A0A3Q2DEJ3_CYPVA Loading...

Purine-rich element binding protein Ab

AlphaFold DB , UniProt , Accession A0A3Q2DEJ3, Species CYPVA (Cyprinodon variegatus, Sheepshead minnow), Gene n/a, Length 281 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
1M45.5Very low39.9Very low253 Ų253143.9 Ų143.9100%1.24684%0.842SS**  095.30-86.7178.5163.700107.7
2A40.3Very low39.4Very low89 Ų89137.4 Ų137.474%0.73683%0.828SS**  trans-169.4137.7168.200000108.4
3D40.6Very low39.5Very low137 Ų137137.2 Ų137.273%0.73383%0.831SS**  trans74.5119.4147.5-69.1-57.4000124.2
4R43.4Very low39.3Very low233 Ų233139.5 Ų139.588%0.87983%0.834SS**  trans52.2117.9130.2-72.6177.5167170.5-2119.5
5D41.2Very low39.2Very low168 Ų168136.3 Ų136.390%0.89883%0.829SS**  trans-126.3143.9155.7-154.63.7000111.5
6S45.1Very low39Very low109 Ų109131.6 Ų131.676%0.76282%0.817SS**  trans-115.8144.7-165.5-69.60000112.6
7G35.5Very low39.1Very low65 Ų65131.7 Ų131.767%0.6782%0.82SS**  trans79.4110.8150.500000117.2
8S41.1Very low39Very low117 Ų117128.1 Ų128.182%0.81881%0.813SS**  5512982.669.80000113.2
9D35.6Very low39Very low143 Ų143127.9 Ų127.977%0.76582%0.815SS**  cis-169.4172.940.2-150.4-13.7000112.4
10H38.6Very low39.5Very low180 Ų180128.9 Ų128.983%0.83381%0.813SS**  trans-69.3138.4-163-67.450.1000116.5
11G32.4Very low39.8Very low89 Ų89127.1 Ų127.192%0.91880%0.803SS**  trans-120.799.9160.400000111
12G33.2Very low39.7Very low66 Ų66122.1 Ų122.168%0.6879%0.789SS**  trans-143.5153.1173.700000110.4
13P40.7Very low39.8Very low134 Ų134120.5 Ų120.587%0.8778%0.782SS**  trans-84.9147.5-131.531.3-35.3000115.6
14I37.2Very low39.9Very low170 Ų170116.7 Ų116.787%0.87277%0.769SS**  trans-71.8136.6171-66.1170.6000109.8
15A37.5Very low39.8Very low91 Ų91114.4 Ų114.475%0.75277%0.771SS**  trans-45.4137-18000000115
16G35.4Very low39.6Very low62 Ų62108.3 Ų108.364%0.63975%0.747SS**PPolyproline II helixtrans-65.5157.9169.700000112.6G18G16-G18 PolarHBondContact O-N 3.26Å
17P41.8Very low39.2Very low133 Ų133106.2 Ų106.286%0.86474%0.737SS**PPolyproline II helixtrans-68.4125.5-177.928.7-31.2000109.5S19P17-S19 PolarHBondContact O-N 2.98Å
18G36.1Very low39.3Very low67 Ų67110.6 Ų110.669%0.69174%0.742SS**PPolyproline II helixtrans-51.5134.517900000112.8G16 L20G16-G18 PolarHBondContact O-N 3.26Å; G18-L20 PolarHBondContact O-N 2.96Å
19S40.5Very low39.1Very low124 Ų124107.7 Ų107.787%0.86772%0.722SS**  trans-45.1111.2162.315.60000110.9P17P17-S19 PolarHBondContact O-N 2.98Å
20L47.8Very low39.2Very low147 Ų147110.6 Ų110.677%0.7772%0.722SS**  trans-61.1137.4168.3-75.7150.4000109.6G18G18-L20 PolarHBondContact O-N 2.96Å
21P46.2Very low39.3Very low93 Ų93108.9 Ų108.960%0.60472%0.718SS**  trans-63.8141.2175.925-31.4000110.6G23P21-G23 PolarHBondContact O-N 3.02Å
22P43.2Very low39.8Very low147 Ų147112 Ų11296%0.95571%0.709SS**THydrogen-bonded Turntrans-72.780.5178.130.5-32.2000109.1
23G43.1Very low40.4Very low56 Ų56116.1 Ų116.158%0.57771%0.71SS**THydrogen-bonded Turntrans-171.9-22.5-17800000113.3P21 G26P21-G23 PolarHBondContact O-N 3.02Å; G23-G26 PolarHBondContact O-N 3.5Å
24A41.7Very low41.3Very low57 Ų57115 Ų11547%0.47170%0.697SS.*Hα-helixtrans-75.1-24.5179.700000114G26A24-G26 VanDerWaalsContact C-N 3.33Å
25M42.5Very low43.2Very low184 Ų184109.3 Ų109.391%0.90667%0.67SS**Hα-helixtrans-75.5-18.2174.8-99.3-177.8154.800113.6
26G35.6Very low45.6Very low40 Ų40111 Ų11141%0.41266%0.662SS.*Hα-helixtrans-79.3-23.5178.400000114.1G23 A24 S29 R30G23-G26 PolarHBondContact O-N 3.5Å; A24-G26 VanDerWaalsContact C-N 3.33Å; G26-S29 PolarHBondContact O-N 3.06Å; G26-R30 PolarHBondContact O-N 2.91Å
27A38.4Very low48.3Very low66 Ų66112.7 Ų112.755%0.54565%0.654SS.*Hα-helixtrans-76.1-28.7-175.900000113.4
28M36.3Very low50.7Low156 Ų156108.5 Ų108.577%0.76862%0.624SS**THydrogen-bonded Turntrans-81.1-17.7174.5-71.7-161.4-104.500113.4
29S37.8Very low53.5Low57 Ų57106.1 Ų106.140%0.39960%0.597SS.*THydrogen-bonded Turntrans-85.4-33176.6-172.40000112.6G26 L31 Q32G26-S29 PolarHBondContact O-N 3.06Å; S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 3.29Å; S29-Q32 PolarHBondContact O-N 2.89Å
30R37.5Very low56.1Low203 Ų203103.1 Ų103.177%0.76658%0.577SS**THydrogen-bonded Turntrans-63.3-23.8-178.3-83-171.7-179.4167.91.3115.3G26 Q32G26-R30 PolarHBondContact O-N 2.91Å; R30-Q32 VanDerWaalsContact C-N 3.32Å
31L39.8Very low58.5Low145 Ų145101.1 Ų101.176%0.75956%0.562SS**THydrogen-bonded Turntrans-78.3-12.1176.1-73.5167.8000113.9S29S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 3.29Å
32Q44.2Very low60.9Low153 Ų153101.6 Ų101.672%0.71555%0.552SS**THydrogen-bonded Turntrans-85-19.1175.3-77.6177.633.500113S29 R30 D34S29-Q32 PolarHBondContact O-N 2.89Å; R30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-D34 PolarHBondContact O-N 3.49Å
33H45.2Very low63.4Low153 Ų15394.7 Ų94.771%0.70851%0.506SS*.THydrogen-bonded Turntrans-80.9-7.5-175.8-77.1-70.6000115.3
34D59.6Low65.9Low111 Ų11195.7 Ų95.759%0.59450%0.499SS*.THydrogen-bonded Turntrans-99.58.9177.4-83.8-13.5000113.6Q32 N57Q32-D34 PolarHBondContact O-N 3.49Å; D34-N57 WeakPolarHBondContact O-CA 3.4Å
35T76.5Confident68.4Low50 Ų5093.3 Ų93.331%0.30748%0.478SS..  trans-115.9107.6178.7-55.90000110.1K55 Q56 N57 F62T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 4.02Å; T35-K55 HydrophobicContact CG2-CG 4.38Å; T35-Q56 CarbonylContact C-O 3.45Å; T35-Q56 WeakPolarHBondContact CA-O 3.39Å; T35-N57 HydrophobicContact CG2-CB 4.44Å; T35-F62 HydrophobicContact CG2-CE1 4.01Å; T35-F62 HydrophobicContact CG2-CZ 3.81Å
36E87.8Confident70.7Confident127 Ų12789.4 Ų89.459%0.59346%0.457SS*.EExtended strand (participates in β ladder)trans-82139.4173.9-173.3176-176.100110L38 K55 Q56E36-L38 HydrophobicContact CG-CD2 4.23Å; E36-K55 CarbonylContact O-C 3.52Å; E36-K55 WeakPolarHBondContact O-CA 3.41Å; E36-Q56 PolarHBondContact N-O 3.15Å; E36-Q56 PolarHBondContact O-N 3.5Å
37E93Very high73.2Confident97 Ų9793 Ų9345%0.45347%0.467SS..EExtended strand (participates in β ladder)trans-96.2116.4171.8-174.2171.512100108.8S40 K55E37-S40 WeakPolarHBondContact OE1-CB 3.36Å; E37-K55 HydrophobicContact CB-CG 4.47Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 WeakPolarHBondContact OE2-CE 3.43Å; E37-K55 IonicContact OE2-NZ 2.84Å; E37-K55 PolarHBondContact OE2-NZ 2.91Å
38L91.4Very high75.8Confident45 Ų4591.5 Ų91.524%0.23645%0.449CS..EExtended strand (participates in β ladder)trans-87.6-40.2-177.2-59.6-179.1000111.5E36 V54 Q56 R61 Y183E36-L38 HydrophobicContact CG-CD2 4.23Å; L38-V54 HydrophobicContact CB-CG1 4.3Å; L38-V54 HydrophobicContact CD1-CG1 4.19Å; L38-V54 PolarHBondContact N-O 3.08Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.36Å; L38-Q56 HydrophobicContact CG-CB 4.11Å; L38-R61 HydrophobicContact CD1-CG 4.11Å; L38-Y183 HydrophobicContact CB-CD1 3.96Å; L38-Y183 HydrophobicContact CB-CE1 3.92Å; L38-Y183 HydrophobicContact CD1-CD1 4.18Å
39A95Very high78.7Confident17 Ų1790.1 Ų90.114%0.1444%0.435CS..EExtended strand (participates in β ladder)trans-152.5150178.200000110.7D53 V54 L179 Y183A39-D53 CarbonylContact O-C 3.58Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; A39-V54 HydrophobicContact CB-CB 4.31Å; A39-V54 PolarHBondContact N-O 3.41Å; A39-V54 PolarHBondContact O-N 3.4Å; A39-L179 HydrophobicContact CB-CD2 3.85Å; A39-Y183 HydrophobicContact CB-CD2 4Å; A39-Y183 HydrophobicContact CB-CE1 4.32Å; A39-Y183 HydrophobicContact CB-CE2 3.42Å; A39-Y183 VanDerWaalsContact CB-CE2 3.42Å
40S95.8Very high81.5Confident62 Ų6287.4 Ų87.443%0.43442%0.416SS..EExtended strand (participates in β ladder)trans-133.5131.1168.5-176.40000109.6E37 L52 D53E37-S40 WeakPolarHBondContact OE1-CB 3.36Å; S40-L52 WeakPolarHBondContact CA-O 3.36Å; S40-D53 WeakPolarHBondContact CB-OD1 3.48Å; S40-D53 PolarHBondContact OG-OD1 3.48Å
41K96.9Very high84.4Confident104 Ų10480.9 Ų80.945%0.45239%0.392SS..EExtended strand (participates in β ladder)trans-122.7127.3174.2-177.464.1175.9-177.40109.3V43 L52 A175 L179K41-V43 HydrophobicContact CG-CG2 4.4Å; K41-L52 HydrophobicContact CB-CB 4.41Å; K41-L52 PolarHBondContact N-O 3.16Å; K41-L52 PolarHBondContact O-N 3.36Å; K41-A175 HydrophobicContact CG-CB 3.98Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.47Å; K41-L179 HydrophobicContact CB-CG 4.49Å
42R96.7Very high87.1Confident104 Ų10474 Ų7439%0.39236%0.356SS..EExtended strand (participates in β ladder)trans-97136.4171.7-179.1175.3164.9-169.6-17.1110.5D44 F50 Y51R42-D44 IonicContact CZ-OD1 2.82Å; R42-D44 IonicContact CZ-OD2 3.6Å; R42-D44 IonicContact NE-OD1 2.67Å; R42-D44 PolarHBondContact NE-OD1 3.08Å; R42-D44 IonicContact NE-OD2 3.51Å; R42-D44 PolarHBondContact NE-OD2 3.15Å; R42-D44 IonicContact NH2-OD1 3.34Å; R42-D44 PolarHBondContact NH2-OD1 3.4Å; R42-D44 IonicContact NH2-OD2 3.64Å; R42-D44 PolarHBondContact NH2-OD2 3.43Å; R42-F50 CarbonylContact C-O 3.6Å; R42-F50 VanDerWaalsContact CA-O 3.3Å; R42-F50 WeakPolarHBondContact CA-O 3.41Å; R42-Y51 HydrophobicContact CB-CD1 4.27Å; R42-Y51 HydrophobicContact CB-CE1 4.3Å; R42-Y51 HydrophobicContact CG-CD1 4.35Å; R42-Y51 HydrophobicContact CG-CE1 4.07Å
43V96.5Very high89.6Confident1 Ų167.6 Ų67.61%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-128.5120174.8-171.40000108.1K41 I45 F50 L52 E171 A175K41-V43 HydrophobicContact CG-CG2 4.4Å; V43-I45 HydrophobicContact CG1-CD1 3.93Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; V43-F50 HydrophobicContact CB-CB 4.42Å; V43-F50 PolarHBondContact N-O 2.85Å; V43-F50 PolarHBondContact O-N 3.24Å; V43-L52 HydrophobicContact CG2-CD1 4.06Å; V43-E171 HydrophobicContact CG1-CB 4.29Å; V43-E171 HydrophobicContact CG1-CG 3.79Å; V43-A175 HydrophobicContact CG2-CB 3.7Å
44D95.1Very high92Very high78 Ų7860.3 Ų60.342%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-102.1114.8-178.9-74.1-19.3000109.2R42 R49R42-D44 IonicContact CZ-OD1 2.82Å; R42-D44 IonicContact CZ-OD2 3.6Å; R42-D44 IonicContact NE-OD1 2.67Å; R42-D44 PolarHBondContact NE-OD1 3.08Å; R42-D44 IonicContact NE-OD2 3.51Å; R42-D44 PolarHBondContact NE-OD2 3.15Å; R42-D44 IonicContact NH2-OD1 3.34Å; R42-D44 PolarHBondContact NH2-OD1 3.4Å; R42-D44 IonicContact NH2-OD2 3.64Å; R42-D44 PolarHBondContact NH2-OD2 3.43Å; D44-R49 WeakPolarHBondContact OD1-CB 3.39Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å
45I94.1Very high93.7Very high6 Ų656.6 Ų56.63%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-125.3112.5-175.6-52.5169.9000108.5V43 N47 K48 F50 P165 F172V43-I45 HydrophobicContact CG1-CD1 3.93Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; I45-N47 PolarHBondContact O-N 3.49Å; I45-K48 PolarHBondContact N-O 2.98Å; I45-K48 PolarHBondContact O-N 2.93Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.18Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; I45-P165 HydrophobicContact CB-CG 4.43Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; I45-F172 HydrophobicContact CD1-CB 4.34Å; I45-F172 HydrophobicContact CD1-CD2 4.31Å
46Q90.3Very high94.1Very high102 Ų10257.8 Ų57.848%0.47727%0.273SS..THydrogen-bonded Turntrans51.7-124.2-172.9-57.1177.6-14.300110.8K48 P165Q46-K48 VanDerWaalsContact C-N 3.32Å; Q46-P165 HydrophobicContact CG-CB 4.23Å; Q46-P165 HydrophobicContact CG-CG 4.38Å
47N89.3Confident93.7Very high116 Ų11653.7 Ų53.762%0.6226%0.255SS*.THydrogen-bonded Turntrans-95.922.7178.8-57.7-20.4000112.5I45 A70I45-N47 PolarHBondContact O-N 3.49Å; N47-A70 HydrophobicContact CB-CB 4.02Å; N47-A70 PolarHBondContact O-N 3.04Å; N47-A70 VanDerWaalsContact O-N 3.17Å
48K93.8Very high92.6Very high35 Ų3554.3 Ų54.315%0.15227%0.265CS..EExtended strand (participates in β ladder)trans-123145.9178.1-61.7-171178.8-166.30110.5I45 Q46 F50 E67 V68 A163 P165I45-K48 PolarHBondContact N-O 2.98Å; I45-K48 PolarHBondContact O-N 2.93Å; Q46-K48 VanDerWaalsContact C-N 3.32Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.73Å; K48-F50 HydrophobicContact CB-CZ 4.19Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.02Å; K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.34Å; K48-E67 VanDerWaalsContact CE-OE1 3.29Å; K48-E67 WeakPolarHBondContact CE-OE1 3.4Å; K48-E67 IonicContact NZ-OE1 3.22Å; K48-E67 PolarHBondContact NZ-OE1 2.9Å; K48-V68 WeakPolarHBondContact CA-O 3.31Å; K48-A163 PolarHBondContact NZ-O 2.96Å; K48-P165 HydrophobicContact CD-CG 4.41Å
49R95.7Very high91.5Very high126 Ų12659.5 Ų59.548%0.47529%0.286SS..EExtended strand (participates in β ladder)trans-117.9126175.7-51.9-179.2175166.90108.6D44 Y51 V68D44-R49 WeakPolarHBondContact OD1-CB 3.39Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å; R49-Y51 HydrophobicContact CB-CE2 4.05Å; R49-V68 HydrophobicContact CB-CB 4.42Å; R49-V68 PolarHBondContact N-O 3.2Å; R49-V68 PolarHBondContact O-N 2.79Å
50F97.4Very high90.6Very high0 Ų060.2 Ų60.20%030%0.295CS..EExtended strand (participates in β ladder)trans-108.3131.6176.5-64.2-90.3000109.5R42 V43 I45 K48 L52 A66 E67 L164 F172R42-F50 CarbonylContact C-O 3.6Å; R42-F50 VanDerWaalsContact CA-O 3.3Å; R42-F50 WeakPolarHBondContact CA-O 3.41Å; V43-F50 HydrophobicContact CB-CB 4.42Å; V43-F50 PolarHBondContact N-O 2.85Å; V43-F50 PolarHBondContact O-N 3.24Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.18Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.73Å; K48-F50 HydrophobicContact CB-CZ 4.19Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.02Å; F50-L52 HydrophobicContact CB-CD1 4.1Å; F50-A66 CarbonylContact C-O 3.52Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.49Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.29Å; F50-E67 HydrophobicContact CE1-CB 3.69Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.96Å; F50-L164 HydrophobicContact CD1-CD1 4.45Å; F50-L164 HydrophobicContact CE1-CD1 3.73Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.5Å; F50-L164 HydrophobicContact CZ-CD1 4.17Å; F50-L164 HydrophobicContact CZ-CG 3.98Å; F50-F172 HydrophobicContact CB-CD2 4.35Å; F50-F172 HydrophobicContact CB-CE2 3.92Å; F50-F172 HydrophobicContact CD1-CE2 4.04Å; F50-F172 HydrophobicContact CG-CD2 4.35Å; F50-F172 HydrophobicContact CG-CE2 4.02Å
51Y97.6Very high90.3Very high67 Ų6760.7 Ų60.726%0.26329%0.287SS..EExtended strand (participates in β ladder)trans-112.7121.3172.9-59.7-95.8000108R42 R49 I65 A66 V68R42-Y51 HydrophobicContact CB-CD1 4.27Å; R42-Y51 HydrophobicContact CB-CE1 4.3Å; R42-Y51 HydrophobicContact CG-CD1 4.35Å; R42-Y51 HydrophobicContact CG-CE1 4.07Å; R49-Y51 HydrophobicContact CB-CE2 4.05Å; Y51-I65 CarbonylContact O-C 3.49Å; Y51-I65 VanDerWaalsContact O-CA 3.31Å; Y51-I65 WeakPolarHBondContact O-CA 3.49Å; Y51-A66 PolarHBondContact N-O 3.06Å; Y51-A66 PolarHBondContact O-N 3.43Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å
52L97.6Very high90.1Very high0 Ų057.3 Ų57.30%027%0.273CS..EExtended strand (participates in β ladder)trans-107.898.9177.5-72.371.9000106.7S40 K41 V43 F50 L63 I65 F172 A175 L176 L179S40-L52 WeakPolarHBondContact CA-O 3.36Å; K41-L52 HydrophobicContact CB-CB 4.41Å; K41-L52 PolarHBondContact N-O 3.16Å; K41-L52 PolarHBondContact O-N 3.36Å; V43-L52 HydrophobicContact CG2-CD1 4.06Å; F50-L52 HydrophobicContact CB-CD1 4.1Å; L52-L63 HydrophobicContact CB-CD1 4.25Å; L52-I65 HydrophobicContact CG-CG1 4.49Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.65Å; L52-F172 HydrophobicContact CD1-CZ 3.97Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.36Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.28Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; L52-A175 HydrophobicContact CD2-CB 4.43Å; L52-L176 HydrophobicContact CD2-CB 4.33Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å
53D96.9Very high90Very high18 Ų1852.4 Ų52.410%0.09625%0.254CS..EExtended strand (participates in β ladder)trans-104115.7-178.4-46.4-40.9000109.5A39 S40 K55 K64A39-D53 CarbonylContact O-C 3.58Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; S40-D53 WeakPolarHBondContact CB-OD1 3.48Å; S40-D53 PolarHBondContact OG-OD1 3.48Å; D53-K55 HydrophobicContact CB-CD 4.39Å; D53-K55 VanDerWaalsContact CB-CE 3.43Å; D53-K55 HydrophobicContact CB-CG 4.16Å; D53-K64 HydrophobicContact CB-CB 4.46Å; D53-K64 PolarHBondContact N-O 3.45Å; D53-K64 PolarHBondContact O-N 3.22Å
54V95.5Very high89.9Confident0 Ų055.4 Ų55.40%027%0.267CS..EExtended strand (participates in β ladder)trans-81.5119.7167.6-1780000107.5L38 A39 R61 L63 L179 Y183L38-V54 HydrophobicContact CB-CG1 4.3Å; L38-V54 HydrophobicContact CD1-CG1 4.19Å; L38-V54 PolarHBondContact N-O 3.08Å; A39-V54 HydrophobicContact CB-CB 4.31Å; A39-V54 PolarHBondContact N-O 3.41Å; A39-V54 PolarHBondContact O-N 3.4Å; V54-R61 HydrophobicContact CG1-CG 3.71Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.94Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; V54-Y183 HydrophobicContact CG1-CG 4.24Å
55K93.8Very high90Very high34 Ų3451.7 Ų51.715%0.14825%0.248CC..EExtended strand (participates in β ladder)trans-125.9150.5-177.4-61.3-172.3-176.9-109.80110.3T35 E36 E37 D53 R61 F62T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 4.02Å; T35-K55 HydrophobicContact CG2-CG 4.38Å; E36-K55 CarbonylContact O-C 3.52Å; E36-K55 WeakPolarHBondContact O-CA 3.41Å; E37-K55 HydrophobicContact CB-CG 4.47Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 WeakPolarHBondContact OE2-CE 3.43Å; E37-K55 IonicContact OE2-NZ 2.84Å; E37-K55 PolarHBondContact OE2-NZ 2.91Å; D53-K55 HydrophobicContact CB-CD 4.39Å; D53-K55 VanDerWaalsContact CB-CE 3.43Å; D53-K55 HydrophobicContact CB-CG 4.16Å; K55-R61 CarbonylContact O-C 3.57Å; K55-R61 WeakPolarHBondContact O-CA 3.45Å; K55-F62 HydrophobicContact CB-CD1 4.4Å; K55-F62 HydrophobicContact CB-CD2 4.47Å; K55-F62 HydrophobicContact CB-CE1 3.77Å; K55-F62 HydrophobicContact CB-CE2 3.89Å; K55-F62 HydrophobicContact CB-CZ 3.52Å; K55-F62 HydrophobicContact CD-CE2 4.38Å; K55-F62 HydrophobicContact CD-CZ 4.26Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.42Å; K55-F62 WeakPolarHBondContact O-CD1 3.15Å; K55-F62 PolarHBondContact O-N 3.39Å; K55-F62 VanDerWaalsContact O-O 3.13Å
56Q86.5Confident90.1Very high75 Ų7552.5 Ų52.535%0.3526%0.255SS..EExtended strand (participates in β ladder)trans-123.5131.3176.8-178.3163.5-23.900109.3T35 E36 L38T35-Q56 CarbonylContact C-O 3.45Å; T35-Q56 WeakPolarHBondContact CA-O 3.39Å; E36-Q56 PolarHBondContact N-O 3.15Å; E36-Q56 PolarHBondContact O-N 3.5Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.36Å; L38-Q56 HydrophobicContact CG-CB 4.11Å
57N79.6Confident90.4Very high40 Ų4048.4 Ų48.421%0.21424%0.236CC..EExtended strand (participates in β ladder)trans-130.4-178.1170.865.226.9000109.6D34 T35 K59 G60 F62D34-N57 WeakPolarHBondContact O-CA 3.4Å; T35-N57 HydrophobicContact CG2-CB 4.44Å; N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.44Å; N57-K59 VanDerWaalsContact OD1-CB 3.24Å; N57-K59 WeakPolarHBondContact OD1-CB 3.5Å; N57-K59 PolarHBondContact OD1-N 3.35Å; N57-G60 PolarHBondContact N-O 3.43Å; N57-G60 VanDerWaalsContact N-O 3.08Å; N57-G60 PolarHBondContact O-N 3.25Å; N57-G60 PolarHBondContact OD1-N 3.08Å; N57-G60 PolarHBondContact OD1-O 3.07Å; N57-F62 HydrophobicContact CB-CE1 4.2Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.49Å
58V69.7Low90.6Very high110 Ų11044.7 Ų44.767%0.66722%0.217SC*.THydrogen-bonded Turntrans-58.1-14.9177.3-59.40000115
59K66.9Low90.3Very high155 Ų15543.8 Ų43.867%0.67422%0.218SC*.THydrogen-bonded Turntrans-92.7-7.6176.5-55.3-179.5-179.3174.40112.8N57 K213N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.44Å; N57-K59 VanDerWaalsContact OD1-CB 3.24Å; N57-K59 WeakPolarHBondContact OD1-CB 3.5Å; N57-K59 PolarHBondContact OD1-N 3.35Å; K59-K213 HydrophobicContact CG-CD 4.1Å
60G77.8Confident89.4Confident32 Ų3242 Ų4233%0.3323%0.23SC..EExtended strand (participates in β ladder)trans119.4-172.9-175.700000113N57N57-G60 PolarHBondContact N-O 3.43Å; N57-G60 VanDerWaalsContact N-O 3.08Å; N57-G60 PolarHBondContact O-N 3.25Å; N57-G60 PolarHBondContact OD1-N 3.08Å; N57-G60 PolarHBondContact OD1-O 3.07Å
61R88.1Confident88.3Confident72 Ų7245.2 Ų45.227%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-85.8142.6-179.2-166.3178.6-68.3162.1-0.8110.8L38 V54 K55 M81 Y183 G184 V185L38-R61 HydrophobicContact CD1-CG 4.11Å; V54-R61 HydrophobicContact CG1-CG 3.71Å; K55-R61 CarbonylContact O-C 3.57Å; K55-R61 WeakPolarHBondContact O-CA 3.45Å; R61-M81 HydrophobicContact CB-CG 4.07Å; R61-M81 HydrophobicContact CG-CG 3.98Å; R61-M81 HydrophobicContact CG-SD 4.34Å; R61-Y183 WeakPolarHBondContact CD-O 3.09Å; R61-Y183 VanDerWaalsContact NH1-C 3.3Å; R61-Y183 PolarHBondContact NH1-O 2.94Å; R61-G184 PolarHBondContact NH1-O 2.86Å; R61-V185 HydrophobicContact CB-CG2 4.1Å
62F92.3Very high87.3Confident32 Ų3244.4 Ų44.414%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-149.8157.2-179.967.3-85.9000111T35 K55 N57 K64 T78 L79T35-F62 HydrophobicContact CG2-CE1 4.01Å; T35-F62 HydrophobicContact CG2-CZ 3.81Å; K55-F62 HydrophobicContact CB-CD1 4.4Å; K55-F62 HydrophobicContact CB-CD2 4.47Å; K55-F62 HydrophobicContact CB-CE1 3.77Å; K55-F62 HydrophobicContact CB-CE2 3.89Å; K55-F62 HydrophobicContact CB-CZ 3.52Å; K55-F62 HydrophobicContact CD-CE2 4.38Å; K55-F62 HydrophobicContact CD-CZ 4.26Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.42Å; K55-F62 WeakPolarHBondContact O-CD1 3.15Å; K55-F62 PolarHBondContact O-N 3.39Å; K55-F62 VanDerWaalsContact O-O 3.13Å; N57-F62 HydrophobicContact CB-CE1 4.2Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.49Å; F62-K64 HydrophobicContact CE2-CB 4.38Å; F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.05Å; F62-T78 HydrophobicContact CG-CG2 4.49Å; F62-L79 WeakPolarHBondContact CB-O 3.44Å
63L95.1Very high86.7Confident2 Ų250.4 Ų50.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-103.3128.7176.5-176.871.8000110L52 V54 I65 T78 L79 M81 A84 L176 L179L52-L63 HydrophobicContact CB-CD1 4.25Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; L63-I65 HydrophobicContact CD2-CD1 4.13Å; L63-I65 HydrophobicContact CD2-CG1 4.02Å; L63-I65 HydrophobicContact CG-CG1 4.17Å; L63-T78 WeakPolarHBondContact O-CA 3.37Å; L63-L79 PolarHBondContact N-O 3.06Å; L63-L79 PolarHBondContact O-N 3.45Å; L63-M81 HydrophobicContact CB-SD 4.34Å; L63-A84 HydrophobicContact CD2-CB 4.19Å; L63-L176 HydrophobicContact CD2-CD1 3.28Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å
64K95.9Very high86.4Confident64 Ų6457.7 Ų57.728%0.27834%0.338SS..EExtended strand (participates in β ladder)trans-109.6120.8172-173.4-176.2176.5-167.80109.2D53 F62D53-K64 HydrophobicContact CB-CB 4.46Å; D53-K64 PolarHBondContact N-O 3.45Å; D53-K64 PolarHBondContact O-N 3.22Å; F62-K64 HydrophobicContact CE2-CB 4.38Å
65I96.8Very high86.2Confident0 Ų059.9 Ų59.90%035%0.354CS..EExtended strand (participates in β ladder)trans-105.4121176.5-55.5165.2000107.7Y51 L52 L63 R76 L77 L79 F87 I162 F172Y51-I65 CarbonylContact O-C 3.49Å; Y51-I65 VanDerWaalsContact O-CA 3.31Å; Y51-I65 WeakPolarHBondContact O-CA 3.49Å; L52-I65 HydrophobicContact CG-CG1 4.49Å; L63-I65 HydrophobicContact CD2-CD1 4.13Å; L63-I65 HydrophobicContact CD2-CG1 4.02Å; L63-I65 HydrophobicContact CG-CG1 4.17Å; I65-R76 CarbonylContact O-C 3.58Å; I65-R76 VanDerWaalsContact O-CA 3.26Å; I65-R76 WeakPolarHBondContact O-CA 3.2Å; I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.42Å; I65-L77 PolarHBondContact N-O 2.96Å; I65-L77 PolarHBondContact O-N 3.02Å; I65-L79 HydrophobicContact CD1-CD1 3.75Å; I65-L79 HydrophobicContact CD1-CG 4.35Å; I65-F87 HydrophobicContact CD1-CE1 4.21Å; I65-I162 HydrophobicContact CB-CD1 4.36Å; I65-I162 HydrophobicContact CD1-CD1 4.46Å; I65-I162 HydrophobicContact CG2-CD1 3.74Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.4Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.87Å
66A96.1Very high86.2Confident22 Ų2265.3 Ų65.318%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-112.1127172.600000110.3F50 Y51 S75F50-A66 CarbonylContact C-O 3.52Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.49Å; Y51-A66 PolarHBondContact N-O 3.06Å; Y51-A66 PolarHBondContact O-N 3.43Å; A66-S75 CarbonylContact C-O 3.44Å; A66-S75 WeakPolarHBondContact CA-O 3.37Å
67E95.3Very high86.5Confident17 Ų1761.7 Ų61.78%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-98129.3170.1177.3-174158.900109K48 F50 K74 S75 I162 A163K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.34Å; K48-E67 VanDerWaalsContact CE-OE1 3.29Å; K48-E67 WeakPolarHBondContact CE-OE1 3.4Å; K48-E67 IonicContact NZ-OE1 3.22Å; K48-E67 PolarHBondContact NZ-OE1 2.9Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.29Å; F50-E67 HydrophobicContact CE1-CB 3.69Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.96Å; E67-K74 WeakPolarHBondContact O-CA 3.36Å; E67-S75 PolarHBondContact N-O 3.44Å; E67-S75 PolarHBondContact O-N 3.42Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.07Å; E67-I162 VanDerWaalsContact OE2-CA 3.22Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.02Å; E67-A163 PolarHBondContact OE2-N 3.04Å
68V94.7Very high87.1Confident37 Ų3761.6 Ų61.622%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-119.7111.6170.7-174.40000108.4K48 R49 Y51 K74K48-V68 WeakPolarHBondContact CA-O 3.31Å; R49-V68 HydrophobicContact CB-CB 4.42Å; R49-V68 PolarHBondContact N-O 3.2Å; R49-V68 PolarHBondContact O-N 2.79Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å; V68-K74 HydrophobicContact CG2-CG 4.34Å
69G88.2Confident88.1Confident16 Ų1656.5 Ų56.517%0.16533%0.326CS..EExtended strand (participates in β ladder)trans-85162.3176.300000113.2G71 G72 N73G69-G71 PolarHBondContact O-N 3.46Å; G69-G71 VanDerWaalsContact O-N 3.11Å; G69-G72 PolarHBondContact O-N 3.35Å; G69-N73 PolarHBondContact N-O 2.95Å
70A74.8Confident89.3Confident88 Ų8851.2 Ų51.273%0.72731%0.309SS*.THydrogen-bonded Turntrans-52.7-31177.800000114.9N47 G72N47-A70 HydrophobicContact CB-CB 4.02Å; N47-A70 PolarHBondContact O-N 3.04Å; N47-A70 VanDerWaalsContact O-N 3.17Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.29Å
71G75.4Confident89.9Confident68 Ų6850.1 Ų50.170%0.70130%0.295SS*.THydrogen-bonded Turntrans-85.712.7178.400000114.9G69 N73G69-G71 PolarHBondContact O-N 3.46Å; G69-G71 VanDerWaalsContact O-N 3.11Å; G71-N73 PolarHBondContact O-N 3.47Å
72G76.4Confident89.9Confident51 Ų5148.4 Ų48.453%0.52629%0.294SS..SBendtrans78-3.5-17800000114.8G69 A70 K74G69-G72 PolarHBondContact O-N 3.35Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.29Å; G72-K74 PolarHBondContact O-N 3.13Å
73N84.9Confident89.8Confident126 Ų12647 Ų4767%0.67429%0.288SS*.  trans-61.6124.8173.8-69.1-19.2000110G69 G71G69-N73 PolarHBondContact N-O 2.95Å; G71-N73 PolarHBondContact O-N 3.47Å
74K90.4Very high89.8Confident170 Ų17046.9 Ų46.974%0.73929%0.288SS*.EExtended strand (participates in β ladder)trans-111.3127.3177.6-61.2-176.8-174.91770109.4E67 V68 G72E67-K74 WeakPolarHBondContact O-CA 3.36Å; V68-K74 HydrophobicContact CG2-CG 4.34Å; G72-K74 PolarHBondContact O-N 3.13Å
75S92.1Very high89.6Confident47 Ų4746.3 Ų46.333%0.32929%0.289SS..EExtended strand (participates in β ladder)trans-124.2153172.9-58.30000109.3A66 E67 T161A66-S75 CarbonylContact C-O 3.44Å; A66-S75 WeakPolarHBondContact CA-O 3.37Å; E67-S75 PolarHBondContact N-O 3.44Å; E67-S75 PolarHBondContact O-N 3.42Å; S75-T161 WeakPolarHBondContact CB-O 3.43Å
76R92.6Very high89.5Confident147 Ų14749.4 Ų49.456%0.55530%0.304SS*.EExtended strand (participates in β ladder)trans-140.1148.7-177.368.7-178.8-178.3-176.3-0.5110.8I65 Q160I65-R76 CarbonylContact O-C 3.58Å; I65-R76 VanDerWaalsContact O-CA 3.26Å; I65-R76 WeakPolarHBondContact O-CA 3.2Å; R76-Q160 VanDerWaalsContact O-CB 3.28Å; R76-Q160 WeakPolarHBondContact O-CB 3.42Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å
77L93.6Very high89.4Confident0 Ų048.7 Ų48.70%030%0.296CS..EExtended strand (participates in β ladder)trans-133.9142.8172.9-176.664.3000108.2I65 L79 Y129 I144 Q146 Q160 I162I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.42Å; I65-L77 PolarHBondContact N-O 2.96Å; I65-L77 PolarHBondContact O-N 3.02Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.42Å; L77-L79 HydrophobicContact CG-CD2 3.78Å; L77-L79 HydrophobicContact CG-CG 4.32Å; L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.09Å; L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; L77-Q146 HydrophobicContact CD1-CB 3.58Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; L77-Q160 HydrophobicContact CD1-CB 4.25Å; L77-I162 HydrophobicContact CB-CD1 4.13Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.16Å; L77-I162 HydrophobicContact CD2-CD1 3.73Å; L77-I162 HydrophobicContact CD2-CG1 4.1Å
78T91.6Very high89.5Confident37 Ų3751.1 Ų51.123%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-127.7122.6177.6-53.10000109.4F62 L63 Y129 Q146F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.05Å; F62-T78 HydrophobicContact CG-CG2 4.49Å; L63-T78 WeakPolarHBondContact O-CA 3.37Å; T78-Y129 PolarHBondContact O-OH 2.8Å; T78-Q146 PolarHBondContact O-OE1 3.44Å
79L92.1Very high89.5Confident4 Ų453 Ų532%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-116.1144.2-176.3-52-176.7000109.6F62 L63 I65 L77 V83 F87 Y129F62-L79 WeakPolarHBondContact CB-O 3.44Å; L63-L79 PolarHBondContact N-O 3.06Å; L63-L79 PolarHBondContact O-N 3.45Å; I65-L79 HydrophobicContact CD1-CD1 3.75Å; I65-L79 HydrophobicContact CD1-CG 4.35Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.42Å; L77-L79 HydrophobicContact CG-CD2 3.78Å; L77-L79 HydrophobicContact CG-CG 4.32Å; L79-V83 HydrophobicContact CB-CB 4.44Å; L79-V83 HydrophobicContact CB-CG1 4.1Å; L79-V83 HydrophobicContact CD1-CG1 4.46Å; L79-V83 HydrophobicContact CD2-CG1 3.86Å; L79-V83 HydrophobicContact CG-CG1 4.35Å; L79-F87 HydrophobicContact CD1-CB 4.48Å; L79-F87 HydrophobicContact CD1-CD1 3.78Å; L79-F87 HydrophobicContact CD1-CE1 4.4Å; L79-F87 HydrophobicContact CD1-CG 4.34Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.25Å
80S90.5Very high89.9Confident44 Ų4454.9 Ų54.931%0.30832%0.316SS..EExtended strand (participates in β ladder)trans-68.3159.816062.70000109.2S82 V83 A84S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.31Å; S80-S82 PolarHBondContact OG-OG 3.46Å; S80-V83 PolarHBondContact O-N 3.31Å; S80-V83 WeakPolarHBondContact OG-CB 3.44Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.32Å; S80-V83 PolarHBondContact OG-N 2.97Å; S80-A84 PolarHBondContact O-N 3.21Å
81M90.5Very high90.9Very high9 Ų950.7 Ų50.74%0.04428%0.282CS..Hα-helixtrans-61.3-38.7175.9-69.9-54.3-61.800112R61 L63 V83 A84 V85 I180 V185R61-M81 HydrophobicContact CB-CG 4.07Å; R61-M81 HydrophobicContact CG-CG 3.98Å; R61-M81 HydrophobicContact CG-SD 4.34Å; L63-M81 HydrophobicContact CB-SD 4.34Å; M81-V83 VanDerWaalsContact C-N 3.33Å; M81-V83 PolarHBondContact O-N 3.34Å; M81-A84 WeakPolarHBondContact O-CA 3.14Å; M81-A84 VanDerWaalsContact O-CB 3.32Å; M81-A84 WeakPolarHBondContact O-CB 3.46Å; M81-A84 PolarHBondContact O-N 3.09Å; M81-V85 PolarHBondContact O-N 3.3Å; M81-V85 VanDerWaalsContact O-N 3.11Å; M81-I180 HydrophobicContact CE-CG1 4.18Å; M81-V185 HydrophobicContact CB-CG2 3.83Å; M81-V185 HydrophobicContact CG-CG2 3.87Å
82S88.3Confident91.9Very high35 Ų3548.1 Ų48.125%0.24526%0.255CS..Hα-helixtrans-57.1-44.7174.371.40000112.5S80 A84 V85 E86S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.31Å; S80-S82 PolarHBondContact OG-OG 3.46Å; S82-A84 VanDerWaalsContact C-N 3.29Å; S82-A84 PolarHBondContact O-N 3.02Å; S82-V85 PolarHBondContact O-N 3.35Å; S82-E86 PolarHBondContact O-N 2.9Å
83V91.6Very high92.9Very high3 Ų348.9 Ų48.92%0.01825%0.247CC..Hα-helixtrans-68.7-31.2177.5166.50000111.1L79 S80 M81 V85 F87 L122 R124 Y129L79-V83 HydrophobicContact CB-CB 4.44Å; L79-V83 HydrophobicContact CB-CG1 4.1Å; L79-V83 HydrophobicContact CD1-CG1 4.46Å; L79-V83 HydrophobicContact CD2-CG1 3.86Å; L79-V83 HydrophobicContact CG-CG1 4.35Å; S80-V83 PolarHBondContact O-N 3.31Å; S80-V83 WeakPolarHBondContact OG-CB 3.44Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.32Å; S80-V83 PolarHBondContact OG-N 2.97Å; M81-V83 VanDerWaalsContact C-N 3.33Å; M81-V83 PolarHBondContact O-N 3.34Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-F87 WeakPolarHBondContact O-CB 3.22Å; V83-F87 PolarHBondContact O-N 2.8Å; V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.73Å; V83-L122 HydrophobicContact CG2-CD2 4.21Å; V83-R124 HydrophobicContact CG2-CB 3.69Å; V83-R124 HydrophobicContact CG2-CG 3.78Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 4Å; V83-Y129 HydrophobicContact CG2-CE2 4.3Å
84A94.1Very high93.4Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-65.4-37.5176.200000112.1L63 S80 M81 S82 F87 R88 L176 I180L63-A84 HydrophobicContact CD2-CB 4.19Å; S80-A84 PolarHBondContact O-N 3.21Å; M81-A84 WeakPolarHBondContact O-CA 3.14Å; M81-A84 VanDerWaalsContact O-CB 3.32Å; M81-A84 WeakPolarHBondContact O-CB 3.46Å; M81-A84 PolarHBondContact O-N 3.09Å; S82-A84 VanDerWaalsContact C-N 3.29Å; S82-A84 PolarHBondContact O-N 3.02Å; A84-F87 PolarHBondContact O-N 3.21Å; A84-R88 PolarHBondContact O-N 3.47Å; A84-L176 HydrophobicContact CB-CD1 4.3Å; A84-I180 HydrophobicContact CB-CD1 4.2Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.26Å
85V92.3Very high93.7Very high51 Ų5135.8 Ų35.831%0.30919%0.185SC..Hα-helixtrans-61.1-55.3173.9179.90000110.7M81 S82 V83 F87 R88 D89 I180M81-V85 PolarHBondContact O-N 3.3Å; M81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 3.35Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V85-F87 PolarHBondContact O-N 3.08Å; V85-R88 WeakPolarHBondContact O-CB 3.43Å; V85-R88 PolarHBondContact O-N 3.5Å; V85-D89 PolarHBondContact O-N 3.46Å; V85-I180 HydrophobicContact CG2-CD1 4.44Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å
86E93.6Very high93.9Very high66 Ų6639.6 Ų39.631%0.30820%0.198SC..Hα-helixtrans-59.8-39.7178.4-63.7-178.5-103.400111.1S82 R88 D89 Y90 L122S82-E86 PolarHBondContact O-N 2.9Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.45Å; E86-D89 PolarHBondContact O-N 3.18Å; E86-Y90 HydrophobicContact CB-CE2 4.38Å; E86-Y90 WeakPolarHBondContact O-CD2 3.11Å; E86-Y90 PolarHBondContact O-N 3.39Å; E86-L122 HydrophobicContact CB-CD2 3.96Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.42Å
87F95.1Very high94Very high6 Ų635 Ų353%0.02618%0.182CC..Hα-helixtrans-62.5-38.2176.7-178.7-131.5000112.7I65 L79 V83 A84 V85 D89 Y90 L91 M131 I144 F172 L176I65-F87 HydrophobicContact CD1-CE1 4.21Å; L79-F87 HydrophobicContact CD1-CB 4.48Å; L79-F87 HydrophobicContact CD1-CD1 3.78Å; L79-F87 HydrophobicContact CD1-CE1 4.4Å; L79-F87 HydrophobicContact CD1-CG 4.34Å; V83-F87 WeakPolarHBondContact O-CB 3.22Å; V83-F87 PolarHBondContact O-N 2.8Å; A84-F87 PolarHBondContact O-N 3.21Å; V85-F87 PolarHBondContact O-N 3.08Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.93Å; F87-Y90 PolarHBondContact O-N 2.9Å; F87-L91 HydrophobicContact CD1-CD1 4.36Å; F87-L91 HydrophobicContact CD2-CG 4.35Å; F87-L91 HydrophobicContact CE1-CD1 4.02Å; F87-L91 HydrophobicContact CE2-CD1 4.37Å; F87-L91 HydrophobicContact CE2-CD2 4.06Å; F87-L91 HydrophobicContact CE2-CG 4Å; F87-L91 HydrophobicContact CZ-CD1 4.02Å; F87-L91 HydrophobicContact CZ-CD2 4.05Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.5Å; F87-L91 PolarHBondContact O-N 3.34Å; F87-M131 HydrophobicContact CD2-SD 3.58Å; F87-M131 VanDerWaalsContact CD2-SD 3.58Å; F87-M131 HydrophobicContact CE2-SD 3.8Å; F87-I144 HydrophobicContact CE2-CD1 4.32Å; F87-I144 HydrophobicContact CE2-CG1 3.9Å; F87-I144 HydrophobicContact CZ-CD1 4.01Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; F87-F172 AromaticContact CE1-CE1 3.91Å; F87-F172 HydrophobicContact CE1-CE1 3.91Å; F87-L176 HydrophobicContact CD1-CD2 3.66Å; F87-L176 HydrophobicContact CE1-CD2 4.22Å; F87-L176 HydrophobicContact CG-CD2 4.46Å
88R96.2Very high93.9Very high69 Ų6938 Ų3826%0.2619%0.194SC..Hα-helixtrans-60.4-42.4173.8-177.9-79-54.5-101.33.7111.1A84 V85 E86 L91 G92 R173 L176 A177 I180A84-R88 PolarHBondContact O-N 3.47Å; V85-R88 WeakPolarHBondContact O-CB 3.43Å; V85-R88 PolarHBondContact O-N 3.5Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.45Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.27Å; R88-G92 PolarHBondContact O-N 2.81Å; R88-R173 HydrophobicContact CG-CG 4.14Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.26Å; R88-A177 HydrophobicContact CG-CB 4.1Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.43Å
89D95.3Very high94Very high76 Ų7640.2 Ų40.241%0.40622%0.216SC..Hα-helixtrans-66.7-47.9179.8-58.6-23.3000110.8V85 E86 F87 L91 G92 D93V85-D89 PolarHBondContact O-N 3.46Å; E86-D89 PolarHBondContact O-N 3.18Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.93Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 2.81Å; D89-G92 WeakPolarHBondContact O-CA 3.49Å; D89-G92 PolarHBondContact O-N 2.91Å; D89-D93 PolarHBondContact O-N 2.94Å
90Y96.4Very high93.9Very high55 Ų5547.4 Ų47.422%0.21625%0.249CC..Hα-helixtrans-58.9-36.2174.6-75.6-64.1000112.9E86 F87 G92 D93 F94 E120 L122 M131E86-Y90 HydrophobicContact CB-CE2 4.38Å; E86-Y90 WeakPolarHBondContact O-CD2 3.11Å; E86-Y90 PolarHBondContact O-N 3.39Å; F87-Y90 PolarHBondContact O-N 2.9Å; Y90-G92 PolarHBondContact O-N 3.03Å; Y90-D93 PolarHBondContact O-N 2.89Å; Y90-F94 WeakPolarHBondContact O-CD2 3.49Å; Y90-F94 PolarHBondContact O-N 2.93Å; Y90-E120 HydrophobicContact CD1-CB 4.05Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.17Å; Y90-E120 HydrophobicContact CE1-CG 4.19Å; Y90-L122 HydrophobicContact CE2-CB 4.36Å; Y90-M131 HydrophobicContact CD1-CE 4.36Å; Y90-M131 HydrophobicContact CD2-CE 3.65Å; Y90-M131 HydrophobicContact CD2-SD 4.49Å; Y90-M131 HydrophobicContact CE2-CE 4.13Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.45Å
91L96.6Very high93.8Very high0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-59.5-37.6173.5-75.4173.2000111.4F87 R88 D89 F94 I95 L142 L169 F172 R173 L176F87-L91 HydrophobicContact CD1-CD1 4.36Å; F87-L91 HydrophobicContact CD2-CG 4.35Å; F87-L91 HydrophobicContact CE1-CD1 4.02Å; F87-L91 HydrophobicContact CE2-CD1 4.37Å; F87-L91 HydrophobicContact CE2-CD2 4.06Å; F87-L91 HydrophobicContact CE2-CG 4Å; F87-L91 HydrophobicContact CZ-CD1 4.02Å; F87-L91 HydrophobicContact CZ-CD2 4.05Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.5Å; F87-L91 PolarHBondContact O-N 3.34Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.27Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 2.81Å; L91-F94 PolarHBondContact O-N 3.01Å; L91-I95 WeakPolarHBondContact O-CB 3.46Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.21Å; L91-I95 WeakPolarHBondContact O-CG1 3.27Å; L91-I95 PolarHBondContact O-N 2.94Å; L91-L142 HydrophobicContact CD2-CD2 3.6Å; L91-L169 HydrophobicContact CD2-CD2 3.87Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.23Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å
92G96.3Very high93.2Very high14 Ų1449.2 Ų49.214%0.14427%0.266CS..Hα-helixtrans-55.3-52.9170.500000111.9R88 D89 Y90 F94 I95 E96R88-G92 PolarHBondContact O-N 2.81Å; D89-G92 WeakPolarHBondContact O-CA 3.49Å; D89-G92 PolarHBondContact O-N 2.91Å; Y90-G92 PolarHBondContact O-N 3.03Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.13Å; G92-I95 WeakPolarHBondContact O-CB 3.04Å; G92-I95 PolarHBondContact O-N 3.37Å; G92-E96 PolarHBondContact O-N 3.3Å
93D96.4Very high92.7Very high67 Ų6753.1 Ų53.136%0.35829%0.291SS..Hα-helixtrans-62.2-32.8179.8-58.8-22.6000113.2D89 Y90 H97 K118D89-D93 PolarHBondContact O-N 2.94Å; Y90-D93 PolarHBondContact O-N 2.89Å; D93-H97 WeakPolarHBondContact O-CB 3.2Å; D93-H97 PolarHBondContact O-N 2.87Å; D93-K118 PolarHBondContact O-NZ 2.6Å
94F96.8Very high91.6Very high0 Ų056.4 Ų56.40%031%0.311CS..Hα-helixtrans-73.4-37174.7-80.1-67.7000112.1Y90 L91 G92 Y98 K118 E120 M131 L133 L142Y90-F94 WeakPolarHBondContact O-CD2 3.49Å; Y90-F94 PolarHBondContact O-N 2.93Å; L91-F94 PolarHBondContact O-N 3.01Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.13Å; F94-Y98 WeakPolarHBondContact O-CB 3.24Å; F94-Y98 PolarHBondContact O-N 2.78Å; F94-K118 HydrophobicContact CD1-CB 4.18Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.87Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.37Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.87Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.83Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; F94-L133 HydrophobicContact CD1-CB 3.86Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; F94-L142 HydrophobicContact CD1-CD1 3.93Å; F94-L142 HydrophobicContact CD2-CD1 4.03Å; F94-L142 HydrophobicContact CD2-CD2 4.03Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.94Å; F94-L142 HydrophobicContact CE2-CD2 4.47Å; F94-L142 HydrophobicContact CG-CD1 4.06Å; F94-L142 HydrophobicContact CG-CD2 4.34Å; F94-L142 HydrophobicContact CZ-CD1 3.82Å
95I96Very high90.2Very high21 Ų2160.6 Ų60.611%0.10833%0.334CS..Hα-helixtrans-64.5-46.6176.4-71.6157.8000110.1L91 G92 H97 Y98 A99 L169 I170 R173L91-I95 WeakPolarHBondContact O-CB 3.46Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.21Å; L91-I95 WeakPolarHBondContact O-CG1 3.27Å; L91-I95 PolarHBondContact O-N 2.94Å; G92-I95 WeakPolarHBondContact O-CB 3.04Å; G92-I95 PolarHBondContact O-N 3.37Å; I95-H97 PolarHBondContact O-N 3.47Å; I95-Y98 PolarHBondContact O-N 2.99Å; I95-A99 WeakPolarHBondContact O-CB 3.42Å; I95-A99 PolarHBondContact O-N 2.89Å; I95-L169 HydrophobicContact CD1-CB 4.17Å; I95-L169 HydrophobicContact CG1-CB 3.65Å; I95-I170 HydrophobicContact CD1-CB 4.48Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.06Å; I95-I170 HydrophobicContact CG2-CD1 4.14Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; I95-R173 HydrophobicContact CD1-CB 4.08Å; I95-R173 HydrophobicContact CD1-CG 4.47Å
96E95.8Very high88.7Confident127 Ų12763 Ų6359%0.59335%0.35SS*.Hα-helixtrans-60.6-46.7177.7-71.1-179.2-175.400111.7G92 Y98 A99 Q100G92-E96 PolarHBondContact O-N 3.3Å; E96-Y98 PolarHBondContact O-N 2.87Å; E96-A99 PolarHBondContact O-N 2.8Å; E96-Q100 WeakPolarHBondContact O-CG 3.46Å; E96-Q100 PolarHBondContact O-N 2.83Å
97H94.3Very high87.1Confident50 Ų5066.7 Ų66.723%0.23137%0.372CS..Hα-helixtrans-62.4-43.7175.6-17671.5000111.4D93 I95 A99 Q100 L101 K118D93-H97 WeakPolarHBondContact O-CB 3.2Å; D93-H97 PolarHBondContact O-N 2.87Å; I95-H97 PolarHBondContact O-N 3.47Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.69Å; H97-Q100 PolarHBondContact O-N 3.16Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; H97-L101 WeakPolarHBondContact O-CG 3.26Å; H97-L101 PolarHBondContact O-N 2.74Å; H97-K118 HydrophobicContact CB-CD 3.84Å
98Y93.2Very high85.3Confident65 Ų6573.2 Ų73.226%0.25540%0.404SS..Hα-helixtrans-61.1-36.9178.1174.9-110.3000112.7F94 I95 E96 Q100 L101 R140 A166F94-Y98 WeakPolarHBondContact O-CB 3.24Å; F94-Y98 PolarHBondContact O-N 2.78Å; I95-Y98 PolarHBondContact O-N 2.99Å; E96-Y98 PolarHBondContact O-N 2.87Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.15Å; Y98-L101 HydrophobicContact CD2-CD1 4.31Å; Y98-L101 WeakPolarHBondContact O-CB 3.32Å; Y98-L101 PolarHBondContact O-N 2.9Å; Y98-R140 HydrophobicContact CE2-CB 4.15Å; Y98-A166 HydrophobicContact CD2-CB 3.79Å; Y98-A166 HydrophobicContact CE1-CB 4.27Å; Y98-A166 HydrophobicContact CE2-CB 3.53Å; Y98-A166 HydrophobicContact CG-CB 4.28Å
99A92.4Very high83.4Confident82 Ų8272.7 Ų72.768%0.67841%0.409SS*.Hα-helixtrans-66.5-26.3176.900000113.2I95 E96 H97I95-A99 WeakPolarHBondContact O-CB 3.42Å; I95-A99 PolarHBondContact O-N 2.89Å; E96-A99 PolarHBondContact O-N 2.8Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.69Å
100Q91.1Very high81.4Confident155 Ų15577.6 Ų77.672%0.72443%0.429SS*.Hα-helixtrans-83.1-14.6176.1-65171.16.100112.8E96 H97 Y98 G102E96-Q100 WeakPolarHBondContact O-CG 3.46Å; E96-Q100 PolarHBondContact O-N 2.83Å; H97-Q100 PolarHBondContact O-N 3.16Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.15Å; Q100-G102 PolarHBondContact O-N 2.72Å
101L86.9Confident79.1Confident46 Ų4682.4 Ų82.424%0.24146%0.458CS..  trans-77125.9179-62.5174.2000110.2H97 Y98 L117 L133H97-L101 WeakPolarHBondContact O-CG 3.26Å; H97-L101 PolarHBondContact O-N 2.74Å; Y98-L101 HydrophobicContact CD2-CD1 4.31Å; Y98-L101 WeakPolarHBondContact O-CB 3.32Å; Y98-L101 PolarHBondContact O-N 2.9Å; L101-L117 HydrophobicContact CD1-CD1 3.86Å; L101-L133 HydrophobicContact CD1-CD2 4.19Å
102G79.2Confident76.8Confident46 Ų4688.9 Ų88.947%0.47449%0.489SS..  trans-63.2-178.2171.800000113.9Q100 R140Q100-G102 PolarHBondContact O-N 2.72Å; G102-R140 PolarHBondContact O-NH1 3.02Å; G102-R140 PolarHBondContact O-NH2 2.8Å
103P77.1Confident74.7Confident116 Ų11693.6 Ų93.675%0.75352%0.517SS*.SBendtrans-53.9146.7178.621.1-31.2000112N105P103-N105 PolarHBondContact O-N 2.84Å
104T69.6Low73.1Confident73 Ų73101 Ų10145%0.44854%0.54SS..  trans-60.7124.2176.132.30000110P106 E135 R140T104-P106 VanDerWaalsContact O-CD 3.3Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å; T104-E135 WeakPolarHBondContact CA-OE1 3.35Å; T104-E135 WeakPolarHBondContact CB-OE1 3.35Å; T104-E135 HydrophobicContact CG2-CG 4.24Å; T104-E135 WeakPolarHBondContact CG2-OE1 3.21Å; T104-R140 HydrophobicContact CG2-CG 4.25Å
105N64.3Low72Confident88 Ų88110.7 Ų110.747%0.47158%0.576SS.*  trans-93106.4177-82.2-16.7000109.4P103 D107 M108P103-N105 PolarHBondContact O-N 2.84Å; N105-D107 PolarHBondContact O-N 3.11Å; N105-M108 HydrophobicContact CB-CB 4.4Å; N105-M108 HydrophobicContact CB-CG 4.06Å; N105-M108 HydrophobicContact CB-SD 4.11Å; N105-M108 PolarHBondContact O-N 2.86Å
106P60.8Low71.5Confident102 Ų102110.8 Ų110.866%0.66258%0.58SS**G310 helixtrans-66.7-23.8-176.726.7-33.7000113.4T104 V109T104-P106 VanDerWaalsContact O-CD 3.3Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-V109 WeakPolarHBondContact O-CG2 3.23Å
107D60.2Low71.2Confident142 Ų142108 Ų10876%0.75957%0.569SS**G310 helixtrans-81.2-21.5-176.6-64.7-34.9000113.8N105 V109N105-D107 PolarHBondContact O-N 3.11Å; D107-V109 PolarHBondContact O-N 2.81Å
108M57.3Low71.1Confident144 Ų144107.7 Ų107.771%0.70957%0.567SS**G310 helixtrans-78.1-5.9178.9-68.9-174.470.400113.5N105 Q110N105-M108 HydrophobicContact CB-CB 4.4Å; N105-M108 HydrophobicContact CB-CG 4.06Å; N105-M108 HydrophobicContact CB-SD 4.11Å; N105-M108 PolarHBondContact O-N 2.86Å; M108-Q110 VanDerWaalsContact C-N 3.3Å; M108-Q110 PolarHBondContact O-N 2.88Å
109V55.5Low71.2Confident58 Ų58107.7 Ų107.735%0.35258%0.576SS.*G310 helixtrans-81.1-11-172-162.50000112.2P106 D107 Q137P106-V109 WeakPolarHBondContact O-CG2 3.23Å; D107-V109 PolarHBondContact O-N 2.81Å; V109-Q137 HydrophobicContact CG1-CG 4.47Å
110Q53.7Low71.3Confident178 Ų178106.7 Ų106.783%0.83256%0.558SS**SBendtrans-87.1-29-173.7-98.7177.1-18.600115.4M108M108-Q110 VanDerWaalsContact C-N 3.3Å; M108-Q110 PolarHBondContact O-N 2.88Å
111D48.6Very low71.4Confident156 Ų156104.8 Ų104.883%0.83455%0.547SS*.SBendtrans-109.5-12.8-162.7-94.6-36.7000117.3
112E47.7Very low71.4Confident137 Ų137103.1 Ų103.164%0.6454%0.538SS*.SBendtrans-122.8144.2-175.1-78.9-109.514200113.6R114E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 2.84Å
113P51.1Low71.8Confident112 Ų112104.9 Ų104.973%0.72754%0.54SS*.  trans-7183.3-17629.7-34.5000111.9R115P113-R115 PolarHBondContact O-N 3.35Å
114R63.7Low72Confident223 Ų223104.9 Ų104.984%0.84253%0.525SS*.  trans35.841.9160.7-61.6179179.2155.5-0.1115.2E112 K134E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 2.84Å; R114-K134 PolarHBondContact O-NZ 2.91Å
115R73.3Confident72.5Confident203 Ų203109.6 Ų109.677%0.76654%0.542SS*.  trans-66.9141.2-176.6-163.7173.3-178.4-179.4-0.9108.4P113P113-R115 PolarHBondContact O-N 3.35Å
116A84.9Confident73.2Confident23 Ų23109.1 Ų109.119%0.1954%0.539CS..  trans-69.5136.1173.500000108.9K118 S119 D132 L133 K134A116-K118 VanDerWaalsContact C-N 3.29Å; A116-S119 WeakPolarHBondContact CB-OG 3.27Å; A116-D132 HydrophobicContact CB-CB 3.93Å; A116-L133 CarbonylContact C-O 3.57Å; A116-L133 VanDerWaalsContact CA-O 3.3Å; A116-L133 WeakPolarHBondContact CA-O 3Å; A116-K134 HydrophobicContact CB-CG 4.35Å
117L89.3Confident74.4Confident68 Ų68108.3 Ų108.336%0.35652%0.523SS..SBendtrans-64.3-39.3172.4-61.9174.7000110.4L101 L133 E135 R140L101-L117 HydrophobicContact CD1-CD1 3.86Å; L117-L133 HydrophobicContact CB-CD2 4.39Å; L117-L133 HydrophobicContact CB-CG 4.39Å; L117-L133 HydrophobicContact CD1-CG 4.4Å; L117-L133 PolarHBondContact N-O 3Å; L117-E135 HydrophobicContact CD1-CB 4.11Å; L117-R140 HydrophobicContact CD1-CG 4.17Å
118K93.1Very high75.9Confident45 Ų45103.8 Ų103.820%0.19650%0.497CS..EExtended strand (participates in β ladder)trans-145.5139.6171.4-178.6172.2174169.90108.6D93 F94 H97 A116 L133D93-K118 PolarHBondContact O-NZ 2.6Å; F94-K118 HydrophobicContact CD1-CB 4.18Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.87Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.37Å; H97-K118 HydrophobicContact CB-CD 3.84Å; A116-K118 VanDerWaalsContact C-N 3.29Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.46Å
119S94.9Very high77.6Confident64 Ų6497.4 Ų97.445%0.44847%0.465SS..EExtended strand (participates in β ladder)trans-130.7132176.2-78.50000109.9A116 M131 D132A116-S119 WeakPolarHBondContact CB-OG 3.27Å; S119-M131 CarbonylContact C-O 3.6Å; S119-M131 VanDerWaalsContact CA-O 3.29Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; S119-D132 PolarHBondContact OG-OD1 3.41Å
120E95.7Very high79.5Confident62 Ų6297.7 Ų97.729%0.2946%0.46SS..EExtended strand (participates in β ladder)trans-127.4159.2171.6-67.6-60.4161.700109.7Y90 F94 M131Y90-E120 HydrophobicContact CD1-CB 4.05Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.17Å; Y90-E120 HydrophobicContact CE1-CG 4.19Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.87Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; E120-M131 HydrophobicContact CB-CB 4.46Å; E120-M131 HydrophobicContact CB-CE 4Å; E120-M131 PolarHBondContact N-O 2.93Å; E120-M131 PolarHBondContact O-N 2.97Å
121F92.3Very high81.5Confident114 Ų11489.3 Ų89.350%0.542%0.421SS..EExtended strand (participates in β ladder)trans-142.7147.2171.371.6-89000112.4V123 K128 Y129 Y130F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.08Å; F121-K128 HydrophobicContact CD2-CD 4.45Å; F121-K128 VanDerWaalsContact CD2-CE 3.42Å; F121-Y129 CarbonylContact C-O 3.52Å; F121-Y129 WeakPolarHBondContact CA-O 3.38Å; F121-Y129 WeakPolarHBondContact CB-O 3.49Å; F121-Y130 HydrophobicContact CB-CD1 4.29Å
122L88Confident83.7Confident11 Ų1182.8 Ų82.86%0.05839%0.386CS..EExtended strand (participates in β ladder)trans-122134176.4171.961.6000109.4V83 E86 Y90 K128 Y129 M131V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.73Å; V83-L122 HydrophobicContact CG2-CD2 4.21Å; E86-L122 HydrophobicContact CB-CD2 3.96Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.42Å; Y90-L122 HydrophobicContact CE2-CB 4.36Å; L122-K128 CarbonylContact O-C 3.52Å; L122-K128 WeakPolarHBondContact O-CA 3.36Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.29Å; L122-Y129 PolarHBondContact O-N 3.09Å; L122-M131 HydrophobicContact CB-CE 4.36Å
123V86.3Confident86Confident84 Ų8476.3 Ų76.351%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-115.7123.2174.6-177.40000108.9F121 R127 K128F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.08Å; V123-R127 WeakPolarHBondContact CA-O 2.94Å; V123-K128 HydrophobicContact CG2-CB 4.44Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å
124R82.1Confident88.1Confident115 Ų11572.4 Ų72.443%0.43433%0.327SS..EExtended strand (participates in β ladder)trans-137.3127.4173-166.470.7-179.1166.5-1.8109.4V83 N126 R127V83-R124 HydrophobicContact CG2-CB 3.69Å; V83-R124 HydrophobicContact CG2-CG 3.78Å; R124-N126 PolarHBondContact O-N 2.79Å; R124-R127 PolarHBondContact N-O 3.34Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.13Å
125E80.3Confident89.3Confident172 Ų17264.2 Ų64.280%0.80430%0.299SS*.THydrogen-bonded Turntrans52.1-118.5-174.8-57.8175.3173.100111.5
126N79.6Confident89.9Confident79 Ų7957.4 Ų57.442%0.42228%0.278SS..THydrogen-bonded Turntrans-103.719.7176.469.3-20000113.1R124 V148 N149R124-N126 PolarHBondContact O-N 2.79Å; N126-V148 CarbonylContact O-C 3.57Å; N126-V148 WeakPolarHBondContact O-CA 3.31Å; N126-N149 PolarHBondContact O-N 2.78Å
127R85.6Confident89.8Confident85 Ų8565.4 Ų65.432%0.32131%0.311SS..EExtended strand (participates in β ladder)trans-116.6138.1-178.6-57.7-174.8179.5-145.22110.5V123 R124 Y129 T147 V148V123-R127 WeakPolarHBondContact CA-O 2.94Å; R124-R127 PolarHBondContact N-O 3.34Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.13Å; R127-Y129 HydrophobicContact CB-CE2 3.81Å; R127-Y129 WeakPolarHBondContact CD-OH 3.32Å; R127-T147 WeakPolarHBondContact CA-O 3.4Å; R127-V148 HydrophobicContact CG-CG2 4.43Å
128K90.4Very high89.6Confident47 Ų4770.7 Ų70.720%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-121.7127.3172.5-172.4163.2176.2-169.50109.5F121 L122 V123 Y130 Q146 T147F121-K128 HydrophobicContact CD2-CD 4.45Å; F121-K128 VanDerWaalsContact CD2-CE 3.42Å; L122-K128 CarbonylContact O-C 3.52Å; L122-K128 WeakPolarHBondContact O-CA 3.36Å; V123-K128 HydrophobicContact CG2-CB 4.44Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å; K128-Y130 HydrophobicContact CB-CE2 4.16Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.96Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.25Å; K128-Y130 WeakPolarHBondContact CD-OH 3.23Å; K128-Y130 WeakPolarHBondContact CE-OH 3.49Å; K128-Y130 HydrophobicContact CG-CD2 4.25Å; K128-Y130 HydrophobicContact CG-CE1 4.32Å; K128-Y130 HydrophobicContact CG-CE2 3.72Å; K128-Y130 PolarHBondContact NZ-OH 3.28Å; K128-Q146 CarbonylContact O-C 3.53Å; K128-Q146 WeakPolarHBondContact O-CA 3.46Å; K128-T147 PolarHBondContact N-O 2.77Å; K128-T147 PolarHBondContact O-N 3.48Å; K128-T147 PolarHBondContact O-OG1 3.37Å
129Y93.8Very high89.4Confident10 Ų1069.2 Ų69.24%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-106.8117.2178.2-59.9-92.2000107.5L77 T78 L79 V83 F121 L122 R127 R145 Q146L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.09Å; T78-Y129 PolarHBondContact O-OH 2.8Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.25Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 4Å; V83-Y129 HydrophobicContact CG2-CE2 4.3Å; F121-Y129 CarbonylContact C-O 3.52Å; F121-Y129 WeakPolarHBondContact CA-O 3.38Å; F121-Y129 WeakPolarHBondContact CB-O 3.49Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.29Å; L122-Y129 PolarHBondContact O-N 3.09Å; R127-Y129 HydrophobicContact CB-CE2 3.81Å; R127-Y129 WeakPolarHBondContact CD-OH 3.32Å; Y129-R145 CarbonylContact C-O 3.54Å; Y129-R145 WeakPolarHBondContact CA-O 3.32Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.84Å; Y129-Q146 HydrophobicContact CE1-CB 3.77Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.26Å; Y129-Q146 PolarHBondContact OH-OE1 2.67Å
130Y94.9Very high89.3Confident63 Ų6367.3 Ų67.325%0.24731%0.307CS..EExtended strand (participates in β ladder)trans-100.2130.8174.8-62.4-91000108.7F121 K128 I144 R145 T147F121-Y130 HydrophobicContact CB-CD1 4.29Å; K128-Y130 HydrophobicContact CB-CE2 4.16Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.96Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.25Å; K128-Y130 WeakPolarHBondContact CD-OH 3.23Å; K128-Y130 WeakPolarHBondContact CE-OH 3.49Å; K128-Y130 HydrophobicContact CG-CD2 4.25Å; K128-Y130 HydrophobicContact CG-CE1 4.32Å; K128-Y130 HydrophobicContact CG-CE2 3.72Å; K128-Y130 PolarHBondContact NZ-OH 3.28Å; Y130-I144 CarbonylContact O-C 3.54Å; Y130-I144 VanDerWaalsContact O-CA 3.32Å; Y130-I144 WeakPolarHBondContact O-CA 3.42Å; Y130-R145 PolarHBondContact N-O 3.49Å; Y130-R145 PolarHBondContact O-N 2.83Å; Y130-T147 HydrophobicContact CD2-CG2 4.31Å; Y130-T147 HydrophobicContact CE2-CG2 4.01Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å
131M96.3Very high89.2Confident3 Ų366.4 Ų66.42%0.01530%0.302CS..EExtended strand (participates in β ladder)trans-122.9107.8-179-65.9172.5-76.500108.3F87 Y90 F94 S119 E120 L122 L142 R143 I144F87-M131 HydrophobicContact CD2-SD 3.58Å; F87-M131 VanDerWaalsContact CD2-SD 3.58Å; F87-M131 HydrophobicContact CE2-SD 3.8Å; Y90-M131 HydrophobicContact CD1-CE 4.36Å; Y90-M131 HydrophobicContact CD2-CE 3.65Å; Y90-M131 HydrophobicContact CD2-SD 4.49Å; Y90-M131 HydrophobicContact CE2-CE 4.13Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.45Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.83Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; S119-M131 CarbonylContact C-O 3.6Å; S119-M131 VanDerWaalsContact CA-O 3.29Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; E120-M131 HydrophobicContact CB-CB 4.46Å; E120-M131 HydrophobicContact CB-CE 4Å; E120-M131 PolarHBondContact N-O 2.93Å; E120-M131 PolarHBondContact O-N 2.97Å; L122-M131 HydrophobicContact CB-CE 4.36Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; M131-R143 WeakPolarHBondContact CA-O 3.29Å; M131-I144 HydrophobicContact CG-CG1 4.01Å; M131-I144 HydrophobicContact CG-CG2 4.18Å
132D95.6Very high89.4Confident19 Ų1961 Ų6110%0.10228%0.278CS..EExtended strand (participates in β ladder)trans-116.2112.9-177.3-57.9-46.2000109.9A116 S119 K134 R143A116-D132 HydrophobicContact CB-CB 3.93Å; S119-D132 PolarHBondContact OG-OD1 3.41Å; D132-K134 HydrophobicContact CB-CD 4.21Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.75Å; D132-R143 PolarHBondContact N-O 3.37Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 3.84Å; D132-R143 IonicContact OD2-NE 2.63Å; D132-R143 IonicContact OD2-NH2 3.28Å; D132-R143 PolarHBondContact OD2-NH2 2.99Å
133L96.1Very high89.8Confident0 Ų064.2 Ų64.20%029%0.289CS..EExtended strand (participates in β ladder)trans-75.9121.2166.8-176.165.9000108.3F94 L101 A116 L117 K118 L142 A166F94-L133 HydrophobicContact CD1-CB 3.86Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; L101-L133 HydrophobicContact CD1-CD2 4.19Å; A116-L133 CarbonylContact C-O 3.57Å; A116-L133 VanDerWaalsContact CA-O 3.3Å; A116-L133 WeakPolarHBondContact CA-O 3Å; L117-L133 HydrophobicContact CB-CD2 4.39Å; L117-L133 HydrophobicContact CB-CG 4.39Å; L117-L133 HydrophobicContact CD1-CG 4.4Å; L117-L133 PolarHBondContact N-O 3Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.46Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.42Å; L133-A166 HydrophobicContact CD1-CB 4.4Å
134K93.8Very high90.2Very high30 Ų3060.3 Ų60.313%0.1327%0.266CS..EExtended strand (participates in β ladder)trans-129.9157.5-174-68.5-177.3174.1-110.10111.1R114 A116 D132 R140 F141 R143R114-K134 PolarHBondContact O-NZ 2.91Å; A116-K134 HydrophobicContact CB-CG 4.35Å; D132-K134 HydrophobicContact CB-CD 4.21Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.75Å; K134-R140 CarbonylContact O-C 3.5Å; K134-R140 WeakPolarHBondContact O-CA 3.43Å; K134-F141 HydrophobicContact CB-CD1 4.35Å; K134-F141 HydrophobicContact CB-CE1 3.77Å; K134-F141 HydrophobicContact CB-CE2 4.24Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CE2 4.5Å; K134-F141 HydrophobicContact CD-CZ 4.21Å; K134-F141 PolarHBondContact N-O 3.08Å; K134-F141 PolarHBondContact O-N 3.18Å; K134-R143 VanDerWaalsContact CE-NH2 3.35Å
135E89.7Confident90.7Very high52 Ų5259.2 Ų59.224%0.24326%0.262CS..EExtended strand (participates in β ladder)trans-116.5138.3174-167.516216000110T104 L117 R140T104-E135 WeakPolarHBondContact CA-OE1 3.35Å; T104-E135 WeakPolarHBondContact CB-OE1 3.35Å; T104-E135 HydrophobicContact CG2-CG 4.24Å; T104-E135 WeakPolarHBondContact CG2-OE1 3.21Å; L117-E135 HydrophobicContact CD1-CB 4.11Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.84Å; E135-R140 IonicContact OE2-CZ 2.7Å; E135-R140 IonicContact OE2-NE 3.35Å; E135-R140 PolarHBondContact OE2-NE 2.94Å; E135-R140 IonicContact OE2-NH2 3.34Å; E135-R140 PolarHBondContact OE2-NH2 2.96Å
136N85.3Confident91.2Very high60 Ų6051.5 Ų51.532%0.32123%0.225SC..EExtended strand (participates in β ladder)trans-139.9-179.6170.76822.1000110R138 G139 F141N136-R138 PolarHBondContact O-N 2.82Å; N136-R138 VanDerWaalsContact OD1-CA 3.31Å; N136-R138 WeakPolarHBondContact OD1-CA 3.38Å; N136-R138 WeakPolarHBondContact OD1-CB 3.34Å; N136-R138 PolarHBondContact OD1-N 2.94Å; N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 3.19Å; N136-G139 PolarHBondContact OD1-N 3.32Å; N136-G139 VanDerWaalsContact OD1-N 3.17Å; N136-G139 PolarHBondContact OD1-O 3.42Å; N136-F141 HydrophobicContact CB-CE1 4.07Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.35Å
137Q83.9Confident91.6Very high190 Ų19049 Ų4989%0.88821%0.213SC*.THydrogen-bonded Turntrans-57.5-21.3178.4-66.1177.2-0.200114.3V109V109-Q137 HydrophobicContact CG1-CG 4.47Å
138R83.8Confident91.2Very high179 Ų17947.5 Ų47.568%0.67521%0.213SC*.THydrogen-bonded Turntrans-92.4-1.7177.8-61.2174.657.2-167.2-3.2112.7N136N136-R138 PolarHBondContact O-N 2.82Å; N136-R138 VanDerWaalsContact OD1-CA 3.31Å; N136-R138 WeakPolarHBondContact OD1-CA 3.38Å; N136-R138 WeakPolarHBondContact OD1-CB 3.34Å; N136-R138 PolarHBondContact OD1-N 2.94Å
139G88.6Confident90Very high14 Ų1450.6 Ų50.614%0.14423%0.232CC..EExtended strand (participates in β ladder)trans113.7-163.7-178.400000113.6N136N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 3.19Å; N136-G139 PolarHBondContact OD1-N 3.32Å; N136-G139 VanDerWaalsContact OD1-N 3.17Å; N136-G139 PolarHBondContact OD1-O 3.42Å
140R92.6Very high88.4Confident25 Ų2556.9 Ų56.99%0.09426%0.256CS..EExtended strand (participates in β ladder)trans-91.4143-177.4-63.8179.3-173138.94111.8Y98 G102 T104 L117 K134 E135 A166Y98-R140 HydrophobicContact CE2-CB 4.15Å; G102-R140 PolarHBondContact O-NH1 3.02Å; G102-R140 PolarHBondContact O-NH2 2.8Å; T104-R140 HydrophobicContact CG2-CG 4.25Å; L117-R140 HydrophobicContact CD1-CG 4.17Å; K134-R140 CarbonylContact O-C 3.5Å; K134-R140 WeakPolarHBondContact O-CA 3.43Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.84Å; E135-R140 IonicContact OE2-CZ 2.7Å; E135-R140 IonicContact OE2-NE 3.35Å; E135-R140 PolarHBondContact OE2-NE 2.94Å; E135-R140 IonicContact OE2-NH2 3.34Å; E135-R140 PolarHBondContact OE2-NH2 2.96Å; R140-A166 HydrophobicContact CB-CB 3.82Å; R140-A166 WeakPolarHBondContact O-CB 3.33Å; R140-A166 PolarHBondContact O-N 3.21Å
141F94.8Very high86.3Confident42 Ų4256.4 Ų56.418%0.18427%0.27CS..EExtended strand (participates in β ladder)trans-149.7144179.567.6-78.9000111.4K134 N136 R143 A163 L164K134-F141 HydrophobicContact CB-CD1 4.35Å; K134-F141 HydrophobicContact CB-CE1 3.77Å; K134-F141 HydrophobicContact CB-CE2 4.24Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CE2 4.5Å; K134-F141 HydrophobicContact CD-CZ 4.21Å; K134-F141 PolarHBondContact N-O 3.08Å; K134-F141 PolarHBondContact O-N 3.18Å; N136-F141 HydrophobicContact CB-CE1 4.07Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.35Å; F141-R143 HydrophobicContact CD2-CB 4.3Å; F141-R143 HydrophobicContact CE2-CB 4.03Å; F141-A163 HydrophobicContact CD2-CB 4.01Å; F141-A163 HydrophobicContact CE2-CB 4.49Å; F141-L164 CarbonylContact C-O 3.55Å; F141-L164 WeakPolarHBondContact CA-O 3.46Å; F141-L164 WeakPolarHBondContact CB-O 3.36Å
142L96.4Very high83.6Confident0 Ų063.3 Ų63.30%032%0.315CS..EExtended strand (participates in β ladder)trans-90.4118.4171.8-175.864000109.3L91 F94 M131 L133 I144 A163 L164 L169L91-L142 HydrophobicContact CD2-CD2 3.6Å; F94-L142 HydrophobicContact CD1-CD1 3.93Å; F94-L142 HydrophobicContact CD2-CD1 4.03Å; F94-L142 HydrophobicContact CD2-CD2 4.03Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.94Å; F94-L142 HydrophobicContact CE2-CD2 4.47Å; F94-L142 HydrophobicContact CG-CD1 4.06Å; F94-L142 HydrophobicContact CG-CD2 4.34Å; F94-L142 HydrophobicContact CZ-CD1 3.82Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.42Å; L142-I144 HydrophobicContact CD2-CD1 4.06Å; L142-I144 HydrophobicContact CD2-CG1 4.41Å; L142-I144 HydrophobicContact CG-CD1 3.93Å; L142-I144 HydrophobicContact CG-CG1 4.27Å; L142-A163 CarbonylContact O-C 3.57Å; L142-A163 WeakPolarHBondContact O-CA 3.49Å; L142-L164 PolarHBondContact N-O 3.37Å; L142-L164 PolarHBondContact O-N 2.88Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.86Å
143R95.2Very high81.5Confident80 Ų8066.2 Ų66.230%0.30235%0.35SS..EExtended strand (participates in β ladder)trans-97.8117.5175.5-173.2179.867172.24.9109.6M131 D132 K134 F141 T161M131-R143 WeakPolarHBondContact CA-O 3.29Å; D132-R143 PolarHBondContact N-O 3.37Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 3.84Å; D132-R143 IonicContact OD2-NE 2.63Å; D132-R143 IonicContact OD2-NH2 3.28Å; D132-R143 PolarHBondContact OD2-NH2 2.99Å; K134-R143 VanDerWaalsContact CE-NH2 3.35Å; F141-R143 HydrophobicContact CD2-CB 4.3Å; F141-R143 HydrophobicContact CE2-CB 4.03Å; R143-T161 HydrophobicContact CG-CG2 3.78Å
144I95.4Very high79.4Confident2 Ų271.9 Ų71.91%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-106.2120.8175.7-55.698000108.9L77 F87 Y130 M131 L142 T161 I162 L164L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; F87-I144 HydrophobicContact CE2-CD1 4.32Å; F87-I144 HydrophobicContact CE2-CG1 3.9Å; F87-I144 HydrophobicContact CZ-CD1 4.01Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; Y130-I144 CarbonylContact O-C 3.54Å; Y130-I144 VanDerWaalsContact O-CA 3.32Å; Y130-I144 WeakPolarHBondContact O-CA 3.42Å; M131-I144 HydrophobicContact CG-CG1 4.01Å; M131-I144 HydrophobicContact CG-CG2 4.18Å; L142-I144 HydrophobicContact CD2-CD1 4.06Å; L142-I144 HydrophobicContact CD2-CG1 4.41Å; L142-I144 HydrophobicContact CG-CD1 3.93Å; L142-I144 HydrophobicContact CG-CG1 4.27Å; I144-T161 CarbonylContact O-C 3.54Å; I144-T161 WeakPolarHBondContact O-CA 3.15Å; I144-T161 WeakPolarHBondContact O-CG2 3.45Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.31Å; I144-I162 HydrophobicContact CD1-CG1 4.02Å; I144-I162 PolarHBondContact N-O 3.05Å; I144-I162 PolarHBondContact O-N 3.45Å; I144-L164 HydrophobicContact CD1-CD1 3.57Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å; I144-L164 HydrophobicContact CD1-CG 4.46Å
145R93.4Very high77.1Confident92 Ų9273.5 Ų73.535%0.34740%0.404SS..EExtended strand (participates in β ladder)trans-124121.7179.9178.4175.764.1127.63.3110.6Y129 Y130 T147 Q160 T161Y129-R145 CarbonylContact C-O 3.54Å; Y129-R145 WeakPolarHBondContact CA-O 3.32Å; Y130-R145 PolarHBondContact N-O 3.49Å; Y130-R145 PolarHBondContact O-N 2.83Å; R145-T147 HydrophobicContact CG-CG2 4.34Å; R145-Q160 CarbonylContact C-O 3.43Å; R145-Q160 WeakPolarHBondContact CA-O 3.25Å; R145-T161 HydrophobicContact CB-CG2 4.25Å; R145-T161 WeakPolarHBondContact CG-OG1 3.33Å
146Q90.9Very high75.2Confident9 Ų976.5 Ų76.54%0.04243%0.431CS..EExtended strand (participates in β ladder)trans-94.5127.5170.9-175.4-164.7-53.300110.5L77 T78 K128 Y129 G159 Q160L77-Q146 HydrophobicContact CD1-CB 3.58Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; T78-Q146 PolarHBondContact O-OE1 3.44Å; K128-Q146 CarbonylContact O-C 3.53Å; K128-Q146 WeakPolarHBondContact O-CA 3.46Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.84Å; Y129-Q146 HydrophobicContact CE1-CB 3.77Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.26Å; Y129-Q146 PolarHBondContact OH-OE1 2.67Å; Q146-G159 CarbonylContact O-C 3.53Å; Q146-G159 WeakPolarHBondContact O-CA 3.49Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3Å; Q146-Q160 PolarHBondContact O-N 3.17Å
147T86.8Confident73.6Confident28 Ų2876.3 Ų76.317%0.17244%0.438CS..EExtended strand (participates in β ladder)trans-116.2148.3167.962.20000109.8R127 K128 Y130 R145R127-T147 WeakPolarHBondContact CA-O 3.4Å; K128-T147 PolarHBondContact N-O 2.77Å; K128-T147 PolarHBondContact O-N 3.48Å; K128-T147 PolarHBondContact O-OG1 3.37Å; Y130-T147 HydrophobicContact CD2-CG2 4.31Å; Y130-T147 HydrophobicContact CE2-CG2 4.01Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å; R145-T147 HydrophobicContact CG-CG2 4.34Å
148V78.1Confident72.4Confident53 Ų5376.3 Ų76.332%0.32144%0.438SS..EExtended strand (participates in β ladder)trans-106.5127.2171.8-174.60000107.4N126 R127 R150N126-V148 CarbonylContact O-C 3.57Å; N126-V148 WeakPolarHBondContact O-CA 3.31Å; R127-V148 HydrophobicContact CG-CG2 4.43Å; V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.28Å
149N64.3Low71.5Confident111 Ų11169.1 Ų69.159%0.59442%0.42SS*.  trans-73.187.8171.5-76.236.2000107.9N126N126-N149 PolarHBondContact O-N 2.78Å
150R60.2Low71.4Confident143 Ų14370.9 Ų70.954%0.5442%0.424SS..PPolyproline II helixtrans-88.7131.2161.5-64.4-174.7179-177.5-1.7106.3V148 L154V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.28Å; R150-L154 HydrophobicContact CB-CB 4.12Å
151G51.3Low71.4Confident53 Ų5371.8 Ų71.855%0.54643%0.433SS..PPolyproline II helixtrans-55.4173.1-176.400000113.6G153 L154G151-G153 PolarHBondContact O-N 3.06Å; G151-G153 VanDerWaalsContact O-N 3.16Å; G151-L154 PolarHBondContact O-N 2.93Å
152P39.5Very low71.4Confident148 Ų14869.9 Ų69.996%0.96142%0.424SS*.THydrogen-bonded Turntrans-54.1122.8-176.8-19.830.3000110.8
153G52.3Low71.3Confident80 Ų8070.8 Ų70.883%0.82543%0.431SS*.THydrogen-bonded Turntrans110.1-11.9172.800000117G151G151-G153 PolarHBondContact O-N 3.06Å; G151-G153 VanDerWaalsContact O-N 3.16Å
154L51Low71.3Confident119 Ų11967 Ų6762%0.62342%0.417SS*.SBendtrans-101.2104.9168.1-114.372.4000109R150 G151R150-L154 HydrophobicContact CB-CB 4.12Å; G151-L154 PolarHBondContact O-N 2.93Å
155G46.4Very low71.3Confident64 Ų6467.1 Ų67.166%0.6642%0.418SS*.  trans-41.9147.5-173.900000114.9A157G155-A157 VanDerWaalsContact C-N 3.34Å; G155-A157 PolarHBondContact O-N 3.43Å
156S48.3Very low71.4Confident114 Ų11462.9 Ų62.980%0.79740%0.403SS*.  trans-50.395.6172.8177.40000109.7Q158S156-Q158 PolarHBondContact O-N 3.35Å; S156-Q158 VanDerWaalsContact O-N 3.07Å
157A52.6Low71.5Confident56 Ų5667.3 Ų67.346%0.46342%0.424SS..  trans-58.1118.3166.500000105.5G155 G159G155-A157 VanDerWaalsContact C-N 3.34Å; G155-A157 PolarHBondContact O-N 3.43Å; A157-G159 PolarHBondContact O-N 3.28Å
158Q57.7Low71.9Confident190 Ų19066.2 Ų66.289%0.88842%0.418SS*.  trans-42112.2-174.7-68.4-158.6-19.900110S156 Q160S156-Q158 PolarHBondContact O-N 3.35Å; S156-Q158 VanDerWaalsContact O-N 3.07Å; Q158-Q160 PolarHBondContact O-N 3.33Å
159G65.1Low72.8Confident29 Ų2963.7 Ų63.730%0.29940%0.403SS..  trans-58.4134.4-172.400000110.7Q146 A157 T161Q146-G159 CarbonylContact O-C 3.53Å; Q146-G159 WeakPolarHBondContact O-CA 3.49Å; A157-G159 PolarHBondContact O-N 3.28Å; G159-T161 PolarHBondContact O-N 3.11Å; G159-T161 PolarHBondContact O-OG1 3.42Å
160Q87.2Confident74.3Confident50 Ų5062.6 Ų62.623%0.23440%0.396CS..EExtended strand (participates in β ladder)trans-65.9122.6174.8-78.5-176.96.400108.6R76 L77 R145 Q146 Q158R76-Q160 VanDerWaalsContact O-CB 3.28Å; R76-Q160 WeakPolarHBondContact O-CB 3.42Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; L77-Q160 HydrophobicContact CD1-CB 4.25Å; R145-Q160 CarbonylContact C-O 3.43Å; R145-Q160 WeakPolarHBondContact CA-O 3.25Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3Å; Q146-Q160 PolarHBondContact O-N 3.17Å; Q158-Q160 PolarHBondContact O-N 3.33Å
161T91.9Very high76.1Confident45 Ų4560.6 Ų60.628%0.27639%0.392SS..EExtended strand (participates in β ladder)trans-133.1138-175.7-53.60000110.3S75 R143 I144 R145 G159S75-T161 WeakPolarHBondContact CB-O 3.43Å; R143-T161 HydrophobicContact CG-CG2 3.78Å; I144-T161 CarbonylContact O-C 3.54Å; I144-T161 WeakPolarHBondContact O-CA 3.15Å; I144-T161 WeakPolarHBondContact O-CG2 3.45Å; R145-T161 HydrophobicContact CB-CG2 4.25Å; R145-T161 WeakPolarHBondContact CG-OG1 3.33Å; G159-T161 PolarHBondContact O-N 3.11Å; G159-T161 PolarHBondContact O-OG1 3.42Å
162I94.6Very high78.3Confident1 Ų158 Ų581%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-128.5157.9168.261.7177.4000109.5I65 E67 L77 I144 L164I65-I162 HydrophobicContact CB-CD1 4.36Å; I65-I162 HydrophobicContact CD1-CD1 4.46Å; I65-I162 HydrophobicContact CG2-CD1 3.74Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.07Å; E67-I162 VanDerWaalsContact OE2-CA 3.22Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.02Å; L77-I162 HydrophobicContact CB-CD1 4.13Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.16Å; L77-I162 HydrophobicContact CD2-CD1 3.73Å; L77-I162 HydrophobicContact CD2-CG1 4.1Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.31Å; I144-I162 HydrophobicContact CD1-CG1 4.02Å; I144-I162 PolarHBondContact N-O 3.05Å; I144-I162 PolarHBondContact O-N 3.45Å; I162-L164 HydrophobicContact CB-CD1 4.3Å; I162-L164 HydrophobicContact CD1-CD1 3.63Å; I162-L164 HydrophobicContact CG1-CD1 3.77Å
163A94.6Very high81.1Confident19 Ų1954.5 Ų54.516%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-134.3105.1-17900000111K48 E67 F141 L142K48-A163 PolarHBondContact NZ-O 2.96Å; E67-A163 PolarHBondContact OE2-N 3.04Å; F141-A163 HydrophobicContact CD2-CB 4.01Å; F141-A163 HydrophobicContact CE2-CB 4.49Å; L142-A163 CarbonylContact O-C 3.57Å; L142-A163 WeakPolarHBondContact O-CA 3.49Å
164L95Very high83.3Confident0 Ų054.2 Ų54.20%031%0.313CS..EExtended strand (participates in β ladder)trans-91.6123.8-178.4-77.365.3000109.9F50 F141 L142 I144 I162 A166 L169 F172F50-L164 HydrophobicContact CD1-CD1 4.45Å; F50-L164 HydrophobicContact CE1-CD1 3.73Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.5Å; F50-L164 HydrophobicContact CZ-CD1 4.17Å; F50-L164 HydrophobicContact CZ-CG 3.98Å; F141-L164 CarbonylContact C-O 3.55Å; F141-L164 WeakPolarHBondContact CA-O 3.46Å; F141-L164 WeakPolarHBondContact CB-O 3.36Å; L142-L164 PolarHBondContact N-O 3.37Å; L142-L164 PolarHBondContact O-N 2.88Å; I144-L164 HydrophobicContact CD1-CD1 3.57Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å; I144-L164 HydrophobicContact CD1-CG 4.46Å; I162-L164 HydrophobicContact CB-CD1 4.3Å; I162-L164 HydrophobicContact CD1-CD1 3.63Å; I162-L164 HydrophobicContact CG1-CD1 3.77Å; L164-A166 PolarHBondContact O-N 3.25Å; L164-L169 HydrophobicContact CB-CD2 4.19Å; L164-L169 HydrophobicContact CD2-CD2 4.34Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.59Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.81Å; L164-F172 HydrophobicContact CD2-CG 3.54Å; L164-F172 HydrophobicContact CD2-CZ 3.99Å; L164-F172 HydrophobicContact CG-CD2 4.28Å; L164-F172 HydrophobicContact CG-CE2 4.36Å
165P95.7Very high85.5Confident6 Ų649 Ų494%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-59136.9170-21.333.2000111.2I45 Q46 K48 Q167 G168I45-P165 HydrophobicContact CB-CG 4.43Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; Q46-P165 HydrophobicContact CG-CB 4.23Å; Q46-P165 HydrophobicContact CG-CG 4.38Å; K48-P165 HydrophobicContact CD-CG 4.41Å; P165-Q167 PolarHBondContact O-N 3.41Å; P165-G168 PolarHBondContact O-N 2.94Å; P165-G168 VanDerWaalsContact O-N 3.09Å
166A94.9Very high87.8Confident3 Ų346 Ų463%0.02526%0.257CS..G310 helixtrans-60.5-31.7-173.800000112.8Y98 L133 R140 L164 G168 L169Y98-A166 HydrophobicContact CD2-CB 3.79Å; Y98-A166 HydrophobicContact CE1-CB 4.27Å; Y98-A166 HydrophobicContact CE2-CB 3.53Å; Y98-A166 HydrophobicContact CG-CB 4.28Å; L133-A166 HydrophobicContact CD1-CB 4.4Å; R140-A166 HydrophobicContact CB-CB 3.82Å; R140-A166 WeakPolarHBondContact O-CB 3.33Å; R140-A166 PolarHBondContact O-N 3.21Å; L164-A166 PolarHBondContact O-N 3.25Å; A166-G168 PolarHBondContact O-N 3.17Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CG 3.49Å; A166-L169 PolarHBondContact O-N 3.22Å
167Q93.8Very high90.1Very high102 Ų10241.3 Ų41.348%0.47722%0.224SC..G310 helixtrans-62.5-24.2179.1-63.385.8-7.900113.6P165P165-Q167 PolarHBondContact O-N 3.41Å
168G95.7Very high92.2Very high4 Ų444.9 Ų44.94%0.04123%0.229CC..G310 helixtrans-1039.5179.800000114.3P165 A166 I170 E171 F172P165-G168 PolarHBondContact O-N 2.94Å; P165-G168 VanDerWaalsContact O-N 3.09Å; A166-G168 PolarHBondContact O-N 3.17Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.06Å; G168-E171 PolarHBondContact O-N 2.97Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.22Å; G168-F172 PolarHBondContact O-N 3.26Å
169L96.6Very high93.9Very high1 Ų136.4 Ų36.41%0.00519%0.19CC..Hα-helixtrans-62.4-38.2-178.5-68.8173.9000112.3L91 I95 L142 L164 A166 R173L91-L169 HydrophobicContact CD2-CD2 3.87Å; I95-L169 HydrophobicContact CD1-CB 4.17Å; I95-L169 HydrophobicContact CG1-CB 3.65Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.86Å; L164-L169 HydrophobicContact CB-CD2 4.19Å; L164-L169 HydrophobicContact CD2-CD2 4.34Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CG 3.49Å; A166-L169 PolarHBondContact O-N 3.22Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.21Å; L169-R173 PolarHBondContact O-N 3.39Å
170I96.9Very high95.2Very high87 Ų8735.7 Ų35.745%0.44618%0.179SC..Hα-helixtrans-64.4-52.9178.9-61.8173.5000110.3I95 G168 F172 R173 D174I95-I170 HydrophobicContact CD1-CB 4.48Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.06Å; I95-I170 HydrophobicContact CG2-CD1 4.14Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.06Å; I170-F172 VanDerWaalsContact C-N 3.29Å; I170-F172 PolarHBondContact O-N 2.9Å; I170-R173 WeakPolarHBondContact O-CB 3.4Å; I170-R173 PolarHBondContact O-N 3.49Å; I170-R173 VanDerWaalsContact O-N 3.15Å; I170-D174 VanDerWaalsContact O-CG 3.24Å; I170-D174 PolarHBondContact O-N 2.99Å
171E97.5Very high95.5Very high101 Ų10139 Ų3947%0.47220%0.199SC..Hα-helixtrans-60.4-40.4179.3-168.6-173.4170.500111.7V43 G168 D174 A175V43-E171 HydrophobicContact CG1-CB 4.29Å; V43-E171 HydrophobicContact CG1-CG 3.79Å; G168-E171 PolarHBondContact O-N 2.97Å; E171-D174 PolarHBondContact O-N 3.26Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 2.8Å
172F97.8Very high95.5Very high0 Ų041.4 Ų41.40%021%0.21CC..Hα-helixtrans-64.7-43.8176.2-165.3-78.2000111.9I45 F50 L52 I65 F87 L91 L164 G168 I170 L176I45-F172 HydrophobicContact CD1-CB 4.34Å; I45-F172 HydrophobicContact CD1-CD2 4.31Å; F50-F172 HydrophobicContact CB-CD2 4.35Å; F50-F172 HydrophobicContact CB-CE2 3.92Å; F50-F172 HydrophobicContact CD1-CE2 4.04Å; F50-F172 HydrophobicContact CG-CD2 4.35Å; F50-F172 HydrophobicContact CG-CE2 4.02Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.65Å; L52-F172 HydrophobicContact CD1-CZ 3.97Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.36Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.28Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.4Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.87Å; F87-F172 AromaticContact CE1-CE1 3.91Å; F87-F172 HydrophobicContact CE1-CE1 3.91Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.59Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.81Å; L164-F172 HydrophobicContact CD2-CG 3.54Å; L164-F172 HydrophobicContact CD2-CZ 3.99Å; L164-F172 HydrophobicContact CG-CD2 4.28Å; L164-F172 HydrophobicContact CG-CE2 4.36Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.22Å; G168-F172 PolarHBondContact O-N 3.26Å; I170-F172 VanDerWaalsContact C-N 3.29Å; I170-F172 PolarHBondContact O-N 2.9Å; F172-L176 VanDerWaalsContact O-CB 3.28Å; F172-L176 WeakPolarHBondContact O-CB 3.29Å; F172-L176 PolarHBondContact O-N 3.32Å
173R97.5Very high95.2Very high73 Ų7344.7 Ų44.728%0.27522%0.223SC..Hα-helixtrans-61.3-45.6176-179-155.264.7-172.6-1.1110.9R88 L91 I95 L169 I170 L176 A177R88-R173 HydrophobicContact CG-CG 4.14Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.23Å; I95-R173 HydrophobicContact CD1-CB 4.08Å; I95-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.21Å; L169-R173 PolarHBondContact O-N 3.39Å; I170-R173 WeakPolarHBondContact O-CB 3.4Å; I170-R173 PolarHBondContact O-N 3.49Å; I170-R173 VanDerWaalsContact O-N 3.15Å; R173-L176 WeakPolarHBondContact O-CB 3.47Å; R173-L176 PolarHBondContact O-N 2.86Å; R173-A177 WeakPolarHBondContact O-CB 3.39Å; R173-A177 PolarHBondContact O-N 2.85Å
174D97.7Very high94.4Very high74 Ų7444.8 Ų44.840%0.39623%0.226SC..Hα-helixtrans-68.8-39.8-177-65.2-10.6000111.4I170 E171 L176 A177 K178I170-D174 VanDerWaalsContact O-CG 3.24Å; I170-D174 PolarHBondContact O-N 2.99Å; E171-D174 PolarHBondContact O-N 3.26Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.49Å; D174-A177 PolarHBondContact O-N 3.19Å; D174-K178 WeakPolarHBondContact O-CB 3.27Å; D174-K178 PolarHBondContact O-N 2.97Å
175A97.4Very high93Very high11 Ų1148.2 Ų48.29%0.09125%0.247CC..Hα-helixtrans-60.7-42.5171.100000111.9K41 V43 L52 E171 L179K41-A175 HydrophobicContact CG-CB 3.98Å; V43-A175 HydrophobicContact CG2-CB 3.7Å; L52-A175 HydrophobicContact CD2-CB 4.43Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 2.8Å; A175-L179 WeakPolarHBondContact O-CG 3.24Å; A175-L179 PolarHBondContact O-N 2.82Å
176L96.3Very high90.9Very high1 Ų155.7 Ų55.71%0.00529%0.286CS..Hα-helixtrans-66.5-45.7177.3-179.660.8000111.9L52 L63 A84 F87 R88 L91 F172 R173 D174 K178 L179 I180L52-L176 HydrophobicContact CD2-CB 4.33Å; L63-L176 HydrophobicContact CD2-CD1 3.28Å; A84-L176 HydrophobicContact CB-CD1 4.3Å; F87-L176 HydrophobicContact CD1-CD2 3.66Å; F87-L176 HydrophobicContact CE1-CD2 4.22Å; F87-L176 HydrophobicContact CG-CD2 4.46Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.26Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å; F172-L176 VanDerWaalsContact O-CB 3.28Å; F172-L176 WeakPolarHBondContact O-CB 3.29Å; F172-L176 PolarHBondContact O-N 3.32Å; R173-L176 WeakPolarHBondContact O-CB 3.47Å; R173-L176 PolarHBondContact O-N 2.86Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.49Å; L176-K178 PolarHBondContact O-N 2.81Å; L176-L179 PolarHBondContact O-N 2.84Å; L176-I180 HydrophobicContact CD1-CD1 4Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.77Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 3.46Å
177A96.3Very high88.9Confident14 Ų1462.1 Ų62.112%0.11632%0.316CS..Hα-helixtrans-58-48.6177.800000110.6R88 R173 D174 L179 I180 D181R88-A177 HydrophobicContact CG-CB 4.1Å; R173-A177 WeakPolarHBondContact O-CB 3.39Å; R173-A177 PolarHBondContact O-N 2.85Å; D174-A177 PolarHBondContact O-N 3.19Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.96Å; A177-I180 CarbonylContact O-C 3.6Å; A177-I180 WeakPolarHBondContact O-CA 3.46Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 2.88Å; A177-D181 PolarHBondContact O-N 3.23Å
178K95.3Very high86.6Confident131 Ų13164.7 Ų64.757%0.5733%0.328SS*.Hα-helixtrans-58-43.2176.3-177.4170.9-178.7169.80112.9D174 L176 I180 D181 D182D174-K178 WeakPolarHBondContact O-CB 3.27Å; D174-K178 PolarHBondContact O-N 2.97Å; L176-K178 PolarHBondContact O-N 2.81Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 2.89Å; K178-D181 PolarHBondContact O-N 2.95Å; K178-D182 WeakPolarHBondContact CE-OD2 3.45Å; K178-D182 WeakPolarHBondContact O-CB 3.15Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 2.91Å
179L94.8Very high84.5Confident12 Ų1269.2 Ų69.26%0.06336%0.356CS..Hα-helixtrans-66.1-31176.9-71.3173.6000112.6A39 K41 L52 V54 L63 A175 L176 A177 Y183A39-L179 HydrophobicContact CB-CD2 3.85Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.47Å; K41-L179 HydrophobicContact CB-CG 4.49Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.94Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å; A175-L179 WeakPolarHBondContact O-CG 3.24Å; A175-L179 PolarHBondContact O-N 2.82Å; L176-L179 PolarHBondContact O-N 2.84Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.96Å; L179-Y183 HydrophobicContact CD2-CD2 4.32Å; L179-Y183 HydrophobicContact CD2-CE2 4.44Å; L179-Y183 WeakPolarHBondContact O-CA 3.48Å; L179-Y183 WeakPolarHBondContact O-CB 3.31Å; L179-Y183 PolarHBondContact O-N 2.86Å
180I92.8Very high82.5Confident15 Ų1571.9 Ų71.98%0.07738%0.379CS..Hα-helixtrans-75.2-36174.4-69.4163.7000110.9M81 A84 V85 R88 L176 A177 K178 G184M81-I180 HydrophobicContact CE-CG1 4.18Å; A84-I180 HydrophobicContact CB-CD1 4.2Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.26Å; V85-I180 HydrophobicContact CG2-CD1 4.44Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.43Å; L176-I180 HydrophobicContact CD1-CD1 4Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.77Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 3.46Å; A177-I180 CarbonylContact O-C 3.6Å; A177-I180 WeakPolarHBondContact O-CA 3.46Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 2.88Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 2.89Å; I180-G184 WeakPolarHBondContact O-CA 3.43Å; I180-G184 PolarHBondContact O-N 3.15Å
181D92.3Very high80.7Confident120 Ų12076.6 Ų76.664%0.64240%0.399SS*.Hα-helixtrans-71.1-41177.7-61.3-23000110.5A177 K178A177-D181 PolarHBondContact O-N 3.23Å; K178-D181 PolarHBondContact O-N 2.95Å
182D91.9Very high79.5Confident95 Ų9574.3 Ų74.351%0.50839%0.39SS..Hα-helixtrans-77.9-34.7-179.1-67.5-20000112.8K178K178-D182 WeakPolarHBondContact CE-OD2 3.45Å; K178-D182 WeakPolarHBondContact O-CB 3.15Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 2.91Å
183Y88.5Confident78.5Confident69 Ų6978.3 Ų78.327%0.27142%0.416SS..Hα-helixtrans-134.711.5-171.3-53.2-89.7000114L38 A39 V54 R61 L179 V185L38-Y183 HydrophobicContact CB-CD1 3.96Å; L38-Y183 HydrophobicContact CB-CE1 3.92Å; L38-Y183 HydrophobicContact CD1-CD1 4.18Å; A39-Y183 HydrophobicContact CB-CD2 4Å; A39-Y183 HydrophobicContact CB-CE1 4.32Å; A39-Y183 HydrophobicContact CB-CE2 3.42Å; A39-Y183 VanDerWaalsContact CB-CE2 3.42Å; V54-Y183 HydrophobicContact CG1-CG 4.24Å; R61-Y183 WeakPolarHBondContact CD-O 3.09Å; R61-Y183 VanDerWaalsContact NH1-C 3.3Å; R61-Y183 PolarHBondContact NH1-O 2.94Å; L179-Y183 HydrophobicContact CD2-CD2 4.32Å; L179-Y183 HydrophobicContact CD2-CE2 4.44Å; L179-Y183 WeakPolarHBondContact O-CA 3.48Å; L179-Y183 WeakPolarHBondContact O-CB 3.31Å; L179-Y183 PolarHBondContact O-N 2.86Å; Y183-V185 PolarHBondContact O-N 3.48Å
184G78.4Confident77.4Confident22 Ų2283.6 Ų83.623%0.22744%0.444CS..  trans-50137.9165.200000108.7R61 I180 D186R61-G184 PolarHBondContact NH1-O 2.86Å; I180-G184 WeakPolarHBondContact O-CA 3.43Å; I180-G184 PolarHBondContact O-N 3.15Å; G184-D186 PolarHBondContact O-N 3.41Å; G184-D186 VanDerWaalsContact O-N 3.16Å
185V65.5Low76.6Confident72 Ų7281.9 Ų81.944%0.43644%0.443SS..  trans-72.9112.2167.8-165.30000103R61 M81 Y183 E187R61-V185 HydrophobicContact CB-CG2 4.1Å; M81-V185 HydrophobicContact CB-CG2 3.83Å; M81-V185 HydrophobicContact CG-CG2 3.87Å; Y183-V185 PolarHBondContact O-N 3.48Å; V185-E187 HydrophobicContact CB-CB 4.18Å; V185-E187 HydrophobicContact CG1-CB 3.8Å; V185-E187 HydrophobicContact CG1-CG 4.33Å; V185-E187 PolarHBondContact O-N 3.37Å
186D52.1Low76.1Confident162 Ų16286 Ų8687%0.86647%0.468SS*.  trans-59.475.7145.7-78.6-37.2000104.4G184 E188G184-D186 PolarHBondContact O-N 3.41Å; G184-D186 VanDerWaalsContact O-N 3.16Å; D186-E188 PolarHBondContact O-N 3.41Å
187E52.3Low75.8Confident139 Ų13988.7 Ų88.765%0.6549%0.486SS*.  trans-75.267166-156.1177-15400102.6V185 P189V185-E187 HydrophobicContact CB-CB 4.18Å; V185-E187 HydrophobicContact CG1-CB 3.8Å; V185-E187 HydrophobicContact CG1-CG 4.33Å; V185-E187 PolarHBondContact O-N 3.37Å; E187-P189 WeakPolarHBondContact O-CD 3.42Å
188E46.2Very low75.6Confident155 Ų15591.7 Ų91.772%0.72450%0.5SS*.  trans-54.3103.5147-159.8166.7-14100101.4D186 A190D186-E188 PolarHBondContact O-N 3.41Å; E188-A190 PolarHBondContact O-N 3.35Å
189P51.7Low75.4Confident99 Ų9989.6 Ų89.664%0.64350%0.498SS*.  trans-52.9123.8-179.622.3-29.3000103.3E187 E191E187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-E191 PolarHBondContact O-N 2.93Å
190A54.7Low75.2Confident58 Ų5892.5 Ų92.548%0.47952%0.517SS..  trans-38.4120.6175.500000105.9E188 L192E188-A190 PolarHBondContact O-N 3.35Å; A190-L192 HydrophobicContact CB-CD2 4.41Å; A190-L192 HydrophobicContact CB-CG 4.19Å; A190-L192 VanDerWaalsContact O-CG 3.24Å; A190-L192 WeakPolarHBondContact O-CG 3.5Å; A190-L192 PolarHBondContact O-N 2.98Å
191E57.3Low75.1Confident185 Ų18599.3 Ų99.386%0.86455%0.553SS**  trans-62.289.8-172.5-76.5-169.2154.700107P189P189-E191 PolarHBondContact O-N 2.93Å
192L73.6Confident74.9Confident53 Ų5399.1 Ų99.128%0.27755%0.552SS.*PPolyproline II helixtrans-98.4136.7-176.7-70.6-178.2000105.6A190 E194 V209 G210 V216A190-L192 HydrophobicContact CB-CD2 4.41Å; A190-L192 HydrophobicContact CB-CG 4.19Å; A190-L192 VanDerWaalsContact O-CG 3.24Å; A190-L192 WeakPolarHBondContact O-CG 3.5Å; A190-L192 PolarHBondContact O-N 2.98Å; L192-E194 PolarHBondContact O-N 2.95Å; L192-V209 HydrophobicContact CB-CG1 4.24Å; L192-V209 HydrophobicContact CD1-CG1 4.31Å; L192-V209 HydrophobicContact CD2-CG1 3.98Å; L192-V209 HydrophobicContact CG-CG1 4.38Å; L192-G210 VanDerWaalsContact CD1-C 3.48Å; L192-V216 HydrophobicContact CD2-CG1 3.92Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å
193P77.1Confident74.9Confident85 Ų8597.9 Ų97.955%0.55254%0.542SS*.PPolyproline II helixtrans-58.1142.4-179.724.5-33.8000110.3G195 V209P193-G195 PolarHBondContact O-N 2.9Å; P193-V209 HydrophobicContact CG-CB 4.02Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.84Å
194E74.1Confident75.2Confident184 Ų184100.3 Ų100.386%0.8655%0.551SS**PPolyproline II helixtrans-59.4136.6177.2-165.6177.217900110.2L192 T196L192-E194 PolarHBondContact O-N 2.95Å; E194-T196 PolarHBondContact O-N 3.19Å
195G80.3Confident76Confident38 Ų38101.7 Ų101.739%0.39255%0.551SS.*PPolyproline II helixtrans-61.5138.9178.400000111P193 F207P193-G195 PolarHBondContact O-N 2.9Å; G195-F207 WeakPolarHBondContact CA-O 3.44Å
196T86.4Confident77.3Confident98 Ų98101.1 Ų101.160%0.60154%0.542SS*.EExtended strand (participates in β ladder)trans-108154176.3-61.30000110.1E194 F207E194-T196 PolarHBondContact O-N 3.19Å; T196-F207 PolarHBondContact N-O 2.87Å; T196-F207 PolarHBondContact O-N 3.13Å
197S90.3Very high79.4Confident57 Ų5796.4 Ų96.440%0.39951%0.514SS..EExtended strand (participates in β ladder)trans-134151.1171.272.10000112.3F205S197-F205 CarbonylContact C-O 3.52Å; S197-F205 WeakPolarHBondContact CA-O 3.47Å; S197-F205 WeakPolarHBondContact CB-O 3.43Å
198L92.3Very high81.2Confident77 Ų7791.8 Ų91.840%0.40349%0.494SS..EExtended strand (participates in β ladder)trans-129.7140.4173.160.794.5000109.6V200 R204 F205 F207L198-V200 HydrophobicContact CD1-CG2 3.78Å; L198-R204 WeakPolarHBondContact O-CA 3.21Å; L198-F205 HydrophobicContact CD1-CB 3.91Å; L198-F205 HydrophobicContact CD1-CD2 3.6Å; L198-F205 HydrophobicContact CD1-CG 4.11Å; L198-F205 HydrophobicContact CG-CB 4Å; L198-F205 PolarHBondContact N-O 3.48Å; L198-F205 PolarHBondContact O-N 3.34Å; L198-F207 HydrophobicContact CD2-CD2 4.44Å; L198-F207 HydrophobicContact CD2-CE2 3.41Å; L198-F207 VanDerWaalsContact CD2-CE2 3.41Å; L198-F207 HydrophobicContact CD2-CZ 3.84Å; L198-F207 HydrophobicContact CG-CE2 3.9Å
199T91.7Very high83.3Confident87 Ų8785.6 Ų85.653%0.53447%0.467SS..EExtended strand (participates in β ladder)trans-110.7128.2177.9-57.90000108.6K203 R204T199-K203 WeakPolarHBondContact CA-O 3.48Å; T199-R204 PolarHBondContact OG1-NE 2.91Å
200V91.3Very high84.9Confident73 Ų7381.7 Ų81.744%0.44245%0.445SS..EExtended strand (participates in β ladder)trans-135.5121.8176.7-178.30000107.4L198 N202 K203L198-V200 HydrophobicContact CD1-CG2 3.78Å; V200-N202 PolarHBondContact O-N 3.39Å; V200-K203 PolarHBondContact N-O 3.32Å; V200-K203 WeakPolarHBondContact O-CA 3.48Å; V200-K203 WeakPolarHBondContact O-CB 3.17Å; V200-K203 PolarHBondContact O-N 3.37Å; V200-K203 VanDerWaalsContact O-O 3.07Å
201D88.7Confident86.1Confident157 Ų15782.2 Ų82.284%0.8444%0.444SS*.THydrogen-bonded Turntrans50.8-125.7-172.9-52.3-42.3000111.9K203D201-K203 VanDerWaalsContact C-N 3.32Å
202N89.4Confident86.9Confident116 Ų11676.9 Ų76.962%0.6242%0.422SS*.THydrogen-bonded Turntrans-95.125.7175.7-16626.2000112.7V200V200-N202 PolarHBondContact O-N 3.39Å
203K92.3Very high86.2Confident70 Ų7079.7 Ų79.730%0.30443%0.432SS..EExtended strand (participates in β ladder)trans-123.7141.7178.6-59.2-176.3-176-153.40110.6T199 V200 D201 F205 E222 V223 K224T199-K203 WeakPolarHBondContact CA-O 3.48Å; V200-K203 PolarHBondContact N-O 3.32Å; V200-K203 WeakPolarHBondContact O-CA 3.48Å; V200-K203 WeakPolarHBondContact O-CB 3.17Å; V200-K203 PolarHBondContact O-N 3.37Å; V200-K203 VanDerWaalsContact O-O 3.07Å; D201-K203 VanDerWaalsContact C-N 3.32Å; K203-F205 HydrophobicContact CB-CE2 3.96Å; K203-F205 HydrophobicContact CB-CZ 4.43Å; K203-F205 HydrophobicContact CD-CE2 4.23Å; K203-F205 HydrophobicContact CD-CZ 4.01Å; K203-E222 HydrophobicContact CD-CG 4.27Å; K203-E222 VanDerWaalsContact CD-OE1 3.26Å; K203-E222 WeakPolarHBondContact CD-OE1 3.47Å; K203-E222 WeakPolarHBondContact CE-OE1 3.44Å; K203-E222 IonicContact NZ-OE1 2.77Å; K203-E222 PolarHBondContact NZ-OE1 3.46Å; K203-E222 IonicContact NZ-OE2 2.79Å; K203-V223 WeakPolarHBondContact CA-O 3.29Å; K203-K224 HydrophobicContact CG-CD 4.44Å; K203-K224 HydrophobicContact CG-CG 4.02Å
204R93.7Very high85.9Confident119 Ų11984.7 Ų84.745%0.44944%0.441SS..EExtended strand (participates in β ladder)trans-118.3128.9167.8-169.4176.1-67.9176.24.4109.8L198 T199 F206 V223L198-R204 WeakPolarHBondContact O-CA 3.21Å; T199-R204 PolarHBondContact OG1-NE 2.91Å; R204-F206 HydrophobicContact CB-CE2 4.1Å; R204-F206 HydrophobicContact CG-CD2 4.2Å; R204-F206 HydrophobicContact CG-CE2 3.68Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; R204-V223 PolarHBondContact N-O 2.8Å; R204-V223 PolarHBondContact O-N 2.85Å
205F96.1Very high86.1Confident52 Ų5277.7 Ų77.723%0.22842%0.418CS..EExtended strand (participates in β ladder)trans-103.8126.2174-62.1-92.2000109.5S197 L198 K203 F207 S221 E222S197-F205 CarbonylContact C-O 3.52Å; S197-F205 WeakPolarHBondContact CA-O 3.47Å; S197-F205 WeakPolarHBondContact CB-O 3.43Å; L198-F205 HydrophobicContact CD1-CB 3.91Å; L198-F205 HydrophobicContact CD1-CD2 3.6Å; L198-F205 HydrophobicContact CD1-CG 4.11Å; L198-F205 HydrophobicContact CG-CB 4Å; L198-F205 PolarHBondContact N-O 3.48Å; L198-F205 PolarHBondContact O-N 3.34Å; K203-F205 HydrophobicContact CB-CE2 3.96Å; K203-F205 HydrophobicContact CB-CZ 4.43Å; K203-F205 HydrophobicContact CD-CE2 4.23Å; K203-F205 HydrophobicContact CD-CZ 4.01Å; F205-F207 HydrophobicContact CB-CE2 3.84Å; F205-F207 HydrophobicContact CB-CZ 4.28Å; F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.32Å; F205-E222 HydrophobicContact CD1-CB 3.98Å; F205-E222 HydrophobicContact CD1-CG 4.29Å; F205-E222 HydrophobicContact CE1-CB 3.72Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å
206F92.5Very high86.5Confident60 Ų6078.1 Ų78.126%0.26341%0.414SS..EExtended strand (participates in β ladder)trans-107.7138.2175.5-66.1-95.5000110R204 V220 S221 V223R204-F206 HydrophobicContact CB-CE2 4.1Å; R204-F206 HydrophobicContact CG-CD2 4.2Å; R204-F206 HydrophobicContact CG-CE2 3.68Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; F206-V220 CarbonylContact O-C 3.52Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.32Å; F206-S221 PolarHBondContact N-O 2.63Å; F206-S221 PolarHBondContact O-N 3.23Å; F206-V223 HydrophobicContact CD2-CB 4.44Å; F206-V223 HydrophobicContact CD2-CG2 3.69Å; F206-V223 HydrophobicContact CE2-CB 4.1Å; F206-V223 HydrophobicContact CE2-CG2 3.68Å
207F95.4Very high86.8Confident62 Ų6275.1 Ų75.127%0.27239%0.392SS..EExtended strand (participates in β ladder)trans-120.986.4178.1-60.7-98.3000108G195 T196 L198 F205 M218 V220G195-F207 WeakPolarHBondContact CA-O 3.44Å; T196-F207 PolarHBondContact N-O 2.87Å; T196-F207 PolarHBondContact O-N 3.13Å; L198-F207 HydrophobicContact CD2-CD2 4.44Å; L198-F207 HydrophobicContact CD2-CE2 3.41Å; L198-F207 VanDerWaalsContact CD2-CE2 3.41Å; L198-F207 HydrophobicContact CD2-CZ 3.84Å; L198-F207 HydrophobicContact CG-CE2 3.9Å; F205-F207 HydrophobicContact CB-CE2 3.84Å; F205-F207 HydrophobicContact CB-CZ 4.28Å; F207-M218 HydrophobicContact CB-SD 4.36Å; F207-M218 HydrophobicContact CD1-SD 4.06Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.87Å; F207-V220 HydrophobicContact CE1-CG1 3.76Å; F207-V220 HydrophobicContact CE1-CG2 4.11Å; F207-V220 HydrophobicContact CZ-CG1 4.19Å
208D91.4Very high87Confident42 Ų4274.8 Ų74.823%0.22539%0.385CS..EExtended strand (participates in β ladder)trans-95.8119.8-176.5-50-42.6000109.4M218 R219D208-M218 CarbonylContact O-C 3.52Å; D208-M218 WeakPolarHBondContact O-CA 3.31Å; D208-R219 HydrophobicContact CB-CB 4.47Å; D208-R219 PolarHBondContact N-O 3.48Å; D208-R219 PolarHBondContact O-N 2.86Å; D208-R219 IonicContact OD2-CZ 3.99Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.28Å; D208-R219 IonicContact OD2-NH2 2.69Å; D208-R219 PolarHBondContact OD2-NH2 2.63Å
209V89.7Confident87.1Confident26 Ų2675.4 Ų75.416%0.15838%0.382CS..EExtended strand (participates in β ladder)trans-85.8128.7167.9-177.60000108.7L192 P193 V216 F217 M218 W238L192-V209 HydrophobicContact CB-CG1 4.24Å; L192-V209 HydrophobicContact CD1-CG1 4.31Å; L192-V209 HydrophobicContact CD2-CG1 3.98Å; L192-V209 HydrophobicContact CG-CG1 4.38Å; P193-V209 HydrophobicContact CG-CB 4.02Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.84Å; V209-V216 HydrophobicContact CG1-CG1 3.69Å; V209-F217 WeakPolarHBondContact CA-O 3.38Å; V209-M218 HydrophobicContact CG2-CE 3.92Å; V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.43Å; V209-W238 HydrophobicContact CG2-CH2 4.11Å
210G84.6Confident87.3Confident17 Ų1772.6 Ų72.618%0.17536%0.364CS..EExtended strand (participates in β ladder)trans-137.6161.9178.300000110.9L192 V216 F217L192-G210 VanDerWaalsContact CD1-C 3.48Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.35Å; G210-F217 PolarHBondContact N-O 3.35Å; G210-F217 VanDerWaalsContact O-CD1 3.32Å; G210-F217 WeakPolarHBondContact O-CD1 3.25Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å
211S81.3Confident87.5Confident68 Ų6869.1 Ų69.148%0.47634%0.343SS..EExtended strand (participates in β ladder)trans-115.4146.3170.258.70000109.7
212N73Confident87.7Confident74 Ų7463.7 Ų63.740%0.39631%0.313SS..EExtended strand (participates in β ladder)trans-143.1-177.4166.865.936.9000108.8Y214 G215 F217N212-Y214 PolarHBondContact O-N 3.22Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.47Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.43Å; N212-Y214 PolarHBondContact OD1-N 2.89Å; N212-G215 PolarHBondContact N-O 2.89Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 2.85Å; N212-F217 HydrophobicContact CB-CD1 4.43Å; N212-F217 HydrophobicContact CB-CE1 3.9Å; N212-F217 VanDerWaalsContact ND2-CD1 3.35Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.3Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.38Å
213K59.3Low87.9Confident112 Ų11260 Ų6049%0.48729%0.294SS..THydrogen-bonded Turntrans-56.9-12.8178.767.8178.3-174.6164.90115.8K59K59-K213 HydrophobicContact CG-CD 4.1Å
214Y71.4Confident87.8Confident189 Ų18960.4 Ų60.474%0.74130%0.296SS*.THydrogen-bonded Turntrans-100.72.7177-58.2-70.1000113N212N212-Y214 PolarHBondContact O-N 3.22Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.47Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.43Å; N212-Y214 PolarHBondContact OD1-N 2.89Å
215G77.6Confident87.5Confident37 Ų3760 Ų6038%0.38131%0.309SS..EExtended strand (participates in β ladder)trans111.2-172.7-179.800000113.4N212N212-G215 PolarHBondContact N-O 2.89Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 2.85Å
216V88.8Confident87.1Confident48 Ų4864 Ų6429%0.29134%0.338SS..EExtended strand (participates in β ladder)trans-71.8139.9175.7-178.70000110L192 V209 G210 C235 W238L192-V216 HydrophobicContact CD2-CG1 3.92Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å; V209-V216 HydrophobicContact CG1-CG1 3.69Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.35Å; V216-C235 HydrophobicContact CB-CB 3.88Å; V216-C235 HydrophobicContact CG1-CB 4.17Å; V216-C235 WeakPolarHBondContact O-CB 3.46Å; V216-C235 PolarHBondContact O-N 2.81Å; V216-W238 HydrophobicContact CG1-CH2 3.77Å; V216-W238 HydrophobicContact CG1-CZ2 4.16Å
217F92.3Very high86.8Confident34 Ų3466.9 Ų66.915%0.14935%0.348CS..EExtended strand (participates in β ladder)trans-142.8159.217867.4-90.5000110.9V209 G210 N212 R219 T232 V233V209-F217 WeakPolarHBondContact CA-O 3.38Å; G210-F217 PolarHBondContact N-O 3.35Å; G210-F217 VanDerWaalsContact O-CD1 3.32Å; G210-F217 WeakPolarHBondContact O-CD1 3.25Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å; N212-F217 HydrophobicContact CB-CD1 4.43Å; N212-F217 HydrophobicContact CB-CE1 3.9Å; N212-F217 VanDerWaalsContact ND2-CD1 3.35Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.3Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.38Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; F217-T232 HydrophobicContact CB-CG2 3.85Å; F217-T232 HydrophobicContact CD2-CG2 3.54Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.81Å; F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.47Å
218M94.5Very high86.6Confident50 Ų5070.8 Ų70.825%0.24636%0.361CS..EExtended strand (participates in β ladder)trans-112.3127.1171.2-177.7-179.6-70.200108F207 D208 V209 V220 V233 W238F207-M218 HydrophobicContact CB-SD 4.36Å; F207-M218 HydrophobicContact CD1-SD 4.06Å; D208-M218 CarbonylContact O-C 3.52Å; D208-M218 WeakPolarHBondContact O-CA 3.31Å; V209-M218 HydrophobicContact CG2-CE 3.92Å; M218-V220 HydrophobicContact CG-CG2 4.16Å; M218-V220 HydrophobicContact SD-CG2 4.17Å; M218-V233 PolarHBondContact N-O 3.18Å; M218-V233 PolarHBondContact O-N 3.21Å; M218-W238 HydrophobicContact CB-CZ2 3.62Å
219R94.6Very high86.7Confident90 Ų9072.4 Ų72.434%0.3437%0.37SS..EExtended strand (participates in β ladder)trans-98.1114.6170.8-174.7176.761.1-151-4.5108.7D208 F217 I231D208-R219 HydrophobicContact CB-CB 4.47Å; D208-R219 PolarHBondContact N-O 3.48Å; D208-R219 PolarHBondContact O-N 2.86Å; D208-R219 IonicContact OD2-CZ 3.99Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.28Å; D208-R219 IonicContact OD2-NH2 2.69Å; D208-R219 PolarHBondContact OD2-NH2 2.63Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; R219-I231 WeakPolarHBondContact CA-O 3.28Å
220V95.4Very high87Confident28 Ų2873.8 Ų73.817%0.1738%0.38CS..EExtended strand (participates in β ladder)trans-97.4111.8174-173.70000107.6F206 F207 M218 S230 I231F206-V220 CarbonylContact O-C 3.52Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.32Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.87Å; F207-V220 HydrophobicContact CE1-CG1 3.76Å; F207-V220 HydrophobicContact CE1-CG2 4.11Å; F207-V220 HydrophobicContact CZ-CG1 4.19Å; M218-V220 HydrophobicContact CG-CG2 4.16Å; M218-V220 HydrophobicContact SD-CG2 4.17Å; V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.09Å; V220-I231 HydrophobicContact CB-CD1 4.45Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 3.09Å; V220-I231 PolarHBondContact O-N 3.2Å
221S94.8Very high87.5Confident0 Ų077 Ų770%039%0.393CS..EExtended strand (participates in β ladder)trans-110.4125.4-178.4-48.60000111.1F205 F206 R228 N229F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.32Å; F206-S221 PolarHBondContact N-O 2.63Å; F206-S221 PolarHBondContact O-N 3.23Å; S221-R228 PolarHBondContact OG-NH2 3.34Å; S221-N229 CarbonylContact C-O 3.57Å; S221-N229 VanDerWaalsContact CA-O 3.27Å; S221-N229 WeakPolarHBondContact CA-O 3.43Å
222E94.3Very high88.1Confident43 Ų4377.8 Ų77.820%0.20140%0.395CS..EExtended strand (participates in β ladder)trans-89.6123.9163.6-179.7-176.2160.600108.9K203 F205 R228 N229K203-E222 HydrophobicContact CD-CG 4.27Å; K203-E222 VanDerWaalsContact CD-OE1 3.26Å; K203-E222 WeakPolarHBondContact CD-OE1 3.47Å; K203-E222 WeakPolarHBondContact CE-OE1 3.44Å; K203-E222 IonicContact NZ-OE1 2.77Å; K203-E222 PolarHBondContact NZ-OE1 3.46Å; K203-E222 IonicContact NZ-OE2 2.79Å; F205-E222 HydrophobicContact CD1-CB 3.98Å; F205-E222 HydrophobicContact CD1-CG 4.29Å; F205-E222 HydrophobicContact CE1-CB 3.72Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å; E222-R228 WeakPolarHBondContact O-CA 3.41Å; E222-N229 PolarHBondContact N-O 2.85Å; E222-N229 PolarHBondContact O-N 2.83Å
223V92.8Very high89.1Confident38 Ų3874.8 Ų74.823%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-123.3129.6-178.8-174.70000110.6K203 R204 F206 R228K203-V223 WeakPolarHBondContact CA-O 3.29Å; R204-V223 PolarHBondContact N-O 2.8Å; R204-V223 PolarHBondContact O-N 2.85Å; F206-V223 HydrophobicContact CD2-CB 4.44Å; F206-V223 HydrophobicContact CD2-CG2 3.69Å; F206-V223 HydrophobicContact CE2-CB 4.1Å; F206-V223 HydrophobicContact CE2-CG2 3.68Å; V223-R228 HydrophobicContact CG2-CG 4Å
224K90.8Very high90.8Very high79 Ų7972.1 Ų72.134%0.34337%0.373SS..EExtended strand (participates in β ladder)trans-122.2164.7166.4-69.6-175.2177.1-177.30108.9K203 T226 Y227K203-K224 HydrophobicContact CG-CD 4.44Å; K203-K224 HydrophobicContact CG-CG 4.02Å; K224-T226 PolarHBondContact O-N 2.85Å; K224-T226 VanDerWaalsContact O-N 3.09Å; K224-Y227 PolarHBondContact N-O 2.96Å; K224-Y227 PolarHBondContact O-N 2.89Å; K224-Y227 VanDerWaalsContact O-O 3.05Å
225P86.4Confident91.8Very high110 Ų11065.7 Ų65.771%0.71436%0.355SS*.THydrogen-bonded Turntrans-52.9-34.2178-2935.9000114.7
226T89Confident92.5Very high137 Ų13772.9 Ų72.984%0.8438%0.376SS*.THydrogen-bonded Turntrans-109.5-6-175.854.40000114.3K224K224-T226 PolarHBondContact O-N 2.85Å; K224-T226 VanDerWaalsContact O-N 3.09Å
227Y86.3Confident92.8Very high121 Ų12173.2 Ų73.248%0.47538%0.378SS..EExtended strand (participates in β ladder)trans-148.6136.9-169.5179.8-106.8000111.9K224 N229K224-Y227 PolarHBondContact N-O 2.96Å; K224-Y227 PolarHBondContact O-N 2.89Å; K224-Y227 VanDerWaalsContact O-O 3.05Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.46Å
228R91.3Very high92.9Very high143 Ų14375 Ų7554%0.5438%0.384SS..EExtended strand (participates in β ladder)trans-132.8125.1173.4178.2167.2-175.8-121.20.5109.8S221 E222 V223S221-R228 PolarHBondContact OG-NH2 3.34Å; E222-R228 WeakPolarHBondContact O-CA 3.41Å; V223-R228 HydrophobicContact CG2-CG 4Å
229N93.1Very high92.9Very high77 Ų7777 Ų7741%0.41240%0.403SS..EExtended strand (participates in β ladder)trans-120.2149.9172.6-163.411.3000109.8S221 E222 Y227S221-N229 CarbonylContact C-O 3.57Å; S221-N229 VanDerWaalsContact CA-O 3.27Å; S221-N229 WeakPolarHBondContact CA-O 3.43Å; E222-N229 PolarHBondContact N-O 2.85Å; E222-N229 PolarHBondContact O-N 2.83Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.46Å
230S94.8Very high92.9Very high54 Ų5480.3 Ų80.338%0.37842%0.419SS..EExtended strand (participates in β ladder)trans-152.3144.7176.662.80000112.8V220V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.09Å
231I95Very high92.9Very high85 Ų8584 Ų8444%0.43643%0.434SS..EExtended strand (participates in β ladder)trans-111.2154.1167.262.8169.4000110R219 V220 V233 F241R219-I231 WeakPolarHBondContact CA-O 3.28Å; V220-I231 HydrophobicContact CB-CD1 4.45Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 3.09Å; V220-I231 PolarHBondContact O-N 3.2Å; I231-V233 HydrophobicContact CD1-CG2 3.93Å; I231-V233 HydrophobicContact CG1-CG2 4.27Å; I231-F241 HydrophobicContact CD1-CZ 4.26Å
232T94.6Very high92.9Very high84 Ų8485.5 Ų85.552%0.51545%0.448SS..EExtended strand (participates in β ladder)trans-116.6120.7173.4-61.60000108.9F217F217-T232 HydrophobicContact CB-CG2 3.85Å; F217-T232 HydrophobicContact CD2-CG2 3.54Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.81Å
233V95.1Very high93Very high12 Ų1288.9 Ų88.97%0.07347%0.468CS..EExtended strand (participates in β ladder)trans-111.4112.6-177.6-168.80000108.9F217 M218 I231 V237 W238 F241F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.47Å; M218-V233 PolarHBondContact N-O 3.18Å; M218-V233 PolarHBondContact O-N 3.21Å; I231-V233 HydrophobicContact CD1-CG2 3.93Å; I231-V233 HydrophobicContact CG1-CG2 4.27Å; V233-V237 HydrophobicContact CG1-CG2 3.69Å; V233-W238 PolarHBondContact O-NE1 2.89Å; V233-F241 HydrophobicContact CG1-CD2 4.26Å; V233-F241 HydrophobicContact CG1-CG 4.34Å; V233-F241 HydrophobicContact CG2-CE2 4.45Å
234P94.3Very high93.1Very high55 Ų5590.5 Ų90.536%0.35748%0.478SS..EExtended strand (participates in β ladder)trans-62.9142.1176.7-23.334.2000112.5K236 V237 W238P234-K236 HydrophobicContact CB-CG 4.04Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-V237 WeakPolarHBondContact O-CG2 3.28Å; P234-V237 PolarHBondContact O-N 2.82Å; P234-W238 PolarHBondContact O-NE1 2.88Å
235C92.5Very high93.4Very high54 Ų5493.7 Ų93.737%0.36549%0.492SS..G310 helixtrans-53.3-39.9-177.9177.80000113.3V216 V237 W238V216-C235 HydrophobicContact CB-CB 3.88Å; V216-C235 HydrophobicContact CG1-CB 4.17Å; V216-C235 WeakPolarHBondContact O-CB 3.46Å; V216-C235 PolarHBondContact O-N 2.81Å; C235-V237 PolarHBondContact O-N 2.9Å; C235-W238 VanDerWaalsContact CA-CE2 3.46Å; C235-W238 HydrophobicContact CB-CD2 4.17Å; C235-W238 HydrophobicContact CB-CE3 4.36Å; C235-W238 HydrophobicContact CB-CH2 4.19Å; C235-W238 HydrophobicContact CB-CZ2 3.97Å; C235-W238 HydrophobicContact CB-CZ3 4.38Å; C235-W238 WeakPolarHBondContact O-CB 3.25Å; C235-W238 PolarHBondContact O-N 3.18Å
236K91.7Very high93.9Very high188 Ų18891.9 Ų91.982%0.81748%0.481SS*.G310 helixtrans-56.1-16.3178.266177-177.4-178.60115.7P234P234-K236 HydrophobicContact CB-CG 4.04Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å
237V94.9Very high94.3Very high55 Ų5590.9 Ų90.933%0.33347%0.465SS..G310 helixtrans-113.1-0.6178.1-58.30000114.2V233 P234 C235 S239 K240 F241V233-V237 HydrophobicContact CG1-CG2 3.69Å; P234-V237 WeakPolarHBondContact O-CG2 3.28Å; P234-V237 PolarHBondContact O-N 2.82Å; C235-V237 PolarHBondContact O-N 2.9Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.81Å; V237-K240 PolarHBondContact O-N 3.46Å; V237-K240 VanDerWaalsContact O-N 3.13Å; V237-F241 WeakPolarHBondContact O-CB 3.42Å; V237-F241 PolarHBondContact O-N 2.83Å
238W94.6Very high94.8Very high72 Ų7291.6 Ų91.627%0.27347%0.468SS..Hα-helixtrans-56.6-44.4-174.8-71.3-4.6000113V209 V216 M218 V233 P234 C235 K240 F241 G242V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.43Å; V209-W238 HydrophobicContact CG2-CH2 4.11Å; V216-W238 HydrophobicContact CG1-CH2 3.77Å; V216-W238 HydrophobicContact CG1-CZ2 4.16Å; M218-W238 HydrophobicContact CB-CZ2 3.62Å; V233-W238 PolarHBondContact O-NE1 2.89Å; P234-W238 PolarHBondContact O-NE1 2.88Å; C235-W238 VanDerWaalsContact CA-CE2 3.46Å; C235-W238 HydrophobicContact CB-CD2 4.17Å; C235-W238 HydrophobicContact CB-CE3 4.36Å; C235-W238 HydrophobicContact CB-CH2 4.19Å; C235-W238 HydrophobicContact CB-CZ2 3.97Å; C235-W238 HydrophobicContact CB-CZ3 4.38Å; C235-W238 WeakPolarHBondContact O-CB 3.25Å; C235-W238 PolarHBondContact O-N 3.18Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.16Å; W238-F241 PolarHBondContact O-N 2.82Å; W238-G242 PolarHBondContact O-N 2.74Å
239S93.8Very high95Very high93 Ų9387 Ų8765%0.6546%0.461SS*.Hα-helixtrans-60.1-42.5178.7-47.60000112.2V237 N243V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.81Å; S239-N243 VanDerWaalsContact O-CB 3.31Å; S239-N243 WeakPolarHBondContact O-CB 3.26Å; S239-N243 PolarHBondContact O-N 3.42Å; S239-N243 PolarHBondContact O-ND2 2.91Å; S239-N243 PolarHBondContact O-OD1 3.18Å
240K95.4Very high95.1Very high158 Ų15888.1 Ų88.169%0.68746%0.463SS*.Hα-helixtrans-67.9-41.4177.5-67.5-176.5179.8-178.70111.5V237 W238 T244V237-K240 PolarHBondContact O-N 3.46Å; V237-K240 VanDerWaalsContact O-N 3.13Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.16Å; K240-T244 WeakPolarHBondContact O-CB 3.19Å; K240-T244 PolarHBondContact O-N 2.7Å; K240-T244 VanDerWaalsContact O-N 3.08Å; K240-T244 PolarHBondContact O-OG1 2.87Å
241F95.5Very high95.2Very high107 Ų10789.3 Ų89.347%0.46946%0.463SS..Hα-helixtrans-63.2-48.8178.6-167.2-84.2000111I231 V233 V237 W238 T244 F245I231-F241 HydrophobicContact CD1-CZ 4.26Å; V233-F241 HydrophobicContact CG1-CD2 4.26Å; V233-F241 HydrophobicContact CG1-CG 4.34Å; V233-F241 HydrophobicContact CG2-CE2 4.45Å; V237-F241 WeakPolarHBondContact O-CB 3.42Å; V237-F241 PolarHBondContact O-N 2.83Å; W238-F241 PolarHBondContact O-N 2.82Å; F241-T244 PolarHBondContact O-N 3.28Å; F241-F245 PolarHBondContact O-N 2.89Å
242G94.4Very high95.2Very high30 Ų3090.3 Ų90.331%0.30947%0.467SS..Hα-helixtrans-61.4-48.5177.200000112.7W238 T244 F245 C246W238-G242 PolarHBondContact O-N 2.74Å; G242-T244 VanDerWaalsContact C-N 3.27Å; G242-T244 PolarHBondContact O-N 3.22Å; G242-F245 WeakPolarHBondContact O-CB 3.42Å; G242-F245 PolarHBondContact O-N 2.8Å; G242-F245 VanDerWaalsContact O-N 3.09Å; G242-C246 PolarHBondContact O-N 2.72Å; G242-C246 PolarHBondContact O-SG 3.19Å; G242-C246 VanDerWaalsContact O-SG 3.42Å
243N95.8Very high95.2Very high115 Ų11592.9 Ų92.962%0.61547%0.467SS*.Hα-helixtrans-58.3-41.4177.4-70.1-7000112.1S239 C246 K247S239-N243 VanDerWaalsContact O-CB 3.31Å; S239-N243 WeakPolarHBondContact O-CB 3.26Å; S239-N243 PolarHBondContact O-N 3.42Å; S239-N243 PolarHBondContact O-ND2 2.91Å; S239-N243 PolarHBondContact O-OD1 3.18Å; N243-C246 PolarHBondContact O-N 3.07Å; N243-K247 WeakPolarHBondContact O-CB 3.22Å; N243-K247 PolarHBondContact O-N 2.95Å
244T96.9Very high95.1Very high72 Ų7297.6 Ų97.644%0.44249%0.487SS..Hα-helixtrans-63.7-43.2176.8-55.10000111K240 F241 G242 K247 Y248K240-T244 WeakPolarHBondContact O-CB 3.19Å; K240-T244 PolarHBondContact O-N 2.7Å; K240-T244 VanDerWaalsContact O-N 3.08Å; K240-T244 PolarHBondContact O-OG1 2.87Å; F241-T244 PolarHBondContact O-N 3.28Å; G242-T244 VanDerWaalsContact C-N 3.27Å; G242-T244 PolarHBondContact O-N 3.22Å; T244-K247 PolarHBondContact O-N 3.49Å; T244-Y248 HydrophobicContact CG2-CD2 3.89Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.47Å; T244-Y248 PolarHBondContact O-N 2.77Å
245F96.3Very high95.1Very high146 Ų14698.7 Ų98.764%0.6449%0.489SS*.Hα-helixtrans-62.2-47.3176.7-172-90.7000112.1F241 G242 K247 Y248 A249F241-F245 PolarHBondContact O-N 2.89Å; G242-F245 WeakPolarHBondContact O-CB 3.42Å; G242-F245 PolarHBondContact O-N 2.8Å; G242-F245 VanDerWaalsContact O-N 3.09Å; F245-K247 PolarHBondContact O-N 2.77Å; F245-Y248 PolarHBondContact O-N 2.82Å; F245-A249 PolarHBondContact O-N 2.85Å
246C96.8Very high95Very high71 Ų71102.3 Ų102.348%0.4850%0.501SS..Hα-helixtrans-59.1-44.5177.6-69.20000112.1G242 N243 Y248 A249 E250G242-C246 PolarHBondContact O-N 2.72Å; G242-C246 PolarHBondContact O-SG 3.19Å; G242-C246 VanDerWaalsContact O-SG 3.42Å; N243-C246 PolarHBondContact O-N 3.07Å; C246-Y248 PolarHBondContact O-N 2.81Å; C246-A249 WeakPolarHBondContact O-CB 3.39Å; C246-A249 PolarHBondContact O-N 2.83Å; C246-E250 PolarHBondContact O-N 2.78Å
247K96.7Very high95.1Very high117 Ų11797.1 Ų97.151%0.50948%0.479SS..Hα-helixtrans-55-50.4176179.9-173171.7-173.90111.5N243 T244 F245 A249 E250 E251N243-K247 WeakPolarHBondContact O-CB 3.22Å; N243-K247 PolarHBondContact O-N 2.95Å; T244-K247 PolarHBondContact O-N 3.49Å; F245-K247 PolarHBondContact O-N 2.77Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 2.9Å; K247-E250 PolarHBondContact O-N 3.27Å; K247-E251 WeakPolarHBondContact CE-OE1 3.21Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 PolarHBondContact O-N 2.78Å
248Y97.3Very high94.9Very high136 Ų136101 Ų10153%0.53349%0.488SS..Hα-helixtrans-68-33.4-179.9-75.3-59.7000112.9T244 F245 C246 E250 E251 M252T244-Y248 HydrophobicContact CG2-CD2 3.89Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.47Å; T244-Y248 PolarHBondContact O-N 2.77Å; F245-Y248 PolarHBondContact O-N 2.82Å; C246-Y248 PolarHBondContact O-N 2.81Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 3.29Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.21Å; Y248-E251 PolarHBondContact O-N 2.99Å; Y248-M252 WeakPolarHBondContact O-CB 3.28Å; Y248-M252 WeakPolarHBondContact O-CG 3.36Å; Y248-M252 PolarHBondContact O-N 2.83Å
249A95.6Very high94.4Very high47 Ų47101 Ų10139%0.38850%0.499SS..Hα-helixtrans-62.2-39.3174.200000112.1F245 C246 K247 R253F245-A249 PolarHBondContact O-N 2.85Å; C246-A249 WeakPolarHBondContact O-CB 3.39Å; C246-A249 PolarHBondContact O-N 2.83Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 2.9Å; A249-R253 PolarHBondContact O-N 2.92Å; A249-R253 VanDerWaalsContact O-N 3.13Å
250E95.3Very high94.1Very high99 Ų99105.2 Ų105.246%0.46350%0.501SS..Hα-helixtrans-68.6-42.4174.1-70.6178.6-179.600112.9C246 K247 Y248 M252 R253 K254C246-E250 PolarHBondContact O-N 2.78Å; K247-E250 PolarHBondContact O-N 3.27Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 3.29Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.23Å; E250-R253 WeakPolarHBondContact O-CB 3.4Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 2.92Å; E250-K254 VanDerWaalsContact O-N 3.08Å
251E96.3Very high93.6Very high80 Ų80103.6 Ų103.637%0.37450%0.495SS..Hα-helixtrans-60.6-42.7176.3-73.6-179.6177.700111.5K247 Y248 R253 K254 I255K247-E251 WeakPolarHBondContact CE-OE1 3.21Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 PolarHBondContact O-N 2.78Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.21Å; Y248-E251 PolarHBondContact O-N 2.99Å; E251-R253 VanDerWaalsContact C-N 3.33Å; E251-R253 PolarHBondContact O-N 2.79Å; E251-K254 PolarHBondContact O-N 2.83Å; E251-I255 WeakPolarHBondContact O-CG1 3.44Å; E251-I255 PolarHBondContact O-N 2.82Å
252M94.6Very high93Very high106 Ų106105.1 Ų105.152%0.52250%0.502SS..Hα-helixtrans-63.5-38.2175.7-74.4-62.5-73.200112.4Y248 E250 I255 Q256Y248-M252 WeakPolarHBondContact O-CB 3.28Å; Y248-M252 WeakPolarHBondContact O-CG 3.36Å; Y248-M252 PolarHBondContact O-N 2.83Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.23Å; M252-I255 PolarHBondContact O-N 3.36Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; M252-Q256 WeakPolarHBondContact O-CG 3.46Å; M252-Q256 PolarHBondContact O-N 2.98Å
253R94.6Very high92.4Very high137 Ų137112.3 Ų112.352%0.51752%0.52SS..Hα-helixtrans-60-47.3174.9-165-169.4-43.617110.2111.5A249 E250 E251 I255 Q256 E257A249-R253 PolarHBondContact O-N 2.92Å; A249-R253 VanDerWaalsContact O-N 3.13Å; E250-R253 WeakPolarHBondContact O-CB 3.4Å; E250-R253 PolarHBondContact O-N 3.4Å; E251-R253 VanDerWaalsContact C-N 3.33Å; E251-R253 PolarHBondContact O-N 2.79Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.89Å; R253-Q256 PolarHBondContact O-N 2.76Å; R253-Q256 VanDerWaalsContact O-N 3.15Å; R253-E257 WeakPolarHBondContact O-CG 3.32Å; R253-E257 PolarHBondContact O-N 3.28Å
254K94.3Very high91.5Very high112 Ų112109.5 Ų109.549%0.48751%0.513SS..Hα-helixtrans-61-36.8176.7-68174.4-176.6174.20112.3E250 E251 R258E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 2.92Å; E250-K254 VanDerWaalsContact O-N 3.08Å; E251-K254 PolarHBondContact O-N 2.83Å; K254-R258 WeakPolarHBondContact O-CB 3.17Å; K254-R258 WeakPolarHBondContact O-CG 3.21Å; K254-R258 PolarHBondContact O-N 3.48Å; K254-R258 VanDerWaalsContact O-N 3.08Å
255I94.2Very high90.6Very high78 Ų78109.6 Ų109.640%0.452%0.516SS..Hα-helixtrans-65.8-46175.3-67.5165.9000110.4E251 M252 R253 E257 R258 S259E251-I255 WeakPolarHBondContact O-CG1 3.44Å; E251-I255 PolarHBondContact O-N 2.82Å; M252-I255 PolarHBondContact O-N 3.36Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.89Å; I255-E257 PolarHBondContact O-N 3.44Å; I255-R258 PolarHBondContact O-N 2.97Å; I255-S259 WeakPolarHBondContact O-CB 3.3Å; I255-S259 PolarHBondContact O-N 3.34Å; I255-S259 PolarHBondContact O-OG 2.82Å; I255-S259 VanDerWaalsContact O-OG 3.07Å
256Q91.1Very high89.4Confident129 Ų129110 Ų11060%0.60352%0.52SS*.Hα-helixtrans-63.4-41.3179.1-71.7175.10.400112.2M252 R253 S259 R260M252-Q256 WeakPolarHBondContact O-CG 3.46Å; M252-Q256 PolarHBondContact O-N 2.98Å; R253-Q256 PolarHBondContact O-N 2.76Å; R253-Q256 VanDerWaalsContact O-N 3.15Å; Q256-S259 PolarHBondContact O-N 3.44Å; Q256-R260 WeakPolarHBondContact O-CB 3.37Å; Q256-R260 PolarHBondContact O-N 2.92Å
257E92.1Very high88Confident80 Ų80112.9 Ų112.937%0.37453%0.53SS..Hα-helixtrans-61.4-50.7175.7-74.6166.6176.600111.3R253 I255 S259 R260 E261R253-E257 WeakPolarHBondContact O-CG 3.32Å; R253-E257 PolarHBondContact O-N 3.28Å; I255-E257 PolarHBondContact O-N 3.44Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 2.98Å; E257-R260 WeakPolarHBondContact O-CB 3.39Å; E257-R260 PolarHBondContact O-N 3.27Å; E257-R260 VanDerWaalsContact O-N 3.08Å; E257-E261 WeakPolarHBondContact O-CG 3.31Å; E257-E261 PolarHBondContact O-N 2.91Å
258R90.8Very high86.1Confident136 Ų136113.7 Ų113.751%0.51354%0.539SS..Hα-helixtrans-59.6-40.7176-75.2-171.5-62.2-114.70.9112.8K254 I255 R260 E261 K262K254-R258 WeakPolarHBondContact O-CB 3.17Å; K254-R258 WeakPolarHBondContact O-CG 3.21Å; K254-R258 PolarHBondContact O-N 3.48Å; K254-R258 VanDerWaalsContact O-N 3.08Å; I255-R258 PolarHBondContact O-N 2.97Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R258-E261 PolarHBondContact O-N 2.75Å; R258-K262 WeakPolarHBondContact O-CB 3.29Å; R258-K262 WeakPolarHBondContact O-CG 3.39Å; R258-K262 PolarHBondContact O-N 2.97Å
259S85.5Confident84.2Confident72 Ų72112.6 Ų112.650%0.50355%0.549SS..Hα-helixtrans-65.5-36.5176.4-66.30000111.9I255 Q256 E257 R263I255-S259 WeakPolarHBondContact O-CB 3.3Å; I255-S259 PolarHBondContact O-N 3.34Å; I255-S259 PolarHBondContact O-OG 2.82Å; I255-S259 VanDerWaalsContact O-OG 3.07Å; Q256-S259 PolarHBondContact O-N 3.44Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 2.98Å; S259-R263 WeakPolarHBondContact O-CB 3.1Å; S259-R263 PolarHBondContact O-N 2.89Å; S259-R263 VanDerWaalsContact O-N 3.15Å
260R87.7Confident82.4Confident181 Ų181118.5 Ų118.568%0.68357%0.568SS**Hα-helixtrans-69.3-43.2176.2-171.617770.6179.81.5111.7Q256 E257 R258 R263 A264Q256-R260 WeakPolarHBondContact O-CB 3.37Å; Q256-R260 PolarHBondContact O-N 2.92Å; E257-R260 WeakPolarHBondContact O-CB 3.39Å; E257-R260 PolarHBondContact O-N 3.27Å; E257-R260 VanDerWaalsContact O-N 3.08Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R260-R263 PolarHBondContact O-N 2.84Å; R260-A264 WeakPolarHBondContact O-CB 3.32Å; R260-A264 PolarHBondContact O-N 2.67Å
261E84.5Confident80.3Confident124 Ų124116.4 Ų116.458%0.57957%0.573SS**Hα-helixtrans-62.8-45.8176.5-74.2170.3-178.800111.7E257 R258 R263 A264 S265E257-E261 WeakPolarHBondContact O-CG 3.31Å; E257-E261 PolarHBondContact O-N 2.91Å; R258-E261 PolarHBondContact O-N 2.75Å; E261-R263 VanDerWaalsContact C-N 3.35Å; E261-R263 PolarHBondContact O-N 3.04Å; E261-A264 PolarHBondContact O-N 3.07Å; E261-A264 VanDerWaalsContact O-N 3.16Å; E261-S265 PolarHBondContact O-N 3.28Å; E261-S265 PolarHBondContact O-OG 3.45Å
262K83.1Confident78.1Confident139 Ų139118.8 Ų118.860%0.60460%0.596SS**Hα-helixtrans-57.5-46.1174.4-77-177.6177.1-1680112.5R258 A264 S265 E266R258-K262 WeakPolarHBondContact O-CB 3.29Å; R258-K262 WeakPolarHBondContact O-CG 3.39Å; R258-K262 PolarHBondContact O-N 2.97Å; K262-A264 VanDerWaalsContact C-N 3.3Å; K262-A264 PolarHBondContact O-N 2.93Å; K262-S265 WeakPolarHBondContact CA-OG 3.35Å; K262-S265 PolarHBondContact O-N 3.46Å; K262-S265 PolarHBondContact O-OG 2.78Å; K262-E266 WeakPolarHBondContact O-CG 3.22Å; K262-E266 PolarHBondContact O-N 3.17Å
263R80.5Confident76.1Confident181 Ų181121.9 Ų121.968%0.68361%0.609SS**Hα-helixtrans-65.5-34.8177.8-168.4176.8-179.6-177.10.2112.2S259 R260 E261 L267S259-R263 WeakPolarHBondContact O-CB 3.1Å; S259-R263 PolarHBondContact O-N 2.89Å; S259-R263 VanDerWaalsContact O-N 3.15Å; R260-R263 PolarHBondContact O-N 2.84Å; E261-R263 VanDerWaalsContact C-N 3.35Å; E261-R263 PolarHBondContact O-N 3.04Å; R263-L267 HydrophobicContact CG-CD1 4.37Å; R263-L267 WeakPolarHBondContact O-CD1 3.43Å; R263-L267 WeakPolarHBondContact O-CG 3.3Å; R263-L267 PolarHBondContact O-N 2.78Å
264A77.9Confident74.1Confident57 Ų57118.8 Ų118.847%0.47162%0.619SS.*Hα-helixtrans-70.2-37.4175.800000112.2R260 E261 K262 L267R260-A264 WeakPolarHBondContact O-CB 3.32Å; R260-A264 PolarHBondContact O-N 2.67Å; E261-A264 PolarHBondContact O-N 3.07Å; E261-A264 VanDerWaalsContact O-N 3.16Å; K262-A264 VanDerWaalsContact C-N 3.3Å; K262-A264 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.11Å
265S76.9Confident72Confident73 Ų73117.6 Ų117.651%0.5163%0.63SS.*Hα-helixtrans-70-32.717654.70000113.5E261 K262 L267 L268E261-S265 PolarHBondContact O-N 3.28Å; E261-S265 PolarHBondContact O-OG 3.45Å; K262-S265 WeakPolarHBondContact CA-OG 3.35Å; K262-S265 PolarHBondContact O-N 3.46Å; K262-S265 PolarHBondContact O-OG 2.78Å; S265-L267 PolarHBondContact O-N 3.17Å; S265-L268 PolarHBondContact O-N 2.99Å
266E71.1Confident70.2Confident155 Ų155121.6 Ų121.672%0.72465%0.652SS**THydrogen-bonded Turntrans-74-13.6176.5-72.8169.8-176.500113.5K262K262-E266 WeakPolarHBondContact O-CG 3.22Å; K262-E266 PolarHBondContact O-N 3.17Å
267L67.1Low68.3Low131 Ų131122.4 Ų122.469%0.68666%0.661SS**THydrogen-bonded Turntrans-96.9-3.5178.4-75.9164.6000113.4R263 A264 S265R263-L267 HydrophobicContact CG-CD1 4.37Å; R263-L267 WeakPolarHBondContact O-CD1 3.43Å; R263-L267 WeakPolarHBondContact O-CG 3.3Å; R263-L267 PolarHBondContact O-N 2.78Å; A264-L267 PolarHBondContact O-N 3.11Å; S265-L267 PolarHBondContact O-N 3.17Å
268L58.8Low66.7Low134 Ų134121.4 Ų121.470%0.70267%0.672SS**SBendtrans-82.3117.4170-71.3168.8000108S265 E270S265-L268 PolarHBondContact O-N 2.99Å; L268-E270 PolarHBondContact O-N 3.3Å
269P55.6Low64.8Low113 Ų113122.8 Ų122.873%0.73469%0.69SS**PPolyproline II helixtrans-64.9138.2175.43.57.7000108.8G271P269-G271 PolarHBondContact O-N 3.23Å
270E58.3Low63.4Low172 Ų172126.4 Ų126.480%0.80470%0.704SS**PPolyproline II helixtrans-52120.1160.1-74.1-160.8150.200107.2L268L268-E270 PolarHBondContact O-N 3.3Å
271G52Low61.8Low55 Ų55129 Ų12957%0.56773%0.731SS**PPolyproline II helixtrans-53.3149.2178.600000109.8P269 H273P269-G271 PolarHBondContact O-N 3.23Å; G271-H273 PolarHBondContact O-N 3.42Å
272P49.9Very low60.7Low130 Ų130129.2 Ų129.284%0.84474%0.738SS**  trans-56.4115-172.624.7-31.9000108.3G274P272-G274 PolarHBondContact O-N 3.33Å
273H52.7Low59.5Low171 Ų171128.7 Ų128.779%0.79275%0.745SS**  trans-49.6113.2163-96.4-66.1000105.9G271 A275G271-H273 PolarHBondContact O-N 3.42Å; H273-A275 PolarHBondContact O-N 3.17Å
274G51.9Low58.4Low72 Ų72125.8 Ų125.874%0.74275%0.749SS**  trans-49.5117179.900000108.6P272 D276P272-G274 PolarHBondContact O-N 3.33Å; G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.47Å
275A51.3Low57.2Low86 Ų86129.8 Ų129.871%0.71177%0.765SS**  trans-59.2101.5160.500000106.2H273 D277H273-A275 PolarHBondContact O-N 3.17Å; A275-D277 PolarHBondContact O-N 3.29Å
276D54.7Low56Low162 Ų162133.4 Ų133.487%0.86678%0.781SS**  trans-83.673.1157.4-163.843.2000105.6G274G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.47Å
277D52.7Low55Low146 Ų146131.9 Ų131.978%0.78179%0.785SS**  trans-72.4123.5160.6-83.6-41000106.4A275A275-D277 PolarHBondContact O-N 3.29Å
278G57.8Low54.1Low60 Ų60132 Ų13262%0.61979%0.792SS**  trans-70.2-179-169.700000115.5
279D51.7Low53.7Low165 Ų165131.8 Ų131.888%0.88280%0.799SS**  -170.3152.2127.5-102.7-30.2000112
280D54.7Low53.6Low148 Ų148133.4 Ų133.479%0.79180%0.804SS**  trans-35.9143.3172.6-86.8-57.7000117.1
281D55.4Low53.2Low234 Ų234129.9 Ų129.9100%1.25180%0.804SS**  -172.2097.2-151.722.8000110.9

Retrieved 281 of 281 residues in 200.1 ms (Link to these results)