A0A077Z620_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z620, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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
1M31.8Very low42.7Very low242 Ų242162.7 Ų162.7100%1.19285%0.845SS**  01390-85.2-178.316100108.2
2P42.4Very low43.7Very low111 Ų111161.5 Ų161.572%0.72184%0.838SS**  -114.5153.8-93.95.115.8000114.5
3T41Very low43.7Very low134 Ų134162.2 Ų162.282%0.82283%0.831SS**  trans26.8104.7135.42.50000117.7E5T3-E5 PolarHBondContact O-N 2.87Å
4Q43.8Very low43.8Very low192 Ų192157.8 Ų157.890%0.89782%0.82SS**  trans-77.5110.5162.3-77.7-170.3-40.100109.9
5E43Very low43.8Very low182 Ų182153.8 Ų153.885%0.8581%0.81SS**  trans-77.8132.9160.5-68-174.2144.100109.3T3T3-E5 PolarHBondContact O-N 2.87Å
6T46.3Very low44.1Very low127 Ų127153.8 Ų153.878%0.77981%0.809SS**  trans-159.282.8158.1-6.40000109.3
7K39.4Very low44.5Very low206 Ų206151.5 Ų151.590%0.89680%0.802SS**  trans-126.885.4163.8-80.2-170177.8179.90107.5
8I48.6Very low45.1Very low161 Ų161148.4 Ų148.483%0.82680%0.796SS**  trans-121.188.8165.5-61172.4000105.8
9G40.5Very low45.4Very low68 Ų68145.9 Ų145.970%0.70179%0.786SS**  trans-81123.8155.800000107.3
10F47.1Very low45.4Very low189 Ų189144.5 Ų144.583%0.82978%0.783SS**  trans-152.8107148.9-126-89.9000108.4I12F10-I12 PolarHBondContact O-N 3.05Å
11F45.4Very low45.5Very low178 Ų178144.9 Ų144.978%0.78178%0.783SS**  trans-50.699.8166.4-94-115000109.9F13F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 AromaticContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CE1-CD2 4.26Å; F11-F13 HydrophobicContact CE1-CE2 4.49Å; F11-F13 PolarHBondContact O-N 2.82Å
12I54.8Low46.4Very low148 Ų148140.5 Ų140.576%0.75976%0.76SS**  trans-95.779.3161.8-61.8-179.2000106.8F10 C14F10-I12 PolarHBondContact O-N 3.05Å; I12-C14 HydrophobicContact CG2-CB 4.25Å; I12-C14 PolarHBondContact O-N 2.95Å
13F43.6Very low46.5Very low170 Ų170139.2 Ų139.275%0.74676%0.759SS**  trans-84.855172.2-135.5-92.1000108.9F11 C15F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 AromaticContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CE1-CD2 4.26Å; F11-F13 HydrophobicContact CE1-CE2 4.49Å; F11-F13 PolarHBondContact O-N 2.82Å; F13-C15 PolarHBondContact O-N 3.26Å
14C45Very low46.7Very low101 Ų101139.6 Ų139.668%0.68276%0.755SS**  trans-89.289.1169.9-95.30000107.9I12 L16I12-C14 HydrophobicContact CG2-CB 4.25Å; I12-C14 PolarHBondContact O-N 2.95Å; C14-L16 PolarHBondContact O-N 2.63Å
15C44.2Very low46.5Very low98 Ų98139.5 Ų139.566%0.66275%0.751SS**  trans-52.385.8162.3-75.40000109.8F13 V17F13-C15 PolarHBondContact O-N 3.26Å; C15-V17 HydrophobicContact CB-CG2 4.37Å; C15-V17 PolarHBondContact O-N 2.66Å
16L49.2Very low46.3Very low153 Ų153133.3 Ų133.380%0.80174%0.736SS**  trans-74.455.9160.2-72.4166.5000108.5C14 S18C14-L16 PolarHBondContact O-N 2.63Å; L16-S18 PolarHBondContact O-N 2.93Å
17V50.6Low46Very low115 Ų115136.7 Ų136.770%0.69774%0.74SS**  trans-79.171.3156.7-172.40000104.4C15 T19C15-V17 HydrophobicContact CB-CG2 4.37Å; C15-V17 PolarHBondContact O-N 2.66Å; V17-T19 PolarHBondContact O-N 2.96Å
18S54.4Low46.2Very low97 Ų97133.9 Ų133.968%0.67874%0.735SS**  trans-63.893.7162.3-72.10000104.6L16 T20L16-S18 PolarHBondContact O-N 2.93Å; S18-T20 PolarHBondContact O-N 2.98Å
19T51.5Low46Very low100 Ų100130.8 Ų130.861%0.61373%0.728SS**  trans-38.5112.3165.746.50000106.1V17 L21V17-T19 PolarHBondContact O-N 2.96Å; T19-L21 PolarHBondContact O-N 2.88Å
20T44.8Very low46.5Very low118 Ų118136.1 Ų136.172%0.72473%0.727SS**  trans-5393.6154.838.20000103.8S18 Q22S18-T20 PolarHBondContact O-N 2.98Å; T20-Q22 PolarHBondContact O-N 3.27Å
21L47.8Very low46.8Very low152 Ų152131.5 Ų131.580%0.79671%0.714SS**  trans-58.789.8156.8-100.9103000102.2T19 A23T19-L21 PolarHBondContact O-N 2.88Å; L21-A23 PolarHBondContact O-N 3.12Å
22Q50Low47.4Very low151 Ų151126.7 Ų126.771%0.70670%0.696SS**  trans-54.489.2153.5-66178.3-0.600102.6T20 I24T20-Q22 PolarHBondContact O-N 3.27Å; Q22-I24 HydrophobicContact CB-CG1 4.15Å; Q22-I24 PolarHBondContact O-N 3.11Å
23A44.4Very low48.3Very low84 Ų84125.9 Ų125.969%0.69469%0.689SS**  trans-6278.8158.700000104L21 K25L21-A23 PolarHBondContact O-N 3.12Å; A23-K25 PolarHBondContact O-N 3.01Å
24I45.5Very low50.3Low142 Ų142122.2 Ų122.273%0.72868%0.677SS**  trans-64.871.4152-52.8171.9000103Q22 G26Q22-I24 HydrophobicContact CB-CG1 4.15Å; Q22-I24 PolarHBondContact O-N 3.11Å; I24-G26 PolarHBondContact O-N 3.1Å
25K41Very low52.4Low189 Ų189119.8 Ų119.882%0.82266%0.655SS**  trans-62.177.5141.1-91.5179.4174.4172.90103.3A23 K27A23-K25 PolarHBondContact O-N 3.01Å; K25-K27 PolarHBondContact O-N 3.12Å
26G37.9Very low54.7Low53 Ų53118.3 Ų118.355%0.54665%0.646SS.*  trans-53.390.2143.200000103.7I24 N28I24-G26 PolarHBondContact O-N 3.1Å; G26-N28 PolarHBondContact O-N 3.01Å
27K40.2Very low56.8Low197 Ų197113.2 Ų113.286%0.85762%0.619SS**  trans-53.886.4144-93.6179.7170.1-178.90102.2K25 S29K25-K27 PolarHBondContact O-N 3.12Å; K27-S29 PolarHBondContact O-N 3.44Å
28N43.3Very low58.9Low148 Ų148112 Ų11279%0.79161%0.606SS**  trans-52.997.5152.2-100-7.5000101.7G26 R30G26-N28 PolarHBondContact O-N 3.01Å; N28-R30 PolarHBondContact O-N 3.25Å
29S44.5Very low60.9Low96 Ų96107.7 Ų107.767%0.67158%0.576SS**  trans-5986.8167.5-172.20000102.4K27 V31K27-S29 PolarHBondContact O-N 3.44Å; S29-V31 PolarHBondContact O-N 2.88Å
30R51.8Low63.1Low179 Ų179109.8 Ų109.868%0.67558%0.576SS**  trans-59.298.6157.5-73.1-175.8-171.9171.31.6100.5N28 D32N28-R30 PolarHBondContact O-N 3.25Å; R30-D32 PolarHBondContact O-N 2.94Å
31V53.4Low65.5Low92 Ų92111.6 Ų111.656%0.55857%0.57SS**  trans-61.987165.9173.10000102.6S29 Q33S29-V31 PolarHBondContact O-N 2.88Å; V31-Q33 HydrophobicContact CG1-CB 4.29Å; V31-Q33 HydrophobicContact CG1-CG 3.6Å; V31-Q33 PolarHBondContact O-N 3.37Å
32D58.6Low67.8Low78 Ų78107.1 Ų107.142%0.41755%0.547SS..  trans-72.770.2-178.1-103-31.5000105.5R30 D34 S100R30-D32 PolarHBondContact O-N 2.94Å; D32-D34 PolarHBondContact O-N 3.02Å; D32-S100 WeakPolarHBondContact OD1-CB 3.27Å; D32-S100 PolarHBondContact OD1-OG 2.83Å
33Q73.6Confident69.9Low131 Ų131101.6 Ų101.661%0.61252%0.521SS*.  trans-83.5115-175.3-103.1170.911.700108.2V31 F35 R55V31-Q33 HydrophobicContact CG1-CB 4.29Å; V31-Q33 HydrophobicContact CG1-CG 3.6Å; V31-Q33 PolarHBondContact O-N 3.37Å; Q33-F35 PolarHBondContact O-N 2.84Å; Q33-R55 VanDerWaalsContact O-CZ 3.27Å; Q33-R55 PolarHBondContact O-NH1 3.15Å; Q33-R55 PolarHBondContact O-NH2 3.32Å
34D84.5Confident72.1Confident92 Ų9298.1 Ų98.149%0.49249%0.49SS..  trans-51.1137.5162.7-57.6-20.3000109.1D32 T98 F99 S100D32-D34 PolarHBondContact O-N 3.02Å; D34-T98 VanDerWaalsContact CA-O 3.24Å; D34-T98 WeakPolarHBondContact CA-O 3.49Å; D34-F99 HydrophobicContact CB-CD1 4.06Å; D34-F99 WeakPolarHBondContact OD1-CA 3.23Å; D34-F99 WeakPolarHBondContact OD2-CD1 3.28Å; D34-S100 PolarHBondContact OD1-N 2.03Å
35F88.6Confident74.3Confident50 Ų5091.4 Ų91.422%0.21946%0.455CS..EExtended strand (participates in β ladder)trans-144.2162.6178.473.7-91.9000110.8Q33 I37 R55 E97 T98Q33-F35 PolarHBondContact O-N 2.84Å; F35-I37 HydrophobicContact CD2-CB 4.33Å; F35-I37 HydrophobicContact CD2-CD1 3.85Å; F35-I37 HydrophobicContact CD2-CG1 3.61Å; F35-I37 HydrophobicContact CE2-CB 3.95Å; F35-I37 HydrophobicContact CE2-CD1 3.17Å; F35-I37 HydrophobicContact CE2-CG1 3.37Å; F35-I37 HydrophobicContact CZ-CD1 3.97Å; F35-R55 HydrophobicContact CE1-CB 4.28Å; F35-R55 VanDerWaalsContact CE1-NH2 3.33Å; F35-R55 HydrophobicContact CZ-CB 4.43Å; F35-E97 WeakPolarHBondContact O-CA 3.01Å; F35-T98 WeakPolarHBondContact CD1-OG1 3.43Å; F35-T98 HydrophobicContact CE1-CG2 4.23Å; F35-T98 WeakPolarHBondContact CE1-OG1 3.39Å; F35-T98 HydrophobicContact CE2-CG2 3.91Å; F35-T98 WeakPolarHBondContact CE2-OG1 3.45Å; F35-T98 HydrophobicContact CZ-CG2 3.71Å; F35-T98 WeakPolarHBondContact CZ-OG1 3.27Å; F35-T98 PolarHBondContact N-O 3.38Å; F35-T98 VanDerWaalsContact N-O 3.08Å; F35-T98 PolarHBondContact O-N 2.87Å; F35-T98 PolarHBondContact O-OG1 2.83Å
36S92.6Very high76.5Confident68 Ų6883.4 Ų83.448%0.47642%0.422SS..EExtended strand (participates in β ladder)trans-116.7130.2175.1-176.80000109.8F96 I111S36-F96 WeakPolarHBondContact CA-O 3.34Å; S36-I111 WeakPolarHBondContact OG-CD1 3.28Å
37I93Very high78.8Confident45 Ų4581.7 Ų81.723%0.23140%0.402CS..EExtended strand (participates in β ladder)trans-123.3119.9172.8-82.8176.5000107.8F35 I58 G95 F96F35-I37 HydrophobicContact CD2-CB 4.33Å; F35-I37 HydrophobicContact CD2-CD1 3.85Å; F35-I37 HydrophobicContact CD2-CG1 3.61Å; F35-I37 HydrophobicContact CE2-CB 3.95Å; F35-I37 HydrophobicContact CE2-CD1 3.17Å; F35-I37 HydrophobicContact CE2-CG1 3.37Å; F35-I37 HydrophobicContact CZ-CD1 3.97Å; I37-I58 HydrophobicContact CG2-CB 4.29Å; I37-I58 HydrophobicContact CG2-CD1 3.39Å; I37-I58 HydrophobicContact CG2-CG1 3.37Å; I37-I58 HydrophobicContact CG2-CG2 4.24Å; I37-G95 CarbonylContact O-C 3.59Å; I37-G95 WeakPolarHBondContact O-CA 3.44Å; I37-F96 PolarHBondContact N-O 2.8Å; I37-F96 PolarHBondContact O-N 2.96Å
38Q95.9Very high80.9Confident90 Ų9072.3 Ų72.342%0.42136%0.361SS..EExtended strand (participates in β ladder)trans-140.1139.6-176.5-166-173.6-14.100110.8A94 I111Q38-A94 WeakPolarHBondContact CA-O 3.18Å; Q38-A94 HydrophobicContact CG-CB 4.17Å; Q38-A94 WeakPolarHBondContact CG-O 3.16Å; Q38-I111 HydrophobicContact CB-CD1 4.09Å; Q38-I111 HydrophobicContact CG-CD1 4.23Å; Q38-I111 HydrophobicContact CG-CG2 4.17Å
39C95.7Very high82.9Confident6 Ų665.8 Ų65.84%0.04133%0.328CS..  trans-67.3157.5169.2-61.40000111.8E43 Y44 C60 A94C39-E43 HydrophobicContact CB-CB 3.89Å; C39-Y44 VanDerWaalsContact SG-C 3.55Å; C39-C60 WeakPolarHBondContact CA-SG 3.02Å; C39-C60 HydrophobicContact CB-CB 3.74Å; C39-C60 WeakPolarHBondContact CB-SG 3.48Å; C39-C60 VanDerWaalsContact SG-CA 3.6Å; C39-C60 WeakPolarHBondContact SG-CB 3.41Å; C39-C60 CovalentContact SG-SG 2.03Å; C39-C60 PolarHBondContact SG-SG 2.81Å; C39-A94 PolarHBondContact N-O 3.24Å
40K97.2Very high84.7Confident144 Ų14465 Ų6563%0.62631%0.31SS*.  trans-63.5161.6175-62.2175.5-176169.70110.8N42 E43K40-N42 WeakPolarHBondContact CB-OD1 3.34Å; K40-N42 PolarHBondContact O-N 3.11Å; K40-E43 HydrophobicContact CB-CB 4.43Å; K40-E43 HydrophobicContact CB-CG 4.19Å; K40-E43 WeakPolarHBondContact CB-OE2 3.35Å; K40-E43 PolarHBondContact N-OE2 3.26Å; K40-E43 VanDerWaalsContact N-OE2 3.17Å; K40-E43 PolarHBondContact O-N 3.21Å
41R96.3Very high86.1Confident156 Ų15659.4 Ų59.459%0.58929%0.294SS*.THydrogen-bonded Turntrans-58.4-26.8-177.7-64179.989.5153.56.9113.5K68 A69 E70R41-K68 CarbonylContact O-C 3.54Å; R41-K68 VanDerWaalsContact O-CA 3.27Å; R41-K68 WeakPolarHBondContact O-CA 3.46Å; R41-A69 HydrophobicContact CB-CB 4.32Å; R41-A69 PolarHBondContact NE-O 2.75Å; R41-A69 WeakPolarHBondContact O-CB 3.47Å; R41-A69 PolarHBondContact O-N 3.33Å; R41-E70 PolarHBondContact NH2-O 3.39Å
42N95.4Very high87.4Confident58 Ų5861.2 Ų61.231%0.3131%0.311SS..THydrogen-bonded Turntrans-95.913.7177.766.5-48.1000113.3K40 L63 K68K40-N42 WeakPolarHBondContact CB-OD1 3.34Å; K40-N42 PolarHBondContact O-N 3.11Å; N42-L63 PolarHBondContact O-N 2.84Å; N42-K68 HydrophobicContact CB-CD 4.42Å; N42-K68 HydrophobicContact CB-CG 3.92Å
43E94.4Very high88.3Confident36 Ų3662.4 Ų62.417%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-127.1168.1-176.6-67.6170.7172.900110.8C39 K40 C60 Q61C39-E43 HydrophobicContact CB-CB 3.89Å; K40-E43 HydrophobicContact CB-CB 4.43Å; K40-E43 HydrophobicContact CB-CG 4.19Å; K40-E43 WeakPolarHBondContact CB-OE2 3.35Å; K40-E43 PolarHBondContact N-OE2 3.26Å; K40-E43 VanDerWaalsContact N-OE2 3.17Å; K40-E43 PolarHBondContact O-N 3.21Å; E43-C60 HydrophobicContact CB-CB 4.25Å; E43-Q61 CarbonylContact C-O 3.58Å; E43-Q61 WeakPolarHBondContact CA-O 3.38Å; E43-Q61 WeakPolarHBondContact CB-O 3.38Å
44Y91Very high88.4Confident11 Ų1157.5 Ų57.54%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-136.6158.1174.270.1-81.6000110.9C39 D46 C60 Q61 P62 L63 P147 W148 L149C39-Y44 VanDerWaalsContact SG-C 3.55Å; Y44-D46 HydrophobicContact CE2-CB 4.11Å; Y44-D46 PolarHBondContact O-N 3.17Å; Y44-C60 WeakPolarHBondContact O-CA 3.47Å; Y44-Q61 HydrophobicContact CD1-CB 4.27Å; Y44-Q61 WeakPolarHBondContact CD1-O 3.11Å; Y44-Q61 HydrophobicContact CE1-CB 3.62Å; Y44-Q61 WeakPolarHBondContact CE1-O 3.45Å; Y44-Q61 HydrophobicContact CE2-CB 4.5Å; Y44-Q61 PolarHBondContact N-O 3.24Å; Y44-Q61 PolarHBondContact O-N 3.26Å; Y44-P62 WeakPolarHBondContact CE1-O 3.3Å; Y44-L63 HydrophobicContact CD1-CD2 3.88Å; Y44-L63 HydrophobicContact CD1-CG 4.32Å; Y44-L63 HydrophobicContact CG-CD2 4.27Å; Y44-P147 HydrophobicContact CE1-CB 4.23Å; Y44-P147 WeakPolarHBondContact OH-CB 3.17Å; Y44-W148 WeakPolarHBondContact CD2-O 3.01Å; Y44-W148 WeakPolarHBondContact CE2-O 3.07Å; Y44-L149 HydrophobicContact CD1-CD2 4.22Å; Y44-L149 HydrophobicContact CD2-CD2 3.78Å; Y44-L149 HydrophobicContact CG-CD2 3.52Å
45V91.2Very high88.1Confident0 Ų055.8 Ų55.80%029%0.292CS..EExtended strand (participates in β ladder)trans-67.2116.9173.5179.80000109I48 I58 L93 Y150V45-I48 HydrophobicContact CG1-CD1 4.39Å; V45-I48 HydrophobicContact CG1-CG1 3.85Å; V45-I58 HydrophobicContact CG1-CB 4.29Å; V45-I58 HydrophobicContact CG1-CG2 4.39Å; V45-I58 HydrophobicContact CG2-CD1 4.04Å; V45-L93 HydrophobicContact CB-CD2 4.17Å; V45-L93 HydrophobicContact CB-CG 4.47Å; V45-L93 HydrophobicContact CG1-CD2 4.11Å; V45-L93 HydrophobicContact CG2-CD2 4.05Å; V45-L93 HydrophobicContact CG2-CG 4.01Å; V45-L93 WeakPolarHBondContact CG2-O 3.32Å; V45-Y150 WeakPolarHBondContact O-CD2 3.29Å; V45-Y150 WeakPolarHBondContact O-CE2 3.46Å
46D87Confident87.9Confident21 Ų2153.5 Ų53.511%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-101.5-33.6176.7-177.467.4000112.4Y44 G59 Q61 R140 Y150Y44-D46 HydrophobicContact CE2-CB 4.11Å; Y44-D46 PolarHBondContact O-N 3.17Å; D46-G59 PolarHBondContact N-O 2.92Å; D46-Q61 HydrophobicContact CB-CB 3.97Å; D46-Q61 HydrophobicContact CB-CG 3.52Å; D46-R140 WeakPolarHBondContact OD1-CD 3.38Å; D46-R140 IonicContact OD1-NE 3.93Å; D46-Y150 PolarHBondContact O-OH 3.26Å
47S85.8Confident87.7Confident18 Ų1853.6 Ų53.613%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-142.4153179.458.20000111.9I58 G59S47-I58 CarbonylContact O-C 3.47Å; S47-I58 VanDerWaalsContact O-CA 3.25Å; S47-I58 WeakPolarHBondContact O-CA 3.3Å; S47-G59 PolarHBondContact N-O 2.85Å; S47-G59 PolarHBondContact O-N 3.28Å; S47-G59 WeakPolarHBondContact OG-CA 3.15Å; S47-G59 PolarHBondContact OG-N 2.8Å
48I85.5Confident87.5Confident0 Ų052.3 Ų52.30%027%0.271CS..EExtended strand (participates in β ladder)trans-130.2129.6174.8-56.8172.5000107V45 I56 N57 I58 L93 F96 L131 A137 L170 M172V45-I48 HydrophobicContact CG1-CD1 4.39Å; V45-I48 HydrophobicContact CG1-CG1 3.85Å; I48-I56 HydrophobicContact CG2-CD1 4.14Å; I48-I56 HydrophobicContact CG2-CG2 4.48Å; I48-N57 CarbonylContact C-O 3.49Å; I48-N57 WeakPolarHBondContact CA-O 3.37Å; I48-I58 HydrophobicContact CG1-CG2 4.31Å; I48-L93 HydrophobicContact CD1-CD2 4.23Å; I48-F96 HydrophobicContact CD1-CE2 3.66Å; I48-F96 HydrophobicContact CD1-CZ 3.91Å; I48-F96 HydrophobicContact CG1-CE2 4.29Å; I48-L131 HydrophobicContact CG2-CB 4.44Å; I48-L131 HydrophobicContact CG2-CD2 4.35Å; I48-A137 WeakPolarHBondContact O-CA 3.2Å; I48-A137 WeakPolarHBondContact O-CB 3.46Å; I48-L170 HydrophobicContact CD1-CD1 4.27Å; I48-L170 HydrophobicContact CG2-CD1 4.22Å; I48-M172 HydrophobicContact CD1-CE 3.99Å; I48-M172 HydrophobicContact CD1-SD 3.33Å; I48-M172 WeakPolarHBondContact CD1-SD 3.36Å
49G84.3Confident87.1Confident10 Ų1049.1 Ų49.110%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-143.8-168.2-178.500000111.7I56 N57G49-I56 WeakPolarHBondContact O-CA 3.49Å; G49-N57 PolarHBondContact N-O 2.66Å; G49-N57 PolarHBondContact O-N 2.75Å
50R82.3Confident86.9Confident80 Ų8050.8 Ų50.830%0.30227%0.274SS..EExtended strand (participates in β ladder)trans-115.2143.5164.3-70.6-179.7173.8-119.73.4109.9G54 R55 G135R50-G54 WeakPolarHBondContact CD-O 3.19Å; R50-G54 WeakPolarHBondContact CG-O 3.47Å; R50-G54 PolarHBondContact NH1-O 2.04Å; R50-R55 CarbonylContact C-O 3.55Å; R50-R55 WeakPolarHBondContact CA-O 3.19Å; R50-G135 PolarHBondContact N-O 2.82Å
51N82.5Confident86.6Confident61 Ų6148.5 Ų48.533%0.32627%0.265SS..  trans-81-176172.967.79.9000111.2T53 G54 R55 N57N51-T53 PolarHBondContact ND2-OG1 3.45Å; N51-T53 PolarHBondContact O-N 2.83Å; N51-T53 PolarHBondContact OD1-N 3.5Å; N51-T53 VanDerWaalsContact OD1-N 3.08Å; N51-T53 PolarHBondContact OD1-OG1 2.87Å; N51-G54 PolarHBondContact O-N 2.85Å; N51-G54 PolarHBondContact OD1-N 3.28Å; N51-G54 VanDerWaalsContact OD1-N 3.13Å; N51-R55 PolarHBondContact N-O 2.8Å; N51-R55 PolarHBondContact OD1-N 3.37Å; N51-R55 PolarHBondContact OD1-O 3.45Å; N51-N57 HydrophobicContact CB-CB 4.3Å
52S79.7Confident86.4Confident131 Ų13144.7 Ų44.792%0.91626%0.26SS*.THydrogen-bonded Turntrans-61.8-24.1179.652.30000114.1G54S52-G54 VanDerWaalsContact C-N 3.29Å
53T76.9Confident86.3Confident103 Ų10342.1 Ų42.163%0.63225%0.247SC*.THydrogen-bonded Turntrans-87.6-0.4175.464.50000112.8N51 R55N51-T53 PolarHBondContact ND2-OG1 3.45Å; N51-T53 PolarHBondContact O-N 2.83Å; N51-T53 PolarHBondContact OD1-N 3.5Å; N51-T53 VanDerWaalsContact OD1-N 3.08Å; N51-T53 PolarHBondContact OD1-OG1 2.87Å; T53-R55 VanDerWaalsContact C-N 3.33Å
54G75.6Confident86Confident28 Ų2846.4 Ų46.429%0.28926%0.262SS..SBendtrans82.93.6-179.900000114.3R50 N51 S52R50-G54 WeakPolarHBondContact CD-O 3.19Å; R50-G54 WeakPolarHBondContact CG-O 3.47Å; R50-G54 PolarHBondContact NH1-O 2.04Å; N51-G54 PolarHBondContact O-N 2.85Å; N51-G54 PolarHBondContact OD1-N 3.28Å; N51-G54 VanDerWaalsContact OD1-N 3.13Å; S52-G54 VanDerWaalsContact C-N 3.29Å
55R80.2Confident85.9Confident55 Ų5551.6 Ų51.621%0.20829%0.29CS..  trans-81.3150.3178.7-56.5-164.281.5173.34.3111.5Q33 F35 R50 N51 T53 N57 S100 E106Q33-R55 VanDerWaalsContact O-CZ 3.27Å; Q33-R55 PolarHBondContact O-NH1 3.15Å; Q33-R55 PolarHBondContact O-NH2 3.32Å; F35-R55 HydrophobicContact CE1-CB 4.28Å; F35-R55 VanDerWaalsContact CE1-NH2 3.33Å; F35-R55 HydrophobicContact CZ-CB 4.43Å; R50-R55 CarbonylContact C-O 3.55Å; R50-R55 WeakPolarHBondContact CA-O 3.19Å; N51-R55 PolarHBondContact N-O 2.8Å; N51-R55 PolarHBondContact OD1-N 3.37Å; N51-R55 PolarHBondContact OD1-O 3.45Å; T53-R55 VanDerWaalsContact C-N 3.33Å; R55-N57 PolarHBondContact O-N 3.18Å; R55-S100 PolarHBondContact NH2-OG 2.05Å; R55-E106 WeakPolarHBondContact CB-OE1 3.22Å; R55-E106 WeakPolarHBondContact CG-OE1 3.47Å; R55-E106 IonicContact CZ-OE1 3.71Å; R55-E106 IonicContact NE-OE1 2.92Å; R55-E106 PolarHBondContact NE-OE1 2.84Å; R55-E106 IonicContact NH2-OE1 3.59Å
56I83.9Confident85.7Confident3 Ų358.2 Ų58.22%0.01533%0.325CS..EExtended strand (participates in β ladder)trans-53.3134.8173.2-74.9-107.6000110I48 G49 T98 E106 L108 L131 L170I48-I56 HydrophobicContact CG2-CD1 4.14Å; I48-I56 HydrophobicContact CG2-CG2 4.48Å; G49-I56 WeakPolarHBondContact O-CA 3.49Å; I56-T98 HydrophobicContact CB-CG2 4.36Å; I56-T98 HydrophobicContact CG2-CG2 4.32Å; I56-E106 WeakPolarHBondContact CB-OE2 3.03Å; I56-E106 WeakPolarHBondContact CG1-OE2 3Å; I56-E106 PolarHBondContact N-OE2 3.44Å; I56-L108 HydrophobicContact CB-CD2 4.38Å; I56-L108 HydrophobicContact CD1-CD1 3.75Å; I56-L108 HydrophobicContact CD1-CD2 4.08Å; I56-L108 HydrophobicContact CG1-CD1 4.5Å; I56-L108 HydrophobicContact CG1-CD2 3.95Å; I56-L108 HydrophobicContact CG2-CD2 4.39Å; I56-L131 HydrophobicContact CD1-CD2 3.68Å; I56-L170 HydrophobicContact CD1-CD1 4.48Å
57N87.6Confident86Confident69 Ų6957.5 Ų57.537%0.36932%0.322SS..EExtended strand (participates in β ladder)trans-137.5155172-169.322.6000109.8I48 G49 N51 R55I48-N57 CarbonylContact C-O 3.49Å; I48-N57 WeakPolarHBondContact CA-O 3.37Å; G49-N57 PolarHBondContact N-O 2.66Å; G49-N57 PolarHBondContact O-N 2.75Å; N51-N57 HydrophobicContact CB-CB 4.3Å; R55-N57 PolarHBondContact O-N 3.18Å
58I88.6Confident86.5Confident19 Ų1962.7 Ų62.710%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-121.8149.2178.473-175.5000111.1I37 V45 S47 I48 F96I37-I58 HydrophobicContact CG2-CB 4.29Å; I37-I58 HydrophobicContact CG2-CD1 3.39Å; I37-I58 HydrophobicContact CG2-CG1 3.37Å; I37-I58 HydrophobicContact CG2-CG2 4.24Å; V45-I58 HydrophobicContact CG1-CB 4.29Å; V45-I58 HydrophobicContact CG1-CG2 4.39Å; V45-I58 HydrophobicContact CG2-CD1 4.04Å; S47-I58 CarbonylContact O-C 3.47Å; S47-I58 VanDerWaalsContact O-CA 3.25Å; S47-I58 WeakPolarHBondContact O-CA 3.3Å; I48-I58 HydrophobicContact CG1-CG2 4.31Å; I58-F96 HydrophobicContact CG2-CD2 4.22Å; I58-F96 HydrophobicContact CG2-CE2 4.43Å
59G88.7Confident87Confident23 Ų2363 Ų6324%0.23734%0.344CS..EExtended strand (participates in β ladder)trans-100.2134.216300000110D46 S47D46-G59 PolarHBondContact N-O 2.92Å; S47-G59 PolarHBondContact N-O 2.85Å; S47-G59 PolarHBondContact O-N 3.28Å; S47-G59 WeakPolarHBondContact OG-CA 3.15Å; S47-G59 PolarHBondContact OG-N 2.8Å
60C91.6Very high87.5Confident41 Ų4166.4 Ų66.428%0.27736%0.358SS..EExtended strand (participates in β ladder)trans-107.5144-179.9-610000110.9C39 E43 Y44C39-C60 WeakPolarHBondContact CA-SG 3.02Å; C39-C60 HydrophobicContact CB-CB 3.74Å; C39-C60 WeakPolarHBondContact CB-SG 3.48Å; C39-C60 VanDerWaalsContact SG-CA 3.6Å; C39-C60 WeakPolarHBondContact SG-CB 3.41Å; C39-C60 CovalentContact SG-SG 2.03Å; C39-C60 PolarHBondContact SG-SG 2.81Å; E43-C60 HydrophobicContact CB-CB 4.25Å; Y44-C60 WeakPolarHBondContact O-CA 3.47Å
61Q90.6Very high88.2Confident95 Ų9569.3 Ų69.344%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-130.2147174.1-76.3-68.4-37.400110.5E43 Y44 D46E43-Q61 CarbonylContact C-O 3.58Å; E43-Q61 WeakPolarHBondContact CA-O 3.38Å; E43-Q61 WeakPolarHBondContact CB-O 3.38Å; Y44-Q61 HydrophobicContact CD1-CB 4.27Å; Y44-Q61 WeakPolarHBondContact CD1-O 3.11Å; Y44-Q61 HydrophobicContact CE1-CB 3.62Å; Y44-Q61 WeakPolarHBondContact CE1-O 3.45Å; Y44-Q61 HydrophobicContact CE2-CB 4.5Å; Y44-Q61 PolarHBondContact N-O 3.24Å; Y44-Q61 PolarHBondContact O-N 3.26Å; D46-Q61 HydrophobicContact CB-CB 3.97Å; D46-Q61 HydrophobicContact CB-CG 3.52Å
62P92.3Very high88.9Confident76 Ų7668.5 Ų68.549%0.49437%0.371SS..EExtended strand (participates in β ladder)trans-60.7139.6176.9-23.634.1000112.6Y44Y44-P62 WeakPolarHBondContact CE1-O 3.3Å
63L91.7Very high89.8Confident5 Ų565.7 Ų65.73%0.02634%0.342CS..PPolyproline II helixtrans-67143165.4-69.5167.5000109.7N42 Y44 L67 W92 L149 Y177N42-L63 PolarHBondContact O-N 2.84Å; Y44-L63 HydrophobicContact CD1-CD2 3.88Å; Y44-L63 HydrophobicContact CD1-CG 4.32Å; Y44-L63 HydrophobicContact CG-CD2 4.27Å; L63-L67 HydrophobicContact CB-CB 4.01Å; L63-L67 WeakPolarHBondContact CB-O 3.48Å; L63-L67 HydrophobicContact CD1-CB 4.42Å; L63-L67 WeakPolarHBondContact CD1-O 3.08Å; L63-W92 HydrophobicContact CD1-CZ2 4.02Å; L63-L149 HydrophobicContact CD2-CD2 3.81Å; L63-Y177 WeakPolarHBondContact CA-OH 3.42Å; L63-Y177 HydrophobicContact CD2-CE2 3.92Å
64R89.5Confident90.7Very high126 Ų12664.1 Ų64.148%0.47533%0.332SS..G310 helixtrans-60.6156175.9-84.4-176.5174.3-175.3-1.9112.5N66 L67 K145 P147 Y177R64-N66 PolarHBondContact O-N 2.8Å; R64-N66 VanDerWaalsContact O-N 3.1Å; R64-L67 VanDerWaalsContact O-CB 3.3Å; R64-L67 WeakPolarHBondContact O-CB 3.45Å; R64-L67 WeakPolarHBondContact O-CD1 3.37Å; R64-L67 WeakPolarHBondContact O-CG 3.2Å; R64-L67 PolarHBondContact O-N 3.45Å; R64-K145 PolarHBondContact NH2-O 2.86Å; R64-P147 HydrophobicContact CG-CG 3.89Å; R64-Y177 HydrophobicContact CB-CE2 4.42Å; R64-Y177 PolarHBondContact N-OH 3.4Å; R64-Y177 VanDerWaalsContact N-OH 3.11Å
65N88.2Confident91.7Very high119 Ų11963.7 Ų63.764%0.63633%0.326SS*.G310 helixtrans54.929.7171.7-53.9-24.9000113.6L67N65-L67 HydrophobicContact CB-CG 4.44Å; N65-L67 PolarHBondContact O-N 2.97Å; N65-L67 VanDerWaalsContact O-N 3.12Å
66N86.9Confident92.4Very high139 Ų13969.6 Ų69.674%0.74335%0.354SS*.G310 helixtrans53.530-175.3-60.6-40.6000113.4R64R64-N66 PolarHBondContact O-N 2.8Å; R64-N66 VanDerWaalsContact O-N 3.1Å
67L93.6Very high92.9Very high7 Ų771.4 Ų71.44%0.03737%0.365CS..  trans-61.6149.3172.7-68.4167.8000109.9L63 R64 N65 K117 V118 Y177 K179L63-L67 HydrophobicContact CB-CB 4.01Å; L63-L67 WeakPolarHBondContact CB-O 3.48Å; L63-L67 HydrophobicContact CD1-CB 4.42Å; L63-L67 WeakPolarHBondContact CD1-O 3.08Å; R64-L67 VanDerWaalsContact O-CB 3.3Å; R64-L67 WeakPolarHBondContact O-CB 3.45Å; R64-L67 WeakPolarHBondContact O-CD1 3.37Å; R64-L67 WeakPolarHBondContact O-CG 3.2Å; R64-L67 PolarHBondContact O-N 3.45Å; N65-L67 HydrophobicContact CB-CG 4.44Å; N65-L67 PolarHBondContact O-N 2.97Å; N65-L67 VanDerWaalsContact O-N 3.12Å; L67-K117 HydrophobicContact CD2-CB 3.7Å; L67-K117 WeakPolarHBondContact CD2-O 3.29Å; L67-V118 HydrophobicContact CB-CG2 4.04Å; L67-V118 HydrophobicContact CD1-CG2 4.12Å; L67-V118 HydrophobicContact CD2-CG2 4.39Å; L67-V118 HydrophobicContact CG-CG2 4.41Å; L67-Y177 HydrophobicContact CD1-CD2 4.49Å; L67-Y177 HydrophobicContact CD1-CE2 4.26Å; L67-K179 HydrophobicContact CD1-CB 4.29Å; L67-K179 HydrophobicContact CD2-CB 4.35Å; L67-K179 HydrophobicContact CD2-CG 4.15Å
68K95.5Very high93.1Very high126 Ų12668.1 Ų68.155%0.54835%0.348SS..  trans-139.4147-178.3-53.4-172.9-178.1177.80110.8R41 N42 E70 S115R41-K68 CarbonylContact O-C 3.54Å; R41-K68 VanDerWaalsContact O-CA 3.27Å; R41-K68 WeakPolarHBondContact O-CA 3.46Å; N42-K68 HydrophobicContact CB-CD 4.42Å; N42-K68 HydrophobicContact CB-CG 3.92Å; K68-E70 PolarHBondContact O-N 2.9Å; K68-S115 WeakPolarHBondContact O-CB 3.1Å; K68-S115 PolarHBondContact O-OG 2.87Å
69A96.3Very high93.3Very high6 Ų673.5 Ų73.55%0.0537%0.372CS..  trans-59.5126.8163.700000110.4R41 W92 C113R41-A69 HydrophobicContact CB-CB 4.32Å; R41-A69 PolarHBondContact NE-O 2.75Å; R41-A69 WeakPolarHBondContact O-CB 3.47Å; R41-A69 PolarHBondContact O-N 3.33Å; A69-W92 HydrophobicContact CB-CH2 4.16Å; A69-W92 HydrophobicContact CB-CZ2 3.8Å; A69-C113 HydrophobicContact CB-CB 3.68Å
70E95.7Very high93.2Very high83 Ų8373.3 Ų73.339%0.38837%0.367SS..SBendtrans-89.7-49.5174.2-68.9176.4168.100109.9R41 K68 T114 K116R41-E70 PolarHBondContact NH2-O 3.39Å; K68-E70 PolarHBondContact O-N 2.9Å; E70-T114 PolarHBondContact N-O 3.41Å; E70-K116 WeakPolarHBondContact OE2-CB 3.48Å; E70-K116 WeakPolarHBondContact OE2-CG 3.46Å; E70-K116 PolarHBondContact OE2-N 2.98Å
71K97.2Very high93.1Very high141 Ų14175.9 Ų75.961%0.61338%0.382SS*.EExtended strand (participates in β ladder)trans-127141.3178.8-173.7174.8-177.7177.30110.1C113 T114K71-C113 CarbonylContact O-C 3.53Å; K71-C113 VanDerWaalsContact O-CA 3.22Å; K71-C113 WeakPolarHBondContact O-CA 3.3Å; K71-T114 PolarHBondContact N-O 2.91Å; K71-T114 PolarHBondContact O-N 2.9Å
72C97.6Very high93.1Very high44 Ų4472.2 Ų72.230%0.29737%0.37SS..EExtended strand (participates in β ladder)trans-126.9150.4170.7-56.70000109.8C112 C113C72-C112 CarbonylContact C-O 3.48Å; C72-C112 WeakPolarHBondContact CA-O 3.19Å; C72-C113 HydrophobicContact CB-CB 4.17Å; C72-C113 WeakPolarHBondContact CB-SG 3.02Å; C72-C113 WeakPolarHBondContact SG-CB 3.46Å; C72-C113 CovalentContact SG-SG 2.05Å; C72-C113 PolarHBondContact SG-SG 2.83Å
73F97.8Very high93.1Very high72 Ų7271 Ų7132%0.31636%0.363SS..EExtended strand (participates in β ladder)trans-152.2156.6-179.360.8-86.5000109.7P88 A91 C112 T114F73-P88 HydrophobicContact CE2-CG 4.06Å; F73-P88 HydrophobicContact CZ-CG 3.67Å; F73-A91 HydrophobicContact CE1-CB 4.19Å; F73-A91 HydrophobicContact CZ-CB 3.96Å; F73-C112 HydrophobicContact CD1-CB 4.48Å; F73-C112 WeakPolarHBondContact CD1-O 3.25Å; F73-C112 HydrophobicContact CD2-CB 4.23Å; F73-C112 HydrophobicContact CE1-CB 4.01Å; F73-C112 HydrophobicContact CE2-CB 3.72Å; F73-C112 HydrophobicContact CZ-CB 3.6Å; F73-C112 PolarHBondContact N-O 2.84Å; F73-C112 PolarHBondContact O-N 3.49Å; F73-T114 HydrophobicContact CE1-CG2 4.08Å
74T96.7Very high93.1Very high69 Ų6975.8 Ų75.842%0.42339%0.392SS..EExtended strand (participates in β ladder)trans-87.7135173.546.50000110.2E97 P110 I111T74-E97 HydrophobicContact CG2-CG 4.27Å; T74-P110 WeakPolarHBondContact CA-O 3.22Å; T74-I111 HydrophobicContact CG2-CG1 4.16Å
75A95.8Very high93.4Very high19 Ų1971.5 Ų71.516%0.15738%0.378CS..  trans-82.8-178.8169.700000110.4R109 P110A75-R109 VanDerWaalsContact O-CD 3.28Å; A75-R109 WeakPolarHBondContact O-CD 3.46Å; A75-R109 WeakPolarHBondContact O-CG 3.45Å; A75-P110 HydrophobicContact CB-CB 4.13Å; A75-P110 HydrophobicContact CB-CG 4.38Å; A75-P110 PolarHBondContact N-O 2.87Å
76K95Very high93.7Very high180 Ų18066.5 Ų66.578%0.78336%0.355SS*.PPolyproline II helixtrans-67.1148.2170.5-68.6-177.5179-177.70110.3P110K76-P110 WeakPolarHBondContact O-CD 3.36Å
77P93.6Very high94.1Very high40 Ų4060.3 Ų60.326%0.2632%0.322SS..PPolyproline II helixtrans-54140.4170.1-21.330.3000111.6Q79 L107 L108 R109P77-Q79 PolarHBondContact O-N 3.17Å; P77-L107 HydrophobicContact CB-CD1 3.99Å; P77-L107 HydrophobicContact CB-CD2 3.82Å; P77-L107 HydrophobicContact CB-CG 3.92Å; P77-L107 HydrophobicContact CG-CD2 4.35Å; P77-L108 WeakPolarHBondContact CA-O 3.14Å; P77-R109 HydrophobicContact CG-CB 4.5Å; P77-R109 HydrophobicContact CG-CG 4.4Å
78L92.5Very high94.1Very high1 Ų163.2 Ų63.21%0.00534%0.341CS..PPolyproline II helixtrans-65.1128.3174.1-59.7-178.8000109.4C80 E85 F96 L107 L108 P110 I153 C155 L170L78-C80 VanDerWaalsContact C-N 3.34Å; L78-E85 HydrophobicContact CD2-CB 3.64Å; L78-F96 HydrophobicContact CD1-CE1 4.48Å; L78-L107 WeakPolarHBondContact O-CD1 3.12Å; L78-L108 HydrophobicContact CD1-CB 4.06Å; L78-L108 HydrophobicContact CD1-CD1 4.5Å; L78-L108 HydrophobicContact CG-CB 4.45Å; L78-L108 WeakPolarHBondContact CG-O 3.27Å; L78-L108 PolarHBondContact N-O 2.87Å; L78-P110 HydrophobicContact CD2-CG 3.79Å; L78-P110 HydrophobicContact CG-CG 4.04Å; L78-I153 HydrophobicContact CD1-CB 4.37Å; L78-I153 HydrophobicContact CD1-CD1 4.42Å; L78-I153 HydrophobicContact CD1-CG2 3.7Å; L78-I153 HydrophobicContact CD2-CB 4.19Å; L78-I153 HydrophobicContact CD2-CG2 4.34Å; L78-C155 HydrophobicContact CB-CB 4.37Å; L78-C155 HydrophobicContact CD1-CB 4.16Å; L78-L170 HydrophobicContact CD1-CD2 4.19Å
79Q91.8Very high93.7Very high131 Ų13166.2 Ų66.261%0.61235%0.354SS*.  trans-81.2-20.3177.3-62.7-179.38.400112.2P77 T81 E85P77-Q79 PolarHBondContact O-N 3.17Å; Q79-T81 VanDerWaalsContact C-N 3.25Å; Q79-T81 HydrophobicContact CB-CG2 3.96Å; Q79-T81 PolarHBondContact O-N 3.06Å; Q79-E85 PolarHBondContact N-OE1 2.74Å; Q79-E85 PolarHBondContact N-OE2 2.98Å; Q79-E85 VanDerWaalsContact N-OE2 3.1Å
80C88Confident93.4Very high19 Ų1974 Ų7413%0.12839%0.387CS..  trans57.535.8179.4-60.40000114.6L78 E85 C155 L157L78-C80 VanDerWaalsContact C-N 3.34Å; C80-E85 PolarHBondContact N-OE1 2.83Å; C80-C155 CarbonylContact C-O 3.53Å; C80-C155 WeakPolarHBondContact CA-O 3.21Å; C80-C155 HydrophobicContact CB-CB 3.7Å; C80-C155 WeakPolarHBondContact CB-SG 3.42Å; C80-C155 WeakPolarHBondContact SG-CB 3.47Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 2.98Å; C80-L157 HydrophobicContact CB-CD1 4.09Å; C80-L157 HydrophobicContact CB-CD2 4.14Å; C80-L157 HydrophobicContact CB-CG 3.69Å
81T89.7Confident93.4Very high95 Ų9570.1 Ų70.158%0.58337%0.369SS*.EExtended strand (participates in β ladder)trans-93.3-0.1178550000112.9Q79 S83Q79-T81 VanDerWaalsContact C-N 3.25Å; Q79-T81 HydrophobicContact CB-CG2 3.96Å; Q79-T81 PolarHBondContact O-N 3.06Å; T81-S83 PolarHBondContact OG1-OG 3.28Å
82G89.8Confident93.3Very high19 Ų1963.5 Ų63.520%0.19634%0.34CS..EExtended strand (participates in β ladder)trans86.70.9-171.600000115T154 C155 Y156G82-T154 WeakPolarHBondContact O-CG2 3.43Å; G82-C155 WeakPolarHBondContact CA-O 3.46Å; G82-C155 PolarHBondContact N-O 3.21Å; G82-Y156 VanDerWaalsContact CA-CZ 3.48Å
83S92.5Very high93.2Very high49 Ų4961.4 Ų61.434%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-71156.6170.160.60000111.6T81 E85T81-S83 PolarHBondContact OG1-OG 3.28Å; S83-E85 PolarHBondContact O-N 2.8Å
84V92.1Very high93.2Very high106 Ų10658.1 Ų58.164%0.64231%0.312SS*.EExtended strand (participates in β ladder)trans-82.1112.7174.3-178.80000108.8A152V84-A152 HydrophobicContact CG1-CB 3.53Å
85E95.2Very high93.1Very high36 Ų3654.9 Ų54.917%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-123.1-155.7-179-58.7-178.2-9200109.8L78 Q79 C80 S83 A152 I153L78-E85 HydrophobicContact CD2-CB 3.64Å; Q79-E85 PolarHBondContact N-OE1 2.74Å; Q79-E85 PolarHBondContact N-OE2 2.98Å; Q79-E85 VanDerWaalsContact N-OE2 3.1Å; C80-E85 PolarHBondContact N-OE1 2.83Å; S83-E85 PolarHBondContact O-N 2.8Å; E85-A152 CarbonylContact O-C 3.1Å; E85-A152 VanDerWaalsContact O-CA 3.28Å; E85-A152 WeakPolarHBondContact O-CA 3.36Å; E85-I153 CarbonylContact C-O 3.54Å; E85-I153 WeakPolarHBondContact CA-O 2.98Å; E85-I153 PolarHBondContact N-O 3.42Å; E85-I153 PolarHBondContact O-N 3.49Å
86G94Very high93.1Very high15 Ų1554 Ų5416%0.15529%0.285CS..EExtended strand (participates in β ladder)trans98.2-145.4174.400000114
87C95.8Very high93.1Very high9 Ų948 Ų486%0.06126%0.259CS..SBendtrans-82.8138.5-177.4-63.80000111.6A91 C112 Q151C87-A91 HydrophobicContact CB-CB 4.25Å; C87-C112 WeakPolarHBondContact CA-SG 3.26Å; C87-C112 HydrophobicContact CB-CB 3.78Å; C87-C112 WeakPolarHBondContact CB-SG 3.07Å; C87-C112 VanDerWaalsContact SG-CA 3.52Å; C87-C112 WeakPolarHBondContact SG-CB 3.03Å; C87-C112 CovalentContact SG-SG 2.04Å; C87-C112 PolarHBondContact SG-SG 3.3Å; C87-Q151 PolarHBondContact N-O 2.75Å
88P92.7Very high92.9Very high67 Ų6746.1 Ų46.144%0.43525%0.247SC..PPolyproline II helixtrans-66.1165.517829.7-36.1000111.4F73 K90 A91F73-P88 HydrophobicContact CE2-CG 4.06Å; F73-P88 HydrophobicContact CZ-CG 3.67Å; P88-K90 PolarHBondContact O-N 2.8Å; P88-A91 HydrophobicContact CG-CB 4.09Å; P88-A91 WeakPolarHBondContact O-CB 3.14Å; P88-A91 PolarHBondContact O-N 2.94Å
89K87.5Confident92.6Very high189 Ų18948 Ų4882%0.82226%0.255SS*.THydrogen-bonded Turntrans-49.9141.3174.9-67-175.3179179.50110.6A91K89-A91 PolarHBondContact O-N 2.92Å
90K90.9Very high92Very high171 Ų17142.8 Ų42.874%0.74323%0.234SC*.THydrogen-bonded Turntrans68-2.9-174-48.7173.7-177.8173.40116.7P88 Q151P88-K90 PolarHBondContact O-N 2.8Å; K90-Q151 VanDerWaalsContact N-NE2 3.18Å
91A95.8Very high91.3Very high1 Ų146.3 Ų46.31%0.00825%0.25CC..  trans-104.8151.1169.800000110.8F73 C87 P88 K89 C112 C113 T114 Q151F73-A91 HydrophobicContact CE1-CB 4.19Å; F73-A91 HydrophobicContact CZ-CB 3.96Å; C87-A91 HydrophobicContact CB-CB 4.25Å; P88-A91 HydrophobicContact CG-CB 4.09Å; P88-A91 WeakPolarHBondContact O-CB 3.14Å; P88-A91 PolarHBondContact O-N 2.94Å; K89-A91 PolarHBondContact O-N 2.92Å; A91-C112 HydrophobicContact CB-CB 4.18Å; A91-C113 CarbonylContact C-O 3.59Å; A91-C113 WeakPolarHBondContact CA-O 3.4Å; A91-C113 WeakPolarHBondContact CB-O 3.12Å; A91-T114 HydrophobicContact CB-CG2 3.59Å; A91-Q151 VanDerWaalsContact O-CG 3.32Å; A91-Q151 WeakPolarHBondContact O-CG 3.28Å; A91-Q151 PolarHBondContact O-NE2 2.88Å
92W95.4Very high90.3Very high1 Ų148.6 Ų48.60%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-120.1155.1174.668.897000112.2L63 A69 A94 C112 C113 V118 I120 L149 Y150L63-W92 HydrophobicContact CD1-CZ2 4.02Å; A69-W92 HydrophobicContact CB-CH2 4.16Å; A69-W92 HydrophobicContact CB-CZ2 3.8Å; W92-A94 PolarHBondContact O-N 3Å; W92-C112 CarbonylContact O-C 3.54Å; W92-C112 VanDerWaalsContact O-CA 3.28Å; W92-C112 WeakPolarHBondContact O-CA 3.46Å; W92-C113 HydrophobicContact CD2-CB 4.33Å; W92-C113 HydrophobicContact CH2-CB 4.23Å; W92-C113 HydrophobicContact CZ2-CB 3.78Å; W92-C113 WeakPolarHBondContact CZ3-O 3.48Å; W92-C113 PolarHBondContact N-O 2.94Å; W92-C113 PolarHBondContact O-N 3.22Å; W92-V118 HydrophobicContact CE3-CG1 4.31Å; W92-V118 HydrophobicContact CH2-CB 4.4Å; W92-V118 HydrophobicContact CH2-CG2 4.05Å; W92-V118 HydrophobicContact CZ3-CB 3.98Å; W92-V118 HydrophobicContact CZ3-CG1 4.04Å; W92-V118 HydrophobicContact CZ3-CG2 4.14Å; W92-I120 HydrophobicContact CB-CD1 4.14Å; W92-I120 HydrophobicContact CE3-CD1 4.43Å; W92-L149 HydrophobicContact CB-CB 3.68Å; W92-L149 HydrophobicContact CB-CD1 3.9Å; W92-L149 HydrophobicContact CB-CD2 4.24Å; W92-L149 HydrophobicContact CB-CG 4.11Å; W92-L149 HydrophobicContact CD2-CD1 3.93Å; W92-L149 HydrophobicContact CE3-CD1 4.1Å; W92-L149 HydrophobicContact CG-CB 4.34Å; W92-L149 HydrophobicContact CG-CD1 3.84Å; W92-L149 HydrophobicContact CG-CD2 4Å; W92-L149 HydrophobicContact CG-CG 4.25Å; W92-Y150 CarbonylContact C-O 3.44Å; W92-Y150 WeakPolarHBondContact CA-O 3.34Å
93L95.7Very high89.1Confident1 Ų153.4 Ų53.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-66.6122.5173.4-173.175.4000110.5V45 I48 G95 F96 P110 Y150 I153 M172V45-L93 HydrophobicContact CB-CD2 4.17Å; V45-L93 HydrophobicContact CB-CG 4.47Å; V45-L93 HydrophobicContact CG1-CD2 4.11Å; V45-L93 HydrophobicContact CG2-CD2 4.05Å; V45-L93 HydrophobicContact CG2-CG 4.01Å; V45-L93 WeakPolarHBondContact CG2-O 3.32Å; I48-L93 HydrophobicContact CD1-CD2 4.23Å; L93-G95 WeakPolarHBondContact CD1-O 3.41Å; L93-F96 HydrophobicContact CD1-CE1 4Å; L93-F96 HydrophobicContact CD1-CE2 4.41Å; L93-F96 HydrophobicContact CD1-CZ 3.95Å; L93-F96 HydrophobicContact CD2-CE1 4.34Å; L93-F96 HydrophobicContact CD2-CE2 3.64Å; L93-F96 HydrophobicContact CD2-CZ 3.47Å; L93-F96 VanDerWaalsContact CD2-CZ 3.47Å; L93-F96 HydrophobicContact CG-CZ 4.33Å; L93-P110 HydrophobicContact CD1-CB 3.72Å; L93-Y150 PolarHBondContact N-O 3.08Å; L93-I153 HydrophobicContact CD1-CD1 4.1Å; L93-I153 HydrophobicContact CD2-CD1 4.32Å; L93-M172 HydrophobicContact CB-CE 4.44Å; L93-M172 HydrophobicContact CD2-CE 3.3Å; L93-M172 HydrophobicContact CG-CE 4.42Å
94A96.6Very high87.8Confident3 Ų352.5 Ų52.53%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-110.4-13.8173.700000112.9Q38 C39 W92 I111 C113Q38-A94 WeakPolarHBondContact CA-O 3.18Å; Q38-A94 HydrophobicContact CG-CB 4.17Å; Q38-A94 WeakPolarHBondContact CG-O 3.16Å; C39-A94 PolarHBondContact N-O 3.24Å; W92-A94 PolarHBondContact O-N 3Å; A94-I111 PolarHBondContact N-O 2.04Å; A94-C113 HydrophobicContact CB-CB 4.24Å; A94-C113 WeakPolarHBondContact CB-SG 3.32Å
95G95.8Very high86.8Confident0 Ų048.1 Ų48.10%025%0.248CC..EExtended strand (participates in β ladder)trans169.4-166.4-178.300000113.3I37 L93 I111I37-G95 CarbonylContact O-C 3.59Å; I37-G95 WeakPolarHBondContact O-CA 3.44Å; L93-G95 WeakPolarHBondContact CD1-O 3.41Å; G95-I111 PolarHBondContact N-O 2.79Å; G95-I111 PolarHBondContact O-N 2.92Å
96F94.8Very high85.9Confident1 Ų147.1 Ų47.10%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-139.3143.8174.6-62.7-83.2000110.8S36 I37 I48 I58 L78 L93 T98 L108 R109 P110 I153S36-F96 WeakPolarHBondContact CA-O 3.34Å; I37-F96 PolarHBondContact N-O 2.8Å; I37-F96 PolarHBondContact O-N 2.96Å; I48-F96 HydrophobicContact CD1-CE2 3.66Å; I48-F96 HydrophobicContact CD1-CZ 3.91Å; I48-F96 HydrophobicContact CG1-CE2 4.29Å; I58-F96 HydrophobicContact CG2-CD2 4.22Å; I58-F96 HydrophobicContact CG2-CE2 4.43Å; L78-F96 HydrophobicContact CD1-CE1 4.48Å; L93-F96 HydrophobicContact CD1-CE1 4Å; L93-F96 HydrophobicContact CD1-CE2 4.41Å; L93-F96 HydrophobicContact CD1-CZ 3.95Å; L93-F96 HydrophobicContact CD2-CE1 4.34Å; L93-F96 HydrophobicContact CD2-CE2 3.64Å; L93-F96 HydrophobicContact CD2-CZ 3.47Å; L93-F96 VanDerWaalsContact CD2-CZ 3.47Å; L93-F96 HydrophobicContact CG-CZ 4.33Å; F96-T98 HydrophobicContact CB-CG2 4.16Å; F96-L108 HydrophobicContact CD1-CB 3.86Å; F96-L108 HydrophobicContact CE1-CB 4.26Å; F96-L108 HydrophobicContact CE1-CD1 4.5Å; F96-R109 CarbonylContact C-O 3.57Å; F96-R109 VanDerWaalsContact CA-O 3.29Å; F96-R109 WeakPolarHBondContact CA-O 3.1Å; F96-P110 HydrophobicContact CD1-CB 4.45Å; F96-P110 HydrophobicContact CD1-CG 4.44Å; F96-P110 HydrophobicContact CE1-CB 4.33Å; F96-P110 HydrophobicContact CE1-CG 4.2Å; F96-I153 HydrophobicContact CE1-CD1 3.88Å; F96-I153 HydrophobicContact CZ-CD1 3.99Å
97E95Very high85.5Confident53 Ų5349 Ų4925%0.24825%0.249CC..EExtended strand (participates in β ladder)trans-83.9135.3146.7-53.6179.5150.200107.3F35 T74 F99 R109 I111F35-E97 WeakPolarHBondContact O-CA 3.01Å; T74-E97 HydrophobicContact CG2-CG 4.27Å; E97-F99 HydrophobicContact CB-CE2 3.74Å; E97-F99 HydrophobicContact CB-CZ 3.79Å; E97-R109 HydrophobicContact CB-CB 4.19Å; E97-R109 PolarHBondContact N-O 3.31Å; E97-R109 PolarHBondContact O-N 2.87Å; E97-R109 WeakPolarHBondContact OE2-CD 3.17Å; E97-R109 IonicContact OE2-CZ 2.88Å; E97-R109 IonicContact OE2-NE 3.74Å; E97-R109 IonicContact OE2-NH1 3.88Å; E97-R109 PolarHBondContact OE2-NH1 3.36Å; E97-I111 HydrophobicContact CG-CD1 4.28Å; E97-I111 HydrophobicContact CG-CG1 4.39Å
98T89.2Confident85.3Confident1 Ų148.8 Ų48.81%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-117.3130.4178.867.20000108.5D34 F35 I56 F96 L107 L108D34-T98 VanDerWaalsContact CA-O 3.24Å; D34-T98 WeakPolarHBondContact CA-O 3.49Å; F35-T98 WeakPolarHBondContact CD1-OG1 3.43Å; F35-T98 HydrophobicContact CE1-CG2 4.23Å; F35-T98 WeakPolarHBondContact CE1-OG1 3.39Å; F35-T98 HydrophobicContact CE2-CG2 3.91Å; F35-T98 WeakPolarHBondContact CE2-OG1 3.45Å; F35-T98 HydrophobicContact CZ-CG2 3.71Å; F35-T98 WeakPolarHBondContact CZ-OG1 3.27Å; F35-T98 PolarHBondContact N-O 3.38Å; F35-T98 VanDerWaalsContact N-O 3.08Å; F35-T98 PolarHBondContact O-N 2.87Å; F35-T98 PolarHBondContact O-OG1 2.83Å; I56-T98 HydrophobicContact CB-CG2 4.36Å; I56-T98 HydrophobicContact CG2-CG2 4.32Å; F96-T98 HydrophobicContact CB-CG2 4.16Å; T98-L107 CarbonylContact C-O 3.55Å; T98-L107 WeakPolarHBondContact CA-O 3.49Å; T98-L108 HydrophobicContact CG2-CD2 3.69Å
99F86.4Confident85.4Confident40 Ų4049 Ų4918%0.17524%0.239CC..EExtended strand (participates in β ladder)trans-111.8124.7177.3-52.3-93.1000108.6D34 E97 M101 E106 L107 R109D34-F99 HydrophobicContact CB-CD1 4.06Å; D34-F99 WeakPolarHBondContact OD1-CA 3.23Å; D34-F99 WeakPolarHBondContact OD2-CD1 3.28Å; E97-F99 HydrophobicContact CB-CE2 3.74Å; E97-F99 HydrophobicContact CB-CZ 3.79Å; F99-M101 PolarHBondContact O-N 2.84Å; F99-E106 CarbonylContact O-C 3.57Å; F99-E106 WeakPolarHBondContact O-CA 3.34Å; F99-L107 HydrophobicContact CB-CB 4.22Å; F99-L107 HydrophobicContact CD2-CD2 4.5Å; F99-L107 PolarHBondContact N-O 3.4Å; F99-L107 PolarHBondContact O-N 3.24Å; F99-R109 HydrophobicContact CE2-CB 3.79Å
100S79.5Confident85.8Confident23 Ų2340 Ų4016%0.16120%0.2CC..EExtended strand (participates in β ladder)trans-69.8126.5175.9-89.30000109D32 D34 R55D32-S100 WeakPolarHBondContact OD1-CB 3.27Å; D32-S100 PolarHBondContact OD1-OG 2.83Å; D34-S100 PolarHBondContact OD1-N 2.03Å; R55-S100 PolarHBondContact NH2-OG 2.05Å
101M74Confident86.2Confident93 Ų9332.2 Ų32.246%0.45817%0.167SC..EExtended strand (participates in β ladder)trans-110.6169.2173.7-56.4-69.7-65.800109.2F99 G104 V105 L107F99-M101 PolarHBondContact O-N 2.84Å; M101-G104 PolarHBondContact O-N 2.76Å; M101-V105 WeakPolarHBondContact CA-O 3.33Å; M101-V105 HydrophobicContact CB-CB 4.18Å; M101-V105 VanDerWaalsContact CB-O 3.28Å; M101-V105 WeakPolarHBondContact CB-O 3.01Å; M101-V105 PolarHBondContact N-O 2.86Å; M101-L107 HydrophobicContact CG-CB 3.91Å; M101-L107 HydrophobicContact SD-CB 4.14Å
102D68.1Low86.3Confident142 Ų14232.2 Ų32.276%0.75917%0.166SC*.G310 helixtrans-51.3149.7173.9-66.9-41.6000112.3G104D102-G104 PolarHBondContact O-N 2.89Å
103E65.1Low86.4Confident120 Ų12032.2 Ų32.256%0.56117%0.167SC*.G310 helixtrans65.914.5177.4-47.4-168.8144.700116.3K164E103-K164 WeakPolarHBondContact OE2-CA 3.5Å; E103-K164 WeakPolarHBondContact OE2-CG 3.43Å
104G64.3Low86.5Confident30 Ų3034.3 Ų34.331%0.30918%0.179SC..G310 helixtrans81.326.3177.400000113.5M101 D102M101-G104 PolarHBondContact O-N 2.76Å; D102-G104 PolarHBondContact O-N 2.89Å
105V70.9Confident86.5Confident15 Ų1534.7 Ų34.79%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-92.5140175.8178.10000108.1M101 I165M101-V105 WeakPolarHBondContact CA-O 3.33Å; M101-V105 HydrophobicContact CB-CB 4.18Å; M101-V105 VanDerWaalsContact CB-O 3.28Å; M101-V105 WeakPolarHBondContact CB-O 3.01Å; M101-V105 PolarHBondContact N-O 2.86Å; V105-I165 HydrophobicContact CB-CD1 4.24Å; V105-I165 HydrophobicContact CG1-CD1 3.79Å; V105-I165 HydrophobicContact CG1-CG2 4.47Å; V105-I165 HydrophobicContact CG2-CB 3.5Å; V105-I165 HydrophobicContact CG2-CD1 3.57Å; V105-I165 HydrophobicContact CG2-CG1 4.07Å; V105-I165 HydrophobicContact CG2-CG2 3.75Å
106E77.3Confident86.4Confident15 Ų1543 Ų437%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-110.4123.9176.8-67.117614600108.9R55 I56 F99 L108R55-E106 WeakPolarHBondContact CB-OE1 3.22Å; R55-E106 WeakPolarHBondContact CG-OE1 3.47Å; R55-E106 IonicContact CZ-OE1 3.71Å; R55-E106 IonicContact NE-OE1 2.92Å; R55-E106 PolarHBondContact NE-OE1 2.84Å; R55-E106 IonicContact NH2-OE1 3.59Å; I56-E106 WeakPolarHBondContact CB-OE2 3.03Å; I56-E106 WeakPolarHBondContact CG1-OE2 3Å; I56-E106 PolarHBondContact N-OE2 3.44Å; F99-E106 CarbonylContact O-C 3.57Å; F99-E106 WeakPolarHBondContact O-CA 3.34Å; E106-L108 HydrophobicContact CB-CD2 4.29Å
107L85.2Confident86.4Confident55 Ų5548.8 Ų48.829%0.28824%0.243SC..EExtended strand (participates in β ladder)trans-79.2128.9166.5179.769.7000108.1P77 L78 T98 F99 M101P77-L107 HydrophobicContact CB-CD1 3.99Å; P77-L107 HydrophobicContact CB-CD2 3.82Å; P77-L107 HydrophobicContact CB-CG 3.92Å; P77-L107 HydrophobicContact CG-CD2 4.35Å; L78-L107 WeakPolarHBondContact O-CD1 3.12Å; T98-L107 CarbonylContact C-O 3.55Å; T98-L107 WeakPolarHBondContact CA-O 3.49Å; F99-L107 HydrophobicContact CB-CB 4.22Å; F99-L107 HydrophobicContact CD2-CD2 4.5Å; F99-L107 PolarHBondContact N-O 3.4Å; F99-L107 PolarHBondContact O-N 3.24Å; M101-L107 HydrophobicContact CG-CB 3.91Å; M101-L107 HydrophobicContact SD-CB 4.14Å
108L90.9Very high86.4Confident3 Ų346.9 Ų46.92%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-106.5125.3-175.2-57179.5000110.2I56 P77 L78 F96 T98 E106 L170I56-L108 HydrophobicContact CB-CD2 4.38Å; I56-L108 HydrophobicContact CD1-CD1 3.75Å; I56-L108 HydrophobicContact CD1-CD2 4.08Å; I56-L108 HydrophobicContact CG1-CD1 4.5Å; I56-L108 HydrophobicContact CG1-CD2 3.95Å; I56-L108 HydrophobicContact CG2-CD2 4.39Å; P77-L108 WeakPolarHBondContact CA-O 3.14Å; L78-L108 HydrophobicContact CD1-CB 4.06Å; L78-L108 HydrophobicContact CD1-CD1 4.5Å; L78-L108 HydrophobicContact CG-CB 4.45Å; L78-L108 WeakPolarHBondContact CG-O 3.27Å; L78-L108 PolarHBondContact N-O 2.87Å; F96-L108 HydrophobicContact CD1-CB 3.86Å; F96-L108 HydrophobicContact CE1-CB 4.26Å; F96-L108 HydrophobicContact CE1-CD1 4.5Å; T98-L108 HydrophobicContact CG2-CD2 3.69Å; E106-L108 HydrophobicContact CB-CD2 4.29Å; L108-L170 HydrophobicContact CD1-CD1 3.91Å; L108-L170 HydrophobicContact CD1-CD2 4.28Å
109R95Very high86.5Confident73 Ų7352.1 Ų52.128%0.27526%0.259SS..EExtended strand (participates in β ladder)trans-109.7110.7170.2-171.5-176.2-65.5157.5-7.5109.7A75 P77 F96 E97 F99 I111A75-R109 VanDerWaalsContact O-CD 3.28Å; A75-R109 WeakPolarHBondContact O-CD 3.46Å; A75-R109 WeakPolarHBondContact O-CG 3.45Å; P77-R109 HydrophobicContact CG-CB 4.5Å; P77-R109 HydrophobicContact CG-CG 4.4Å; F96-R109 CarbonylContact C-O 3.57Å; F96-R109 VanDerWaalsContact CA-O 3.29Å; F96-R109 WeakPolarHBondContact CA-O 3.1Å; E97-R109 HydrophobicContact CB-CB 4.19Å; E97-R109 PolarHBondContact N-O 3.31Å; E97-R109 PolarHBondContact O-N 2.87Å; E97-R109 WeakPolarHBondContact OE2-CD 3.17Å; E97-R109 IonicContact OE2-CZ 2.88Å; E97-R109 IonicContact OE2-NE 3.74Å; E97-R109 IonicContact OE2-NH1 3.88Å; E97-R109 PolarHBondContact OE2-NH1 3.36Å; F99-R109 HydrophobicContact CE2-CB 3.79Å; R109-I111 PolarHBondContact O-N 2.82Å
110P96.8Very high86.8Confident0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-61.9136.1-178-22.233.2000112.2T74 A75 K76 L78 L93 F96 I153T74-P110 WeakPolarHBondContact CA-O 3.22Å; A75-P110 HydrophobicContact CB-CB 4.13Å; A75-P110 HydrophobicContact CB-CG 4.38Å; A75-P110 PolarHBondContact N-O 2.87Å; K76-P110 WeakPolarHBondContact O-CD 3.36Å; L78-P110 HydrophobicContact CD2-CG 3.79Å; L78-P110 HydrophobicContact CG-CG 4.04Å; L93-P110 HydrophobicContact CD1-CB 3.72Å; F96-P110 HydrophobicContact CD1-CB 4.45Å; F96-P110 HydrophobicContact CD1-CG 4.44Å; F96-P110 HydrophobicContact CE1-CB 4.33Å; F96-P110 HydrophobicContact CE1-CG 4.2Å; P110-I153 HydrophobicContact CB-CD1 4.37Å; P110-I153 HydrophobicContact CG-CD1 4.06Å
111I98.1Very high87.3Confident7 Ų752.5 Ų52.54%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-98.3120166.9-57.3168.4000107.4S36 Q38 T74 A94 G95 E97 R109S36-I111 WeakPolarHBondContact OG-CD1 3.28Å; Q38-I111 HydrophobicContact CB-CD1 4.09Å; Q38-I111 HydrophobicContact CG-CD1 4.23Å; Q38-I111 HydrophobicContact CG-CG2 4.17Å; T74-I111 HydrophobicContact CG2-CG1 4.16Å; A94-I111 PolarHBondContact N-O 2.04Å; G95-I111 PolarHBondContact N-O 2.79Å; G95-I111 PolarHBondContact O-N 2.92Å; E97-I111 HydrophobicContact CG-CD1 4.28Å; E97-I111 HydrophobicContact CG-CG1 4.39Å; R109-I111 PolarHBondContact O-N 2.82Å
112C98Very high87.8Confident0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-113.4135.7-173.9-58.10000110.4C72 F73 C87 A91 W92C72-C112 CarbonylContact C-O 3.48Å; C72-C112 WeakPolarHBondContact CA-O 3.19Å; F73-C112 HydrophobicContact CD1-CB 4.48Å; F73-C112 WeakPolarHBondContact CD1-O 3.25Å; F73-C112 HydrophobicContact CD2-CB 4.23Å; F73-C112 HydrophobicContact CE1-CB 4.01Å; F73-C112 HydrophobicContact CE2-CB 3.72Å; F73-C112 HydrophobicContact CZ-CB 3.6Å; F73-C112 PolarHBondContact N-O 2.84Å; F73-C112 PolarHBondContact O-N 3.49Å; C87-C112 WeakPolarHBondContact CA-SG 3.26Å; C87-C112 HydrophobicContact CB-CB 3.78Å; C87-C112 WeakPolarHBondContact CB-SG 3.07Å; C87-C112 VanDerWaalsContact SG-CA 3.52Å; C87-C112 WeakPolarHBondContact SG-CB 3.03Å; C87-C112 CovalentContact SG-SG 2.04Å; C87-C112 PolarHBondContact SG-SG 3.3Å; A91-C112 HydrophobicContact CB-CB 4.18Å; W92-C112 CarbonylContact O-C 3.54Å; W92-C112 VanDerWaalsContact O-CA 3.28Å; W92-C112 WeakPolarHBondContact O-CA 3.46Å
113C98.2Very high88.7Confident2 Ų252.6 Ų52.61%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-119154.6176.1-61.80000111.9A69 K71 C72 A91 W92 A94A69-C113 HydrophobicContact CB-CB 3.68Å; K71-C113 CarbonylContact O-C 3.53Å; K71-C113 VanDerWaalsContact O-CA 3.22Å; K71-C113 WeakPolarHBondContact O-CA 3.3Å; C72-C113 HydrophobicContact CB-CB 4.17Å; C72-C113 WeakPolarHBondContact CB-SG 3.02Å; C72-C113 WeakPolarHBondContact SG-CB 3.46Å; C72-C113 CovalentContact SG-SG 2.05Å; C72-C113 PolarHBondContact SG-SG 2.83Å; A91-C113 CarbonylContact C-O 3.59Å; A91-C113 WeakPolarHBondContact CA-O 3.4Å; A91-C113 WeakPolarHBondContact CB-O 3.12Å; W92-C113 HydrophobicContact CD2-CB 4.33Å; W92-C113 HydrophobicContact CH2-CB 4.23Å; W92-C113 HydrophobicContact CZ2-CB 3.78Å; W92-C113 WeakPolarHBondContact CZ3-O 3.48Å; W92-C113 PolarHBondContact N-O 2.94Å; W92-C113 PolarHBondContact O-N 3.22Å; A94-C113 HydrophobicContact CB-CB 4.24Å; A94-C113 WeakPolarHBondContact CB-SG 3.32Å
114T96.9Very high89.9Confident44 Ų4452.2 Ų52.227%0.2727%0.265SS..EExtended strand (participates in β ladder)trans-132.1158.6175.659.60000110.4E70 K71 F73 A91E70-T114 PolarHBondContact N-O 3.41Å; K71-T114 PolarHBondContact N-O 2.91Å; K71-T114 PolarHBondContact O-N 2.9Å; F73-T114 HydrophobicContact CE1-CG2 4.08Å; A91-T114 HydrophobicContact CB-CG2 3.59Å
115S96.4Very high91.1Very high11 Ų1151.9 Ų51.98%0.07726%0.258CS..  trans-155.4134.7174177.30000108.7K68 K117 V118K68-S115 WeakPolarHBondContact O-CB 3.1Å; K68-S115 PolarHBondContact O-OG 2.87Å; S115-K117 PolarHBondContact O-N 2.97Å; S115-K117 VanDerWaalsContact O-N 3.17Å; S115-K117 PolarHBondContact OG-N 3.1Å; S115-V118 PolarHBondContact O-N 2.84Å
116K94.6Very high91.8Very high174 Ų17455.5 Ų55.576%0.75728%0.277SS*.THydrogen-bonded Turntrans-62.8-19.5173.5-67.5175-177.8-179.80112.2E70 K180E70-K116 WeakPolarHBondContact OE2-CB 3.48Å; E70-K116 WeakPolarHBondContact OE2-CG 3.46Å; E70-K116 PolarHBondContact OE2-N 2.98Å; K116-K180 WeakPolarHBondContact O-CD 3.44Å
117K94.7Very high92.2Very high124 Ų12458.7 Ų58.754%0.53929%0.293SS..THydrogen-bonded Turntrans-91.2-11.7-179.2-56.8179.8-176.4178.50113.7L67 S115 K179 K180L67-K117 HydrophobicContact CD2-CB 3.7Å; L67-K117 WeakPolarHBondContact CD2-O 3.29Å; S115-K117 PolarHBondContact O-N 2.97Å; S115-K117 VanDerWaalsContact O-N 3.17Å; S115-K117 PolarHBondContact OG-N 3.1Å; K117-K179 WeakPolarHBondContact O-CA 3.17Å; K117-K180 PolarHBondContact O-N 3.4Å
118V93.9Very high91.9Very high12 Ų1259.7 Ų59.77%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-104.8118.9179.8177.10000108.9L67 W92 S115 I120 L149 Y177L67-V118 HydrophobicContact CB-CG2 4.04Å; L67-V118 HydrophobicContact CD1-CG2 4.12Å; L67-V118 HydrophobicContact CD2-CG2 4.39Å; L67-V118 HydrophobicContact CG-CG2 4.41Å; W92-V118 HydrophobicContact CE3-CG1 4.31Å; W92-V118 HydrophobicContact CH2-CB 4.4Å; W92-V118 HydrophobicContact CH2-CG2 4.05Å; W92-V118 HydrophobicContact CZ3-CB 3.98Å; W92-V118 HydrophobicContact CZ3-CG1 4.04Å; W92-V118 HydrophobicContact CZ3-CG2 4.14Å; S115-V118 PolarHBondContact O-N 2.84Å; V118-I120 HydrophobicContact CG1-CG1 4.36Å; V118-L149 HydrophobicContact CG1-CD1 3.74Å; V118-Y177 HydrophobicContact CG1-CD2 4.14Å
119Q92.5Very high91Very high111 Ų11163.8 Ų63.852%0.51931%0.314SS..EExtended strand (participates in β ladder)trans-104.4117.8172.2-171.317821.600109.7Y177 G178 K180Q119-Y177 CarbonylContact O-C 3.54Å; Q119-Y177 WeakPolarHBondContact O-CA 3.45Å; Q119-Y177 WeakPolarHBondContact O-CB 3.28Å; Q119-G178 PolarHBondContact N-O 3.02Å; Q119-G178 PolarHBondContact O-N 3.19Å; Q119-K180 HydrophobicContact CB-CB 4.15Å; Q119-K180 HydrophobicContact CB-CG 4.48Å
120I92.5Very high89.7Confident16 Ų1660.5 Ų60.58%0.08230%0.302CS..EExtended strand (participates in β ladder)trans-91.5127.3170.9-56.9174.3000108W92 V118 P122 L149 Q151 C175W92-I120 HydrophobicContact CB-CD1 4.14Å; W92-I120 HydrophobicContact CE3-CD1 4.43Å; V118-I120 HydrophobicContact CG1-CG1 4.36Å; I120-P122 VanDerWaalsContact O-CD 3.3Å; I120-P122 WeakPolarHBondContact O-CD 3.18Å; I120-L149 HydrophobicContact CD1-CB 4.41Å; I120-L149 HydrophobicContact CD1-CD1 4.07Å; I120-L149 HydrophobicContact CG1-CD1 4Å; I120-Q151 HydrophobicContact CD1-CG 4.19Å; I120-Q151 VanDerWaalsContact CD1-NE2 3.33Å; I120-Q151 HydrophobicContact CG2-CG 4.49Å; I120-C175 HydrophobicContact CG2-CB 3.34Å
121N90.5Very high88.1Confident55 Ų5560.7 Ų60.729%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-88.4108.1-179.5-173.3-31000110N123 K124 C125 K176N121-N123 PolarHBondContact O-N 2.86Å; N121-N123 PolarHBondContact OD1-N 2.03Å; N121-K124 HydrophobicContact CB-CB 4.19Å; N121-K124 PolarHBondContact O-N 2.82Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-K124 PolarHBondContact OD1-N 2.87Å; N121-C125 PolarHBondContact O-SG 3.44Å; N121-C125 VanDerWaalsContact O-SG 3.37Å; N121-K176 PolarHBondContact N-O 3.29Å
122P84Confident86Confident88 Ų8863 Ų6357%0.57132%0.319SS*.EExtended strand (participates in β ladder)trans-66.9-23.4-175.829.1-35.9000113I120 K124 C125I120-P122 VanDerWaalsContact O-CD 3.3Å; I120-P122 WeakPolarHBondContact O-CD 3.18Å; P122-K124 VanDerWaalsContact C-N 3.29Å; P122-C125 PolarHBondContact O-SG 3.15Å
123N87.7Confident83.6Confident150 Ų15064.3 Ų64.380%0.80233%0.331SS*.EExtended strand (participates in β ladder)trans-86.6-3.9-179.7-59.4-14.5000112.2N121N121-N123 PolarHBondContact O-N 2.86Å; N121-N123 PolarHBondContact OD1-N 2.03Å
124K88.5Confident81.2Confident111 Ų11170.6 Ų70.648%0.48336%0.364SS..EExtended strand (participates in β ladder)trans-122.555.3178.2-61.8-173.6-176178.40108.9N121 P122 W148 C175 K176N121-K124 HydrophobicContact CB-CB 4.19Å; N121-K124 PolarHBondContact O-N 2.82Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-K124 PolarHBondContact OD1-N 2.87Å; P122-K124 VanDerWaalsContact C-N 3.29Å; K124-W148 WeakPolarHBondContact O-CZ3 3.48Å; K124-C175 CarbonylContact O-C 3.59Å; K124-C175 WeakPolarHBondContact O-CA 3.49Å; K124-K176 HydrophobicContact CB-CB 4.03Å; K124-K176 HydrophobicContact CB-CD 4.3Å; K124-K176 HydrophobicContact CB-CG 4.13Å; K124-K176 HydrophobicContact CD-CD 4.12Å; K124-K176 PolarHBondContact O-N 2.74Å
125C89.6Confident79Confident23 Ų2369.5 Ų69.516%0.15536%0.361CS..EExtended strand (participates in β ladder)trans-118.1143.2177-64.10000110.2N121 P122 E173 A174 C175N121-C125 PolarHBondContact O-SG 3.44Å; N121-C125 VanDerWaalsContact O-SG 3.37Å; P122-C125 PolarHBondContact O-SG 3.15Å; C125-E173 HydrophobicContact CB-CG 3.68Å; C125-E173 WeakPolarHBondContact CB-OE1 3.24Å; C125-A174 CarbonylContact C-O 3.48Å; C125-A174 VanDerWaalsContact CA-O 3.26Å; C125-A174 WeakPolarHBondContact CA-O 3.41Å; C125-C175 HydrophobicContact CB-CB 4.14Å; C125-C175 WeakPolarHBondContact CB-SG 3.36Å; C125-C175 WeakPolarHBondContact SG-CB 3.33Å; C125-C175 CovalentContact SG-SG 2.04Å; C125-C175 PolarHBondContact SG-SG 2.92Å
126N87.4Confident77Confident92 Ų9272.8 Ų72.849%0.49238%0.384SS..EExtended strand (participates in β ladder)trans-143.7139.5174.6-65.1-75000110A174N126-A174 PolarHBondContact N-O 2.7Å; N126-A174 PolarHBondContact O-N 2.7Å
127M84.3Confident75Confident82 Ų8265.7 Ų65.740%0.40436%0.358SS..EExtended strand (participates in β ladder)trans-67.7132.8172.7-63.1-56-75.500110.5L171 M172 E173M127-L171 HydrophobicContact CB-CD1 4.27Å; M127-L171 HydrophobicContact CB-CD2 4.05Å; M127-L171 HydrophobicContact CB-CG 4.06Å; M127-L171 HydrophobicContact CE-CB 4.23Å; M127-L171 HydrophobicContact CE-CD2 3.63Å; M127-L171 HydrophobicContact CE-CG 3.61Å; M127-L171 HydrophobicContact CG-CD2 4.35Å; M127-M172 CarbonylContact C-O 3.47Å; M127-M172 WeakPolarHBondContact CA-O 3.34Å; M127-E173 HydrophobicContact SD-CB 3.62Å; M127-E173 HydrophobicContact SD-CG 4.17Å
128R79.9Confident73Confident76 Ų7661.6 Ų61.629%0.28735%0.347SS..EExtended strand (participates in β ladder)trans-131.3133.1178.5-67.6-167.6175.6-177.6-2.5110.1M130 M172 A174R128-M130 HydrophobicContact CB-SD 4.4Å; R128-M130 PolarHBondContact O-N 2.7Å; R128-M172 PolarHBondContact N-O 2.79Å; R128-M172 PolarHBondContact O-N 2.84Å; R128-A174 HydrophobicContact CG-CB 4.01Å
129L70.8Confident71.1Confident88 Ų8871.2 Ų71.246%0.46138%0.382SS..EExtended strand (participates in β ladder)trans-70.5117.5170.6179.563.9000108.3A138 V169 L171L129-A138 WeakPolarHBondContact O-CB 3.49Å; L129-V169 HydrophobicContact CD1-CG1 3.73Å; L129-L171 HydrophobicContact CB-CD1 4.3Å
130M68.1Low69.3Low5 Ų567.4 Ų67.43%0.02536%0.363CS..EExtended strand (participates in β ladder)trans-106.3-35.9-175.8-75.2-51.1-44.800113.8R128 A138 Y150 L170 M172R128-M130 HydrophobicContact CB-SD 4.4Å; R128-M130 PolarHBondContact O-N 2.7Å; M130-A138 HydrophobicContact CE-CB 4.47Å; M130-A138 WeakPolarHBondContact CE-O 3.41Å; M130-A138 VanDerWaalsContact O-CB 3.27Å; M130-A138 WeakPolarHBondContact O-CB 3.1Å; M130-A138 PolarHBondContact O-N 2.96Å; M130-Y150 HydrophobicContact CG-CD1 4.32Å; M130-Y150 HydrophobicContact CG-CE1 3.78Å; M130-Y150 HydrophobicContact SD-CE1 3.62Å; M130-Y150 HydrophobicContact SD-CE2 4.42Å; M130-Y150 PolarHBondContact SD-OH 2.74Å; M130-L170 PolarHBondContact N-O 3.35Å; M130-M172 HydrophobicContact CB-CG 3.99Å; M130-M172 HydrophobicContact CB-SD 3.62Å; M130-M172 HydrophobicContact CG-CB 3.87Å; M130-M172 HydrophobicContact CG-CG 3.86Å; M130-M172 HydrophobicContact CG-SD 3.54Å; M130-M172 VanDerWaalsContact CG-SD 3.54Å
131L63.8Low67.3Low3 Ų377.4 Ų77.42%0.01640%0.4CS..EExtended strand (participates in β ladder)trans-129.4123.1174.9-173.468.5000109.6I48 I56 L170I48-L131 HydrophobicContact CG2-CB 4.44Å; I48-L131 HydrophobicContact CG2-CD2 4.35Å; I56-L131 HydrophobicContact CD1-CD2 3.68Å; L131-L170 HydrophobicContact CB-CB 4.05Å; L131-L170 HydrophobicContact CB-CD1 4.14Å; L131-L170 HydrophobicContact CB-CG 4.19Å; L131-L170 HydrophobicContact CD2-CD1 4.05Å; L131-L170 HydrophobicContact CD2-CG 4.38Å; L131-L170 PolarHBondContact N-O 2.72Å; L131-L170 PolarHBondContact O-N 2.92Å
132S54.1Low65.4Low55 Ų5580 Ų8039%0.38542%0.422SS..  trans-115.6160.9170.2-176.20000110.4N134 G135S132-N134 PolarHBondContact O-N 2.94Å; S132-G135 PolarHBondContact O-N 3.26Å
133A47.1Very low63.6Low29 Ų2982.5 Ų82.524%0.2443%0.431CS..THydrogen-bonded Turntrans-35.2-33.2-172.500000118.9K167A133-K167 HydrophobicContact CB-CB 4.21Å; A133-K167 HydrophobicContact CB-CD 3.35Å; A133-K167 VanDerWaalsContact CB-CE 3.44Å; A133-K167 HydrophobicContact CB-CG 3.7Å
134N47.4Very low62Low134 Ų13477.4 Ų77.472%0.71741%0.41SS*.THydrogen-bonded Turntrans-97.816.4-166.4-65.5-7.4000112.9S132 S136S132-N134 PolarHBondContact O-N 2.94Å; N134-S136 PolarHBondContact O-N 2.88Å
135G51.1Low60.6Low20 Ų2081.3 Ų81.321%0.20643%0.426CS..SBendtrans68.8-8.7-18000000114.2R50 S132 A137R50-G135 PolarHBondContact N-O 2.82Å; S132-G135 PolarHBondContact O-N 3.26Å; G135-A137 PolarHBondContact O-N 3.13Å
136S53.7Low59.3Low81 Ų8181.8 Ų81.857%0.56643%0.43SS*.  trans-61.9105.6167.2-360000106.7N134 A138N134-S136 PolarHBondContact O-N 2.88Å; S136-A138 PolarHBondContact O-N 2.85Å
137A53.4Low58.8Low25 Ų2578 Ų7821%0.20741%0.41CS..BIsolated β-bridgetrans-48.7133.5165.200000107.1I48 G135 R139I48-A137 WeakPolarHBondContact O-CA 3.2Å; I48-A137 WeakPolarHBondContact O-CB 3.46Å; G135-A137 PolarHBondContact O-N 3.13Å; A137-R139 HydrophobicContact CB-CG 4.21Å; A137-R139 PolarHBondContact O-N 3.38Å
138A53.4Low59Low37 Ų3775 Ų7531%0.30640%0.395SS..  trans-65.886.3161.500000105L129 M130 S136 R140L129-A138 WeakPolarHBondContact O-CB 3.49Å; M130-A138 HydrophobicContact CE-CB 4.47Å; M130-A138 WeakPolarHBondContact CE-O 3.41Å; M130-A138 VanDerWaalsContact O-CB 3.27Å; M130-A138 WeakPolarHBondContact O-CB 3.1Å; M130-A138 PolarHBondContact O-N 2.96Å; S136-A138 PolarHBondContact O-N 2.85Å; A138-R140 PolarHBondContact O-N 3.08Å
139R52.7Low59.6Low214 Ų21471.4 Ų71.481%0.80838%0.381SS*.  trans-65.9123176.7-83.8-173178.1171.90.3105.1A137 R141A137-R139 HydrophobicContact CB-CG 4.21Å; A137-R139 PolarHBondContact O-N 3.38Å; R139-R141 PolarHBondContact O-N 3.23Å
140R55.3Low60.6Low32 Ų3267.4 Ų67.412%0.12136%0.36CS..  trans-52132.6161.1-172.6-170.5178.7105.97.2107.9D46 A138 S142 A144 S146D46-R140 WeakPolarHBondContact OD1-CD 3.38Å; D46-R140 IonicContact OD1-NE 3.93Å; A138-R140 PolarHBondContact O-N 3.08Å; R140-S142 PolarHBondContact O-N 2.83Å; R140-A144 HydrophobicContact CG-CB 4.46Å; R140-A144 PolarHBondContact NH2-O 3.19Å; R140-S146 PolarHBondContact NH2-O 2.92Å
141R50Low61.7Low225 Ų22567.6 Ų67.685%0.84936%0.361SS*.  trans-58.5114.1163.5-68.5-176.7-176.8167.10.6106.4R139 N143 A144R139-R141 PolarHBondContact O-N 3.23Å; R141-N143 PolarHBondContact O-N 3.3Å; R141-A144 PolarHBondContact O-N 3.08Å; R141-A144 VanDerWaalsContact O-N 3.11Å
142S50.4Low63Low109 Ų10968 Ų6876%0.76236%0.364SS*.THydrogen-bonded Turntrans-43.5-30.4-176.949.20000113.7R140 A144R140-S142 PolarHBondContact O-N 2.83Å; S142-A144 VanDerWaalsContact C-N 3.31Å; S142-A144 PolarHBondContact O-N 2.76Å
143N47.9Very low64.8Low142 Ų14265.3 Ų65.376%0.75935%0.346SS*.THydrogen-bonded Turntrans-79.44.5-175.1-67.2-9.1000116.1R141 K145R141-N143 PolarHBondContact O-N 3.3Å; N143-K145 PolarHBondContact O-N 2.86Å
144A53.6Low66.9Low43 Ų4364.2 Ų64.236%0.35534%0.336SS..  trans-70.798179.600000111.1R140 R141 S142 S146R140-A144 HydrophobicContact CG-CB 4.46Å; R140-A144 PolarHBondContact NH2-O 3.19Å; R141-A144 PolarHBondContact O-N 3.08Å; R141-A144 VanDerWaalsContact O-N 3.11Å; S142-A144 VanDerWaalsContact C-N 3.31Å; S142-A144 PolarHBondContact O-N 2.76Å; A144-S146 PolarHBondContact O-N 3.44Å
145K58.1Low68.9Low192 Ų19257.9 Ų57.984%0.83530%0.302SS*.SBendtrans-46.3-11.9-176.2-74.4-173.5178.4-1790117.7R64 N143R64-K145 PolarHBondContact NH2-O 2.86Å; N143-K145 PolarHBondContact O-N 2.86Å
146S62.8Low70.7Confident33 Ų3362 Ų6223%0.23131%0.312CS..SBendtrans-128.2114.9178.662.60000109.5R140 A144 W148R140-S146 PolarHBondContact NH2-O 2.92Å; A144-S146 PolarHBondContact O-N 3.44Å; S146-W148 PolarHBondContact O-NE1 3.01Å; S146-W148 PolarHBondContact OG-NE1 3.38Å
147P77Confident72.1Confident12 Ų1261 Ų618%0.07830%0.3CS..  trans-66.6147.2178.434.9-39.9000109.1Y44 R64 Y177Y44-P147 HydrophobicContact CE1-CB 4.23Å; Y44-P147 WeakPolarHBondContact OH-CB 3.17Å; R64-P147 HydrophobicContact CG-CG 3.89Å; P147-Y177 HydrophobicContact CB-CD1 4.49Å; P147-Y177 HydrophobicContact CB-CE1 3.49Å; P147-Y177 VanDerWaalsContact CB-CE1 3.49Å; P147-Y177 HydrophobicContact CG-CD1 4.25Å; P147-Y177 HydrophobicContact CG-CE1 3.41Å; P147-Y177 VanDerWaalsContact CG-CE1 3.41Å; P147-Y177 WeakPolarHBondContact CG-OH 3.18Å; P147-Y177 WeakPolarHBondContact O-CD1 3.48Å
148W87.8Confident73.2Confident21 Ų2163.5 Ų63.58%0.0831%0.309CS..EExtended strand (participates in β ladder)trans-123.2144-179.4-57.566.7000107.3Y44 K124 S146 A174 C175 K176Y44-W148 WeakPolarHBondContact CD2-O 3.01Å; Y44-W148 WeakPolarHBondContact CE2-O 3.07Å; K124-W148 WeakPolarHBondContact O-CZ3 3.48Å; S146-W148 PolarHBondContact O-NE1 3.01Å; S146-W148 PolarHBondContact OG-NE1 3.38Å; W148-A174 HydrophobicContact CB-CB 3.97Å; W148-A174 HydrophobicContact CD2-CB 4.47Å; W148-A174 HydrophobicContact CE3-CB 4.27Å; W148-A174 HydrophobicContact CG-CB 4.35Å; W148-C175 CarbonylContact C-O 3.57Å; W148-C175 WeakPolarHBondContact CA-O 3.33Å; W148-C175 WeakPolarHBondContact CB-O 3.47Å; W148-K176 HydrophobicContact CD2-CG 3.94Å; W148-K176 HydrophobicContact CE3-CB 4.4Å; W148-K176 HydrophobicContact CE3-CG 3.67Å; W148-K176 HydrophobicContact CH2-CD 4.02Å; W148-K176 VanDerWaalsContact CH2-CE 3.41Å; W148-K176 HydrophobicContact CH2-CG 3.48Å; W148-K176 VanDerWaalsContact CH2-CG 3.48Å; W148-K176 HydrophobicContact CZ2-CD 4.14Å; W148-K176 HydrophobicContact CZ2-CG 3.71Å; W148-K176 HydrophobicContact CZ3-CB 4.42Å; W148-K176 HydrophobicContact CZ3-CD 4.46Å; W148-K176 HydrophobicContact CZ3-CG 3.47Å; W148-K176 VanDerWaalsContact CZ3-CG 3.47Å
149L92.6Very high74.4Confident0 Ų068.1 Ų68.10%032%0.322CS..EExtended strand (participates in β ladder)trans-101.7138.9171.1-67.1179.5000108.7Y44 L63 W92 V118 I120 C175 Y177Y44-L149 HydrophobicContact CD1-CD2 4.22Å; Y44-L149 HydrophobicContact CD2-CD2 3.78Å; Y44-L149 HydrophobicContact CG-CD2 3.52Å; L63-L149 HydrophobicContact CD2-CD2 3.81Å; W92-L149 HydrophobicContact CB-CB 3.68Å; W92-L149 HydrophobicContact CB-CD1 3.9Å; W92-L149 HydrophobicContact CB-CD2 4.24Å; W92-L149 HydrophobicContact CB-CG 4.11Å; W92-L149 HydrophobicContact CD2-CD1 3.93Å; W92-L149 HydrophobicContact CE3-CD1 4.1Å; W92-L149 HydrophobicContact CG-CB 4.34Å; W92-L149 HydrophobicContact CG-CD1 3.84Å; W92-L149 HydrophobicContact CG-CD2 4Å; W92-L149 HydrophobicContact CG-CG 4.25Å; V118-L149 HydrophobicContact CG1-CD1 3.74Å; I120-L149 HydrophobicContact CD1-CB 4.41Å; I120-L149 HydrophobicContact CD1-CD1 4.07Å; I120-L149 HydrophobicContact CG1-CD1 4Å; L149-C175 PolarHBondContact N-O 2.98Å; L149-C175 PolarHBondContact O-N 2.8Å; L149-Y177 HydrophobicContact CB-CD1 4.4Å; L149-Y177 HydrophobicContact CD1-CD1 3.87Å; L149-Y177 HydrophobicContact CD1-CD2 4.11Å; L149-Y177 HydrophobicContact CD1-CE1 4.37Å; L149-Y177 HydrophobicContact CD1-CG 3.65Å; L149-Y177 HydrophobicContact CD2-CD1 4.12Å; L149-Y177 HydrophobicContact CD2-CE1 3.93Å; L149-Y177 HydrophobicContact CG-CD1 3.43Å; L149-Y177 VanDerWaalsContact CG-CD1 3.43Å; L149-Y177 HydrophobicContact CG-CE1 3.79Å; L149-Y177 HydrophobicContact CG-CG 3.79Å
150Y92.4Very high75.6Confident3 Ų360.6 Ų60.61%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-88.4137.7175.5-58.1-77.3000110.7V45 D46 W92 L93 M130 M172 E173 A174V45-Y150 WeakPolarHBondContact O-CD2 3.29Å; V45-Y150 WeakPolarHBondContact O-CE2 3.46Å; D46-Y150 PolarHBondContact O-OH 3.26Å; W92-Y150 CarbonylContact C-O 3.44Å; W92-Y150 WeakPolarHBondContact CA-O 3.34Å; L93-Y150 PolarHBondContact N-O 3.08Å; M130-Y150 HydrophobicContact CG-CD1 4.32Å; M130-Y150 HydrophobicContact CG-CE1 3.78Å; M130-Y150 HydrophobicContact SD-CE1 3.62Å; M130-Y150 HydrophobicContact SD-CE2 4.42Å; M130-Y150 PolarHBondContact SD-OH 2.74Å; Y150-M172 VanDerWaalsContact CB-CE 3.44Å; Y150-M172 HydrophobicContact CD1-CB 3.7Å; Y150-M172 HydrophobicContact CD1-CE 4.39Å; Y150-M172 HydrophobicContact CD1-SD 4.33Å; Y150-M172 HydrophobicContact CE1-CB 4.38Å; Y150-M172 HydrophobicContact CG-CB 4.33Å; Y150-M172 HydrophobicContact CG-CE 3.89Å; Y150-M172 HydrophobicContact CG-SD 4.26Å; Y150-E173 CarbonylContact C-O 3.49Å; Y150-E173 VanDerWaalsContact CA-O 3.23Å; Y150-E173 WeakPolarHBondContact CA-O 3.16Å; Y150-A174 HydrophobicContact CD1-CB 3.78Å; Y150-A174 HydrophobicContact CE1-CB 3.58Å
151Q91.2Very high76.7Confident9 Ų971.9 Ų71.94%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-122-78.6178.7-53.8-164.3-8600111.6C87 K90 A91 I120 E173 C175C87-Q151 PolarHBondContact N-O 2.75Å; K90-Q151 VanDerWaalsContact N-NE2 3.18Å; A91-Q151 VanDerWaalsContact O-CG 3.32Å; A91-Q151 WeakPolarHBondContact O-CG 3.28Å; A91-Q151 PolarHBondContact O-NE2 2.88Å; I120-Q151 HydrophobicContact CD1-CG 4.19Å; I120-Q151 VanDerWaalsContact CD1-NE2 3.33Å; I120-Q151 HydrophobicContact CG2-CG 4.49Å; Q151-E173 PolarHBondContact N-O 2.7Å; Q151-C175 PolarHBondContact OE1-SG 2.91Å; Q151-C175 VanDerWaalsContact OE1-SG 3.37Å
152A90.1Very high78.3Confident11 Ų1165.7 Ų65.79%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-71.7143.6179.100000111.3V84 E85 M172 E173V84-A152 HydrophobicContact CG1-CB 3.53Å; E85-A152 CarbonylContact O-C 3.1Å; E85-A152 VanDerWaalsContact O-CA 3.28Å; E85-A152 WeakPolarHBondContact O-CA 3.36Å; A152-M172 CarbonylContact O-C 3.52Å; A152-M172 VanDerWaalsContact O-CA 3.27Å; A152-M172 WeakPolarHBondContact O-CA 3.47Å; A152-E173 HydrophobicContact CB-CB 3.65Å; A152-E173 PolarHBondContact O-N 2.73Å
153I92.7Very high79.4Confident0 Ų062.4 Ų62.40%032%0.323CS..EExtended strand (participates in β ladder)trans-131.4120.3178.1-52.7176.2000107.7L78 E85 L93 F96 P110 L170 L171 M172L78-I153 HydrophobicContact CD1-CB 4.37Å; L78-I153 HydrophobicContact CD1-CD1 4.42Å; L78-I153 HydrophobicContact CD1-CG2 3.7Å; L78-I153 HydrophobicContact CD2-CB 4.19Å; L78-I153 HydrophobicContact CD2-CG2 4.34Å; E85-I153 CarbonylContact C-O 3.54Å; E85-I153 WeakPolarHBondContact CA-O 2.98Å; E85-I153 PolarHBondContact N-O 3.42Å; E85-I153 PolarHBondContact O-N 3.49Å; L93-I153 HydrophobicContact CD1-CD1 4.1Å; L93-I153 HydrophobicContact CD2-CD1 4.32Å; F96-I153 HydrophobicContact CE1-CD1 3.88Å; F96-I153 HydrophobicContact CZ-CD1 3.99Å; P110-I153 HydrophobicContact CB-CD1 4.37Å; P110-I153 HydrophobicContact CG-CD1 4.06Å; I153-L170 HydrophobicContact CG2-CD2 4.02Å; I153-L171 CarbonylContact C-O 3.51Å; I153-L171 WeakPolarHBondContact CA-O 3.34Å; I153-M172 HydrophobicContact CD1-CE 3.82Å; I153-M172 HydrophobicContact CG1-CE 3.71Å; I153-M172 HydrophobicContact CG1-CG 4.31Å; I153-M172 HydrophobicContact CG2-CG 4.36Å
154T92Very high80.7Confident6 Ų660.9 Ų60.94%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-102.1117.1166.7-51.60000108.1G82 Y156 L171G82-T154 WeakPolarHBondContact O-CG2 3.43Å; T154-Y156 HydrophobicContact CG2-CD2 4.26Å; T154-Y156 HydrophobicContact CG2-CE2 3.35Å; T154-Y156 WeakPolarHBondContact CG2-OH 3.13Å; T154-L171 PolarHBondContact N-O 2.73Å; T154-L171 PolarHBondContact O-N 2.8Å
155C89.8Confident81.5Confident0 Ų060.8 Ų60.80%030%0.302CS..EExtended strand (participates in β ladder)trans-108.8142.1-179.2-179.20000111.2L78 C80 G82 V169 L170L78-C155 HydrophobicContact CB-CB 4.37Å; L78-C155 HydrophobicContact CD1-CB 4.16Å; C80-C155 CarbonylContact C-O 3.53Å; C80-C155 WeakPolarHBondContact CA-O 3.21Å; C80-C155 HydrophobicContact CB-CB 3.7Å; C80-C155 WeakPolarHBondContact CB-SG 3.42Å; C80-C155 WeakPolarHBondContact SG-CB 3.47Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 2.98Å; G82-C155 WeakPolarHBondContact CA-O 3.46Å; G82-C155 PolarHBondContact N-O 3.21Å; C155-V169 WeakPolarHBondContact CA-O 3.2Å; C155-L170 HydrophobicContact CB-CD2 3.72Å
156Y87.5Confident82Confident108 Ų10860 Ų6042%0.42429%0.294SS..EExtended strand (participates in β ladder)trans-134.5143.3172.8-56.9-94.3000110.8G82 T154 T168 V169G82-Y156 VanDerWaalsContact CA-CZ 3.48Å; T154-Y156 HydrophobicContact CG2-CD2 4.26Å; T154-Y156 HydrophobicContact CG2-CE2 3.35Å; T154-Y156 WeakPolarHBondContact CG2-OH 3.13Å; Y156-T168 WeakPolarHBondContact O-CA 3.37Å; Y156-V169 PolarHBondContact N-O 3.35Å; Y156-V169 PolarHBondContact O-N 2.73Å
157L82.5Confident82.5Confident59 Ų5960.5 Ų60.531%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-103.7115.7170-58.3172.7000109.2C80 I165 K167 T168C80-L157 HydrophobicContact CB-CD1 4.09Å; C80-L157 HydrophobicContact CB-CD2 4.14Å; C80-L157 HydrophobicContact CB-CG 3.69Å; L157-I165 HydrophobicContact CB-CG1 4.44Å; L157-I165 HydrophobicContact CD1-CD1 3.76Å; L157-I165 HydrophobicContact CD1-CG1 4.5Å; L157-I165 HydrophobicContact CD2-CD1 4.49Å; L157-I165 HydrophobicContact CD2-CG2 4.16Å; L157-I165 HydrophobicContact CG-CD1 4.48Å; L157-K167 WeakPolarHBondContact CA-O 3.2Å; L157-T168 HydrophobicContact CD2-CG2 4.21Å
158M78.2Confident82.5Confident78 Ų7860.3 Ų60.338%0.38429%0.291SS..EExtended strand (participates in β ladder)trans-87.3120.1167.4-59.9-167.9-112.100109.1R166 K167 V169M158-R166 WeakPolarHBondContact O-CA 3.49Å; M158-R166 WeakPolarHBondContact O-CB 3.45Å; M158-R166 PolarHBondContact O-N 3.35Å; M158-K167 HydrophobicContact CB-CB 4Å; M158-K167 HydrophobicContact CB-CD 4.27Å; M158-K167 HydrophobicContact CB-CG 4.4Å; M158-K167 HydrophobicContact CE-CB 3.91Å; M158-K167 HydrophobicContact CE-CD 3.31Å; M158-K167 HydrophobicContact CE-CG 4.21Å; M158-K167 HydrophobicContact CG-CB 4.38Å; M158-K167 HydrophobicContact CG-CD 4.49Å; M158-K167 PolarHBondContact N-O 3.26Å; M158-K167 PolarHBondContact O-N 3.21Å; M158-K167 VanDerWaalsContact O-N 3.08Å; M158-K167 HydrophobicContact SD-CD 3.7Å; M158-V169 HydrophobicContact CE-CG2 3.34Å; M158-V169 HydrophobicContact CG-CG2 4.42Å
159K78Confident82.3Confident133 Ų13360.5 Ų60.558%0.57830%0.295SS*.EExtended strand (participates in β ladder)trans-95.5152.9176.5-64.2176.8177.6-174.90110.9G163 K164 I165K159-G163 WeakPolarHBondContact CD-O 3.04Å; K159-G163 WeakPolarHBondContact CG-O 2.86Å; K159-K164 CarbonylContact C-O 3.5Å; K159-K164 WeakPolarHBondContact CA-O 3.5Å; K159-I165 HydrophobicContact CG-CG1 3.96Å
160T76.8Confident82.1Confident56 Ų5660.5 Ų60.534%0.34430%0.295SS..PPolyproline II helixtrans-70.4170.5164.165.40000110A162 G163 K164 R166T160-A162 PolarHBondContact O-N 3.41Å; T160-A162 PolarHBondContact OG1-N 2.8Å; T160-G163 PolarHBondContact O-N 3.24Å; T160-K164 PolarHBondContact N-O 2.75Å; T160-K164 PolarHBondContact OG1-N 2.77Å; T160-K164 PolarHBondContact OG1-O 3.47Å; T160-R166 HydrophobicContact CG2-CB 3.86Å; T160-R166 HydrophobicContact CG2-CG 4.18Å
161R79.8Confident82Confident269 Ų26962.9 Ų62.9100%1.01531%0.307SS*.THydrogen-bonded Turntrans-58.1-28.3171.8-68.4-174.5-178.7172.90112.8G163R161-G163 PolarHBondContact O-N 2.7Å
162A82.1Confident81.9Confident95 Ų9562.5 Ų62.579%0.78531%0.305SS*.THydrogen-bonded Turntrans-81.87.2176.500000113.6T160 K164T160-A162 PolarHBondContact O-N 3.41Å; T160-A162 PolarHBondContact OG1-N 2.8Å; A162-K164 PolarHBondContact O-N 2.8Å
163G74.4Confident82Confident41 Ų4164.8 Ų64.842%0.42331%0.314SS..SBendtrans83.3-17.8179.400000115.2K159 T160 R161 I165K159-G163 WeakPolarHBondContact CD-O 3.04Å; K159-G163 WeakPolarHBondContact CG-O 2.86Å; T160-G163 PolarHBondContact O-N 3.24Å; R161-G163 PolarHBondContact O-N 2.7Å; G163-I165 PolarHBondContact O-N 2.68Å
164K74.6Confident81.9Confident110 Ų11064.8 Ų64.848%0.47831%0.314SS..  trans-59.2131.6176.1178.7168.6-173.2175.50111.7E103 K159 T160 A162 R166E103-K164 WeakPolarHBondContact OE2-CA 3.5Å; E103-K164 WeakPolarHBondContact OE2-CG 3.43Å; K159-K164 CarbonylContact C-O 3.5Å; K159-K164 WeakPolarHBondContact CA-O 3.5Å; T160-K164 PolarHBondContact N-O 2.75Å; T160-K164 PolarHBondContact OG1-N 2.77Å; T160-K164 PolarHBondContact OG1-O 3.47Å; A162-K164 PolarHBondContact O-N 2.8Å; K164-R166 PolarHBondContact O-N 3.38Å
165I70.4Confident81.9Confident40 Ų4064.5 Ų64.521%0.20531%0.312CS..EExtended strand (participates in β ladder)trans-66.8119177.3-68.3164.4000108.9V105 L157 K159 G163V105-I165 HydrophobicContact CB-CD1 4.24Å; V105-I165 HydrophobicContact CG1-CD1 3.79Å; V105-I165 HydrophobicContact CG1-CG2 4.47Å; V105-I165 HydrophobicContact CG2-CB 3.5Å; V105-I165 HydrophobicContact CG2-CD1 3.57Å; V105-I165 HydrophobicContact CG2-CG1 4.07Å; V105-I165 HydrophobicContact CG2-CG2 3.75Å; L157-I165 HydrophobicContact CB-CG1 4.44Å; L157-I165 HydrophobicContact CD1-CD1 3.76Å; L157-I165 HydrophobicContact CD1-CG1 4.5Å; L157-I165 HydrophobicContact CD2-CD1 4.49Å; L157-I165 HydrophobicContact CD2-CG2 4.16Å; L157-I165 HydrophobicContact CG-CD1 4.48Å; K159-I165 HydrophobicContact CG-CG1 3.96Å; G163-I165 PolarHBondContact O-N 2.68Å
166R70.1Confident81.9Confident175 Ų17568.2 Ų68.266%0.6633%0.329SS*.EExtended strand (participates in β ladder)trans-92.5-38.3179.2-166.8-174.1167.6-176.6-0.8111.1M158 T160 K164M158-R166 WeakPolarHBondContact O-CA 3.49Å; M158-R166 WeakPolarHBondContact O-CB 3.45Å; M158-R166 PolarHBondContact O-N 3.35Å; T160-R166 HydrophobicContact CG2-CB 3.86Å; T160-R166 HydrophobicContact CG2-CG 4.18Å; K164-R166 PolarHBondContact O-N 3.38Å
167K72.3Confident82.2Confident44 Ų4464.3 Ų64.319%0.19131%0.313CS..EExtended strand (participates in β ladder)trans-149.9141.1-168-47.7166.3168.5-164.60111.3A133 L157 M158A133-K167 HydrophobicContact CB-CB 4.21Å; A133-K167 HydrophobicContact CB-CD 3.35Å; A133-K167 VanDerWaalsContact CB-CE 3.44Å; A133-K167 HydrophobicContact CB-CG 3.7Å; L157-K167 WeakPolarHBondContact CA-O 3.2Å; M158-K167 HydrophobicContact CB-CB 4Å; M158-K167 HydrophobicContact CB-CD 4.27Å; M158-K167 HydrophobicContact CB-CG 4.4Å; M158-K167 HydrophobicContact CE-CB 3.91Å; M158-K167 HydrophobicContact CE-CD 3.31Å; M158-K167 HydrophobicContact CE-CG 4.21Å; M158-K167 HydrophobicContact CG-CB 4.38Å; M158-K167 HydrophobicContact CG-CD 4.49Å; M158-K167 PolarHBondContact N-O 3.26Å; M158-K167 PolarHBondContact O-N 3.21Å; M158-K167 VanDerWaalsContact O-N 3.08Å; M158-K167 HydrophobicContact SD-CD 3.7Å
168T77.7Confident82.5Confident9 Ų963 Ų636%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-104.7126.7164.1-49.40000108Y156 L157 L170Y156-T168 WeakPolarHBondContact O-CA 3.37Å; L157-T168 HydrophobicContact CD2-CG2 4.21Å; T168-L170 HydrophobicContact CG2-CD2 4.22Å; T168-L170 HydrophobicContact CG2-CG 4.47Å
169V83.8Confident83Confident25 Ų2565.6 Ų65.615%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-108.3129.6175.1-179.20000108.3L129 C155 Y156 M158L129-V169 HydrophobicContact CD1-CG1 3.73Å; C155-V169 WeakPolarHBondContact CA-O 3.2Å; Y156-V169 PolarHBondContact N-O 3.35Å; Y156-V169 PolarHBondContact O-N 2.73Å; M158-V169 HydrophobicContact CE-CG2 3.34Å; M158-V169 HydrophobicContact CG-CG2 4.42Å
170L87.9Confident83.4Confident0 Ų068.2 Ų68.20%033%0.334CS..EExtended strand (participates in β ladder)trans-118.5112.6174.5-58.9176.9000109.4I48 I56 L78 L108 M130 L131 I153 C155 T168I48-L170 HydrophobicContact CD1-CD1 4.27Å; I48-L170 HydrophobicContact CG2-CD1 4.22Å; I56-L170 HydrophobicContact CD1-CD1 4.48Å; L78-L170 HydrophobicContact CD1-CD2 4.19Å; L108-L170 HydrophobicContact CD1-CD1 3.91Å; L108-L170 HydrophobicContact CD1-CD2 4.28Å; M130-L170 PolarHBondContact N-O 3.35Å; L131-L170 HydrophobicContact CB-CB 4.05Å; L131-L170 HydrophobicContact CB-CD1 4.14Å; L131-L170 HydrophobicContact CB-CG 4.19Å; L131-L170 HydrophobicContact CD2-CD1 4.05Å; L131-L170 HydrophobicContact CD2-CG 4.38Å; L131-L170 PolarHBondContact N-O 2.72Å; L131-L170 PolarHBondContact O-N 2.92Å; I153-L170 HydrophobicContact CG2-CD2 4.02Å; C155-L170 HydrophobicContact CB-CD2 3.72Å; T168-L170 HydrophobicContact CG2-CD2 4.22Å; T168-L170 HydrophobicContact CG2-CG 4.47Å
171L89.5Confident83.7Confident53 Ų5368.8 Ų68.828%0.27733%0.334SS..EExtended strand (participates in β ladder)trans-99.8127.1167.7-171.975.2000107.5M127 L129 I153 T154M127-L171 HydrophobicContact CB-CD1 4.27Å; M127-L171 HydrophobicContact CB-CD2 4.05Å; M127-L171 HydrophobicContact CB-CG 4.06Å; M127-L171 HydrophobicContact CE-CB 4.23Å; M127-L171 HydrophobicContact CE-CD2 3.63Å; M127-L171 HydrophobicContact CE-CG 3.61Å; M127-L171 HydrophobicContact CG-CD2 4.35Å; L129-L171 HydrophobicContact CB-CD1 4.3Å; I153-L171 CarbonylContact C-O 3.51Å; I153-L171 WeakPolarHBondContact CA-O 3.34Å; T154-L171 PolarHBondContact N-O 2.73Å; T154-L171 PolarHBondContact O-N 2.8Å
172M90.1Very high83.9Confident0 Ų058.3 Ų58.30%030%0.298CS..EExtended strand (participates in β ladder)trans-126.7138.4-172-59.6-176.278.600111.7I48 L93 M127 R128 M130 Y150 A152 I153 A174I48-M172 HydrophobicContact CD1-CE 3.99Å; I48-M172 HydrophobicContact CD1-SD 3.33Å; I48-M172 WeakPolarHBondContact CD1-SD 3.36Å; L93-M172 HydrophobicContact CB-CE 4.44Å; L93-M172 HydrophobicContact CD2-CE 3.3Å; L93-M172 HydrophobicContact CG-CE 4.42Å; M127-M172 CarbonylContact C-O 3.47Å; M127-M172 WeakPolarHBondContact CA-O 3.34Å; R128-M172 PolarHBondContact N-O 2.79Å; R128-M172 PolarHBondContact O-N 2.84Å; M130-M172 HydrophobicContact CB-CG 3.99Å; M130-M172 HydrophobicContact CB-SD 3.62Å; M130-M172 HydrophobicContact CG-CB 3.87Å; M130-M172 HydrophobicContact CG-CG 3.86Å; M130-M172 HydrophobicContact CG-SD 3.54Å; M130-M172 VanDerWaalsContact CG-SD 3.54Å; Y150-M172 VanDerWaalsContact CB-CE 3.44Å; Y150-M172 HydrophobicContact CD1-CB 3.7Å; Y150-M172 HydrophobicContact CD1-CE 4.39Å; Y150-M172 HydrophobicContact CD1-SD 4.33Å; Y150-M172 HydrophobicContact CE1-CB 4.38Å; Y150-M172 HydrophobicContact CG-CB 4.33Å; Y150-M172 HydrophobicContact CG-CE 3.89Å; Y150-M172 HydrophobicContact CG-SD 4.26Å; A152-M172 CarbonylContact O-C 3.52Å; A152-M172 VanDerWaalsContact O-CA 3.27Å; A152-M172 WeakPolarHBondContact O-CA 3.47Å; I153-M172 HydrophobicContact CD1-CE 3.82Å; I153-M172 HydrophobicContact CG1-CE 3.71Å; I153-M172 HydrophobicContact CG1-CG 4.31Å; I153-M172 HydrophobicContact CG2-CG 4.36Å; M172-A174 PolarHBondContact O-N 2.68Å
173E91.3Very high84Confident59 Ų5956.2 Ų56.228%0.27627%0.271SS..EExtended strand (participates in β ladder)trans-76.9109.9172.8-170.5-179.8-137.800109.7C125 M127 Y150 Q151 A152C125-E173 HydrophobicContact CB-CG 3.68Å; C125-E173 WeakPolarHBondContact CB-OE1 3.24Å; M127-E173 HydrophobicContact SD-CB 3.62Å; M127-E173 HydrophobicContact SD-CG 4.17Å; Y150-E173 CarbonylContact C-O 3.49Å; Y150-E173 VanDerWaalsContact CA-O 3.23Å; Y150-E173 WeakPolarHBondContact CA-O 3.16Å; Q151-E173 PolarHBondContact N-O 2.7Å; A152-E173 HydrophobicContact CB-CB 3.65Å; A152-E173 PolarHBondContact O-N 2.73Å
174A90.4Very high84.6Confident0 Ų057.1 Ų57.10%026%0.262CS..EExtended strand (participates in β ladder)trans-92.6121.7174.200000109.4C125 N126 R128 W148 Y150 M172C125-A174 CarbonylContact C-O 3.48Å; C125-A174 VanDerWaalsContact CA-O 3.26Å; C125-A174 WeakPolarHBondContact CA-O 3.41Å; N126-A174 PolarHBondContact N-O 2.7Å; N126-A174 PolarHBondContact O-N 2.7Å; R128-A174 HydrophobicContact CG-CB 4.01Å; W148-A174 HydrophobicContact CB-CB 3.97Å; W148-A174 HydrophobicContact CD2-CB 4.47Å; W148-A174 HydrophobicContact CE3-CB 4.27Å; W148-A174 HydrophobicContact CG-CB 4.35Å; Y150-A174 HydrophobicContact CD1-CB 3.78Å; Y150-A174 HydrophobicContact CE1-CB 3.58Å; M172-A174 PolarHBondContact O-N 2.68Å
175C91.9Very high85.2Confident0 Ų053.8 Ų53.80%025%0.249CC..EExtended strand (participates in β ladder)trans-116.4138.9-178.5-61.40000112.5I120 K124 C125 W148 L149 Q151I120-C175 HydrophobicContact CG2-CB 3.34Å; K124-C175 CarbonylContact O-C 3.59Å; K124-C175 WeakPolarHBondContact O-CA 3.49Å; C125-C175 HydrophobicContact CB-CB 4.14Å; C125-C175 WeakPolarHBondContact CB-SG 3.36Å; C125-C175 WeakPolarHBondContact SG-CB 3.33Å; C125-C175 CovalentContact SG-SG 2.04Å; C125-C175 PolarHBondContact SG-SG 2.92Å; W148-C175 CarbonylContact C-O 3.57Å; W148-C175 WeakPolarHBondContact CA-O 3.33Å; W148-C175 WeakPolarHBondContact CB-O 3.47Å; L149-C175 PolarHBondContact N-O 2.98Å; L149-C175 PolarHBondContact O-N 2.8Å; Q151-C175 PolarHBondContact OE1-SG 2.91Å; Q151-C175 VanDerWaalsContact OE1-SG 3.37Å
176K91.3Very high86.2Confident79 Ų7954.7 Ų54.734%0.34325%0.252SS..EExtended strand (participates in β ladder)trans-65.5142.5171.1-68.9-165.8179176.30109.3N121 K124 W148N121-K176 PolarHBondContact N-O 3.29Å; K124-K176 HydrophobicContact CB-CB 4.03Å; K124-K176 HydrophobicContact CB-CD 4.3Å; K124-K176 HydrophobicContact CB-CG 4.13Å; K124-K176 HydrophobicContact CD-CD 4.12Å; K124-K176 PolarHBondContact O-N 2.74Å; W148-K176 HydrophobicContact CD2-CG 3.94Å; W148-K176 HydrophobicContact CE3-CB 4.4Å; W148-K176 HydrophobicContact CE3-CG 3.67Å; W148-K176 HydrophobicContact CH2-CD 4.02Å; W148-K176 VanDerWaalsContact CH2-CE 3.41Å; W148-K176 HydrophobicContact CH2-CG 3.48Å; W148-K176 VanDerWaalsContact CH2-CG 3.48Å; W148-K176 HydrophobicContact CZ2-CD 4.14Å; W148-K176 HydrophobicContact CZ2-CG 3.71Å; W148-K176 HydrophobicContact CZ3-CB 4.42Å; W148-K176 HydrophobicContact CZ3-CD 4.46Å; W148-K176 HydrophobicContact CZ3-CG 3.47Å; W148-K176 VanDerWaalsContact CZ3-CG 3.47Å
177Y92.2Very high87.4Confident25 Ų2546.1 Ų46.110%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-130.4162173.677.2-82.8000111.9L63 R64 L67 V118 Q119 P147 L149L63-Y177 WeakPolarHBondContact CA-OH 3.42Å; L63-Y177 HydrophobicContact CD2-CE2 3.92Å; R64-Y177 HydrophobicContact CB-CE2 4.42Å; R64-Y177 PolarHBondContact N-OH 3.4Å; R64-Y177 VanDerWaalsContact N-OH 3.11Å; L67-Y177 HydrophobicContact CD1-CD2 4.49Å; L67-Y177 HydrophobicContact CD1-CE2 4.26Å; V118-Y177 HydrophobicContact CG1-CD2 4.14Å; Q119-Y177 CarbonylContact O-C 3.54Å; Q119-Y177 WeakPolarHBondContact O-CA 3.45Å; Q119-Y177 WeakPolarHBondContact O-CB 3.28Å; P147-Y177 HydrophobicContact CB-CD1 4.49Å; P147-Y177 HydrophobicContact CB-CE1 3.49Å; P147-Y177 VanDerWaalsContact CB-CE1 3.49Å; P147-Y177 HydrophobicContact CG-CD1 4.25Å; P147-Y177 HydrophobicContact CG-CE1 3.41Å; P147-Y177 VanDerWaalsContact CG-CE1 3.41Å; P147-Y177 WeakPolarHBondContact CG-OH 3.18Å; P147-Y177 WeakPolarHBondContact O-CD1 3.48Å; L149-Y177 HydrophobicContact CB-CD1 4.4Å; L149-Y177 HydrophobicContact CD1-CD1 3.87Å; L149-Y177 HydrophobicContact CD1-CD2 4.11Å; L149-Y177 HydrophobicContact CD1-CE1 4.37Å; L149-Y177 HydrophobicContact CD1-CG 3.65Å; L149-Y177 HydrophobicContact CD2-CD1 4.12Å; L149-Y177 HydrophobicContact CD2-CE1 3.93Å; L149-Y177 HydrophobicContact CG-CD1 3.43Å; L149-Y177 VanDerWaalsContact CG-CD1 3.43Å; L149-Y177 HydrophobicContact CG-CE1 3.79Å; L149-Y177 HydrophobicContact CG-CG 3.79Å
178G89.4Confident88.5Confident32 Ų3246.3 Ų46.333%0.3323%0.225SC..EExtended strand (participates in β ladder)trans-147.3178.7172.500000111.4Q119Q119-G178 PolarHBondContact N-O 3.02Å; Q119-G178 PolarHBondContact O-N 3.19Å
179K89.3Confident89.4Confident133 Ų13349.4 Ų49.458%0.57824%0.239SC*.EExtended strand (participates in β ladder)trans-71.9133.1163.8-176.3175.8175.3-170.70107.5L67 K117L67-K179 HydrophobicContact CD1-CB 4.29Å; L67-K179 HydrophobicContact CD2-CB 4.35Å; L67-K179 HydrophobicContact CD2-CG 4.15Å; K117-K179 WeakPolarHBondContact O-CA 3.17Å
180K86.1Confident89.9Confident187 Ų18751.6 Ų51.681%0.81325%0.247SC*.  trans-66.60171.3-168.1-179.5177.4-171.20110.7K116 K117 Q119K116-K180 WeakPolarHBondContact O-CD 3.44Å; K117-K180 PolarHBondContact O-N 3.4Å; Q119-K180 HydrophobicContact CB-CB 4.15Å; Q119-K180 HydrophobicContact CB-CG 4.48Å

Retrieved 180 of 180 residues in 47.3 ms (Link to these results)