A0A077ZH82_TRITR Loading...

C15orf24 protein

AlphaFold DB , UniProt , Accession A0A077ZH82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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
1M72.1Confident83.8Confident204 Ų204123.9 Ų123.9100%1.00563%0.634SS**  0-37.50-136.7167.293.200114.5I3 Q4M1-I3 PolarHBondContact O-N 3.43Å; M1-Q4 PolarHBondContact O-N 3.5Å
2K81Confident83.6Confident191 Ų191122.4 Ų122.483%0.8363%0.626SS**Hα-helixtrans-64.9-36.3-177.6-66-179.6178178.80115.1F6K2-F6 PolarHBondContact O-N 3.25Å
3I87.8Confident83.2Confident135 Ų135126.7 Ų126.769%0.69263%0.632SS**Hα-helixtrans-68.1-37.5179.5-68.4162.9000112.2M1 L5 F6 L7M1-I3 PolarHBondContact O-N 3.43Å; I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 2.78Å; I3-F6 PolarHBondContact O-N 3Å; I3-L7 HydrophobicContact CG2-CD1 4.4Å; I3-L7 PolarHBondContact O-N 2.74Å; I3-L7 VanDerWaalsContact O-N 3.11Å
4Q83.6Confident82.7Confident133 Ų133119.9 Ų119.962%0.62161%0.61SS**Hα-helixtrans-64.5-39.3179.3-158.987.1-31.900111.8M1 F6 L8M1-Q4 PolarHBondContact O-N 3.5Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; Q4-L8 PolarHBondContact O-N 3.32Å; Q4-L8 VanDerWaalsContact O-N 3.15Å
5L84.1Confident82Confident121 Ų121117.2 Ų117.263%0.63461%0.605SS**Hα-helixtrans-67-35.7176.9-122.1116.5000111.8I3 S9I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 2.78Å; L5-S9 PolarHBondContact O-N 3.3Å; L5-S9 VanDerWaalsContact O-N 3.08Å
6F88.2Confident81.2Confident144 Ų144115.8 Ų115.863%0.63260%0.603SS**Hα-helixtrans-67.6-43.7177.6-160.8-98.4000111.7K2 I3 Q4 L8 S9 L10K2-F6 PolarHBondContact O-N 3.25Å; I3-F6 PolarHBondContact O-N 3Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 2.8Å; F6-S9 PolarHBondContact O-N 2.82Å; F6-S9 PolarHBondContact O-OG 3.43Å; F6-L10 PolarHBondContact O-N 2.82Å
7L87.3Confident80.3Confident103 Ų103112.7 Ų112.754%0.53959%0.594SS.*Hα-helixtrans-63.5-40.2176.3-70.8174.1000112.8I3 L10 A11I3-L7 HydrophobicContact CG2-CD1 4.4Å; I3-L7 PolarHBondContact O-N 2.74Å; I3-L7 VanDerWaalsContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 3Å; L7-A11 WeakPolarHBondContact O-CB 3.26Å; L7-A11 PolarHBondContact O-N 3.35Å
8L86.3Confident79.2Confident106 Ų106113.6 Ų113.656%0.55560%0.597SS**Hα-helixtrans-62.6-41.2173.9-85161.4000111.9Q4 F6 L10 A11 I12Q4-L8 PolarHBondContact O-N 3.32Å; Q4-L8 VanDerWaalsContact O-N 3.15Å; F6-L8 PolarHBondContact O-N 2.8Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.85Å; L8-A11 PolarHBondContact O-N 3.05Å; L8-I12 WeakPolarHBondContact O-CD1 3.4Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.18Å; L8-I12 PolarHBondContact O-N 2.88Å
9S83.2Confident78.1Confident51 Ų51114.4 Ų114.436%0.35760%0.602SS.*Hα-helixtrans-63.6-39.1176.4780000112.2L5 F6 I12 Y13L5-S9 PolarHBondContact O-N 3.3Å; L5-S9 VanDerWaalsContact O-N 3.08Å; F6-S9 PolarHBondContact O-N 2.82Å; F6-S9 PolarHBondContact O-OG 3.43Å; S9-I12 PolarHBondContact O-N 3.19Å; S9-Y13 PolarHBondContact O-N 2.7Å
10L84.5Confident77.1Confident113 Ų113112.4 Ų112.459%0.59260%0.603SS**Hα-helixtrans-68-39.7177.8-156.699.1000111.4F6 L7 L8 Y13 G14F6-L10 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 3Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.85Å; L10-Y13 PolarHBondContact O-N 3.35Å; L10-G14 PolarHBondContact O-N 3.4Å
11A83.6Confident76Confident62 Ų62115.9 Ų115.951%0.51261%0.613SS.*Hα-helixtrans-65-41.7176.800000111.7L7 L8 G14 C15L7-A11 WeakPolarHBondContact O-CB 3.26Å; L7-A11 PolarHBondContact O-N 3.35Å; L8-A11 PolarHBondContact O-N 3.05Å; A11-G14 PolarHBondContact O-N 2.92Å; A11-C15 VanDerWaalsContact O-CB 3.26Å; A11-C15 WeakPolarHBondContact O-CB 3.14Å; A11-C15 PolarHBondContact O-N 2.66Å
12I81.3Confident75.1Confident106 Ų106110.4 Ų110.454%0.54460%0.599SS.*Hα-helixtrans-65.7-46176-63.9163000110.4L8 S9 G14 C15 V16L8-I12 WeakPolarHBondContact O-CD1 3.4Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.18Å; L8-I12 PolarHBondContact O-N 2.88Å; S9-I12 PolarHBondContact O-N 3.19Å; I12-G14 VanDerWaalsContact C-N 3.34Å; I12-G14 PolarHBondContact O-N 3.02Å; I12-C15 PolarHBondContact O-N 3.16Å; I12-V16 HydrophobicContact CG2-CG2 4.39Å; I12-V16 VanDerWaalsContact O-CG2 3.27Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 2.83Å
13Y79.1Confident73.7Confident178 Ų178105.1 Ų105.170%0.69859%0.592SS**Hα-helixtrans-61.9-40.5176.2-102.9-88.5000112.8S9 L10 S17S9-Y13 PolarHBondContact O-N 2.7Å; L10-Y13 PolarHBondContact O-N 3.35Å; Y13-S17 WeakPolarHBondContact O-CB 3.39Å; Y13-S17 PolarHBondContact O-N 3.43Å; Y13-S17 PolarHBondContact O-OG 3.32Å
14G75.8Confident71.8Confident32 Ų32105.4 Ų105.433%0.3360%0.595SS.*Hα-helixtrans-62.2-45.1173.600000111.9L10 A11 I12 V16 S17 I18L10-G14 PolarHBondContact O-N 3.4Å; A11-G14 PolarHBondContact O-N 2.92Å; I12-G14 VanDerWaalsContact C-N 3.34Å; I12-G14 PolarHBondContact O-N 3.02Å; G14-V16 PolarHBondContact O-N 2.74Å; G14-S17 PolarHBondContact O-N 2.75Å; G14-I18 VanDerWaalsContact O-CG1 3.28Å; G14-I18 WeakPolarHBondContact O-CG1 3.43Å; G14-I18 PolarHBondContact O-N 3.33Å
15C72.4Confident70.2Confident79 Ų79107.6 Ų107.653%0.53461%0.605SS.*Hα-helixtrans-66.4-38.6179.8-153.40000112.4A11 I12 S17 I18 N19A11-C15 VanDerWaalsContact O-CB 3.26Å; A11-C15 WeakPolarHBondContact O-CB 3.14Å; A11-C15 PolarHBondContact O-N 2.66Å; I12-C15 PolarHBondContact O-N 3.16Å; C15-S17 VanDerWaalsContact C-N 3.32Å; C15-I18 PolarHBondContact O-N 2.7Å; C15-N19 PolarHBondContact O-N 2.72Å
16V69.4Low68.5Low94 Ų94107.5 Ų107.557%0.5761%0.609SS**Hα-helixtrans-64.9-37.6173.9172.10000111.1I12 G14 A20I12-V16 HydrophobicContact CG2-CG2 4.39Å; I12-V16 VanDerWaalsContact O-CG2 3.27Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 2.83Å; G14-V16 PolarHBondContact O-N 2.74Å; V16-A20 PolarHBondContact O-N 3.35Å
17S65.5Low66.9Low64 Ų64105.7 Ų105.745%0.44861%0.61SS.*Hα-helixtrans-72.8-29.5179.6-58.10000113.6Y13 G14 C15Y13-S17 WeakPolarHBondContact O-CB 3.39Å; Y13-S17 PolarHBondContact O-N 3.43Å; Y13-S17 PolarHBondContact O-OG 3.32Å; G14-S17 PolarHBondContact O-N 2.75Å; C15-S17 VanDerWaalsContact C-N 3.32Å
18I61.1Low64.9Low128 Ų128106.5 Ų106.566%0.65661%0.614SS**Hα-helixtrans-72-43.2176.6-63.1159.8000110.3G14 C15 A20 K21G14-I18 VanDerWaalsContact O-CG1 3.28Å; G14-I18 WeakPolarHBondContact O-CG1 3.43Å; G14-I18 PolarHBondContact O-N 3.33Å; C15-I18 PolarHBondContact O-N 2.7Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.72Å; I18-K21 PolarHBondContact O-N 2.85Å
19N58.1Low63.5Low130 Ų130106.7 Ų106.770%0.69563%0.625SS**Hα-helixtrans-68.9-29.5179.8-96.7-10.4000113.4C15 K21C15-N19 PolarHBondContact O-N 2.72Å; N19-K21 VanDerWaalsContact C-N 3.33Å; N19-K21 PolarHBondContact O-N 3.37Å
20A58.1Low62.2Low74 Ų74113 Ų11361%0.61265%0.646SS**Hα-helixtrans-70.5-25.9179.100000113.7V16 I18 A22V16-A20 PolarHBondContact O-N 3.35Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.72Å; A20-A22 VanDerWaalsContact C-N 3.33Å; A20-A22 PolarHBondContact O-N 2.77Å
21K52.7Low61.1Low186 Ų186117 Ų11781%0.80965%0.653SS**THydrogen-bonded Turntrans-78.1-13.4-177.7-72.8-175.3-179.6-176.20114.3I18 N19I18-K21 PolarHBondContact O-N 2.85Å; N19-K21 VanDerWaalsContact C-N 3.33Å; N19-K21 PolarHBondContact O-N 3.37Å
22A53.9Low60.7Low88 Ų88120.6 Ų120.673%0.72767%0.671SS**THydrogen-bonded Turntrans-80.6-14.1-176.800000114.4A20A20-A22 VanDerWaalsContact C-N 3.33Å; A20-A22 PolarHBondContact O-N 2.77Å
23A51.9Low60.4Low81 Ų81121.5 Ų121.567%0.66967%0.673SS**SBendtrans-94.2-9.3-165.300000116.5
24N48.3Very low60.8Low141 Ų141115.9 Ų115.975%0.75466%0.658SS**  trans-126.876.2-175.4-79.7-18000112.1V26N24-V26 HydrophobicContact CB-CG2 4.34Å; N24-V26 PolarHBondContact O-N 3.4Å
25Q50.1Low61.6Low179 Ų179117.2 Ų117.284%0.83666%0.662SS**  trans-71.285.6148.9-70.8-152.4-6.800107.6V27Q25-V27 VanDerWaalsContact C-N 3.32Å; Q25-V27 PolarHBondContact O-N 2.76Å
26V47.9Very low62.6Low119 Ų119116.2 Ų116.272%0.72165%0.647SS**  trans-63102161.61790000105.4N24 D28N24-V26 HydrophobicContact CB-CG2 4.34Å; N24-V26 PolarHBondContact O-N 3.4Å; V26-D28 PolarHBondContact O-N 3.35Å
27V53.9Low63.8Low106 Ų106113.8 Ų113.864%0.64263%0.634SS**  trans-56.7110.4168.5175.30000106.1Q25 S29Q25-V27 VanDerWaalsContact C-N 3.32Å; Q25-V27 PolarHBondContact O-N 2.76Å; V27-S29 PolarHBondContact O-N 3.42Å; V27-S29 PolarHBondContact O-OG 3.1Å; V27-S29 VanDerWaalsContact O-OG 3.1Å
28D46.2Very low65.3Low119 Ų119110.8 Ų110.864%0.63661%0.613SS**  trans-53.1102.8176.9-175.112.7000108.5V26 K30V26-D28 PolarHBondContact O-N 3.35Å; D28-K30 PolarHBondContact O-N 3.09Å
29S57.3Low66.9Low111 Ų111108.6 Ų108.678%0.77660%0.6SS**THydrogen-bonded Turntrans-75.811.7-170.2-62.50000112.7V27V27-S29 PolarHBondContact O-N 3.42Å; V27-S29 PolarHBondContact O-OG 3.1Å; V27-S29 VanDerWaalsContact O-OG 3.1Å
30K55.3Low68.8Low184 Ų184102.7 Ų102.780%0.857%0.57SS**THydrogen-bonded Turntrans-88.9-1.1-173.3-82-174.2175.3-178.60115.8D28D28-K30 PolarHBondContact O-N 3.09Å
31R61.6Low70.6Confident196 Ų196105.3 Ų105.374%0.7456%0.564SS**SBendtrans-132.3135.2168.8-64.9-176.3-177.4173.41.5110Q33R31-Q33 VanDerWaalsContact C-N 3.27Å; R31-Q33 PolarHBondContact O-N 3.42Å
32P74.6Confident72.6Confident137 Ų13796.6 Ų96.689%0.8953%0.527SS*.  trans-64.294.1169.326.7-31.1000107.8
33Q76Confident74.5Confident126 Ų12695.2 Ų95.259%0.58951%0.509SS*.  trans-70.4133.5174.1-65.7-67.2-3.700107.8R31 C35R31-Q33 VanDerWaalsContact C-N 3.27Å; R31-Q33 PolarHBondContact O-N 3.42Å; Q33-C35 PolarHBondContact O-N 2.95Å
34P87.4Confident76.3Confident59 Ų5992.4 Ų92.438%0.38348%0.482SS..  trans-61.6126.8174.426.7-32.8000108.2Y36 P85P34-Y36 HydrophobicContact CB-CE2 4.4Å; P34-P85 WeakPolarHBondContact O-CD 3.35Å
35C91Very high78.3Confident61 Ų6189.4 Ų89.441%0.41247%0.469SS..  trans-130.2148.2176.267.80000108.9Q33 C82 V83Q33-C35 PolarHBondContact O-N 2.95Å; C35-C82 HydrophobicContact CB-CB 4.2Å; C35-V83 CarbonylContact C-O 3.55Å; C35-V83 WeakPolarHBondContact CA-O 3.42Å
36Y94.3Very high80.1Confident57 Ų5787.4 Ų87.422%0.22446%0.46CS..EExtended strand (participates in β ladder)trans-126.5159.7-173.3-57.8-78.3000110.6P34 C82 V83 P85 L106 S108 G110P34-Y36 HydrophobicContact CB-CE2 4.4Å; Y36-C82 PolarHBondContact O-N 3.33Å; Y36-V83 PolarHBondContact N-O 3.39Å; Y36-V83 PolarHBondContact O-N 3.49Å; Y36-P85 HydrophobicContact CE2-CB 4.46Å; Y36-L106 HydrophobicContact CD2-CD2 4.17Å; Y36-L106 HydrophobicContact CG-CD2 4.41Å; Y36-S108 VanDerWaalsContact OH-C 3.3Å; Y36-S108 PolarHBondContact OH-O 2.85Å; Y36-G110 PolarHBondContact OH-N 3.22Å; Y36-G110 VanDerWaalsContact OH-N 3.15Å
37S94.7Very high81.9Confident43 Ų4384.9 Ų84.930%0.30145%0.451SS..EExtended strand (participates in β ladder)trans-92.9135.2171.749.90000111V80 Y130S37-V80 CarbonylContact C-O 3.59Å; S37-V80 VanDerWaalsContact CA-O 3.26Å; S37-V80 WeakPolarHBondContact CA-O 3.15Å; S37-Y130 PolarHBondContact O-OH 3.35Å
38V96Very high83.4Confident1 Ų180.2 Ų80.21%0.00642%0.423CS..EExtended strand (participates in β ladder)trans-103.9124.1169.7-1800000108.3V79 V80 V83 V90 L106 L132V38-V79 WeakPolarHBondContact O-CA 3.26Å; V38-V80 HydrophobicContact CB-CB 4.45Å; V38-V80 PolarHBondContact N-O 3.46Å; V38-V80 PolarHBondContact O-N 3.48Å; V38-V83 HydrophobicContact CG2-CB 4.3Å; V38-V83 HydrophobicContact CG2-CG2 4.04Å; V38-V90 HydrophobicContact CG1-CG2 4.41Å; V38-L106 HydrophobicContact CG2-CD1 4.08Å; V38-L106 HydrophobicContact CG2-CD2 4.18Å; V38-L132 HydrophobicContact CG1-CD1 4.14Å
39E96.3Very high85.2Confident83 Ų8380.5 Ų80.539%0.38842%0.418SS..EExtended strand (participates in β ladder)trans-117.8150-174-56.6-172.9177.300112F78 V79 Y130 P131 L132E39-F78 WeakPolarHBondContact CA-O 3.21Å; E39-V79 HydrophobicContact CG-CG1 4.06Å; E39-V79 HydrophobicContact CG-CG2 4.07Å; E39-Y130 PolarHBondContact N-OH 2.91Å; E39-P131 HydrophobicContact CB-CB 4.4Å; E39-L132 PolarHBondContact O-N 2.99Å; E39-L132 VanDerWaalsContact O-N 3.08Å
40G96.5Very high86.6Confident5 Ų579.5 Ų79.55%0.05242%0.417CS..EExtended strand (participates in β ladder)trans-170.2-176.4174.600000113.8K77 F78 L132G40-K77 CarbonylContact O-C 3.58Å; G40-K77 WeakPolarHBondContact O-CA 3.18Å; G40-F78 VanDerWaalsContact C-CD1 3.44Å; G40-F78 VanDerWaalsContact CA-CE1 3.41Å; G40-F78 VanDerWaalsContact CA-CZ 3.47Å; G40-F78 PolarHBondContact N-O 2.89Å; G40-F78 VanDerWaalsContact N-O 3.1Å; G40-F78 WeakPolarHBondContact O-CD1 3.31Å; G40-F78 PolarHBondContact O-N 3.26Å; G40-L132 CarbonylContact C-O 3.6Å; G40-L132 WeakPolarHBondContact CA-O 3.31Å
41R95.8Very high88.1Confident129 Ų12976.4 Ų76.449%0.48741%0.413SS..EExtended strand (participates in β ladder)trans-136.6137.4177.7-170.4179.8-172.7-173.70.3109.8V43 G76 K77 L132 I133 F134R41-V43 HydrophobicContact CG-CG2 4.42Å; R41-G76 CarbonylContact C-O 3.56Å; R41-G76 VanDerWaalsContact CA-O 3.32Å; R41-G76 WeakPolarHBondContact CA-O 3.01Å; R41-K77 HydrophobicContact CG-CG 4.41Å; R41-L132 PolarHBondContact N-O 2.87Å; R41-I133 WeakPolarHBondContact O-CA 3.19Å; R41-F134 PolarHBondContact O-N 2.83Å
42V95.8Very high89Confident4 Ų468.7 Ų68.72%0.02439%0.387CS..EExtended strand (participates in β ladder)trans-100.5123.6170.4-174.60000108.3W55 I72 G76 F78 V92 F99 F134V42-W55 HydrophobicContact CB-CH2 4.41Å; V42-W55 HydrophobicContact CB-CZ3 4.48Å; V42-W55 HydrophobicContact CG1-CZ3 4.39Å; V42-I72 HydrophobicContact CB-CD1 4.34Å; V42-I72 HydrophobicContact CG2-CD1 3.72Å; V42-I72 HydrophobicContact CG2-CG1 4.32Å; V42-G76 PolarHBondContact N-O 2.9Å; V42-F78 HydrophobicContact CG2-CD1 4.05Å; V42-F78 HydrophobicContact CG2-CE1 4.18Å; V42-V92 HydrophobicContact CG1-CG1 4.47Å; V42-V92 HydrophobicContact CG2-CG1 4.34Å; V42-V92 HydrophobicContact CG2-CG2 3.83Å; V42-F99 HydrophobicContact CG1-CE1 3.64Å; V42-F99 HydrophobicContact CG1-CZ 3.74Å; V42-F134 HydrophobicContact CG1-CB 4.46Å; V42-F134 HydrophobicContact CG2-CB 4.25Å
43V93.1Very high89.5Confident58 Ų5871.1 Ų71.135%0.35238%0.383SS..EExtended strand (participates in β ladder)trans-108.5116.6178.7-177.80000108.2R41 I133 F134R41-V43 HydrophobicContact CG-CG2 4.42Å; V43-I133 HydrophobicContact CG2-CG2 3.98Å; V43-F134 PolarHBondContact N-O 3.45Å
44L90.7Very high90Very high22 Ų2269.5 Ų69.512%0.11538%0.379CS..  trans-94.5150.5175.7-71.8163000110.6M48 W55 F59 F99 V136L44-M48 HydrophobicContact CD2-CB 4.34Å; L44-M48 HydrophobicContact CD2-CE 3.82Å; L44-M48 HydrophobicContact CD2-SD 4.12Å; L44-W55 HydrophobicContact CD1-CB 4.42Å; L44-W55 HydrophobicContact CD1-CD2 3.25Å; L44-W55 HydrophobicContact CD1-CE3 3.36Å; L44-W55 HydrophobicContact CD1-CG 3.75Å; L44-W55 HydrophobicContact CD1-CH2 3.82Å; L44-W55 HydrophobicContact CD1-CZ2 3.81Å; L44-W55 HydrophobicContact CD1-CZ3 3.63Å; L44-W55 HydrophobicContact CG-CE3 4.44Å; L44-W55 HydrophobicContact CG-CZ3 4.36Å; L44-F59 HydrophobicContact CD1-CZ 4.35Å; L44-F59 HydrophobicContact CD2-CE1 3.88Å; L44-F59 HydrophobicContact CD2-CZ 3.64Å; L44-F99 HydrophobicContact CD2-CZ 4.31Å; L44-V136 HydrophobicContact CD2-CG2 3.84Å
45T89.9Confident90.1Very high79 Ų7968 Ų6849%0.48537%0.365SS..  trans-68.4145.8168.2-46.20000110.3A47 M48 K49T45-A47 VanDerWaalsContact C-N 3.26Å; T45-A47 PolarHBondContact O-N 3.27Å; T45-M48 WeakPolarHBondContact O-CB 3.49Å; T45-M48 PolarHBondContact O-N 3.3Å; T45-K49 PolarHBondContact O-N 3.27Å
46E87.1Confident90Very high137 Ų13766.9 Ų66.964%0.6435%0.354SS*.Hα-helixtrans-53.7-40.1-178.9-66-57.8154.600113.4M48 K49 A50E46-M48 VanDerWaalsContact C-N 3.26Å; E46-M48 PolarHBondContact O-N 2.85Å; E46-K49 PolarHBondContact O-N 3.27Å; E46-A50 PolarHBondContact O-N 2.79Å
47A86.6Confident89.9Confident65 Ų6568.6 Ų68.654%0.53737%0.371SS..Hα-helixtrans-58.4-37.2175.900000113.1T45 T51T45-A47 VanDerWaalsContact C-N 3.26Å; T45-A47 PolarHBondContact O-N 3.27Å; A47-T51 PolarHBondContact O-N 3.24Å; A47-T51 PolarHBondContact O-OG1 3.37Å
48M84.8Confident89.7Confident9 Ų970.1 Ų70.14%0.04438%0.381CS..Hα-helixtrans-75-41.3176.9-69.8-175.470.600111.6L44 T45 E46 A50 T51 L52 A97 V136L44-M48 HydrophobicContact CD2-CB 4.34Å; L44-M48 HydrophobicContact CD2-CE 3.82Å; L44-M48 HydrophobicContact CD2-SD 4.12Å; T45-M48 WeakPolarHBondContact O-CB 3.49Å; T45-M48 PolarHBondContact O-N 3.3Å; E46-M48 VanDerWaalsContact C-N 3.26Å; E46-M48 PolarHBondContact O-N 2.85Å; M48-A50 PolarHBondContact O-N 2.93Å; M48-T51 PolarHBondContact O-N 3.08Å; M48-T51 VanDerWaalsContact O-N 3.13Å; M48-L52 HydrophobicContact CB-CD1 4.22Å; M48-L52 HydrophobicContact CE-CD1 4.35Å; M48-L52 VanDerWaalsContact O-CD1 3.25Å; M48-L52 WeakPolarHBondContact O-CD1 3.21Å; M48-L52 PolarHBondContact O-N 3.43Å; M48-A97 HydrophobicContact CE-CB 3.55Å; M48-V136 HydrophobicContact SD-CB 4.43Å; M48-V136 HydrophobicContact SD-CG1 3.89Å; M48-V136 HydrophobicContact SD-CG2 3.9Å
49K84.8Confident89.6Confident125 Ų12570.1 Ų70.154%0.54338%0.381SS..Hα-helixtrans-60.4-36.4177.8-170.6-177.9176.2-170.30111.8T45 E46T45-K49 PolarHBondContact O-N 3.27Å; E46-K49 PolarHBondContact O-N 3.27Å
50A86.3Confident89.6Confident90 Ų9071.3 Ų71.374%0.74438%0.382SS*.Hα-helixtrans-71.1-33.3175.500000113.3E46 M48E46-A50 PolarHBondContact O-N 2.79Å; M48-A50 PolarHBondContact O-N 2.93Å
51T86Confident89.6Confident118 Ų11871 Ų7172%0.72438%0.38SS*.Hα-helixtrans-82.6-37.4-175.2-53.60000112.5A47 M48A47-T51 PolarHBondContact O-N 3.24Å; A47-T51 PolarHBondContact O-OG1 3.37Å; M48-T51 PolarHBondContact O-N 3.08Å; M48-T51 VanDerWaalsContact O-N 3.13Å
52L81.6Confident89.7Confident35 Ų3566.7 Ų66.718%0.18337%0.366CS..  trans-99.6103.6-175.2-69.5105.4000111.9M48 W55 F59M48-L52 HydrophobicContact CB-CD1 4.22Å; M48-L52 HydrophobicContact CE-CD1 4.35Å; M48-L52 VanDerWaalsContact O-CD1 3.25Å; M48-L52 WeakPolarHBondContact O-CD1 3.21Å; M48-L52 PolarHBondContact O-N 3.43Å; L52-W55 HydrophobicContact CB-CB 3.7Å; L52-W55 HydrophobicContact CD2-CB 4.46Å; L52-F59 HydrophobicContact CD2-CE2 4.42Å
53K84.7Confident89.7Confident188 Ų18866.6 Ų66.682%0.81737%0.365SS*.THydrogen-bonded Turntrans-70.2137.5162.7-169.1-174.6174.9-164.40109.3W55K53-W55 PolarHBondContact O-N 3.23Å
54D87.1Confident89.8Confident92 Ų9266.4 Ų66.449%0.49236%0.362SS..THydrogen-bonded Turntrans53.338.5-179.7-60.2-47.2000114.4Q56 T57D54-Q56 PolarHBondContact O-N 2.95Å; D54-Q56 VanDerWaalsContact O-N 3.09Å; D54-Q56 PolarHBondContact OD1-NE2 3.16Å; D54-T57 PolarHBondContact O-N 2.9Å
55W88.9Confident89.9Confident27 Ų2772.5 Ų72.510%0.10239%0.385CS..Hα-helixtrans-52.7-35.7-176.468-92.6000112.6V42 L44 L52 K53 T57 S58 F59 I72V42-W55 HydrophobicContact CB-CH2 4.41Å; V42-W55 HydrophobicContact CB-CZ3 4.48Å; V42-W55 HydrophobicContact CG1-CZ3 4.39Å; L44-W55 HydrophobicContact CD1-CB 4.42Å; L44-W55 HydrophobicContact CD1-CD2 3.25Å; L44-W55 HydrophobicContact CD1-CE3 3.36Å; L44-W55 HydrophobicContact CD1-CG 3.75Å; L44-W55 HydrophobicContact CD1-CH2 3.82Å; L44-W55 HydrophobicContact CD1-CZ2 3.81Å; L44-W55 HydrophobicContact CD1-CZ3 3.63Å; L44-W55 HydrophobicContact CG-CE3 4.44Å; L44-W55 HydrophobicContact CG-CZ3 4.36Å; L52-W55 HydrophobicContact CB-CB 3.7Å; L52-W55 HydrophobicContact CD2-CB 4.46Å; K53-W55 PolarHBondContact O-N 3.23Å; W55-T57 PolarHBondContact O-N 2.85Å; W55-S58 PolarHBondContact O-N 2.9Å; W55-F59 HydrophobicContact CB-CE2 4.03Å; W55-F59 AromaticContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CE1 4.5Å; W55-F59 AromaticContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CG 4.21Å; W55-F59 HydrophobicContact CE3-CZ 4.13Å; W55-F59 WeakPolarHBondContact O-CD2 3.15Å; W55-I72 HydrophobicContact CH2-CG2 3.76Å; W55-I72 HydrophobicContact CZ3-CD1 4.21Å; W55-I72 HydrophobicContact CZ3-CG2 3.85Å
56Q90Very high90.1Very high37 Ų3770.3 Ų70.317%0.17338%0.377CS..Hα-helixtrans-54.2-31.2-176.967.8-76.2-5.200114.2D54 I72D54-Q56 PolarHBondContact O-N 2.95Å; D54-Q56 VanDerWaalsContact O-N 3.09Å; D54-Q56 PolarHBondContact OD1-NE2 3.16Å; Q56-I72 HydrophobicContact CB-CB 4.39Å; Q56-I72 HydrophobicContact CB-CG2 4.33Å
57T91Very high90.4Very high94 Ų9469.5 Ų69.558%0.57737%0.372SS*.Hα-helixtrans-74.1-30.1-177.4-50.10000112.3D54 W55 F59D54-T57 PolarHBondContact O-N 2.9Å; W55-T57 PolarHBondContact O-N 2.85Å; T57-F59 VanDerWaalsContact C-N 3.3Å
58S90.8Very high90.9Very high75 Ų7568.9 Ų68.952%0.52436%0.356SS..Hα-helixtrans-81.9-11.1-178-59.70000113W55W55-S58 PolarHBondContact O-N 2.9Å
59F94.2Very high91.4Very high1 Ų172 Ų720%0.00438%0.376CS..  trans-109140-176.6-70.3-121.4000109.1L44 L52 W55 T57 I72 V92 A93 N94 A97 F99L44-F59 HydrophobicContact CD1-CZ 4.35Å; L44-F59 HydrophobicContact CD2-CE1 3.88Å; L44-F59 HydrophobicContact CD2-CZ 3.64Å; L52-F59 HydrophobicContact CD2-CE2 4.42Å; W55-F59 HydrophobicContact CB-CE2 4.03Å; W55-F59 AromaticContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CE1 4.5Å; W55-F59 AromaticContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CG 4.21Å; W55-F59 HydrophobicContact CE3-CZ 4.13Å; W55-F59 WeakPolarHBondContact O-CD2 3.15Å; T57-F59 VanDerWaalsContact C-N 3.3Å; F59-I72 HydrophobicContact CB-CD1 3.46Å; F59-I72 VanDerWaalsContact CB-CD1 3.46Å; F59-I72 HydrophobicContact CD1-CD1 4.5Å; F59-I72 HydrophobicContact CG-CD1 4.32Å; F59-V92 HydrophobicContact CD1-CG1 3.86Å; F59-A93 WeakPolarHBondContact CA-O 3.35Å; F59-N94 HydrophobicContact CD1-CB 3.8Å; F59-N94 HydrophobicContact CD2-CB 4.47Å; F59-N94 HydrophobicContact CE1-CB 4Å; F59-N94 WeakPolarHBondContact CE1-ND2 3.14Å; F59-N94 WeakPolarHBondContact CE2-ND2 3.35Å; F59-N94 HydrophobicContact CG-CB 4.09Å; F59-N94 WeakPolarHBondContact CZ-ND2 3.39Å; F59-A97 HydrophobicContact CE1-CB 4.42Å; F59-F99 AromaticContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CZ 4.21Å; F59-F99 AromaticContact CE1-CE2 3.57Å; F59-F99 HydrophobicContact CE1-CE2 3.57Å; F59-F99 AromaticContact CE1-CZ 3.64Å; F59-F99 HydrophobicContact CE1-CZ 3.64Å
60R95.5Very high91.9Very high107 Ų10766.2 Ų66.240%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-127.3140.2176.7-62.8-66-179.9159.7-1.1109.4L62 V92 A93R60-L62 HydrophobicContact CB-CD2 4.27Å; R60-V92 CarbonylContact O-C 3.53Å; R60-A93 HydrophobicContact CB-CB 4.49Å; R60-A93 PolarHBondContact N-O 3.24Å; R60-A93 PolarHBondContact O-N 2.86Å
61I97Very high92.4Very high0 Ų067.2 Ų67.20%034%0.343CS..EExtended strand (participates in β ladder)trans-89123.4166.6-55.5103.1000107.1V69 G70 I72 F78 V80 V90 E91I61-V69 CarbonylContact O-C 3.57Å; I61-V69 WeakPolarHBondContact O-CA 3.32Å; I61-G70 VanDerWaalsContact CD1-C 3.5Å; I61-G70 WeakPolarHBondContact CD1-O 3.38Å; I61-G70 PolarHBondContact N-O 3.42Å; I61-G70 PolarHBondContact O-N 3.06Å; I61-I72 HydrophobicContact CD1-CD1 4.31Å; I61-I72 HydrophobicContact CD1-CG1 3.4Å; I61-I72 VanDerWaalsContact CD1-CG1 3.4Å; I61-I72 HydrophobicContact CG1-CG1 4.12Å; I61-F78 HydrophobicContact CB-CD2 4.33Å; I61-F78 HydrophobicContact CD1-CB 3.26Å; I61-F78 HydrophobicContact CD1-CD1 4.05Å; I61-F78 HydrophobicContact CD1-CD2 3.63Å; I61-F78 HydrophobicContact CD1-CG 3.37Å; I61-F78 HydrophobicContact CG1-CB 4.1Å; I61-F78 HydrophobicContact CG1-CD1 3.96Å; I61-F78 HydrophobicContact CG1-CD2 3.65Å; I61-F78 HydrophobicContact CG1-CE1 4.31Å; I61-F78 HydrophobicContact CG1-CE2 4.04Å; I61-F78 HydrophobicContact CG1-CG 3.62Å; I61-F78 HydrophobicContact CG1-CZ 4.36Å; I61-F78 HydrophobicContact CG2-CD2 4.18Å; I61-F78 HydrophobicContact CG2-CE2 3.91Å; I61-F78 HydrophobicContact CG2-CZ 4.41Å; I61-V80 HydrophobicContact CB-CG2 4.45Å; I61-V80 HydrophobicContact CG2-CG2 4.06Å; I61-V90 HydrophobicContact CG2-CG1 3.68Å; I61-E91 WeakPolarHBondContact CA-O 3.29Å
62L97.1Very high92.8Very high38 Ų3862.1 Ų62.120%0.19931%0.312CS..EExtended strand (participates in β ladder)trans-106.1128.5173.3-51.7179.8000108.1R60 V69 V90 E91 A93R60-L62 HydrophobicContact CB-CD2 4.27Å; L62-V69 HydrophobicContact CD2-CG1 4.46Å; L62-V69 HydrophobicContact CD2-CG2 4.15Å; L62-V90 WeakPolarHBondContact O-CA 3.38Å; L62-E91 HydrophobicContact CB-CG 3.76Å; L62-E91 HydrophobicContact CD1-CG 4.45Å; L62-E91 HydrophobicContact CG-CG 4.47Å; L62-E91 PolarHBondContact N-O 3.38Å; L62-E91 PolarHBondContact O-N 3.48Å; L62-A93 HydrophobicContact CD1-CB 3.58Å; L62-A93 HydrophobicContact CG-CB 3.84Å
63V96.8Very high93.4Very high1 Ų166.8 Ų66.81%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-108.6122.9168.9-1760000107G66 K67 Y68 V80 Y88 V89 V90V63-G66 PolarHBondContact O-N 3.5Å; V63-K67 PolarHBondContact O-N 2.96Å; V63-K67 VanDerWaalsContact O-N 3.1Å; V63-Y68 HydrophobicContact CB-CD2 4.21Å; V63-Y68 HydrophobicContact CG1-CD2 4.04Å; V63-Y68 PolarHBondContact N-O 2.99Å; V63-Y68 PolarHBondContact O-N 2.85Å; V63-Y68 VanDerWaalsContact O-N 3.14Å; V63-V80 HydrophobicContact CG2-CB 4.28Å; V63-V80 HydrophobicContact CG2-CG1 3.96Å; V63-V80 HydrophobicContact CG2-CG2 3.9Å; V63-Y88 HydrophobicContact CG1-CD1 4.45Å; V63-Y88 HydrophobicContact CG1-CD2 4.48Å; V63-Y88 HydrophobicContact CG1-CG 3.93Å; V63-V89 CarbonylContact C-O 3.58Å; V63-V89 WeakPolarHBondContact CA-O 3.22Å; V63-V90 HydrophobicContact CG1-CG2 4.38Å; V63-V90 HydrophobicContact CG2-CG1 4.48Å; V63-V90 HydrophobicContact CG2-CG2 4.27Å
64D94.3Very high93.7Very high55 Ų5562.3 Ų62.329%0.29432%0.317SS..THydrogen-bonded Turntrans54.258.4-179.2-158.927000111.6G66 K67 Y88 V89D64-G66 PolarHBondContact O-N 3.38Å; D64-G66 VanDerWaalsContact O-N 3.09Å; D64-K67 HydrophobicContact CB-CB 4.06Å; D64-K67 PolarHBondContact O-N 3.26Å; D64-Y88 HydrophobicContact CB-CD1 3.74Å; D64-V89 PolarHBondContact N-O 2.92Å
65Y93.5Very high93.9Very high150 Ų15063.3 Ų63.359%0.58832%0.322SS*.THydrogen-bonded Turntrans56.327.4178.4-50.1-75.4000114.8
66G93.5Very high94.1Very high32 Ų3262.1 Ų62.133%0.3332%0.318SS..THydrogen-bonded Turntrans102.49176.200000114.9V63 D64 Y68V63-G66 PolarHBondContact O-N 3.5Å; D64-G66 PolarHBondContact O-N 3.38Å; D64-G66 VanDerWaalsContact O-N 3.09Å; G66-Y68 PolarHBondContact O-N 3.24Å
67K94.8Very high94.3Very high121 Ų12165.9 Ų65.953%0.52633%0.334SS..THydrogen-bonded Turntrans-57.8-40168.5-175.3175.6179169.20112.1V63 D64V63-K67 PolarHBondContact O-N 2.96Å; V63-K67 VanDerWaalsContact O-N 3.1Å; D64-K67 HydrophobicContact CB-CB 4.06Å; D64-K67 PolarHBondContact O-N 3.26Å
68Y95.9Very high94.6Very high52 Ų5261.4 Ų61.420%0.20431%0.306CS..EExtended strand (participates in β ladder)trans-123.8141.8165.2-46.3-95.7000109.3V63 G66 C82 V83 Y88V63-Y68 HydrophobicContact CB-CD2 4.21Å; V63-Y68 HydrophobicContact CG1-CD2 4.04Å; V63-Y68 PolarHBondContact N-O 2.99Å; V63-Y68 PolarHBondContact O-N 2.85Å; V63-Y68 VanDerWaalsContact O-N 3.14Å; G66-Y68 PolarHBondContact O-N 3.24Å; Y68-C82 WeakPolarHBondContact CE1-O 3.37Å; Y68-V83 HydrophobicContact CD2-CG1 4.33Å; Y68-V83 HydrophobicContact CE2-CG1 4.15Å; Y68-V83 HydrophobicContact CG-CG2 4.38Å; Y68-Y88 HydrophobicContact CE2-CE1 4.36Å
69V96.2Very high94.9Very high75 Ų7559 Ų5946%0.45529%0.289SS..EExtended strand (participates in β ladder)trans-122.8126.6-178.7-178.60000109.2I61 L62I61-V69 CarbonylContact O-C 3.57Å; I61-V69 WeakPolarHBondContact O-CA 3.32Å; L62-V69 HydrophobicContact CD2-CG1 4.46Å; L62-V69 HydrophobicContact CD2-CG2 4.15Å
70G95.2Very high95Very high2 Ų259.1 Ų59.12%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-105.4153172.900000112.2I61I61-G70 VanDerWaalsContact CD1-C 3.5Å; I61-G70 WeakPolarHBondContact CD1-O 3.38Å; I61-G70 PolarHBondContact N-O 3.42Å; I61-G70 PolarHBondContact O-N 3.06Å
71L95.4Very high94.9Very high112 Ų11259.8 Ų59.859%0.58630%0.297SS*.EExtended strand (participates in β ladder)trans-108.2146.3171.3-71.982000109.9F78L71-F78 WeakPolarHBondContact O-CB 3.12Å
72I95.6Very high94.7Very high11 Ų1163.7 Ų63.76%0.05632%0.323CS..BIsolated β-bridgetrans-91.1137177.5-60.7170.6000109.1V42 W55 Q56 F59 I61 F78 V92V42-I72 HydrophobicContact CB-CD1 4.34Å; V42-I72 HydrophobicContact CG2-CD1 3.72Å; V42-I72 HydrophobicContact CG2-CG1 4.32Å; W55-I72 HydrophobicContact CH2-CG2 3.76Å; W55-I72 HydrophobicContact CZ3-CD1 4.21Å; W55-I72 HydrophobicContact CZ3-CG2 3.85Å; Q56-I72 HydrophobicContact CB-CB 4.39Å; Q56-I72 HydrophobicContact CB-CG2 4.33Å; F59-I72 HydrophobicContact CB-CD1 3.46Å; F59-I72 VanDerWaalsContact CB-CD1 3.46Å; F59-I72 HydrophobicContact CD1-CD1 4.5Å; F59-I72 HydrophobicContact CG-CD1 4.32Å; I61-I72 HydrophobicContact CD1-CD1 4.31Å; I61-I72 HydrophobicContact CD1-CG1 3.4Å; I61-I72 VanDerWaalsContact CD1-CG1 3.4Å; I61-I72 HydrophobicContact CG1-CG1 4.12Å; I72-F78 HydrophobicContact CG1-CB 4.27Å; I72-V92 HydrophobicContact CD1-CG1 4.42Å
73R94.2Very high94.6Very high132 Ų13261.9 Ų61.950%0.49831%0.314SS..  trans-81.1159.9173-63.2-177.9-175.8178.52.8110.4D75 G76 K77R73-D75 PolarHBondContact O-N 3.4Å; R73-D75 VanDerWaalsContact O-N 3.1Å; R73-G76 WeakPolarHBondContact O-CA 3.02Å; R73-G76 PolarHBondContact O-N 2.92Å; R73-K77 VanDerWaalsContact CB-O 3.27Å; R73-K77 WeakPolarHBondContact CB-O 3.22Å; R73-K77 WeakPolarHBondContact CG-O 3.42Å; R73-K77 PolarHBondContact N-O 3.44Å
74P90.7Very high94.5Very high95 Ų9563.3 Ų63.362%0.61733%0.325SS*.THydrogen-bonded Turntrans-55.8-28.9177.221.6-34.6000114G76P74-G76 PolarHBondContact O-N 2.83Å
75D90.8Very high94.6Very high113 Ų11363.1 Ų63.160%0.60433%0.327SS*.THydrogen-bonded Turntrans-71.7-5.2175.6-54.7-23.4000113.9R73 K77R73-D75 PolarHBondContact O-N 3.4Å; R73-D75 VanDerWaalsContact O-N 3.1Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.2Å
76G92.8Very high94.6Very high1 Ų157.2 Ų57.21%0.0131%0.312CS..SBendtrans79.61-172.700000114.7R41 V42 R73 P74R41-G76 CarbonylContact C-O 3.56Å; R41-G76 VanDerWaalsContact CA-O 3.32Å; R41-G76 WeakPolarHBondContact CA-O 3.01Å; V42-G76 PolarHBondContact N-O 2.9Å; R73-G76 WeakPolarHBondContact O-CA 3.02Å; R73-G76 PolarHBondContact O-N 2.92Å; P74-G76 PolarHBondContact O-N 2.83Å
77K96.1Very high94.7Very high116 Ų11658.1 Ų58.150%0.50431%0.313SS..EExtended strand (participates in β ladder)trans-77.9150.6173.1-67.8-177.8-179.5177.70110.8G40 R41 R73 D75G40-K77 CarbonylContact O-C 3.58Å; G40-K77 WeakPolarHBondContact O-CA 3.18Å; R41-K77 HydrophobicContact CG-CG 4.41Å; R73-K77 VanDerWaalsContact CB-O 3.27Å; R73-K77 WeakPolarHBondContact CB-O 3.22Å; R73-K77 WeakPolarHBondContact CG-O 3.42Å; R73-K77 PolarHBondContact N-O 3.44Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.2Å
78F96.3Very high94.8Very high1 Ų153.4 Ų53.40%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-142.7156173.571.1-94000111.8E39 G40 V42 I61 L71 I72 V80 L132 F134E39-F78 WeakPolarHBondContact CA-O 3.21Å; G40-F78 VanDerWaalsContact C-CD1 3.44Å; G40-F78 VanDerWaalsContact CA-CE1 3.41Å; G40-F78 VanDerWaalsContact CA-CZ 3.47Å; G40-F78 PolarHBondContact N-O 2.89Å; G40-F78 VanDerWaalsContact N-O 3.1Å; G40-F78 WeakPolarHBondContact O-CD1 3.31Å; G40-F78 PolarHBondContact O-N 3.26Å; V42-F78 HydrophobicContact CG2-CD1 4.05Å; V42-F78 HydrophobicContact CG2-CE1 4.18Å; I61-F78 HydrophobicContact CB-CD2 4.33Å; I61-F78 HydrophobicContact CD1-CB 3.26Å; I61-F78 HydrophobicContact CD1-CD1 4.05Å; I61-F78 HydrophobicContact CD1-CD2 3.63Å; I61-F78 HydrophobicContact CD1-CG 3.37Å; I61-F78 HydrophobicContact CG1-CB 4.1Å; I61-F78 HydrophobicContact CG1-CD1 3.96Å; I61-F78 HydrophobicContact CG1-CD2 3.65Å; I61-F78 HydrophobicContact CG1-CE1 4.31Å; I61-F78 HydrophobicContact CG1-CE2 4.04Å; I61-F78 HydrophobicContact CG1-CG 3.62Å; I61-F78 HydrophobicContact CG1-CZ 4.36Å; I61-F78 HydrophobicContact CG2-CD2 4.18Å; I61-F78 HydrophobicContact CG2-CE2 3.91Å; I61-F78 HydrophobicContact CG2-CZ 4.41Å; L71-F78 WeakPolarHBondContact O-CB 3.12Å; I72-F78 HydrophobicContact CG1-CB 4.27Å; F78-V80 HydrophobicContact CD2-CG2 4.31Å; F78-V80 HydrophobicContact CE2-CG2 4.5Å; F78-L132 HydrophobicContact CZ-CB 4.45Å; F78-L132 HydrophobicContact CZ-CD1 4.41Å; F78-F134 AromaticContact CE1-CD2 3.86Å; F78-F134 HydrophobicContact CE1-CD2 3.86Å; F78-F134 AromaticContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CZ-CD2 4.1Å; F78-F134 AromaticContact CZ-CE2 3.7Å; F78-F134 HydrophobicContact CZ-CE2 3.7Å
79V96.2Very high94.8Very high25 Ų2551.8 Ų51.815%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-139.3126.2175.4-173.90000108.2V38 E39 H81V38-V79 WeakPolarHBondContact O-CA 3.26Å; E39-V79 HydrophobicContact CG-CG1 4.06Å; E39-V79 HydrophobicContact CG-CG2 4.07Å; V79-H81 WeakPolarHBondContact CG1-CE1 3.25Å
80V96.1Very high94.8Very high3 Ų348.3 Ų48.32%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-101.7113.9169.2-172.10000107.2S37 V38 I61 V63 F78 V83S37-V80 CarbonylContact C-O 3.59Å; S37-V80 VanDerWaalsContact CA-O 3.26Å; S37-V80 WeakPolarHBondContact CA-O 3.15Å; V38-V80 HydrophobicContact CB-CB 4.45Å; V38-V80 PolarHBondContact N-O 3.46Å; V38-V80 PolarHBondContact O-N 3.48Å; I61-V80 HydrophobicContact CB-CG2 4.45Å; I61-V80 HydrophobicContact CG2-CG2 4.06Å; V63-V80 HydrophobicContact CG2-CB 4.28Å; V63-V80 HydrophobicContact CG2-CG1 3.96Å; V63-V80 HydrophobicContact CG2-CG2 3.9Å; F78-V80 HydrophobicContact CD2-CG2 4.31Å; F78-V80 HydrophobicContact CE2-CG2 4.5Å; V80-V83 HydrophobicContact CB-CG2 4.26Å; V80-V83 HydrophobicContact CG1-CG2 3.75Å
81H94.5Very high94.9Very high120 Ų12050.6 Ų50.656%0.55628%0.277SS*.EExtended strand (participates in β ladder)trans-86.9158.5-178.6-62.2-73.1000111.7V79 V83V79-H81 WeakPolarHBondContact CG1-CE1 3.25Å; H81-V83 PolarHBondContact O-N 2.71Å
82C93Very high94.9Very high82 Ų8245.7 Ų45.755%0.55425%0.252SS*.EExtended strand (participates in β ladder)trans57.441.6170.4-59.30000115.4C35 Y36 Y68C35-C82 HydrophobicContact CB-CB 4.2Å; Y36-C82 PolarHBondContact O-N 3.33Å; Y68-C82 WeakPolarHBondContact CE1-O 3.37Å
83V95Very high94.9Very high0 Ų046.9 Ų46.90%026%0.263CS..EExtended strand (participates in β ladder)trans-83.4124.7172.8-172.60000109.2C35 Y36 V38 Y68 V80 H81 Y88 L106C35-V83 CarbonylContact C-O 3.55Å; C35-V83 WeakPolarHBondContact CA-O 3.42Å; Y36-V83 PolarHBondContact N-O 3.39Å; Y36-V83 PolarHBondContact O-N 3.49Å; V38-V83 HydrophobicContact CG2-CB 4.3Å; V38-V83 HydrophobicContact CG2-CG2 4.04Å; Y68-V83 HydrophobicContact CD2-CG1 4.33Å; Y68-V83 HydrophobicContact CE2-CG1 4.15Å; Y68-V83 HydrophobicContact CG-CG2 4.38Å; V80-V83 HydrophobicContact CB-CG2 4.26Å; V80-V83 HydrophobicContact CG1-CG2 3.75Å; H81-V83 PolarHBondContact O-N 2.71Å; V83-Y88 HydrophobicContact CG1-CD2 3.73Å; V83-Y88 HydrophobicContact CG1-CE2 3.55Å; V83-L106 HydrophobicContact CB-CD2 4.07Å; V83-L106 HydrophobicContact CG1-CD2 3.97Å
84A94.7Very high94.8Very high31 Ų3141.8 Ų41.826%0.25625%0.245SC..PPolyproline II helixtrans-64159.517700000111.4G86 Y88A84-G86 PolarHBondContact O-N 3.19Å; A84-Y88 VanDerWaalsContact O-CE2 3.26Å; A84-Y88 WeakPolarHBondContact O-CE2 3.24Å; A84-Y88 PolarHBondContact O-OH 3.05Å
85P95.1Very high94.8Very high51 Ų5139.9 Ų39.933%0.33124%0.238SC..SBendtrans-63.8130.9171.626.6-35000110.4P34 Y36P34-P85 WeakPolarHBondContact O-CD 3.35Å; Y36-P85 HydrophobicContact CE2-CB 4.46Å
86G94.8Very high94.8Very high26 Ų2639 Ų3927%0.26823%0.233SC..EExtended strand (participates in β ladder)trans168.5-179.9-172.100000112.1A84 L106A84-G86 PolarHBondContact O-N 3.19Å; G86-L106 PolarHBondContact N-O 3.04Å; G86-L106 PolarHBondContact O-N 3.11Å
87S94.8Very high94.7Very high51 Ų5139.1 Ų39.136%0.35723%0.234SC..EExtended strand (participates in β ladder)trans-111.5118.9175.5-173.10000108.1R103 V104 D105S87-R103 PolarHBondContact OG-NE 2.9Å; S87-R103 PolarHBondContact OG-NH2 3.46Å; S87-V104 WeakPolarHBondContact CA-O 3.45Å; S87-D105 VanDerWaalsContact CB-OD1 3.28Å; S87-D105 WeakPolarHBondContact CB-OD1 3.31Å; S87-D105 PolarHBondContact OG-OD1 2.98Å
88Y96.3Very high94.6Very high23 Ų2337.3 Ų37.39%0.0923%0.229CC..EExtended strand (participates in β ladder)trans-127.6152.1-174.6-56.6-72.6000111.5V63 D64 Y68 V83 A84 R103 V104 L106V63-Y88 HydrophobicContact CG1-CD1 4.45Å; V63-Y88 HydrophobicContact CG1-CD2 4.48Å; V63-Y88 HydrophobicContact CG1-CG 3.93Å; D64-Y88 HydrophobicContact CB-CD1 3.74Å; Y68-Y88 HydrophobicContact CE2-CE1 4.36Å; V83-Y88 HydrophobicContact CG1-CD2 3.73Å; V83-Y88 HydrophobicContact CG1-CE2 3.55Å; A84-Y88 VanDerWaalsContact O-CE2 3.26Å; A84-Y88 WeakPolarHBondContact O-CE2 3.24Å; A84-Y88 PolarHBondContact O-OH 3.05Å; Y88-R103 CarbonylContact O-C 3.59Å; Y88-R103 WeakPolarHBondContact O-CA 3.07Å; Y88-V104 PolarHBondContact N-O 2.89Å; Y88-V104 PolarHBondContact O-N 3.44Å; Y88-L106 HydrophobicContact CD2-CD1 4.22Å
89V96.6Very high94.6Very high18 Ų1838.3 Ų38.311%0.10923%0.233CC..EExtended strand (participates in β ladder)trans-89.7127.6167.3173.50000108.2V63 D64 A101 F102 L117V63-V89 CarbonylContact C-O 3.58Å; V63-V89 WeakPolarHBondContact CA-O 3.22Å; D64-V89 PolarHBondContact N-O 2.92Å; V89-A101 HydrophobicContact CG1-CB 4.19Å; V89-F102 CarbonylContact C-O 3.59Å; V89-L117 HydrophobicContact CB-CD2 4.21Å; V89-L117 HydrophobicContact CG1-CD2 3.46Å; V89-L117 VanDerWaalsContact CG1-CD2 3.46Å; V89-L117 HydrophobicContact CG2-CD1 4.15Å; V89-L117 HydrophobicContact CG2-CD2 3.68Å
90V97.2Very high94.4Very high1 Ų140.3 Ų40.31%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-111.6122.4174.9-173.20000108V38 I61 L62 V63 F102 V104 L132 F134V38-V90 HydrophobicContact CG1-CG2 4.41Å; I61-V90 HydrophobicContact CG2-CG1 3.68Å; L62-V90 WeakPolarHBondContact O-CA 3.38Å; V63-V90 HydrophobicContact CG1-CG2 4.38Å; V63-V90 HydrophobicContact CG2-CG1 4.48Å; V63-V90 HydrophobicContact CG2-CG2 4.27Å; V90-F102 PolarHBondContact N-O 3.15Å; V90-F102 PolarHBondContact O-N 3.34Å; V90-V104 HydrophobicContact CB-CG2 4.3Å; V90-V104 HydrophobicContact CG2-CB 4.21Å; V90-V104 HydrophobicContact CG2-CG2 3.54Å; V90-L132 HydrophobicContact CB-CD1 4.1Å; V90-L132 HydrophobicContact CG1-CD1 3.96Å; V90-L132 HydrophobicContact CG2-CD1 4.33Å; V90-F134 HydrophobicContact CB-CZ 4.27Å; V90-F134 HydrophobicContact CG1-CE2 4.24Å; V90-F134 HydrophobicContact CG1-CZ 3.83Å; V90-F134 WeakPolarHBondContact O-CZ 3.45Å
91E95.7Very high94.4Very high50 Ų5040.9 Ų40.923%0.23425%0.246CC..EExtended strand (participates in β ladder)trans-132.3153.6-179.364.1-174.3175.400110.9I61 L62 A101I61-E91 WeakPolarHBondContact CA-O 3.29Å; L62-E91 HydrophobicContact CB-CG 3.76Å; L62-E91 HydrophobicContact CD1-CG 4.45Å; L62-E91 HydrophobicContact CG-CG 4.47Å; L62-E91 PolarHBondContact N-O 3.38Å; L62-E91 PolarHBondContact O-N 3.48Å; E91-A101 HydrophobicContact CB-CB 4.21Å
92V96.5Very high94.5Very high10 Ų1035.9 Ų35.96%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-104.5109.9174.1178.30000107.5V42 F59 R60 I72 F99 F134V42-V92 HydrophobicContact CG1-CG1 4.47Å; V42-V92 HydrophobicContact CG2-CG1 4.34Å; V42-V92 HydrophobicContact CG2-CG2 3.83Å; F59-V92 HydrophobicContact CD1-CG1 3.86Å; R60-V92 CarbonylContact O-C 3.53Å; I72-V92 HydrophobicContact CD1-CG1 4.42Å; V92-F99 HydrophobicContact CB-CB 4.14Å; V92-F99 HydrophobicContact CB-CD2 3.73Å; V92-F99 HydrophobicContact CB-CE2 4.29Å; V92-F99 HydrophobicContact CB-CG 3.88Å; V92-F99 HydrophobicContact CG1-CD2 3.68Å; V92-F99 HydrophobicContact CG1-CE2 3.73Å; V92-F99 HydrophobicContact CG1-CG 4.22Å; V92-F99 HydrophobicContact CG1-CZ 4.31Å; V92-F134 HydrophobicContact CB-CD1 4.39Å; V92-F134 HydrophobicContact CG2-CB 3.98Å; V92-F134 HydrophobicContact CG2-CD1 3.58Å; V92-F134 HydrophobicContact CG2-CD2 3.78Å; V92-F134 HydrophobicContact CG2-CE1 3.9Å; V92-F134 HydrophobicContact CG2-CE2 4.12Å; V92-F134 HydrophobicContact CG2-CG 3.49Å; V92-F134 VanDerWaalsContact CG2-CG 3.49Å; V92-F134 HydrophobicContact CG2-CZ 4.16Å
93A94.6Very high94.6Very high35 Ų3536.9 Ų36.929%0.28922%0.215SC..EExtended strand (participates in β ladder)trans-86.6125178.500000110.6F59 R60 L62F59-A93 WeakPolarHBondContact CA-O 3.35Å; R60-A93 HydrophobicContact CB-CB 4.49Å; R60-A93 PolarHBondContact N-O 3.24Å; R60-A93 PolarHBondContact O-N 2.86Å; L62-A93 HydrophobicContact CD1-CB 3.58Å; L62-A93 HydrophobicContact CG-CB 3.84Å
94N93.7Very high94.7Very high25 Ų2536.9 Ų36.913%0.13422%0.215CC..  trans-151.7146.7170-179.90.4000108.4F59 N96 A97F59-N94 HydrophobicContact CD1-CB 3.8Å; F59-N94 HydrophobicContact CD2-CB 4.47Å; F59-N94 HydrophobicContact CE1-CB 4Å; F59-N94 WeakPolarHBondContact CE1-ND2 3.14Å; F59-N94 WeakPolarHBondContact CE2-ND2 3.35Å; F59-N94 HydrophobicContact CG-CB 4.09Å; F59-N94 WeakPolarHBondContact CZ-ND2 3.39Å; N94-N96 PolarHBondContact OD1-N 3.08Å; N94-A97 HydrophobicContact CB-CB 4.45Å
95A90.6Very high94.7Very high56 Ų5636.8 Ų36.846%0.46321%0.21SC..SBendtrans-66.1-39.2170.800000112.6A140 Y142A95-A140 WeakPolarHBondContact O-CB 3.48Å; A95-Y142 WeakPolarHBondContact O-CE2 3.16Å; A95-Y142 PolarHBondContact O-OH 3.23Å
96N89.7Confident94.8Very high94 Ų9434.8 Ų34.850%0.50320%0.197SC..SBendtrans-93.8-16.2-168.4-65.9-11.5000114.2N94 Q139 A140N94-N96 PolarHBondContact OD1-N 3.08Å; N96-Q139 WeakPolarHBondContact O-CA 3.47Å; N96-A140 PolarHBondContact O-N 3.36Å
97A91.2Very high94.8Very high3 Ų336 Ų363%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-134.3137-168.600000111.7M48 F59 N94 F99M48-A97 HydrophobicContact CE-CB 3.55Å; F59-A97 HydrophobicContact CE1-CB 4.42Å; N94-A97 HydrophobicContact CB-CB 4.45Å; A97-F99 HydrophobicContact CB-CD2 4.48Å; A97-F99 HydrophobicContact CB-CE2 3.73Å; A97-F99 HydrophobicContact CB-CZ 4.25Å
98I94Very high94.6Very high78 Ų7837.6 Ų37.640%0.421%0.21SC..EExtended strand (participates in β ladder)trans-104.4128.6178.3-60164000108.7K137 S138 A140I98-K137 PolarHBondContact O-N 2.84Å; I98-S138 PolarHBondContact N-O 3.07Å; I98-A140 HydrophobicContact CD1-CB 4.26Å; I98-A140 HydrophobicContact CG1-CB 4.17Å
99F95.3Very high94.4Very high22 Ų2245.4 Ų45.410%0.09624%0.244CC..EExtended strand (participates in β ladder)trans-113.6154.9177.5-68.3-86.1000111.3V42 L44 F59 V92 A97 F134 V135 V136V42-F99 HydrophobicContact CG1-CE1 3.64Å; V42-F99 HydrophobicContact CG1-CZ 3.74Å; L44-F99 HydrophobicContact CD2-CZ 4.31Å; F59-F99 AromaticContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CZ 4.21Å; F59-F99 AromaticContact CE1-CE2 3.57Å; F59-F99 HydrophobicContact CE1-CE2 3.57Å; F59-F99 AromaticContact CE1-CZ 3.64Å; F59-F99 HydrophobicContact CE1-CZ 3.64Å; V92-F99 HydrophobicContact CB-CB 4.14Å; V92-F99 HydrophobicContact CB-CD2 3.73Å; V92-F99 HydrophobicContact CB-CE2 4.29Å; V92-F99 HydrophobicContact CB-CG 3.88Å; V92-F99 HydrophobicContact CG1-CD2 3.68Å; V92-F99 HydrophobicContact CG1-CE2 3.73Å; V92-F99 HydrophobicContact CG1-CG 4.22Å; V92-F99 HydrophobicContact CG1-CZ 4.31Å; A97-F99 HydrophobicContact CB-CD2 4.48Å; A97-F99 HydrophobicContact CB-CE2 3.73Å; A97-F99 HydrophobicContact CB-CZ 4.25Å; F99-F134 HydrophobicContact CB-CD1 4.25Å; F99-F134 HydrophobicContact CD1-CB 3.94Å; F99-F134 HydrophobicContact CE1-CB 4.46Å; F99-V135 WeakPolarHBondContact CD1-O 3.4Å; F99-V136 HydrophobicContact CD1-CG2 4.46Å; F99-V136 HydrophobicContact CE1-CB 4.25Å; F99-V136 HydrophobicContact CE1-CG2 3.51Å; F99-V136 HydrophobicContact CZ-CG2 3.6Å
100E93.6Very high94.1Very high68 Ų6845.9 Ų45.932%0.31825%0.253SS..  trans-76.1130.5167.4-173.2174.6-178.800109.5R116 F134E100-R116 WeakPolarHBondContact OE1-CD 3.44Å; E100-R116 WeakPolarHBondContact OE1-CG 2.98Å; E100-R116 IonicContact OE1-NE 2.65Å; E100-R116 IonicContact OE1-NH1 3.94Å; E100-R116 IonicContact OE2-CZ 3.91Å; E100-R116 IonicContact OE2-NH1 3.65Å; E100-F134 WeakPolarHBondContact O-CD1 3.3Å; E100-F134 WeakPolarHBondContact O-CE1 3.49Å
101A95.6Very high94Very high15 Ų1551.5 Ų51.512%0.12428%0.277CS..  trans-81.5147.3176.400000111.1V89 E91 L117V89-A101 HydrophobicContact CG1-CB 4.19Å; E91-A101 HydrophobicContact CB-CB 4.21Å; A101-L117 HydrophobicContact CB-CB 4.2Å; A101-L117 HydrophobicContact CB-CD2 3.83Å; A101-L117 VanDerWaalsContact O-CB 3.26Å; A101-L117 WeakPolarHBondContact O-CB 3.33Å; A101-L117 PolarHBondContact O-N 3.47Å; A101-L117 VanDerWaalsContact O-N 3.08Å
102F96.5Very high94Very high14 Ų1451 Ų516%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-115.2145.1175.4-69-82.1000110.5V89 V90 R115 R116 A128 L132 I133 F134V89-F102 CarbonylContact C-O 3.59Å; V90-F102 PolarHBondContact N-O 3.15Å; V90-F102 PolarHBondContact O-N 3.34Å; F102-R115 CarbonylContact C-O 3.6Å; F102-R115 WeakPolarHBondContact CA-O 2.88Å; F102-R116 HydrophobicContact CD1-CG 4.11Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; F102-A128 HydrophobicContact CD1-CB 3.64Å; F102-A128 HydrophobicContact CE1-CB 3.58Å; F102-L132 HydrophobicContact CB-CD2 3.93Å; F102-L132 HydrophobicContact CD2-CD2 4.4Å; F102-L132 HydrophobicContact CG-CD2 4.05Å; F102-I133 WeakPolarHBondContact CE2-O 3.06Å; F102-F134 AromaticContact CD2-CD1 3.92Å; F102-F134 HydrophobicContact CD2-CD1 3.92Å; F102-F134 AromaticContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE1 3.49Å; F102-F134 VanDerWaalsContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE2 4.15Å; F102-F134 HydrophobicContact CD2-CG 4.46Å; F102-F134 AromaticContact CD2-CZ 3.62Å; F102-F134 HydrophobicContact CD2-CZ 3.62Å; F102-F134 AromaticContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CE1 4Å; F102-F134 HydrophobicContact CE2-CG 4.29Å; F102-F134 HydrophobicContact CE2-CZ 4.36Å
103R95.8Very high94Very high104 Ų10456.4 Ų56.439%0.39230%0.295SS..EExtended strand (participates in β ladder)trans-94.8126.3167.5-174173.6176.1159.84.4108.9S87 Y88 D105 A114 R115 L117S87-R103 PolarHBondContact OG-NE 2.9Å; S87-R103 PolarHBondContact OG-NH2 3.46Å; Y88-R103 CarbonylContact O-C 3.59Å; Y88-R103 WeakPolarHBondContact O-CA 3.07Å; R103-D105 IonicContact NE-OD1 3.52Å; R103-A114 CarbonylContact O-C 3.56Å; R103-A114 WeakPolarHBondContact O-CA 3.33Å; R103-R115 PolarHBondContact N-O 3.27Å; R103-R115 PolarHBondContact O-N 3.49Å; R103-L117 HydrophobicContact CB-CD1 4.27Å
104V96.3Very high94.1Very high0 Ų055.1 Ų55.10%028%0.284CS..EExtended strand (participates in β ladder)trans-116.3121.8178.7-170.30000109.2S87 Y88 V90 L106 I112 R113 L132S87-V104 WeakPolarHBondContact CA-O 3.45Å; Y88-V104 PolarHBondContact N-O 2.89Å; Y88-V104 PolarHBondContact O-N 3.44Å; V90-V104 HydrophobicContact CB-CG2 4.3Å; V90-V104 HydrophobicContact CG2-CB 4.21Å; V90-V104 HydrophobicContact CG2-CG2 3.54Å; V104-L106 HydrophobicContact CB-CD1 4.23Å; V104-L106 HydrophobicContact CG1-CD1 3.58Å; V104-I112 HydrophobicContact CG1-CG2 3.48Å; V104-I112 VanDerWaalsContact CG1-CG2 3.48Å; V104-R113 CarbonylContact C-O 3.37Å; V104-R113 WeakPolarHBondContact CA-O 3.21Å; V104-L132 HydrophobicContact CG2-CD1 3.79Å; V104-L132 HydrophobicContact CG2-CD2 4.11Å; V104-L132 HydrophobicContact CG2-CG 4.42Å
105D95.7Very high94.1Very high28 Ų2857.2 Ų57.215%0.1529%0.29CS..EExtended strand (participates in β ladder)trans-101.3118.1174.9-61.7-24.4000109.6S87 R103 I112 R113 R115S87-D105 VanDerWaalsContact CB-OD1 3.28Å; S87-D105 WeakPolarHBondContact CB-OD1 3.31Å; S87-D105 PolarHBondContact OG-OD1 2.98Å; R103-D105 IonicContact NE-OD1 3.52Å; D105-I112 WeakPolarHBondContact O-CA 3.46Å; D105-R113 HydrophobicContact CB-CB 4.39Å; D105-R113 PolarHBondContact N-O 3.19Å; D105-R113 PolarHBondContact O-N 3.32Å; D105-R115 IonicContact OD2-CZ 3.22Å; D105-R115 IonicContact OD2-NH1 3.72Å; D105-R115 PolarHBondContact OD2-NH1 3.38Å; D105-R115 IonicContact OD2-NH2 3.55Å
106L95.9Very high94.3Very high10 Ų1060.5 Ų60.55%0.05229%0.291CS..EExtended strand (participates in β ladder)trans-104115.5176-75.579.5000109.1Y36 V38 V83 G86 Y88 V104 I112Y36-L106 HydrophobicContact CD2-CD2 4.17Å; Y36-L106 HydrophobicContact CG-CD2 4.41Å; V38-L106 HydrophobicContact CG2-CD1 4.08Å; V38-L106 HydrophobicContact CG2-CD2 4.18Å; V83-L106 HydrophobicContact CB-CD2 4.07Å; V83-L106 HydrophobicContact CG1-CD2 3.97Å; G86-L106 PolarHBondContact N-O 3.04Å; G86-L106 PolarHBondContact O-N 3.11Å; Y88-L106 HydrophobicContact CD2-CD1 4.22Å; V104-L106 HydrophobicContact CB-CD1 4.23Å; V104-L106 HydrophobicContact CG1-CD1 3.58Å; L106-I112 HydrophobicContact CG-CG1 4.49Å
107T94.4Very high94.5Very high52 Ų5257.6 Ų57.632%0.31928%0.275SS..  trans-81151.5172.4-470000109.7K109 G110 K111T107-K109 HydrophobicContact CG2-CB 4.1Å; T107-K109 HydrophobicContact CG2-CG 4.16Å; T107-K109 PolarHBondContact O-N 3.24Å; T107-G110 PolarHBondContact O-N 3.49Å; T107-K111 PolarHBondContact N-O 2.71Å; T107-K111 PolarHBondContact OG1-O 3.15Å
108S92.2Very high94.6Very high84 Ų8460.2 Ų60.259%0.58729%0.289SS*.THydrogen-bonded Turntrans-59-9.816955.80000114.7Y36Y36-S108 VanDerWaalsContact OH-C 3.3Å; Y36-S108 PolarHBondContact OH-O 2.85Å
109K92Very high94.4Very high186 Ų18663.6 Ų63.681%0.80930%0.298SS*.THydrogen-bonded Turntrans-88.9-5172.5-60.7-173.9178.4-174.80113.3T107 K111T107-K109 HydrophobicContact CG2-CB 4.1Å; T107-K109 HydrophobicContact CG2-CG 4.16Å; T107-K109 PolarHBondContact O-N 3.24Å; K109-K111 VanDerWaalsContact C-N 3.35Å
110G90Very high94.2Very high28 Ų2869.1 Ų69.129%0.28933%0.333SS..SBendtrans82.15.9-174.500000115.3Y36 T107 I112Y36-G110 PolarHBondContact OH-N 3.22Å; Y36-G110 VanDerWaalsContact OH-N 3.15Å; T107-G110 PolarHBondContact O-N 3.49Å; G110-I112 PolarHBondContact O-N 2.96Å
111K94.9Very high94Very high120 Ų12070.8 Ų70.852%0.52234%0.34SS..  trans-73.1120.8171.1-173.3172.3-176172.30109.5T107 K109T107-K111 PolarHBondContact N-O 2.71Å; T107-K111 PolarHBondContact OG1-O 3.15Å; K109-K111 VanDerWaalsContact C-N 3.35Å
112I95.9Very high93.6Very high39 Ų3974.9 Ų74.920%0.237%0.366CS..EExtended strand (participates in β ladder)trans-99.6133.9176.1-56.1177.5000108.9V104 D105 L106 G110 Y130V104-I112 HydrophobicContact CG1-CG2 3.48Å; V104-I112 VanDerWaalsContact CG1-CG2 3.48Å; D105-I112 WeakPolarHBondContact O-CA 3.46Å; L106-I112 HydrophobicContact CG-CG1 4.49Å; G110-I112 PolarHBondContact O-N 2.96Å; I112-Y130 HydrophobicContact CD1-CE1 4.17Å; I112-Y130 HydrophobicContact CD1-CE2 4.25Å; I112-Y130 HydrophobicContact CG2-CD2 3.78Å; I112-Y130 HydrophobicContact CG2-CE2 3.74Å; I112-Y130 HydrophobicContact CG2-CG 4.32Å
113R95.6Very high93.3Very high124 Ų12478.6 Ų78.647%0.46839%0.394SS..EExtended strand (participates in β ladder)trans-127.8130171.3-56.1-178.3-171.4-169.90.7109V104 D105V104-R113 CarbonylContact C-O 3.37Å; V104-R113 WeakPolarHBondContact CA-O 3.21Å; D105-R113 HydrophobicContact CB-CB 4.39Å; D105-R113 PolarHBondContact N-O 3.19Å; D105-R113 PolarHBondContact O-N 3.32Å
114A96.5Very high93.1Very high7 Ų778.7 Ų78.76%0.05840%0.4CS..EExtended strand (participates in β ladder)trans-107.4142.8176.300000110.6R103 A128 L132R103-A114 CarbonylContact O-C 3.56Å; R103-A114 WeakPolarHBondContact O-CA 3.33Å; A114-A128 HydrophobicContact CB-CB 4.03Å; A114-A128 PolarHBondContact O-N 2.79Å; A114-L132 HydrophobicContact CB-CD2 3.52Å
115R94.9Very high92.8Very high69 Ų6983.1 Ų83.126%0.2643%0.427SS..EExtended strand (participates in β ladder)trans-140.7151.3176-62.9170.9-179.3142.97.5108.8F102 R103 D105 V125 V126F102-R115 CarbonylContact C-O 3.6Å; F102-R115 WeakPolarHBondContact CA-O 2.88Å; R103-R115 PolarHBondContact N-O 3.27Å; R103-R115 PolarHBondContact O-N 3.49Å; D105-R115 IonicContact OD2-CZ 3.22Å; D105-R115 IonicContact OD2-NH1 3.72Å; D105-R115 PolarHBondContact OD2-NH1 3.38Å; D105-R115 IonicContact OD2-NH2 3.55Å; R115-V125 HydrophobicContact CG-CG1 4.15Å; R115-V126 CarbonylContact C-O 3.6Å; R115-V126 WeakPolarHBondContact CA-O 3.46Å
116R94.7Very high92.7Very high125 Ų12584.8 Ų84.847%0.47244%0.438SS..EExtended strand (participates in β ladder)trans-68.2139.2169-69.2177.4178.6-149.87.3109.6E100 F102 V126E100-R116 WeakPolarHBondContact OE1-CD 3.44Å; E100-R116 WeakPolarHBondContact OE1-CG 2.98Å; E100-R116 IonicContact OE1-NE 2.65Å; E100-R116 IonicContact OE1-NH1 3.94Å; E100-R116 IonicContact OE2-CZ 3.91Å; E100-R116 IonicContact OE2-NH1 3.65Å; F102-R116 HydrophobicContact CD1-CG 4.11Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; R116-V126 HydrophobicContact CB-CB 4.28Å; R116-V126 HydrophobicContact CG-CG1 4.39Å; R116-V126 PolarHBondContact N-O 2.96Å
117L93.9Very high92.6Very high34 Ų3488.2 Ų88.218%0.17847%0.468CS..  trans-83.6118.5179.4-174.761.7000110.1V89 A101 R103 Y119V89-L117 HydrophobicContact CB-CD2 4.21Å; V89-L117 HydrophobicContact CG1-CD2 3.46Å; V89-L117 VanDerWaalsContact CG1-CD2 3.46Å; V89-L117 HydrophobicContact CG2-CD1 4.15Å; V89-L117 HydrophobicContact CG2-CD2 3.68Å; A101-L117 HydrophobicContact CB-CB 4.2Å; A101-L117 HydrophobicContact CB-CD2 3.83Å; A101-L117 VanDerWaalsContact O-CB 3.26Å; A101-L117 WeakPolarHBondContact O-CB 3.33Å; A101-L117 PolarHBondContact O-N 3.47Å; A101-L117 VanDerWaalsContact O-N 3.08Å; R103-L117 HydrophobicContact CB-CD1 4.27Å; L117-Y119 HydrophobicContact CD2-CE1 3.71Å; L117-Y119 HydrophobicContact CD2-CE2 3.93Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.41Å; L117-Y119 HydrophobicContact CG-CE1 4.14Å; L117-Y119 HydrophobicContact CG-CE2 4.24Å
118N92.2Very high92.6Very high58 Ų5886.8 Ų86.831%0.3146%0.461SS..  trans-115115.2171.9-171.3-15.6000109.5V120 Q121N118-V120 PolarHBondContact OD1-N 3.2Å; N118-Q121 PolarHBondContact OD1-N 2.97Å; N118-Q121 VanDerWaalsContact OD1-N 3.15Å
119Y90Very high92.7Very high149 Ų14986.8 Ų86.858%0.58446%0.461SS*.SBendtrans-79.7-27.1178.5-65.7-71.3000113.4L117L117-Y119 HydrophobicContact CD2-CE1 3.71Å; L117-Y119 HydrophobicContact CD2-CE2 3.93Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.41Å; L117-Y119 HydrophobicContact CG-CE1 4.14Å; L117-Y119 HydrophobicContact CG-CE2 4.24Å
120V91.2Very high92.8Very high138 Ų13881.9 Ų81.984%0.83644%0.438SS*.SBendtrans-81.6-43.6-174.7-177.50000110.5N118N118-V120 PolarHBondContact OD1-N 3.2Å
121Q91.1Very high93.1Very high102 Ų10284 Ų8448%0.47745%0.446SS..  trans-132.889.7-178.3-166.8173.242.400111.1N118 S123 M124N118-Q121 PolarHBondContact OD1-N 2.97Å; N118-Q121 VanDerWaalsContact OD1-N 3.15Å; Q121-S123 VanDerWaalsContact CG-OG 3.31Å; Q121-S123 WeakPolarHBondContact CG-OG 3.27Å; Q121-S123 PolarHBondContact O-N 3.45Å; Q121-M124 HydrophobicContact CB-CB 4.32Å; Q121-M124 HydrophobicContact CG-CB 4.08Å; Q121-M124 PolarHBondContact O-N 3.46Å
122P86.8Confident93.1Very high102 Ų10278.3 Ų78.366%0.66242%0.422SS*.THydrogen-bonded Turntrans-69.1-18-179.127.3-34.9000113.6M124P122-M124 VanDerWaalsContact C-N 3.32Å
123S90.1Very high93.1Very high92 Ų9280.3 Ų80.364%0.64343%0.432SS*.THydrogen-bonded Turntrans-73.6-22.6174.356.10000113.1Q121 V125Q121-S123 VanDerWaalsContact CG-OG 3.31Å; Q121-S123 WeakPolarHBondContact CG-OG 3.27Å; Q121-S123 PolarHBondContact O-N 3.45Å; S123-V125 PolarHBondContact O-N 3.02Å
124M90.9Very high93.2Very high105 Ų10574.4 Ų74.452%0.51741%0.41SS..  trans-80103.4176.1-170.2-174.3-169.800109.4Q121 P122Q121-M124 HydrophobicContact CB-CB 4.32Å; Q121-M124 HydrophobicContact CG-CB 4.08Å; Q121-M124 PolarHBondContact O-N 3.46Å; P122-M124 VanDerWaalsContact C-N 3.32Å
125V89.5Confident93Very high93 Ų9378.2 Ų78.256%0.56443%0.432SS*.  trans-96109-177.1179.50000110.3R115 S123R115-V125 HydrophobicContact CG-CG1 4.15Å; S123-V125 PolarHBondContact O-N 3.02Å
126V93.4Very high92.9Very high64 Ų6475.9 Ų75.939%0.38843%0.426SS..  trans-102.1108.8167.3-175.30000108.5R115 R116R115-V126 CarbonylContact C-O 3.6Å; R115-V126 WeakPolarHBondContact CA-O 3.46Å; R116-V126 HydrophobicContact CB-CB 4.28Å; R116-V126 HydrophobicContact CG-CG1 4.39Å; R116-V126 PolarHBondContact N-O 2.96Å
127A94.1Very high92.8Very high82 Ų8277.7 Ų77.768%0.67844%0.437SS*.EExtended strand (participates in β ladder)trans-64.1139.4176.700000110.6
128A94.1Very high92.6Very high22 Ų2278.6 Ų78.618%0.18245%0.446CS..EExtended strand (participates in β ladder)trans-114149.4172.200000109.2F102 A114F102-A128 HydrophobicContact CD1-CB 3.64Å; F102-A128 HydrophobicContact CE1-CB 3.58Å; A114-A128 HydrophobicContact CB-CB 4.03Å; A114-A128 PolarHBondContact O-N 2.79Å
129S94.5Very high92.5Very high83 Ų8381.7 Ų81.758%0.5846%0.459SS*.  trans-70.6155173.750.50000111.2
130Y94.8Very high92.5Very high84 Ų8475.6 Ų75.633%0.32944%0.439SS..SBendtrans-118.8136.9170.9-172.3-95.1000108.7S37 E39 I112 L132S37-Y130 PolarHBondContact O-OH 3.35Å; E39-Y130 PolarHBondContact N-OH 2.91Å; I112-Y130 HydrophobicContact CD1-CE1 4.17Å; I112-Y130 HydrophobicContact CD1-CE2 4.25Å; I112-Y130 HydrophobicContact CG2-CD2 3.78Å; I112-Y130 HydrophobicContact CG2-CE2 3.74Å; I112-Y130 HydrophobicContact CG2-CG 4.32Å; Y130-L132 HydrophobicContact CD2-CG 4.47Å
131P95.4Very high92.5Very high71 Ų7179.1 Ų79.146%0.46144%0.437SS..SBendcis-66.7158.13.829.7-36.7000113.3E39E39-P131 HydrophobicContact CB-CB 4.4Å
132L96.5Very high92.5Very high1 Ų182.2 Ų82.21%0.00545%0.445CS..EExtended strand (participates in β ladder)trans-65.2139-175.5-62.9174.2000111.4V38 E39 G40 R41 F78 V90 F102 V104 A114 Y130 F134V38-L132 HydrophobicContact CG1-CD1 4.14Å; E39-L132 PolarHBondContact O-N 2.99Å; E39-L132 VanDerWaalsContact O-N 3.08Å; G40-L132 CarbonylContact C-O 3.6Å; G40-L132 WeakPolarHBondContact CA-O 3.31Å; R41-L132 PolarHBondContact N-O 2.87Å; F78-L132 HydrophobicContact CZ-CB 4.45Å; F78-L132 HydrophobicContact CZ-CD1 4.41Å; V90-L132 HydrophobicContact CB-CD1 4.1Å; V90-L132 HydrophobicContact CG1-CD1 3.96Å; V90-L132 HydrophobicContact CG2-CD1 4.33Å; F102-L132 HydrophobicContact CB-CD2 3.93Å; F102-L132 HydrophobicContact CD2-CD2 4.4Å; F102-L132 HydrophobicContact CG-CD2 4.05Å; V104-L132 HydrophobicContact CG2-CD1 3.79Å; V104-L132 HydrophobicContact CG2-CD2 4.11Å; V104-L132 HydrophobicContact CG2-CG 4.42Å; A114-L132 HydrophobicContact CB-CD2 3.52Å; Y130-L132 HydrophobicContact CD2-CG 4.47Å; L132-F134 HydrophobicContact CB-CD2 4.3Å; L132-F134 HydrophobicContact CB-CE2 3.84Å; L132-F134 HydrophobicContact CD1-CE2 3.92Å; L132-F134 HydrophobicContact CD1-CZ 4.26Å
133I96Very high92.7Very high81 Ų8186.2 Ų86.242%0.41545%0.453SS..EExtended strand (participates in β ladder)trans-121.5109.1174.8-55.7175.2000108.3R41 V43 F102 V135R41-I133 WeakPolarHBondContact O-CA 3.19Å; V43-I133 HydrophobicContact CG2-CG2 3.98Å; F102-I133 WeakPolarHBondContact CE2-O 3.06Å; I133-V135 HydrophobicContact CG2-CG2 4.26Å
134F96.2Very high92.6Very high1 Ų193.3 Ų93.30%0.00447%0.465CS..EExtended strand (participates in β ladder)trans-92.2120.3175.6-72-90.4000109.7R41 V42 V43 F78 V90 V92 F99 E100 F102 L132R41-F134 PolarHBondContact O-N 2.83Å; V42-F134 HydrophobicContact CG1-CB 4.46Å; V42-F134 HydrophobicContact CG2-CB 4.25Å; V43-F134 PolarHBondContact N-O 3.45Å; F78-F134 AromaticContact CE1-CD2 3.86Å; F78-F134 HydrophobicContact CE1-CD2 3.86Å; F78-F134 AromaticContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CZ-CD2 4.1Å; F78-F134 AromaticContact CZ-CE2 3.7Å; F78-F134 HydrophobicContact CZ-CE2 3.7Å; V90-F134 HydrophobicContact CB-CZ 4.27Å; V90-F134 HydrophobicContact CG1-CE2 4.24Å; V90-F134 HydrophobicContact CG1-CZ 3.83Å; V90-F134 WeakPolarHBondContact O-CZ 3.45Å; V92-F134 HydrophobicContact CB-CD1 4.39Å; V92-F134 HydrophobicContact CG2-CB 3.98Å; V92-F134 HydrophobicContact CG2-CD1 3.58Å; V92-F134 HydrophobicContact CG2-CD2 3.78Å; V92-F134 HydrophobicContact CG2-CE1 3.9Å; V92-F134 HydrophobicContact CG2-CE2 4.12Å; V92-F134 HydrophobicContact CG2-CG 3.49Å; V92-F134 VanDerWaalsContact CG2-CG 3.49Å; V92-F134 HydrophobicContact CG2-CZ 4.16Å; F99-F134 HydrophobicContact CB-CD1 4.25Å; F99-F134 HydrophobicContact CD1-CB 3.94Å; F99-F134 HydrophobicContact CE1-CB 4.46Å; E100-F134 WeakPolarHBondContact O-CD1 3.3Å; E100-F134 WeakPolarHBondContact O-CE1 3.49Å; F102-F134 AromaticContact CD2-CD1 3.92Å; F102-F134 HydrophobicContact CD2-CD1 3.92Å; F102-F134 AromaticContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE1 3.49Å; F102-F134 VanDerWaalsContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE2 4.15Å; F102-F134 HydrophobicContact CD2-CG 4.46Å; F102-F134 AromaticContact CD2-CZ 3.62Å; F102-F134 HydrophobicContact CD2-CZ 3.62Å; F102-F134 AromaticContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CE1 4Å; F102-F134 HydrophobicContact CE2-CG 4.29Å; F102-F134 HydrophobicContact CE2-CZ 4.36Å; L132-F134 HydrophobicContact CB-CD2 4.3Å; L132-F134 HydrophobicContact CB-CE2 3.84Å; L132-F134 HydrophobicContact CD1-CE2 3.92Å; L132-F134 HydrophobicContact CD1-CZ 4.26Å
135V93.7Very high92.5Very high87 Ų8796 Ų9653%0.52748%0.477SS..EExtended strand (participates in β ladder)trans-108.8141.5174.2-176.80000108.6F99 I133 K137F99-V135 WeakPolarHBondContact CD1-O 3.4Å; I133-V135 HydrophobicContact CG2-CG2 4.26Å; V135-K137 PolarHBondContact O-N 3.28Å
136V92.8Very high92.4Very high20 Ų20102.5 Ų102.512%0.12149%0.491CS..EExtended strand (participates in β ladder)trans-63.6123174.8-178.10000109.4L44 M48 F99L44-V136 HydrophobicContact CD2-CG2 3.84Å; M48-V136 HydrophobicContact SD-CB 4.43Å; M48-V136 HydrophobicContact SD-CG1 3.89Å; M48-V136 HydrophobicContact SD-CG2 3.9Å; F99-V136 HydrophobicContact CD1-CG2 4.46Å; F99-V136 HydrophobicContact CE1-CB 4.25Å; F99-V136 HydrophobicContact CE1-CG2 3.51Å; F99-V136 HydrophobicContact CZ-CG2 3.6Å
137K91.6Very high92.1Very high162 Ų162108.7 Ų108.770%0.70452%0.516SS*.EExtended strand (participates in β ladder)trans-85.4-45.2176.1-176.2175.7-179.8174.90111.5I98 V135I98-K137 PolarHBondContact O-N 2.84Å; V135-K137 PolarHBondContact O-N 3.28Å
138S90.1Very high91.8Very high54 Ų54114.3 Ų114.338%0.37852%0.52SS..EExtended strand (participates in β ladder)trans-162.6164.5179.1600000111.1I98I98-S138 PolarHBondContact N-O 3.07Å
139Q90.1Very high91.3Very high123 Ų123124.6 Ų124.658%0.57555%0.554SS**EExtended strand (participates in β ladder)trans-81.5141168.4-66.2-177.5-1.600110.2N96 R141N96-Q139 WeakPolarHBondContact O-CA 3.47Å; Q139-R141 PolarHBondContact O-N 3.45Å
140A89.9Confident90.8Very high20 Ų20128.3 Ų128.317%0.16556%0.555CS.*  trans-70119.6177.300000110.2A95 N96 I98 Y142A95-A140 WeakPolarHBondContact O-CB 3.48Å; N96-A140 PolarHBondContact O-N 3.36Å; I98-A140 HydrophobicContact CD1-CB 4.26Å; I98-A140 HydrophobicContact CG1-CB 4.17Å; A140-Y142 HydrophobicContact CB-CD2 4.29Å; A140-Y142 HydrophobicContact CB-CE1 4.46Å; A140-Y142 HydrophobicContact CB-CE2 3.66Å
141R90.8Very high90.6Very high212 Ų212130.6 Ų130.680%0.857%0.572SS**  trans-112.284.1173.7-67.5-176.9178.81770.2108.9Q139 F143Q139-R141 PolarHBondContact O-N 3.45Å; R141-F143 VanDerWaalsContact C-N 3.3Å
142Y90.5Very high90.3Very high167 Ų167131.1 Ų131.166%0.65557%0.574SS**  trans-68.8-32.6179-60.9-70.9000112.6A95 A140A95-Y142 WeakPolarHBondContact O-CE2 3.16Å; A95-Y142 PolarHBondContact O-OH 3.23Å; A140-Y142 HydrophobicContact CB-CD2 4.29Å; A140-Y142 HydrophobicContact CB-CE1 4.46Å; A140-Y142 HydrophobicContact CB-CE2 3.66Å
143F91Very high89.9Confident186 Ų186135.3 Ų135.382%0.81660%0.596SS**SBendtrans-90.2117.5176.5-58.2-75.7000109.6R141 Q145R141-F143 VanDerWaalsContact C-N 3.3Å; F143-Q145 PolarHBondContact O-N 2.89Å
144R88.5Confident89.6Confident241 Ų241136.9 Ų136.991%0.90960%0.6SS**PPolyproline II helixtrans-64.6126.4159.8-69.7-167.8-173-173.63.9107.3R146R144-R146 PolarHBondContact O-N 3.45Å
145Q88.6Confident89.3Confident161 Ų161140.8 Ų140.875%0.75262%0.621SS**PPolyproline II helixtrans-59.4130.1169.3-67.9-174-8.200107.6F143 E147F143-Q145 PolarHBondContact O-N 2.89Å; Q145-E147 PolarHBondContact O-N 3.04Å
146R88.8Confident89.2Confident230 Ų230142.7 Ų142.787%0.86863%0.627SS**PPolyproline II helixtrans-58.4134.8172.8-67-180-180-97.91.2107.7R144 R148R144-R146 PolarHBondContact O-N 3.45Å; R146-R148 PolarHBondContact O-N 3.21Å
147E86Confident89.1Confident195 Ų195143.2 Ų143.291%0.91163%0.632SS**  trans-53.3112.3169.8-69.6172.2-167.300107.2Q145Q145-E147 PolarHBondContact O-N 3.04Å
148R87.3Confident89.2Confident200 Ų200140.6 Ų140.676%0.75563%0.631SS**  trans-79.8142175.4-65-176.3-178.5179.6-0.8106.5R146 R150R146-R148 PolarHBondContact O-N 3.21Å; R148-R150 VanDerWaalsContact C-N 3.26Å; R148-R150 PolarHBondContact O-N 3.5Å
149W83.9Confident89.4Confident238 Ų238145.7 Ų145.790%0.90265%0.651SS**  trans-60.893.8165.8-71.791.6000108.5
150R84.6Confident89.6Confident160 Ų160140.6 Ų140.660%0.60463%0.629SS**  trans-86.3121.6169.2-74.1179.5167.1-169.8-0.8106.8R148 T152 D153 F154R148-R150 VanDerWaalsContact C-N 3.26Å; R148-R150 PolarHBondContact O-N 3.5Å; R150-T152 PolarHBondContact O-N 2.81Å; R150-D153 HydrophobicContact CB-CB 3.89Å; R150-D153 VanDerWaalsContact CB-CG 3.44Å; R150-D153 VanDerWaalsContact CD-OD2 3.26Å; R150-D153 WeakPolarHBondContact CD-OD2 3.38Å; R150-D153 PolarHBondContact O-N 3.04Å; R150-F154 PolarHBondContact O-N 3.45Å; R150-F154 VanDerWaalsContact O-N 3.07Å
151I89.4Confident89.8Confident133 Ų133144.4 Ų144.468%0.68265%0.645SS**Hα-helixtrans-57.5-33.4175.5-58.7167.7000109.9F154 L155I151-F154 PolarHBondContact O-N 3.26Å; I151-L155 HydrophobicContact CG2-CD1 3.92Å; I151-L155 HydrophobicContact CG2-CG 4.26Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.42Å
152T89.9Confident90Very high81 Ų81139.2 Ų139.250%0.49763%0.631SS.*Hα-helixtrans-61.9-41.7173.254.20000112.8R150 F154 L155 L156R150-T152 PolarHBondContact O-N 2.81Å; T152-F154 VanDerWaalsContact C-N 3.29Å; T152-F154 PolarHBondContact O-N 3.43Å; T152-L155 PolarHBondContact O-N 2.98Å; T152-L156 VanDerWaalsContact O-CB 3.24Å; T152-L156 WeakPolarHBondContact O-CB 3.46Å; T152-L156 VanDerWaalsContact O-CG 3.27Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 3.32Å
153D88.6Confident90.1Very high90 Ų90136.1 Ų136.148%0.48162%0.624SS.*Hα-helixtrans-71.7-30.1-179.2-60.36.5000110.4R150 S157R150-D153 HydrophobicContact CB-CB 3.89Å; R150-D153 VanDerWaalsContact CB-CG 3.44Å; R150-D153 VanDerWaalsContact CD-OD2 3.26Å; R150-D153 WeakPolarHBondContact CD-OD2 3.38Å; R150-D153 PolarHBondContact O-N 3.04Å; D153-S157 PolarHBondContact O-N 3.3Å
154F88.5Confident90.3Very high114 Ų114131 Ų13150%0.561%0.605SS.*Hα-helixtrans-70.3-48.9171.7178.7-101.8000112.4R150 I151 T152 L156 S157 V160R150-F154 PolarHBondContact O-N 3.45Å; R150-F154 VanDerWaalsContact O-N 3.07Å; I151-F154 PolarHBondContact O-N 3.26Å; T152-F154 VanDerWaalsContact C-N 3.29Å; T152-F154 PolarHBondContact O-N 3.43Å; F154-L156 PolarHBondContact O-N 2.91Å; F154-S157 VanDerWaalsContact O-CB 3.28Å; F154-S157 WeakPolarHBondContact O-CB 3.21Å; F154-S157 PolarHBondContact O-N 3.44Å; F154-S157 PolarHBondContact O-OG 3.46Å; F154-V160 HydrophobicContact CD1-CG2 4.48Å; F154-V160 HydrophobicContact CD2-CG2 4.37Å; F154-V160 HydrophobicContact CE1-CG1 4.4Å; F154-V160 HydrophobicContact CE1-CG2 4.05Å; F154-V160 HydrophobicContact CE2-CG2 3.92Å; F154-V160 HydrophobicContact CZ-CG2 3.75Å; F154-V160 WeakPolarHBondContact O-CB 3.44Å
155L90.3Very high90.5Very high83 Ų83123.9 Ų123.944%0.43558%0.584SS.*Hα-helixtrans-65.2-36.8178.7-71.8170.3000112.7I151 T152 S157 V160 L164I151-L155 HydrophobicContact CG2-CD1 3.92Å; I151-L155 HydrophobicContact CG2-CG 4.26Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.42Å; T152-L155 PolarHBondContact O-N 2.98Å; L155-S157 PolarHBondContact O-N 2.91Å; L155-V160 HydrophobicContact CD2-CG1 4.49Å; L155-L164 HydrophobicContact CD2-CD1 4.48Å
156L91.4Very high90.8Very high127 Ų127123 Ų12367%0.66558%0.578SS**THydrogen-bonded Turntrans-82.93.1176.6-66.7172.1000113.3T152 F154T152-L156 VanDerWaalsContact O-CB 3.24Å; T152-L156 WeakPolarHBondContact O-CB 3.46Å; T152-L156 VanDerWaalsContact O-CG 3.27Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 3.32Å; F154-L156 PolarHBondContact O-N 2.91Å
157S92Very high91Very high31 Ų31116 Ų11622%0.21756%0.558CS.*SBendtrans-65.2137.617471.10000109.7D153 F154 L155 M159 V160 L161D153-S157 PolarHBondContact O-N 3.3Å; F154-S157 VanDerWaalsContact O-CB 3.28Å; F154-S157 WeakPolarHBondContact O-CB 3.21Å; F154-S157 PolarHBondContact O-N 3.44Å; F154-S157 PolarHBondContact O-OG 3.46Å; L155-S157 PolarHBondContact O-N 2.91Å; S157-M159 PolarHBondContact O-N 3.18Å; S157-V160 PolarHBondContact O-N 2.87Å; S157-V160 WeakPolarHBondContact OG-CB 3.48Å; S157-V160 WeakPolarHBondContact OG-CG2 3.47Å; S157-V160 PolarHBondContact OG-N 3.15Å; S157-L161 WeakPolarHBondContact O-CB 3.48Å; S157-L161 PolarHBondContact O-N 2.98Å
158P93.8Very high91.4Very high107 Ų107113 Ų11370%0.69554%0.542SS*.Hα-helixtrans-54.1-32.4-177.8-27.633.9000113.4M162P158-M162 WeakPolarHBondContact O-CB 3.28Å; P158-M162 WeakPolarHBondContact O-CG 3.46Å; P158-M162 PolarHBondContact O-N 3.27Å; P158-M162 VanDerWaalsContact O-N 3.15Å
159M93.2Very high91.7Very high160 Ų160107 Ų10779%0.78853%0.527SS*.Hα-helixtrans-73.1-47.8-179.7-170.4-179.7-71.800112.7S157 L161 M162 M163S157-M159 PolarHBondContact O-N 3.18Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-M162 PolarHBondContact O-N 3.23Å; M159-M163 PolarHBondContact O-N 2.93Å
160V94.5Very high92Very high17 Ų17102.4 Ų102.410%0.10352%0.517CS..Hα-helixtrans-67.8-37.7178.8175.80000110.6F154 L155 S157 M163 L164F154-V160 HydrophobicContact CD1-CG2 4.48Å; F154-V160 HydrophobicContact CD2-CG2 4.37Å; F154-V160 HydrophobicContact CE1-CG1 4.4Å; F154-V160 HydrophobicContact CE1-CG2 4.05Å; F154-V160 HydrophobicContact CE2-CG2 3.92Å; F154-V160 HydrophobicContact CZ-CG2 3.75Å; F154-V160 WeakPolarHBondContact O-CB 3.44Å; L155-V160 HydrophobicContact CD2-CG1 4.49Å; S157-V160 PolarHBondContact O-N 2.87Å; S157-V160 WeakPolarHBondContact OG-CB 3.48Å; S157-V160 WeakPolarHBondContact OG-CG2 3.47Å; S157-V160 PolarHBondContact OG-N 3.15Å; V160-M163 HydrophobicContact CG1-CE 4.37Å; V160-M163 WeakPolarHBondContact O-CB 3.49Å; V160-M163 PolarHBondContact O-N 3.1Å; V160-L164 HydrophobicContact CG1-CD1 4.25Å; V160-L164 HydrophobicContact CG1-CG 4.46Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.3Å
161L95Very high92.3Very high99 Ų9999.8 Ų99.852%0.51851%0.514SS..Hα-helixtrans-63.8-42.2176.9-169.568.8000112S157 M159 L164 L165S157-L161 WeakPolarHBondContact O-CB 3.48Å; S157-L161 PolarHBondContact O-N 2.98Å; M159-L161 VanDerWaalsContact C-N 3.34Å; L161-L164 PolarHBondContact O-N 2.79Å; L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.27Å; L161-L165 PolarHBondContact O-N 3.08Å
162M94Very high92.3Very high103 Ų10395.8 Ų95.851%0.50750%0.496SS..Hα-helixtrans-63.1-42.4173.8-73.5-66.6174.100111.5P158 M159 L164 L165 F166P158-M162 WeakPolarHBondContact O-CB 3.28Å; P158-M162 WeakPolarHBondContact O-CG 3.46Å; P158-M162 PolarHBondContact O-N 3.27Å; P158-M162 VanDerWaalsContact O-N 3.15Å; M159-M162 PolarHBondContact O-N 3.23Å; M162-L164 PolarHBondContact O-N 2.96Å; M162-L165 PolarHBondContact O-N 3.2Å; M162-L165 HydrophobicContact SD-CD2 4.28Å; M162-F166 HydrophobicContact CB-CD2 4.35Å; M162-F166 HydrophobicContact CB-CE2 4.14Å; M162-F166 WeakPolarHBondContact O-CB 3.24Å; M162-F166 WeakPolarHBondContact O-CD2 3.26Å; M162-F166 WeakPolarHBondContact O-CG 3.27Å; M162-F166 PolarHBondContact O-N 2.78Å
163M93.5Very high92.1Very high103 Ų10398.8 Ų98.851%0.50750%0.502SS..Hα-helixtrans-59-47.5175.3-176.6-168.972.400111.7M159 V160 L165 F166 L167M159-M163 PolarHBondContact O-N 2.93Å; V160-M163 HydrophobicContact CG1-CE 4.37Å; V160-M163 WeakPolarHBondContact O-CB 3.49Å; V160-M163 PolarHBondContact O-N 3.1Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-L165 PolarHBondContact O-N 3.09Å; M163-F166 PolarHBondContact O-N 3.35Å; M163-L167 HydrophobicContact CG-CD1 4.43Å; M163-L167 WeakPolarHBondContact O-CG 3.27Å; M163-L167 PolarHBondContact O-N 2.89Å
164L93.7Very high91.8Very high79 Ų7997.1 Ų97.141%0.41450%0.496SS..Hα-helixtrans-63.8-39.2176.6-70.6175.4000112L155 V160 L161 M162 L167 F168L155-L164 HydrophobicContact CD2-CD1 4.48Å; V160-L164 HydrophobicContact CG1-CD1 4.25Å; V160-L164 HydrophobicContact CG1-CG 4.46Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.3Å; L161-L164 PolarHBondContact O-N 2.79Å; M162-L164 PolarHBondContact O-N 2.96Å; L164-L167 PolarHBondContact O-N 2.94Å; L164-F168 VanDerWaalsContact O-CB 3.31Å; L164-F168 WeakPolarHBondContact O-CB 3.26Å; L164-F168 PolarHBondContact O-N 2.51Å
165L93.5Very high91.5Very high90 Ų9098.4 Ų98.447%0.47150%0.502SS..Hα-helixtrans-63.2-46175.3-179.664.8000111.5L161 M162 M163 F168 V169L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.27Å; L161-L165 PolarHBondContact O-N 3.08Å; M162-L165 PolarHBondContact O-N 3.2Å; M162-L165 HydrophobicContact SD-CD2 4.28Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-L165 PolarHBondContact O-N 3.09Å; L165-F168 WeakPolarHBondContact O-CB 3.28Å; L165-F168 PolarHBondContact O-N 2.65Å; L165-V169 WeakPolarHBondContact O-CG2 3.08Å; L165-V169 PolarHBondContact O-N 2.79Å
166F93.9Very high90.9Very high143 Ų14399.5 Ų99.563%0.62751%0.508SS*.Hα-helixtrans-62.9-42176.3-74.6-58.2000111.9M162 M163 F168 V169 M170M162-F166 HydrophobicContact CB-CD2 4.35Å; M162-F166 HydrophobicContact CB-CE2 4.14Å; M162-F166 WeakPolarHBondContact O-CB 3.24Å; M162-F166 WeakPolarHBondContact O-CD2 3.26Å; M162-F166 WeakPolarHBondContact O-CG 3.27Å; M162-F166 PolarHBondContact O-N 2.78Å; M163-F166 PolarHBondContact O-N 3.35Å; F166-F168 VanDerWaalsContact C-N 3.35Å; F166-V169 PolarHBondContact O-N 2.92Å; F166-M170 WeakPolarHBondContact O-CB 3.14Å; F166-M170 PolarHBondContact O-N 2.99Å
167L93.7Very high89.9Confident83 Ų8395.3 Ų95.344%0.43549%0.492SS..Hα-helixtrans-62.2-42.4173.3-74.8172.8000111.7M163 L164 M170 I171M163-L167 HydrophobicContact CG-CD1 4.43Å; M163-L167 WeakPolarHBondContact O-CG 3.27Å; M163-L167 PolarHBondContact O-N 2.89Å; L164-L167 PolarHBondContact O-N 2.94Å; L167-M170 PolarHBondContact O-N 2.85Å; L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 2.85Å
168F94.7Very high88.8Confident133 Ų13399.8 Ų99.858%0.58351%0.513SS*.Hα-helixtrans-60.8-47176.4-178.9-101.1000111.5L164 L165 F166 I171 V172L164-F168 VanDerWaalsContact O-CB 3.31Å; L164-F168 WeakPolarHBondContact O-CB 3.26Å; L164-F168 PolarHBondContact O-N 2.51Å; L165-F168 WeakPolarHBondContact O-CB 3.28Å; L165-F168 PolarHBondContact O-N 2.65Å; F166-F168 VanDerWaalsContact C-N 3.35Å; F168-I171 PolarHBondContact O-N 3.41Å; F168-V172 HydrophobicContact CD1-CG2 4.27Å; F168-V172 HydrophobicContact CD2-CG2 4.27Å; F168-V172 HydrophobicContact CE1-CG2 3.92Å; F168-V172 HydrophobicContact CE2-CG2 3.92Å; F168-V172 HydrophobicContact CG-CG2 4.43Å; F168-V172 HydrophobicContact CZ-CG2 3.73Å; F168-V172 WeakPolarHBondContact O-CB 3.43Å; F168-V172 VanDerWaalsContact O-CG2 3.3Å; F168-V172 WeakPolarHBondContact O-CG2 3.26Å; F168-V172 PolarHBondContact O-N 3.14Å
169V93.2Very high87.2Confident73 Ų73101.2 Ų101.244%0.44251%0.514SS..Hα-helixtrans-62.8-42.5175.2174.20000111.1L165 F166 I171 V172 F173L165-V169 WeakPolarHBondContact O-CG2 3.08Å; L165-V169 PolarHBondContact O-N 2.79Å; F166-V169 PolarHBondContact O-N 2.92Å; V169-I171 PolarHBondContact O-N 3.01Å; V169-V172 PolarHBondContact O-N 2.98Å; V169-F173 HydrophobicContact CG1-CB 4.34Å; V169-F173 WeakPolarHBondContact O-CB 3.31Å; V169-F173 PolarHBondContact O-N 2.78Å
170M89.7Confident85.7Confident141 Ų14195.5 Ų95.570%0.69549%0.49SS*.Hα-helixtrans-61.4-29.5176.6-175-176.3176.600112.7F166 L167 P174F166-M170 WeakPolarHBondContact O-CB 3.14Å; F166-M170 PolarHBondContact O-N 2.99Å; L167-M170 PolarHBondContact O-N 2.85Å; M170-P174 WeakPolarHBondContact O-CD 3.41Å; M170-P174 WeakPolarHBondContact O-CG 3.19Å
171I91.5Very high84.4Confident105 Ų10599.9 Ų99.954%0.53851%0.513SS..Hα-helixtrans-83.1-39.6176.6-67165000111.4L167 F168 V169L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 2.85Å; F168-I171 PolarHBondContact O-N 3.41Å; V169-I171 PolarHBondContact O-N 3.01Å
172V89.7Confident83.1Confident49 Ų4999.1 Ų99.130%0.29751%0.514SS..Hα-helixtrans-79.7-44.5-175.6173.80000112F168 V169 K175 L176F168-V172 HydrophobicContact CD1-CG2 4.27Å; F168-V172 HydrophobicContact CD2-CG2 4.27Å; F168-V172 HydrophobicContact CE1-CG2 3.92Å; F168-V172 HydrophobicContact CE2-CG2 3.92Å; F168-V172 HydrophobicContact CG-CG2 4.43Å; F168-V172 HydrophobicContact CZ-CG2 3.73Å; F168-V172 WeakPolarHBondContact O-CB 3.43Å; F168-V172 VanDerWaalsContact O-CG2 3.3Å; F168-V172 WeakPolarHBondContact O-CG2 3.26Å; F168-V172 PolarHBondContact O-N 3.14Å; V169-V172 PolarHBondContact O-N 2.98Å; V172-K175 WeakPolarHBondContact O-CB 3.41Å; V172-K175 PolarHBondContact O-N 2.98Å; V172-K175 VanDerWaalsContact O-N 3.08Å; V172-L176 HydrophobicContact CG1-CD1 3.73Å; V172-L176 HydrophobicContact CG1-CG 3.99Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.49Å
173F84.7Confident81.9Confident144 Ų144100.6 Ų100.663%0.63252%0.519SS*.Hα-helixtrans-55.1-48.6-177.8-170.2-101.1000114.3V169 K175 L176 A177V169-F173 HydrophobicContact CG1-CB 4.34Å; V169-F173 WeakPolarHBondContact O-CB 3.31Å; V169-F173 PolarHBondContact O-N 2.78Å; F173-K175 VanDerWaalsContact C-N 3.28Å; F173-K175 PolarHBondContact O-N 2.76Å; F173-L176 PolarHBondContact O-N 2.89Å; F173-A177 WeakPolarHBondContact O-CB 3.34Å; F173-A177 PolarHBondContact O-N 2.81Å
174P82.7Confident80.7Confident55 Ų5598.2 Ų98.236%0.35751%0.51SS..Hα-helixtrans-66-31.817727-35.5000112M170 A177 N178M170-P174 WeakPolarHBondContact O-CD 3.41Å; M170-P174 WeakPolarHBondContact O-CG 3.19Å; P174-A177 PolarHBondContact O-N 2.94Å; P174-N178 WeakPolarHBondContact O-CB 3.19Å; P174-N178 PolarHBondContact O-N 2.87Å; P174-N178 PolarHBondContact O-ND2 2.84Å
175K82Confident79.4Confident142 Ų14298.6 Ų98.662%0.61751%0.51SS*.Hα-helixtrans-67.9-40.2174.8-71.9-169.6174.1-175.90111.6V172 F173 L179V172-K175 WeakPolarHBondContact O-CB 3.41Å; V172-K175 PolarHBondContact O-N 2.98Å; V172-K175 VanDerWaalsContact O-N 3.08Å; F173-K175 VanDerWaalsContact C-N 3.28Å; F173-K175 PolarHBondContact O-N 2.76Å; K175-L179 WeakPolarHBondContact O-CB 3.21Å; K175-L179 WeakPolarHBondContact O-CD1 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.25Å; K175-L179 PolarHBondContact O-N 2.85Å; K175-L179 VanDerWaalsContact O-N 3.16Å
176L78Confident78.4Confident105 Ų105101.5 Ų101.555%0.5552%0.515SS..Hα-helixtrans-67.3-39.1173.2-63.9178000112V172 F173 L179 S180V172-L176 HydrophobicContact CG1-CD1 3.73Å; V172-L176 HydrophobicContact CG1-CG 3.99Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.49Å; F173-L176 PolarHBondContact O-N 2.89Å; L176-L179 CarbonylContact O-C 3.54Å; L176-L179 PolarHBondContact O-N 3.01Å; L176-S180 PolarHBondContact O-N 2.77Å
177A70.7Confident77.4Confident40 Ų40100 Ų10033%0.33151%0.51SS..Hα-helixtrans-71-29.2178.200000113.7F173 P174 S180F173-A177 WeakPolarHBondContact O-CB 3.34Å; F173-A177 PolarHBondContact O-N 2.81Å; P174-A177 PolarHBondContact O-N 2.94Å; A177-S180 WeakPolarHBondContact CA-OG 3.42Å; A177-S180 PolarHBondContact O-OG 2.83Å
178N69.1Low76.3Confident124 Ų124100 Ų10066%0.66351%0.509SS*.Hα-helixtrans-76.1-26.1171.6-73-38.8000112.2P174P174-N178 WeakPolarHBondContact O-CB 3.19Å; P174-N178 PolarHBondContact O-N 2.87Å; P174-N178 PolarHBondContact O-ND2 2.84Å
179L60.6Low75.3Confident137 Ų13798 Ų9872%0.71750%0.502SS*.Hα-helixtrans-86.7-19.9176-70.7170.1000113K175 L176 D181K175-L179 WeakPolarHBondContact O-CB 3.21Å; K175-L179 WeakPolarHBondContact O-CD1 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.25Å; K175-L179 PolarHBondContact O-N 2.85Å; K175-L179 VanDerWaalsContact O-N 3.16Å; L176-L179 CarbonylContact O-C 3.54Å; L176-L179 PolarHBondContact O-N 3.01Å; L179-D181 PolarHBondContact O-N 2.95Å
180S62Low74.4Confident41 Ų4199.6 Ų99.629%0.28751%0.505SS..SBendtrans-69.8117.2171.254.50000109.3L176 A177L176-S180 PolarHBondContact O-N 2.77Å; A177-S180 WeakPolarHBondContact CA-OG 3.42Å; A177-S180 PolarHBondContact O-OG 2.83Å
181D66.1Low73.6Confident109 Ų10998.8 Ų98.858%0.58350%0.499SS*.  trans-38.9154.8-171.6-66.5-61.5000116.6L179 E183 V184 Q185L179-D181 PolarHBondContact O-N 2.95Å; D181-E183 PolarHBondContact O-N 3.09Å; D181-V184 PolarHBondContact O-N 3.21Å; D181-Q185 PolarHBondContact O-N 2.99Å
182P67.8Low72.6Confident82 Ų8299.5 Ų99.553%0.53250%0.5SS..Hα-helixtrans-54.4-18.9173.922.6-34.4000114R186P182-R186 WeakPolarHBondContact O-CG 3.13Å; P182-R186 PolarHBondContact O-N 3.34Å; P182-R186 VanDerWaalsContact O-N 3.1Å
183E70.2Confident71.7Confident134 Ų134102.8 Ų102.863%0.62651%0.512SS*.Hα-helixtrans-66.6-44.5170.6-74.5-171.3157.400112.7D181 Q185 R186 E187D181-E183 PolarHBondContact O-N 3.09Å; E183-Q185 VanDerWaalsContact C-N 3.3Å; E183-Q185 PolarHBondContact O-N 3.13Å; E183-R186 WeakPolarHBondContact O-CB 2.86Å; E183-R186 PolarHBondContact O-N 2.97Å; E183-R186 VanDerWaalsContact O-N 3.09Å; E183-E187 PolarHBondContact O-N 3.05Å
184V67Low70.8Confident53 Ų53102 Ų10232%0.32151%0.51SS..Hα-helixtrans-66.4-36.6177-178.60000110.5D181 R186 E187 I188D181-V184 PolarHBondContact O-N 3.21Å; V184-R186 VanDerWaalsContact C-N 3.29Å; V184-R186 PolarHBondContact O-N 3.35Å; V184-E187 PolarHBondContact O-N 3.24Å; V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 HydrophobicContact CG1-CG1 4.35Å; V184-I188 WeakPolarHBondContact O-CG1 3.09Å; V184-I188 PolarHBondContact O-N 3.05Å
185Q67Low70Confident87 Ų87101.4 Ų101.441%0.40751%0.51SS..Hα-helixtrans-62.3-37.9173.1-66.2-171.7-3.200112D181 E183 Q189D181-Q185 PolarHBondContact O-N 2.99Å; E183-Q185 VanDerWaalsContact C-N 3.3Å; E183-Q185 PolarHBondContact O-N 3.13Å; Q185-Q189 VanDerWaalsContact O-CB 3.25Å; Q185-Q189 WeakPolarHBondContact O-CB 2.99Å; Q185-Q189 WeakPolarHBondContact O-CG 3.41Å; Q185-Q189 PolarHBondContact O-N 3.28Å
186R71.4Confident68.9Low152 Ų152102.9 Ų102.957%0.57452%0.517SS*.Hα-helixtrans-67.4-40.8173.5-73.7174.2-174.6153.81.9111.5P182 E183 V184 Q189 Q190P182-R186 WeakPolarHBondContact O-CG 3.13Å; P182-R186 PolarHBondContact O-N 3.34Å; P182-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 WeakPolarHBondContact O-CB 2.86Å; E183-R186 PolarHBondContact O-N 2.97Å; E183-R186 VanDerWaalsContact O-N 3.09Å; V184-R186 VanDerWaalsContact C-N 3.29Å; V184-R186 PolarHBondContact O-N 3.35Å; R186-Q189 PolarHBondContact O-N 2.92Å; R186-Q190 WeakPolarHBondContact O-CB 3.35Å; R186-Q190 WeakPolarHBondContact O-CG 3.47Å; R186-Q190 PolarHBondContact O-N 2.81Å
187E72.7Confident68.2Low112 Ų112102.5 Ų102.552%0.52352%0.523SS..Hα-helixtrans-62.9-43.7175.4-70.2-175.4179.300111.9E183 V184 Q190 Q191E183-E187 PolarHBondContact O-N 3.05Å; V184-E187 PolarHBondContact O-N 3.24Å; E187-Q190 PolarHBondContact O-N 2.8Å; E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.2Å; E187-Q191 VanDerWaalsContact O-CG 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.39Å; E187-Q191 PolarHBondContact O-N 2.86Å
188I71.8Confident67.3Low81 Ų81110.4 Ų110.442%0.41554%0.544SS..Hα-helixtrans-67.2-41.4176.3-66.1168.9000110.7V184 Q191 Q192V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 HydrophobicContact CG1-CG1 4.35Å; V184-I188 WeakPolarHBondContact O-CG1 3.09Å; V184-I188 PolarHBondContact O-N 3.05Å; I188-Q191 CarbonylContact O-C 3.53Å; I188-Q191 PolarHBondContact O-N 3.18Å; I188-Q192 HydrophobicContact CG2-CG 4.31Å; I188-Q192 VanDerWaalsContact O-CB 3.26Å; I188-Q192 WeakPolarHBondContact O-CB 3.47Å; I188-Q192 VanDerWaalsContact O-CG 3.31Å; I188-Q192 WeakPolarHBondContact O-CG 3.38Å; I188-Q192 PolarHBondContact O-N 3.05Å
189Q74.2Confident66.7Low93 Ų93111.3 Ų111.344%0.43554%0.539SS..Hα-helixtrans-65.3-40.4175.8-76.317428.600111.4Q185 R186 Q192 Q193Q185-Q189 VanDerWaalsContact O-CB 3.25Å; Q185-Q189 WeakPolarHBondContact O-CB 2.99Å; Q185-Q189 WeakPolarHBondContact O-CG 3.41Å; Q185-Q189 PolarHBondContact O-N 3.28Å; R186-Q189 PolarHBondContact O-N 2.92Å; Q189-Q192 CarbonylContact O-C 3.58Å; Q189-Q192 PolarHBondContact O-N 3.19Å; Q189-Q193 VanDerWaalsContact O-CB 3.22Å; Q189-Q193 WeakPolarHBondContact O-CB 3.41Å; Q189-Q193 WeakPolarHBondContact O-CG 3.26Å; Q189-Q193 PolarHBondContact O-N 2.84Å
190Q74.1Confident66.2Low106 Ų106113.7 Ų113.750%0.49555%0.547SS..Hα-helixtrans-65.3-42.5174.1-75.71739.100110.8R186 E187 Q193 Q194R186-Q190 WeakPolarHBondContact O-CB 3.35Å; R186-Q190 WeakPolarHBondContact O-CG 3.47Å; R186-Q190 PolarHBondContact O-N 2.81Å; E187-Q190 PolarHBondContact O-N 2.8Å; Q190-Q193 PolarHBondContact O-N 3.38Å; Q190-Q194 WeakPolarHBondContact O-CB 3.46Å; Q190-Q194 WeakPolarHBondContact O-CG 3.45Å; Q190-Q194 PolarHBondContact O-N 3.08Å
191Q71.8Confident65.9Low123 Ų123115.7 Ų115.758%0.57556%0.557SS**Hα-helixtrans-66.3-35.8173.7-75.2178.69.500111.9E187 I188 A195E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.2Å; E187-Q191 VanDerWaalsContact O-CG 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.39Å; E187-Q191 PolarHBondContact O-N 2.86Å; I188-Q191 CarbonylContact O-C 3.53Å; I188-Q191 PolarHBondContact O-N 3.18Å; Q191-A195 WeakPolarHBondContact O-CA 3.47Å; Q191-A195 WeakPolarHBondContact O-CB 3.44Å; Q191-A195 PolarHBondContact O-N 2.74Å
192Q70.9Confident65.5Low121 Ų121114.1 Ų114.157%0.56555%0.552SS**Hα-helixtrans-71.7-33.9173.9-81.6-177.8-7.800112I188 Q189 K196I188-Q192 HydrophobicContact CG2-CG 4.31Å; I188-Q192 VanDerWaalsContact O-CB 3.26Å; I188-Q192 WeakPolarHBondContact O-CB 3.47Å; I188-Q192 VanDerWaalsContact O-CG 3.31Å; I188-Q192 WeakPolarHBondContact O-CG 3.38Å; I188-Q192 PolarHBondContact O-N 3.05Å; Q189-Q192 CarbonylContact O-C 3.58Å; Q189-Q192 PolarHBondContact O-N 3.19Å; Q192-K196 WeakPolarHBondContact O-CB 3.39Å; Q192-K196 WeakPolarHBondContact O-CG 3.42Å; Q192-K196 PolarHBondContact O-N 3.1Å
193Q70.1Confident65.4Low118 Ų118115.5 Ų115.555%0.55156%0.555SS**Hα-helixtrans-74.8-40.2175.1-75.2163.35.200110.9Q189 Q190 K196 S197Q189-Q193 VanDerWaalsContact O-CB 3.22Å; Q189-Q193 WeakPolarHBondContact O-CB 3.41Å; Q189-Q193 WeakPolarHBondContact O-CG 3.26Å; Q189-Q193 PolarHBondContact O-N 2.84Å; Q190-Q193 PolarHBondContact O-N 3.38Å; Q193-K196 PolarHBondContact O-N 2.89Å; Q193-S197 VanDerWaalsContact O-CB 3.32Å; Q193-S197 WeakPolarHBondContact O-CB 3.41Å; Q193-S197 PolarHBondContact O-N 3.03Å; Q193-S197 PolarHBondContact O-OG 2.86Å
194Q67.1Low65.2Low127 Ų127115.1 Ų115.159%0.59356%0.557SS**Hα-helixtrans-67.8-36.2171.4-75.8176.6-11.200111.2Q190 S197 R198Q190-Q194 WeakPolarHBondContact O-CB 3.46Å; Q190-Q194 WeakPolarHBondContact O-CG 3.45Å; Q190-Q194 PolarHBondContact O-N 3.08Å; Q194-S197 WeakPolarHBondContact CA-OG 3.04Å; Q194-S197 PolarHBondContact O-OG 2.86Å; Q194-R198 WeakPolarHBondContact O-CB 3.39Å; Q194-R198 PolarHBondContact O-N 2.98Å
195A65.6Low65.3Low42 Ų42115.7 Ų115.735%0.34756%0.563SS.*Hα-helixtrans-70.6-44.217200000110.4Q191 S197 R198 Y199Q191-A195 WeakPolarHBondContact O-CA 3.47Å; Q191-A195 WeakPolarHBondContact O-CB 3.44Å; Q191-A195 PolarHBondContact O-N 2.74Å; A195-S197 VanDerWaalsContact C-N 3.28Å; A195-S197 PolarHBondContact O-N 3.39Å; A195-R198 CarbonylContact O-C 3.59Å; A195-R198 PolarHBondContact O-N 3.02Å; A195-Y199 HydrophobicContact CB-CD2 4.38Å; A195-Y199 VanDerWaalsContact O-CA 3.29Å; A195-Y199 WeakPolarHBondContact O-CA 3.2Å; A195-Y199 WeakPolarHBondContact O-CB 3.4Å; A195-Y199 PolarHBondContact O-N 2.94Å
196K58.8Low65.5Low174 Ų174116 Ų11676%0.75757%0.567SS**Hα-helixtrans-60.7-36.4174-89.6-176.4173.4-177.30112.6Q192 Q193Q192-K196 WeakPolarHBondContact O-CB 3.39Å; Q192-K196 WeakPolarHBondContact O-CG 3.42Å; Q192-K196 PolarHBondContact O-N 3.1Å; Q193-K196 PolarHBondContact O-N 2.89Å
197S62.7Low65.6Low97 Ų97113.2 Ų113.268%0.67856%0.564SS**Hα-helixtrans-81-22.1177.466.50000113.2Q193 Q194 A195Q193-S197 VanDerWaalsContact O-CB 3.32Å; Q193-S197 WeakPolarHBondContact O-CB 3.41Å; Q193-S197 PolarHBondContact O-N 3.03Å; Q193-S197 PolarHBondContact O-OG 2.86Å; Q194-S197 WeakPolarHBondContact CA-OG 3.04Å; Q194-S197 PolarHBondContact O-OG 2.86Å; A195-S197 VanDerWaalsContact C-N 3.28Å; A195-S197 PolarHBondContact O-N 3.39Å
198R53.1Low65.6Low205 Ų205114.3 Ų114.377%0.77457%0.57SS**Hα-helixtrans-98.6-16.1177.5-157.4177-159.7-129.13.7113.9Q194 A195Q194-R198 WeakPolarHBondContact O-CB 3.39Å; Q194-R198 PolarHBondContact O-N 2.98Å; A195-R198 CarbonylContact O-C 3.59Å; A195-R198 PolarHBondContact O-N 3.02Å
199Y56.2Low65.7Low143 Ų143112.4 Ų112.456%0.56157%0.567SS**  trans-128.159.5-179-67.5-96.5000109.1A195 V201A195-Y199 HydrophobicContact CB-CD2 4.38Å; A195-Y199 VanDerWaalsContact O-CA 3.29Å; A195-Y199 WeakPolarHBondContact O-CA 3.2Å; A195-Y199 WeakPolarHBondContact O-CB 3.4Å; A195-Y199 PolarHBondContact O-N 2.94Å; Y199-V201 HydrophobicContact CD1-CB 4.38Å; Y199-V201 HydrophobicContact CD1-CG1 3.44Å; Y199-V201 VanDerWaalsContact CD1-CG1 3.44Å; Y199-V201 HydrophobicContact CD1-CG2 4.08Å; Y199-V201 HydrophobicContact CE1-CG1 4.27Å; Y199-V201 HydrophobicContact CG-CG1 4.23Å; Y199-V201 PolarHBondContact O-N 3.35Å
200E50.6Low65.8Low188 Ų188113.8 Ų113.888%0.87958%0.577SS**  trans-64.754.7136.7-156.7168.9-151.500107.8
201V55.2Low66.2Low83 Ų83119 Ų11950%0.50359%0.593SS.*PPolyproline II helixtrans-80128.3167.6-74.10000105.9Y199 D203Y199-V201 HydrophobicContact CD1-CB 4.38Å; Y199-V201 HydrophobicContact CD1-CG1 3.44Å; Y199-V201 VanDerWaalsContact CD1-CG1 3.44Å; Y199-V201 HydrophobicContact CD1-CG2 4.08Å; Y199-V201 HydrophobicContact CE1-CG1 4.27Å; Y199-V201 HydrophobicContact CG-CG1 4.23Å; Y199-V201 PolarHBondContact O-N 3.35Å; V201-D203 PolarHBondContact O-N 3.23Å
202P57.3Low66.7Low75 Ų75120 Ų12049%0.48760%0.601SS.*PPolyproline II helixtrans-46.8138.8177.1-25.232.7000109.6D206P202-D206 HydrophobicContact CB-CB 3.63Å
203D66.2Low66.5Low111 Ų111118.6 Ų118.659%0.59460%0.601SS**PPolyproline II helixtrans-47.5146.8-173.4-171.828.8000110V201 S205 D206 L207V201-D203 PolarHBondContact O-N 3.23Å; D203-S205 WeakPolarHBondContact CB-OG 3.43Å; D203-S205 VanDerWaalsContact CG-OG 3.27Å; D203-S205 CarbonylContact O-C 3.58Å; D203-S205 PolarHBondContact O-N 3.44Å; D203-S205 PolarHBondContact OD2-OG 3.1Å; D203-D206 WeakPolarHBondContact O-CA 3.47Å; D203-D206 WeakPolarHBondContact O-CB 3.42Å; D203-D206 PolarHBondContact O-N 2.85Å; D203-L207 PolarHBondContact O-N 3.47Å
204L65Low65.7Low127 Ų127116 Ų11667%0.66561%0.606SS**Hα-helixtrans-53.1-23.5-175.2-86.6144.9000112.8M208L204-M208 WeakPolarHBondContact O-CB 3.5Å; L204-M208 PolarHBondContact O-N 2.84Å
205S68.7Low64.9Low65 Ų65119 Ų11946%0.45562%0.617SS.*Hα-helixtrans-59.7-43.9168.351.70000113.5D203 A209D203-S205 WeakPolarHBondContact CB-OG 3.43Å; D203-S205 VanDerWaalsContact CG-OG 3.27Å; D203-S205 CarbonylContact O-C 3.58Å; D203-S205 PolarHBondContact O-N 3.44Å; D203-S205 PolarHBondContact OD2-OG 3.1Å; S205-A209 WeakPolarHBondContact O-CB 3.39Å; S205-A209 PolarHBondContact O-N 3.42Å
206D71.7Confident63.9Low92 Ų92128.6 Ų128.649%0.49264%0.644SS.*Hα-helixtrans-70-37176.3-76.6-23.5000112.2P202 D203 A209 D210P202-D206 HydrophobicContact CB-CB 3.63Å; D203-D206 WeakPolarHBondContact O-CA 3.47Å; D203-D206 WeakPolarHBondContact O-CB 3.42Å; D203-D206 PolarHBondContact O-N 2.85Å; D206-A209 PolarHBondContact O-N 2.83Å; D206-D210 WeakPolarHBondContact O-CB 3.44Å; D206-D210 PolarHBondContact O-N 3.19Å
207L74.5Confident63.2Low95 Ų95130.1 Ų130.150%0.49765%0.651SS.*Hα-helixtrans-70.6-40.1175.4-70.8175000112.2D203 A209 W211D203-L207 PolarHBondContact O-N 3.47Å; L207-A209 VanDerWaalsContact C-N 3.32Å; L207-W211 WeakPolarHBondContact O-CB 3.26Å; L207-W211 PolarHBondContact O-N 3.21Å
208M72Confident62.1Low134 Ų134131.3 Ų131.366%0.6666%0.659SS**Hα-helixtrans-65-38.8169.9-77.9-165.2-16800111L204 W211 L212L204-M208 WeakPolarHBondContact O-CB 3.5Å; L204-M208 PolarHBondContact O-N 2.84Å; M208-W211 PolarHBondContact O-N 3.1Å; M208-L212 WeakPolarHBondContact O-CB 3.49Å; M208-L212 PolarHBondContact O-N 2.85Å
209A74.3Confident61.2Low42 Ų42131.3 Ų131.335%0.34766%0.664SS.*Hα-helixtrans-66.2-43.9177.400000111.9S205 D206 L207 W211 L212 V213S205-A209 WeakPolarHBondContact O-CB 3.39Å; S205-A209 PolarHBondContact O-N 3.42Å; D206-A209 PolarHBondContact O-N 2.83Å; L207-A209 VanDerWaalsContact C-N 3.32Å; A209-W211 VanDerWaalsContact C-N 3.3Å; A209-W211 PolarHBondContact O-N 2.91Å; A209-L212 PolarHBondContact O-N 2.91Å; A209-V213 WeakPolarHBondContact O-CA 3.32Å; A209-V213 WeakPolarHBondContact O-CB 3.27Å; A209-V213 VanDerWaalsContact O-CG2 3.26Å; A209-V213 WeakPolarHBondContact O-CG2 3.29Å; A209-V213 PolarHBondContact O-N 2.8Å
210D76.8Confident60.5Low122 Ų122134.6 Ų134.665%0.65268%0.682SS**Hα-helixtrans-66-34.5177.2-113.77.9000111.7D206 G214D206-D210 WeakPolarHBondContact O-CB 3.44Å; D206-D210 PolarHBondContact O-N 3.19Å; D210-G214 PolarHBondContact O-N 3.44Å
211W82.5Confident59.7Low216 Ų216135.7 Ų135.782%0.81868%0.678SS**Hα-helixtrans-71-39.5172.8-174.475.6000112.6L207 M208 A209L207-W211 WeakPolarHBondContact O-CB 3.26Å; L207-W211 PolarHBondContact O-N 3.21Å; M208-W211 PolarHBondContact O-N 3.1Å; A209-W211 VanDerWaalsContact C-N 3.3Å; A209-W211 PolarHBondContact O-N 2.91Å
212L80.8Confident59.2Low143 Ų143141.8 Ų141.875%0.74970%0.697SS**Hα-helixtrans-75.9-29.5178.6-154.385.4000112.6M208 A209M208-L212 WeakPolarHBondContact O-CB 3.49Å; M208-L212 PolarHBondContact O-N 2.85Å; A209-L212 PolarHBondContact O-N 2.91Å
213V67.4Low58.6Low92 Ų92147.2 Ų147.256%0.55873%0.729SS**Hα-helixtrans-100.3-14.8-174.1175.90000113.2A209 K215A209-V213 WeakPolarHBondContact O-CA 3.32Å; A209-V213 WeakPolarHBondContact O-CB 3.27Å; A209-V213 VanDerWaalsContact O-CG2 3.26Å; A209-V213 WeakPolarHBondContact O-CG2 3.29Å; A209-V213 PolarHBondContact O-N 2.8Å; V213-K215 PolarHBondContact O-N 2.84Å
214G53.3Low58.2Low64 Ų64149 Ų14966%0.6674%0.736SS**  trans45.561.7163.400000115.2D210D210-G214 PolarHBondContact O-N 3.44Å
215K49.3Very low57.9Low189 Ų189150.2 Ų150.282%0.82274%0.74SS**  trans-104.8122.5-178.8-110.2176.8-176.1174.10114.4V213V213-K215 PolarHBondContact O-N 2.84Å
216R46.5Very low57.3Low244 Ų244154.9 Ų154.992%0.92176%0.756SS**  trans-71.1131.5-179.3-177.9173.8159.3146.6-5.3112S218R216-S218 PolarHBondContact O-N 3.15Å
217K42.5Very low56.4Low206 Ų206158.6 Ų158.690%0.89677%0.771SS**  trans-38.2128.4172-64179.2178.3178.40113.3
218S39.6Very low55.3Low122 Ų122162.6 Ų162.685%0.85379%0.789SS**  trans-118.1113.2157-172.30000110.2R216R216-S218 PolarHBondContact O-N 3.15Å
219K35.7Very low54.2Low204 Ų204164.5 Ų164.589%0.88780%0.797SS**  trans-69.9124179.8-170.2178.7-1711760108.8
220K39.8Very low52.8Low213 Ų213173.2 Ų173.293%0.92683%0.829SS**  trans-126.2119.3163.5-139.6176.5-173.8179.80111.8
221R34.8Very low50.9Low211 Ų211177.2 Ų177.280%0.79684%0.843SS**  trans-65139.6-177.2179-178.8177.4174.2-0.5112
222K45.1Very low48.3Very low210 Ų210173.9 Ų173.991%0.91385%0.845SS**  trans-138.793.2152.7-79.3-169.6178.1-178.80108.5
223T44.7Very low45.3Very low189 Ų189176.7 Ų176.7100%1.1685%0.854SS**  trans-122.80139.334.60000106.1

Retrieved 223 of 223 residues in 416.9 ms (Link to these results)