CB 4.14Å; I96-E103 HydrophobicContact CD1-CG 4.18Å; I96-E103 HydrophobicContact CG1-CG 4.37Å; E103-R105 HydrophobicContact CG-CG 4.22Å; E103-R105 PolarHBondContact O-N 2.93Å; E103-R105 IonicContact OE1-CZ 2.74Å; E103-R105 IonicContact OE1-NE 2.8Å; E103-R105 PolarHBondContact OE1-NE 2.81Å; E103-R105 IonicContact OE1-NH2 3.07Å; E103-R105 PolarHBondContact OE1-NH2 2.94Å
104K95.4Very high96.6Very high152 Ų15289.2 Ų89.266%0.66139%0.389SS*.EExtended strand (participates in β ladder)trans-80.5119.3175.3-66.7-179.7-179.4176.60109.2L93 F155L93-K104 HydrophobicContact CD2-CG 3.77Å; K104-F155 HydrophobicContact CB-CE2 3.98Å; K104-F155 HydrophobicContact CD-CD2 3.92Å; K104-F155 HydrophobicContact CD-CE2 3.87Å; K104-F155 HydrophobicContact CD-CG 4.29Å; K104-F155 HydrophobicContact CD-CZ 4.24Å; K104-F155 HydrophobicContact CG-CD2 4.3Å; K104-F155 HydrophobicContact CG-CE2 3.73Å; K104-F155 HydrophobicContact CG-CZ 3.94Å
105R95.7Very high96.4Very high105 Ų10587 Ų8740%0.39638%0.381SS..EExtended strand (participates in β ladder)trans-116.6161.1171.5-67.1-166.7179.3-163.6-2.9110.3D91 Y92 H94 E103D91-R105 WeakPolarHBondContact CA-O 3.32Å; Y92-R105 HydrophobicContact CD1-CB 4.35Å; Y92-R105 HydrophobicContact CD2-CB 4.3Å; Y92-R105 HydrophobicContact CE1-CB 3.81Å; Y92-R105 HydrophobicContact CE2-CB 3.76Å; Y92-R105 HydrophobicContact CE2-CG 4.45Å; Y92-R105 VanDerWaalsContact CZ-CB 3.48Å; Y92-R105 PolarHBondContact N-O 3.18Å; Y92-R105 PolarHBondContact O-N 3.26Å; Y92-R105 VanDerWaalsContact O-O 3.06Å; H94-R105 HydrophobicContact CB-CG 3.96Å; E103-R105 HydrophobicContact CG-CG 4.22Å; E103-R105 PolarHBondContact O-N 2.93Å; E103-R105 IonicContact OE1-CZ 2.74Å; E103-R105 IonicContact OE1-NE 2.8Å; E103-R105 PolarHBondContact OE1-NE 2.81Å; E103-R105 IonicContact OE1-NH2 3.07Å; E103-R105 PolarHBondContact OE1-NH2 2.94Å
106H94.7Very high96.2Very high90 Ų9082.4 Ų82.442%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-139.3153.2173.672.4-86000111.5R89 R90 D91R89-H106 HydrophobicContact CG-CB 4.12Å; R89-H106 VanDerWaalsContact CZ-CG 3.45Å; R89-H106 PolarHBondContact NH2-ND1 3.43Å; R90-H106 CarbonylContact O-C 3.43Å; R90-H106 VanDerWaalsContact O-CA 3.26Å; R90-H106 WeakPolarHBondContact O-CA 3.16Å; D91-H106 WeakPolarHBondContact OD1-CB 3.45Å
107K95.4Very high96Very high127 Ų12781.1 Ų81.155%0.55236%0.355SS*.EExtended strand (participates in β ladder)trans-128.7127.8170.3-170.8173.5-176.9174.20109.6R90 M109R90-K107 PolarHBondContact N-O 2.83Å; R90-K107 PolarHBondContact O-N 3.07Å; K107-M109 HydrophobicContact CG-CG 4.34Å
108N96Very high95.3Very high87 Ų8778.4 Ų78.447%0.46535%0.345SS..EExtended strand (participates in β ladder)trans-91.2139.9171.9-64.4-22.5000109.5V87 I88V87-N108 HydrophobicContact CG1-CB 4.1Å; I88-N108 CarbonylContact O-C 3.54Å; I88-N108 WeakPolarHBondContact O-CA 3.23Å
109M95.9Very high94.8Very high20 Ų2075.8 Ų75.810%0.09934%0.339CS..EExtended strand (participates in β ladder)trans-135.9136.3177.6-62.4-175.5-69.400109.9L73 V87 I88 R90 K107 F140L73-M109 HydrophobicContact CD1-CE 4.01Å; L73-M109 HydrophobicContact CD1-SD 4.13Å; V87-M109 WeakPolarHBondContact CA-O 3.33Å; I88-M109 HydrophobicContact CD1-CB 4.44Å; I88-M109 HydrophobicContact CD1-CE 3.66Å; I88-M109 HydrophobicContact CG1-CB 3.89Å; I88-M109 HydrophobicContact CG1-CE 4.08Å; I88-M109 PolarHBondContact N-O 2.91Å; I88-M109 PolarHBondContact O-N 2.94Å; R90-M109 HydrophobicContact CG-CE 3.74Å; K107-M109 HydrophobicContact CG-CG 4.34Å; M109-F140 HydrophobicContact SD-CE2 4.22Å
110S97.6Very high94.5Very high25 Ų2569.6 Ų69.618%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-85.5127.2171.8-56.20000109.4T137S110-T137 WeakPolarHBondContact CB-OG1 3.41Å; S110-T137 PolarHBondContact OG-OG1 3.15Å
111V97.8Very high94.3Very high0 Ų070 Ų700%031%0.314CS..EExtended strand (participates in β ladder)trans-130.2133.4-173.4-173.50000109T85 I86 I88 L113 V128 F140 V142T85-V111 CarbonylContact C-O 3.56Å; T85-V111 VanDerWaalsContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CG2-O 3.38Å; I86-V111 HydrophobicContact CG1-CB 4.1Å; I86-V111 PolarHBondContact N-O 3.42Å; I86-V111 PolarHBondContact O-N 2.94Å; I88-V111 HydrophobicContact CB-CG2 4.39Å; I88-V111 HydrophobicContact CD1-CG2 3.67Å; I88-V111 HydrophobicContact CG1-CG2 3.62Å; I88-V111 HydrophobicContact CG2-CB 4.49Å; I88-V111 HydrophobicContact CG2-CG2 3.95Å; V111-L113 PolarHBondContact O-N 3.18Å; V111-V128 HydrophobicContact CB-CG1 4.46Å; V111-V128 HydrophobicContact CG1-CB 4.04Å; V111-V128 HydrophobicContact CG1-CG1 3.63Å; V111-V128 HydrophobicContact CG2-CG1 4.14Å; V111-F140 WeakPolarHBondContact CA-O 3.37Å; V111-F140 HydrophobicContact CB-CB 4.49Å; V111-F140 HydrophobicContact CG1-CB 4.08Å; V111-F140 WeakPolarHBondContact CG1-O 3.33Å; V111-F140 HydrophobicContact CG2-CB 4.1Å; V111-V142 HydrophobicContact CG1-CG2 3.64Å
112H97.6Very high94Very high5 Ų566 Ų662%0.02331%0.305CS..EExtended strand (participates in β ladder)trans-69.7126.5172.5-173.171.4000109.9D57 K59 R84 L134 V138 F140 N141 V142D57-H112 IonicContact OD1-CE1 3.71Å; D57-H112 IonicContact OD1-NE2 2.98Å; D57-H112 PolarHBondContact OD1-NE2 3.04Å; D57-H112 IonicContact OD2-CD2 3.49Å; D57-H112 IonicContact OD2-CE1 3.63Å; D57-H112 IonicContact OD2-NE2 3.34Å; D57-H112 PolarHBondContact OD2-NE2 3.28Å; K59-H112 WeakPolarHBondContact CB-NE2 3.47Å; K59-H112 PolarHBondContact O-CD2 2.9Å; R84-H112 PolarHBondContact O-ND1 3.28Å; H112-L134 HydrophobicContact CB-CD1 4.06Å; H112-V138 HydrophobicContact CB-CG1 3.87Å; H112-F140 PolarHBondContact N-O 3.09Å; H112-N141 VanDerWaalsContact CB-OD1 3.23Å; H112-N141 WeakPolarHBondContact CB-OD1 3.49Å; H112-V142 PolarHBondContact O-N 2.93Å
113L96.3Very high93.7Very high8 Ų860.9 Ų60.94%0.04229%0.288CS..  trans-106.4109.5174.2179.668.1000108.3M80 R84 I86 V111 F117 V120 V142M80-L113 HydrophobicContact CE-CD2 3.59Å; M80-L113 HydrophobicContact SD-CD2 4.15Å; R84-L113 CarbonylContact C-O 3.56Å; R84-L113 PolarHBondContact O-N 3.22Å; I86-L113 HydrophobicContact CD1-CB 4.44Å; I86-L113 HydrophobicContact CD1-CD1 4.39Å; I86-L113 HydrophobicContact CG1-CB 4.29Å; I86-L113 HydrophobicContact CG2-CB 4.01Å; I86-L113 HydrophobicContact CG2-CD2 3.7Å; I86-L113 HydrophobicContact CG2-CG 4.43Å; V111-L113 PolarHBondContact O-N 3.18Å; L113-F117 HydrophobicContact CD1-CB 3.87Å; L113-F117 HydrophobicContact CD1-CD2 4.26Å; L113-F117 HydrophobicContact CD1-CG 4.5Å; L113-V120 HydrophobicContact CD1-CG2 3.88Å; L113-V120 HydrophobicContact CD2-CB 4.17Å; L113-V120 HydrophobicContact CD2-CG1 4.48Å; L113-V120 HydrophobicContact CD2-CG2 4.27Å; L113-V142 HydrophobicContact CB-CG2 4.48Å; L113-V142 HydrophobicContact CD1-CB 4.05Å; L113-V142 HydrophobicContact CD1-CG1 4.17Å; L113-V142 HydrophobicContact CD1-CG2 3.82Å
114S94.4Very high93.6Very high1 Ų158 Ų581%0.00727%0.274CS..  trans-74.6145.1177.5-165.30000111.3D57 C60 C116 F117D57-S114 PolarHBondContact OD2-OG 2.81Å; C60-S114 WeakPolarHBondContact CB-OG 3.2Å; C60-S114 PolarHBondContact SG-OG 2.89Å; S114-C116 PolarHBondContact O-N 3.26Å; S114-F117 PolarHBondContact O-N 2.86Å
115P93Very high93.4Very high27 Ų2752.4 Ų52.418%0.17525%0.252CS..THydrogen-bonded Turntrans-62.1-5.1-178.8-23.233.2000116.1Y55 D57 R84 F117 R118Y55-P115 HydrophobicContact CD1-CB 4.19Å; Y55-P115 HydrophobicContact CD2-CB 3.77Å; Y55-P115 HydrophobicContact CD2-CG 3.75Å; Y55-P115 HydrophobicContact CE2-CB 4.31Å; Y55-P115 HydrophobicContact CE2-CG 4.31Å; Y55-P115 HydrophobicContact CG-CB 3.72Å; Y55-P115 HydrophobicContact CG-CG 4.15Å; D57-P115 WeakPolarHBondContact OD2-CD 3.14Å; R84-P115 HydrophobicContact CG-CG 4.34Å; P115-F117 PolarHBondContact O-N 3.48Å; P115-R118 VanDerWaalsContact O-CG 3.25Å; P115-R118 WeakPolarHBondContact O-CG 3.5Å
116C93.2Very high93.4Very high2 Ų247.4 Ų47.41%0.01423%0.233CC..THydrogen-bonded Turntrans-64.5-24.2169.353.40000112.8P47 E49 A50 Y55 S114P47-C116 HydrophobicContact CB-CB 4.14Å; P47-C116 HydrophobicContact CG-CB 4.35Å; E49-C116 HydrophobicContact CB-CB 4.16Å; E49-C116 WeakPolarHBondContact CB-O 3.35Å; A50-C116 HydrophobicContact CB-CB 4.1Å; Y55-C116 HydrophobicContact CE1-CB 3.95Å; Y55-C116 WeakPolarHBondContact OH-CB 3.49Å; S114-C116 PolarHBondContact O-N 3.26Å
117F92.2Very high93.4Very high28 Ų2844.1 Ų44.112%0.12322%0.219CC..  trans-102.479.1177-59-66.3000109.5P47 F62 L113 S114 P115 V120 V142 L143 V145P47-F117 HydrophobicContact CB-CE1 4.39Å; P47-F117 HydrophobicContact CG-CE1 3.62Å; P47-F117 HydrophobicContact CG-CE2 4.45Å; P47-F117 HydrophobicContact CG-CZ 3.57Å; F62-F117 AromaticContact CE2-CE2 3.82Å; F62-F117 HydrophobicContact CE2-CE2 3.82Å; F62-F117 AromaticContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CZ-CZ 4.19Å; L113-F117 HydrophobicContact CD1-CB 3.87Å; L113-F117 HydrophobicContact CD1-CD2 4.26Å; L113-F117 HydrophobicContact CD1-CG 4.5Å; S114-F117 PolarHBondContact O-N 2.86Å; P115-F117 PolarHBondContact O-N 3.48Å; F117-V120 HydrophobicContact CB-CG2 3.76Å; F117-V142 HydrophobicContact CD2-CB 4.36Å; F117-V142 HydrophobicContact CD2-CG1 3.93Å; F117-V142 HydrophobicContact CE2-CB 4.39Å; F117-V142 HydrophobicContact CE2-CG1 3.97Å; F117-L143 VanDerWaalsContact CZ-O 3.29Å; F117-L143 WeakPolarHBondContact CZ-O 3.06Å; F117-V145 HydrophobicContact CB-CG2 4.03Å; F117-V145 HydrophobicContact CD1-CG2 3.73Å; F117-V145 HydrophobicContact CE1-CG2 4.33Å; F117-V145 HydrophobicContact CG-CG2 3.86Å
118R83.8Confident93.5Very high163 Ų16338 Ų3862%0.61519%0.193SC*.THydrogen-bonded Turntrans-76.2-33-176.9-65.7-174179175.7-2.6113.2P115 V120P115-R118 VanDerWaalsContact O-CG 3.25Å; P115-R118 WeakPolarHBondContact O-CG 3.5Å; R118-V120 PolarHBondContact O-N 2.8Å
119D86.8Confident93.6Very high118 Ų11833.9 Ų33.963%0.63117%0.17SC*.THydrogen-bonded Turntrans-80.91.6-169.6-53.7-34.1000113Q121 K147D119-Q121 PolarHBondContact O-N 3.46Å; D119-K147 PolarHBondContact O-NZ 3.1Å
120V91.4Very high93.7Very high10 Ų1035.8 Ų35.86%0.06118%0.179CC..  trans-61.6129.1-173.8-176.10000111.4V77 M80 L113 F117 R118 V145V77-V120 HydrophobicContact CG2-CG1 4.09Å; M80-V120 HydrophobicContact SD-CB 4.47Å; M80-V120 HydrophobicContact SD-CG1 4.49Å; L113-V120 HydrophobicContact CD1-CG2 3.88Å; L113-V120 HydrophobicContact CD2-CB 4.17Å; L113-V120 HydrophobicContact CD2-CG1 4.48Å; L113-V120 HydrophobicContact CD2-CG2 4.27Å; F117-V120 HydrophobicContact CB-CG2 3.76Å; R118-V120 PolarHBondContact O-N 2.8Å; V120-V145 HydrophobicContact CG2-CB 4.41Å; V120-V145 HydrophobicContact CG2-CG1 4.02Å; V120-V145 HydrophobicContact CG2-CG2 3.6Å
121Q92Very high93.7Very high129 Ų12934.8 Ų34.860%0.60317%0.172SC*.  trans-119.1164.2177-69.3179.8-9.900111.2D119 G123 D124D119-Q121 PolarHBondContact O-N 3.46Å; Q121-G123 PolarHBondContact O-N 2.91Å; Q121-D124 PolarHBondContact N-OD2 3.47Å; Q121-D124 WeakPolarHBondContact O-CB 3.14Å; Q121-D124 PolarHBondContact O-N 3.17Å
122I92.2Very high93.6Very high98 Ų9840.3 Ų40.350%0.50319%0.193SC..THydrogen-bonded Turntrans-65.3132.3172.7-61.1170.5000108.1
123G90.9Very high93.6Very high17 Ų1744.1 Ų44.118%0.17522%0.218CC..THydrogen-bonded Turntrans96.2-13-176.100000114.6V77 Q121 A148V77-G123 PolarHBondContact O-N 3.45Å; Q121-G123 PolarHBondContact O-N 2.91Å; G123-A148 WeakPolarHBondContact O-CB 3.08Å
124D92.4Very high93.6Very high5 Ų545.2 Ų45.23%0.02722%0.223CC..  trans-63.3150.1174.5-79.1-22.1000111.7V76 V77 Q121 V145 K147 A148V76-D124 WeakPolarHBondContact CA-O 3.46Å; V77-D124 HydrophobicContact CG2-CB 4.44Å; V77-D124 WeakPolarHBondContact CG2-O 3.36Å; V77-D124 PolarHBondContact N-O 3.43Å; Q121-D124 PolarHBondContact N-OD2 3.47Å; Q121-D124 WeakPolarHBondContact O-CB 3.14Å; Q121-D124 PolarHBondContact O-N 3.17Å; D124-V145 HydrophobicContact CB-CG1 4.27Å; D124-K147 IonicContact OD1-NZ 3.46Å; D124-K147 IonicContact OD2-NZ 2.66Å; D124-K147 PolarHBondContact OD2-NZ 3.36Å; D124-A148 PolarHBondContact OD1-N 3.17Å
125I92.9Very high93.7Very high36 Ų3648.3 Ų48.319%0.18525%0.245CC..EExtended strand (participates in β ladder)trans-92.7123.4173.7-60.2168.6000107.8V76 T146 F158V76-I125 HydrophobicContact CG2-CG1 4.35Å; I125-T146 PolarHBondContact N-O 3.11Å; I125-T146 WeakPolarHBondContact O-CA 3.4Å; I125-T146 PolarHBondContact O-N 3.13Å; I125-T146 VanDerWaalsContact O-O 3.09Å; I125-F158 HydrophobicContact CG2-CE1 4.41Å; I125-F158 HydrophobicContact CG2-CZ 4.36Å
126V94.9Very high93.8Very high0 Ų056.1 Ų56.10%028%0.276CS..EExtended strand (participates in β ladder)trans-116.5137.3179.4-63.90000111.4S74 G75 V77 I86 I88 V128 V142 K144 V145S74-V126 WeakPolarHBondContact CA-O 3.47Å; G75-V126 PolarHBondContact N-O 3.02Å; G75-V126 PolarHBondContact O-N 2.91Å; V77-V126 HydrophobicContact CG2-CB 4.43Å; V77-V126 HydrophobicContact CG2-CG1 3.58Å; V77-V126 HydrophobicContact CG2-CG2 4Å; I86-V126 HydrophobicContact CD1-CG2 4.37Å; I88-V126 HydrophobicContact CB-CG2 4.46Å; I88-V126 HydrophobicContact CG2-CG2 3.5Å; V126-V128 HydrophobicContact CB-CG1 4.42Å; V126-V128 HydrophobicContact CG2-CG1 3.87Å; V126-V142 HydrophobicContact CB-CG1 4.37Å; V126-V142 HydrophobicContact CG1-CG1 4.45Å; V126-K144 WeakPolarHBondContact CA-O 3.08Å; V126-V145 HydrophobicContact CG1-CG1 4.28Å; V126-V145 HydrophobicContact CG1-CG2 4.16Å
127T95.7Very high94Very high20 Ų2059.9 Ų59.912%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-93.3125167.1-50.80000108.3F44 I72 L73 L143 K144F44-T127 HydrophobicContact CE1-CG2 3.9Å; F44-T127 HydrophobicContact CZ-CG2 3.8Å; I72-T127 HydrophobicContact CG2-CG2 3.53Å; L73-T127 CarbonylContact O-C 3.5Å; L73-T127 WeakPolarHBondContact O-CA 3.44Å; T127-L143 PolarHBondContact O-N 2.98Å; T127-K144 PolarHBondContact N-O 3.16Å; T127-K144 PolarHBondContact O-N 3.14Å
128V97.1Very high94.3Very high0 Ų058.9 Ų58.90%030%0.296CS..EExtended strand (participates in β ladder)trans-120.6142.1-175.3-52.30000110.2I72 L73 I88 V111 V126 F140 N141 V142I72-V128 CarbonylContact C-O 3.57Å; I72-V128 WeakPolarHBondContact CA-O 3.26Å; L73-V128 HydrophobicContact CB-CG2 3.9Å; L73-V128 PolarHBondContact N-O 2.57Å; L73-V128 WeakPolarHBondContact O-CG2 3.48Å; L73-V128 PolarHBondContact O-N 2.96Å; I88-V128 HydrophobicContact CD1-CG1 3.91Å; I88-V128 HydrophobicContact CD1-CG2 3.77Å; V111-V128 HydrophobicContact CB-CG1 4.46Å; V111-V128 HydrophobicContact CG1-CB 4.04Å; V111-V128 HydrophobicContact CG1-CG1 3.63Å; V111-V128 HydrophobicContact CG2-CG1 4.14Å; V126-V128 HydrophobicContact CB-CG1 4.42Å; V126-V128 HydrophobicContact CG2-CG1 3.87Å; V128-F140 HydrophobicContact CB-CB 4.38Å; V128-F140 HydrophobicContact CG2-CB 4.32Å; V128-F140 HydrophobicContact CG2-CD1 4Å; V128-F140 HydrophobicContact CG2-CG 4.41Å; V128-N141 CarbonylContact C-O 3.53Å; V128-N141 WeakPolarHBondContact CA-O 3.27Å; V128-N141 WeakPolarHBondContact CB-O 3.29Å; V128-V142 HydrophobicContact CG1-CG2 4.28Å
129G97.8Very high94.9Very high0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans-111.1139.7175.400000110.9F140 N141G129-F140 CarbonylContact O-C 3.5Å; G129-F140 VanDerWaalsContact O-CA 3.28Å; G129-F140 WeakPolarHBondContact O-CA 3.25Å; G129-N141 PolarHBondContact N-O 2.93Å; G129-N141 PolarHBondContact O-N 3.17Å
130E97.8Very high95.5Very high60 Ų6053.6 Ų53.628%0.2827%0.268SS..EExtended strand (participates in β ladder)trans-63.1138.1170.7171.2173.6-15800110.4I68 R69 R71 F140I68-E130 WeakPolarHBondContact CA-O 3.41Å; R69-E130 PolarHBondContact N-O 2.8Å; R69-E130 CarbonylContact O-C 3.57Å; R69-E130 WeakPolarHBondContact O-CB 3.35Å; R69-E130 WeakPolarHBondContact O-CG 3.44Å; R69-E130 VanDerWaalsContact O-O 3.05Å; R71-E130 HydrophobicContact CB-CB 4.34Å; R71-E130 WeakPolarHBondContact CB-OE2 3.49Å; R71-E130 WeakPolarHBondContact CG-OE2 3.32Å; R71-E130 PolarHBondContact N-OE2 2.89Å; R71-E130 WeakPolarHBondContact O-CB 3.09Å; R71-E130 PolarHBondContact O-N 2.97Å; E130-F140 HydrophobicContact CB-CD1 3.99Å; E130-F140 HydrophobicContact CB-CE1 3.63Å; E130-F140 HydrophobicContact CB-CZ 4.28Å; E130-F140 HydrophobicContact CG-CE1 4.49Å
131C97.1Very high95.8Very high3 Ų353.1 Ų53.12%0.0227%0.265CS..EExtended strand (participates in β ladder)trans-132.6176.2-179.6680000109.9V66 I68 R139 N141V66-C131 HydrophobicContact CG1-CB 3.73Å; I68-C131 HydrophobicContact CD1-CB 4Å; C131-R139 PolarHBondContact N-O 3.5Å; C131-R139 PolarHBondContact SG-O 3.12Å; C131-R139 VanDerWaalsContact SG-O 3.38Å; C131-N141 PolarHBondContact SG-OD1 3.07Å; C131-N141 VanDerWaalsContact SG-OD1 3.41Å
132R96.4Very high96Very high117 Ų11747 Ų4744%0.44224%0.236SC..SBendtrans-61.8151.7168.266.2-179.7178.2-178.2-2.6109.6N65 L134N65-R132 PolarHBondContact O-NH2 2.88Å; N65-R132 VanDerWaalsContact O-NH2 3.13Å; R132-L134 HydrophobicContact CG-CD2 4.26Å; R132-L134 WeakPolarHBondContact O-CG 3.39Å; R132-L134 PolarHBondContact O-N 2.88Å; R132-L134 VanDerWaalsContact O-N 3.15Å
133P97.4Very high96.2Very high85 Ų8542.5 Ų42.555%0.55221%0.213SC*.  trans-52.6122.9175.1-25.534.5000111.7
134L96Very high96.4Very high30 Ų3047 Ų4716%0.15723%0.228CC..  trans-103.7-21.7178.9-59.7-179.2000112.7K59 V66 H112 R132 V138 N141K59-L134 HydrophobicContact CB-CD1 4.05Å; K59-L134 HydrophobicContact CD-CB 4.33Å; K59-L134 HydrophobicContact CD-CD1 4.4Å; K59-L134 HydrophobicContact CG-CD1 4.29Å; K59-L134 HydrophobicContact CG-CD2 4.41Å; V66-L134 HydrophobicContact CG1-CD2 4.48Å; V66-L134 HydrophobicContact CG2-CD2 4.02Å; H112-L134 HydrophobicContact CB-CD1 4.06Å; R132-L134 HydrophobicContact CG-CD2 4.26Å; R132-L134 WeakPolarHBondContact O-CG 3.39Å; R132-L134 PolarHBondContact O-N 2.88Å; R132-L134 VanDerWaalsContact O-N 3.15Å; L134-V138 HydrophobicContact CB-CB 4.37Å; L134-V138 HydrophobicContact CB-CG1 4.15Å; L134-V138 HydrophobicContact CD1-CG1 4.2Å; L134-V138 PolarHBondContact N-O 3.5Å; L134-N141 WeakPolarHBondContact CD1-OD1 3.14Å
135S95.8Very high96.4Very high67 Ų6748.3 Ų48.347%0.46924%0.236SC..SBendtrans-159.5-176.3175.3-174.30000108.5T137 V138S135-T137 VanDerWaalsContact C-N 3.3Å; S135-T137 PolarHBondContact O-N 3.48Å; S135-V138 PolarHBondContact N-O 3.3Å
136K96.9Very high96.4Very high190 Ų19049.4 Ų49.483%0.82624%0.244SC*.SBendtrans-51.8-46.9179.4-175.1175.7-178.31760112.3
137T97Very high96.2Very high81 Ų8154.7 Ų54.750%0.49727%0.267SS..SBendtrans-109.1-18.6-176.458.60000113.8S110 S135 R139S110-T137 WeakPolarHBondContact CB-OG1 3.41Å; S110-T137 PolarHBondContact OG-OG1 3.15Å; S135-T137 VanDerWaalsContact C-N 3.3Å; S135-T137 PolarHBondContact O-N 3.48Å; T137-R139 PolarHBondContact O-N 2.91Å
138V97.6Very high95.5Very high8 Ų855.4 Ų55.45%0.04828%0.275CS..  trans-87.6105.1-174.6-174.70000110T85 H112 L134 S135T85-V138 HydrophobicContact CG2-CG2 3.87Å; H112-V138 HydrophobicContact CB-CG1 3.87Å; L134-V138 HydrophobicContact CB-CB 4.37Å; L134-V138 HydrophobicContact CB-CG1 4.15Å; L134-V138 HydrophobicContact CD1-CG1 4.2Å; L134-V138 PolarHBondContact N-O 3.5Å; S135-V138 PolarHBondContact N-O 3.3Å
139R97.8Very high94.3Very high141 Ų14161.1 Ų61.153%0.53232%0.323SS..  trans-127.27.5176.4-57.3-175.6-178.6-166.9-0.1112.9C131 T137C131-R139 PolarHBondContact N-O 3.5Å; C131-R139 PolarHBondContact SG-O 3.12Å; C131-R139 VanDerWaalsContact SG-O 3.38Å; T137-R139 PolarHBondContact O-N 2.91Å
140F98.1Very high92.8Very high29 Ų2963.4 Ų63.413%0.12735%0.346CS..EExtended strand (participates in β ladder)trans-133.1147.2-179-69.1-90.7000109.7R71 L73 M109 V111 H112 V128 G129 E130R71-F140 HydrophobicContact CB-CE1 4.46Å; L73-F140 HydrophobicContact CD1-CD1 4.47Å; L73-F140 HydrophobicContact CD1-CE1 3.63Å; L73-F140 HydrophobicContact CD1-CZ 3.82Å; L73-F140 HydrophobicContact CG-CE1 4.23Å; M109-F140 HydrophobicContact SD-CE2 4.22Å; V111-F140 WeakPolarHBondContact CA-O 3.37Å; V111-F140 HydrophobicContact CB-CB 4.49Å; V111-F140 HydrophobicContact CG1-CB 4.08Å; V111-F140 WeakPolarHBondContact CG1-O 3.33Å; V111-F140 HydrophobicContact CG2-CB 4.1Å; H112-F140 PolarHBondContact N-O 3.09Å; V128-F140 HydrophobicContact CB-CB 4.38Å; V128-F140 HydrophobicContact CG2-CB 4.32Å; V128-F140 HydrophobicContact CG2-CD1 4Å; V128-F140 HydrophobicContact CG2-CG 4.41Å; G129-F140 CarbonylContact O-C 3.5Å; G129-F140 VanDerWaalsContact O-CA 3.28Å; G129-F140 WeakPolarHBondContact O-CA 3.25Å; E130-F140 HydrophobicContact CB-CD1 3.99Å; E130-F140 HydrophobicContact CB-CE1 3.63Å; E130-F140 HydrophobicContact CB-CZ 4.28Å; E130-F140 HydrophobicContact CG-CE1 4.49Å
141N97.6Very high91.1Very high0 Ų066.2 Ų66.20%037%0.368CS..EExtended strand (participates in β ladder)trans-120.6146.7172.7-80.118.5000110.6K59 P61 I68 H112 V128 G129 C131 L134K59-N141 PolarHBondContact O-ND2 3.16Å; P61-N141 HydrophobicContact CB-CB 4.49Å; P61-N141 WeakPolarHBondContact CD-ND2 3.04Å; P61-N141 HydrophobicContact CG-CB 4.22Å; I68-N141 HydrophobicContact CD1-CB 3.94Å; H112-N141 VanDerWaalsContact CB-OD1 3.23Å; H112-N141 WeakPolarHBondContact CB-OD1 3.49Å; V128-N141 CarbonylContact C-O 3.53Å; V128-N141 WeakPolarHBondContact CA-O 3.27Å; V128-N141 WeakPolarHBondContact CB-O 3.29Å; G129-N141 PolarHBondContact N-O 2.93Å; G129-N141 PolarHBondContact O-N 3.17Å; C131-N141 PolarHBondContact SG-OD1 3.07Å; C131-N141 VanDerWaalsContact SG-OD1 3.41Å; L134-N141 WeakPolarHBondContact CD1-OD1 3.14Å
142V96.9Very high89.6Confident0 Ų075 Ų750%041%0.406CS..EExtended strand (participates in β ladder)trans-69.6132.7170.9-179.20000110.3I86 V111 H112 L113 F117 V126 V128 V145I86-V142 HydrophobicContact CD1-CG2 3.73Å; I86-V142 HydrophobicContact CG1-CG2 4.38Å; V111-V142 HydrophobicContact CG1-CG2 3.64Å; H112-V142 PolarHBondContact O-N 2.93Å; L113-V142 HydrophobicContact CB-CG2 4.48Å; L113-V142 HydrophobicContact CD1-CB 4.05Å; L113-V142 HydrophobicContact CD1-CG1 4.17Å; L113-V142 HydrophobicContact CD1-CG2 3.82Å; F117-V142 HydrophobicContact CD2-CB 4.36Å; F117-V142 HydrophobicContact CD2-CG1 3.93Å; F117-V142 HydrophobicContact CE2-CB 4.39Å; F117-V142 HydrophobicContact CE2-CG1 3.97Å; V126-V142 HydrophobicContact CB-CG1 4.37Å; V126-V142 HydrophobicContact CG1-CG1 4.45Å; V128-V142 HydrophobicContact CG1-CG2 4.28Å; V142-V145 HydrophobicContact CG1-CG2 3.93Å
143L95.9Very high88Confident3 Ų380 Ų802%0.01643%0.431CS..EExtended strand (participates in β ladder)trans-112.7-35.8178.2-56.4-179000112.7I40 F44 P61 I68 F117 T127I40-L143 HydrophobicContact CD1-CD2 3.92Å; F44-L143 HydrophobicContact CD1-CB 3.94Å; F44-L143 HydrophobicContact CD2-CD1 3.89Å; F44-L143 HydrophobicContact CE1-CB 3.96Å; F44-L143 HydrophobicContact CE1-CD1 4.29Å; F44-L143 HydrophobicContact CE2-CD1 3.52Å; F44-L143 HydrophobicContact CG-CB 4.23Å; F44-L143 HydrophobicContact CG-CD1 4.42Å; F44-L143 HydrophobicContact CZ-CB 4.26Å; F44-L143 HydrophobicContact CZ-CD1 3.74Å; P61-L143 HydrophobicContact CG-CD2 4.33Å; I68-L143 HydrophobicContact CD1-CD2 3.91Å; I68-L143 HydrophobicContact CG1-CD2 3.77Å; I68-L143 HydrophobicContact CG2-CD1 4.11Å; I68-L143 HydrophobicContact CG2-CD2 4.35Å; F117-L143 VanDerWaalsContact CZ-O 3.29Å; F117-L143 WeakPolarHBondContact CZ-O 3.06Å; T127-L143 PolarHBondContact O-N 2.98Å
144K94.6Very high86.7Confident111 Ų11182 Ų8248%0.48343%0.433SS..EExtended strand (participates in β ladder)trans-148.2143.4-178.9-178.2-178.5176.3-1760109.3F44 V126 T127F44-K144 HydrophobicContact CD1-CB 4.11Å; F44-K144 HydrophobicContact CE1-CB 4.07Å; V126-K144 WeakPolarHBondContact CA-O 3.08Å; T127-K144 PolarHBondContact N-O 3.16Å; T127-K144 PolarHBondContact O-N 3.14Å
145V93.9Very high85.7Confident34 Ų3483.9 Ų83.921%0.20644%0.439CS..EExtended strand (participates in β ladder)trans-114.8133.2174-176.60000107.5F117 V120 D124 V126 V142F117-V145 HydrophobicContact CB-CG2 4.03Å; F117-V145 HydrophobicContact CD1-CG2 3.73Å; F117-V145 HydrophobicContact CE1-CG2 4.33Å; F117-V145 HydrophobicContact CG-CG2 3.86Å; V120-V145 HydrophobicContact CG2-CB 4.41Å; V120-V145 HydrophobicContact CG2-CG1 4.02Å; V120-V145 HydrophobicContact CG2-CG2 3.6Å; D124-V145 HydrophobicContact CB-CG1 4.27Å; V126-V145 HydrophobicContact CG1-CG1 4.28Å; V126-V145 HydrophobicContact CG1-CG2 4.16Å; V142-V145 HydrophobicContact CG1-CG2 3.93Å
146T92.2Very high84.7Confident58 Ų5884.1 Ų84.136%0.35643%0.433SS..EExtended strand (participates in β ladder)trans-119121.7174.1-50.60000107.4I125 A148I125-T146 PolarHBondContact N-O 3.11Å; I125-T146 WeakPolarHBondContact O-CA 3.4Å; I125-T146 PolarHBondContact O-N 3.13Å; I125-T146 VanDerWaalsContact O-O 3.09Å; T146-A148 PolarHBondContact O-N 3.31Å
147K89.9Confident83.7Confident111 Ų11182 Ų8248%0.48342%0.424SS..  trans-68.1128-177.5-67.4-68.4174.8-171.40110.8D119 D124D119-K147 PolarHBondContact O-NZ 3.1Å; D124-K147 IonicContact OD1-NZ 3.46Å; D124-K147 IonicContact OD2-NZ 2.66Å; D124-K147 PolarHBondContact OD2-NZ 3.36Å
148A82.3Confident82.2Confident35 Ų3583 Ų8329%0.28942%0.421SS..  trans-92.7144.4175.100000110.3G123 D124 T146 G150G123-A148 WeakPolarHBondContact O-CB 3.08Å; D124-A148 PolarHBondContact OD1-N 3.17Å; T146-A148 PolarHBondContact O-N 3.31Å; A148-G150 PolarHBondContact O-N 3.47Å; A148-G150 VanDerWaalsContact O-N 3.1Å
149A71.2Confident81.5Confident120 Ų12086.7 Ų86.799%0.99244%0.44SS*.SBendtrans-75.19.1-176.200000114.7
150G65.7Low80.6Confident48 Ų4883.8 Ų83.850%0.49544%0.435SS..  trans169.1162174.800000116.3A148 K152A148-G150 PolarHBondContact O-N 3.47Å; A148-G150 VanDerWaalsContact O-N 3.1Å; G150-K152 PolarHBondContact O-N 3.46Å
151T63.7Low79.6Confident120 Ų12086.9 Ų86.974%0.73645%0.452SS*.  trans-93.831.9-176.339.70000113.4
152K64.2Low78.6Confident188 Ų18892 Ų9282%0.81748%0.479SS*.SBendtrans-81.9140.6173.2-68.2-173.7-178.2179.50109.6G150 Q154G150-K152 PolarHBondContact O-N 3.46Å; K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.16Å
153K62.6Low77.4Confident222 Ų22297.8 Ų97.897%0.96551%0.509SS*.  trans-62.793.3168.9-73.3-175.2-178.4173.80108.2
154Q70.4Confident76.2Confident126 Ų126104.1 Ų104.159%0.58954%0.542SS*.  trans-113.4126.7-177.7-164.4177.914.100109.2K152 Q156K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.16Å; Q154-Q156 HydrophobicContact CG-CG 4.03Å; Q154-Q156 PolarHBondContact O-N 2.71Å
155F75.2Confident74.9Confident69 Ų69103.6 Ų103.630%0.30355%0.546SS..  trans-76.8109.8165.4177-89.7000107.3D91 L93 K104 K157D91-F155 HydrophobicContact CB-CD2 3.63Å; D91-F155 HydrophobicContact CB-CE2 3.56Å; D91-F155 HydrophobicContact CB-CZ 4.44Å; L93-F155 HydrophobicContact CD2-CE1 4.3Å; L93-F155 HydrophobicContact CD2-CZ 3.74Å; L93-F155 HydrophobicContact CG-CZ 4.08Å; K104-F155 HydrophobicContact CB-CE2 3.98Å; K104-F155 HydrophobicContact CD-CD2 3.92Å; K104-F155 HydrophobicContact CD-CE2 3.87Å; K104-F155 HydrophobicContact CD-CG 4.29Å; K104-F155 HydrophobicContact CD-CZ 4.24Å; K104-F155 HydrophobicContact CG-CD2 4.3Å; K104-F155 HydrophobicContact CG-CE2 3.73Å; K104-F155 HydrophobicContact CG-CZ 3.94Å; F155-K157 HydrophobicContact CE1-CB 4.16Å
156Q75.4Confident73.4Confident72 Ų72108.9 Ų108.934%0.33657%0.572SS.*  trans-110.1120.9168.4-67.3-171.10.300107.7Q154 F158Q154-Q156 HydrophobicContact CG-CG 4.03Å; Q154-Q156 PolarHBondContact O-N 2.71Å; Q156-F158 PolarHBondContact O-N 3.46Å
157K75.5Confident71.9Confident147 Ų147113.2 Ų113.264%0.63959%0.59SS**  trans-68.8123.8176.4-179.7-175.9174.8-172.80108.1L93 F155L93-K157 HydrophobicContact CD1-CD 4.02Å; F155-K157 HydrophobicContact CE1-CB 4.16Å
158F66.2Low70.2Confident100 Ų100113.4 Ų113.444%0.43960%0.6SS.*  trans-910162.5-71-81.3000111.3V76 D91 I125 Q156V76-F158 HydrophobicContact CG2-CE2 4.17Å; V76-F158 HydrophobicContact CG2-CZ 4.21Å; D91-F158 PolarHBondContact O-N 2.72Å; I125-F158 HydrophobicContact CG2-CE1 4.41Å; I125-F158 HydrophobicContact CG2-CZ 4.36Å; Q156-F158 PolarHBondContact O-N 3.46Å

Retrieved 158 of 158 residues in 1073.3 ms (Link to these results)