A0A061IF53_CRIGR Loading...

Chordin-like 2

AlphaFold DB , UniProt , Accession A0A061IF53, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 430 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
1M35.3Very low36.6Very low248 Ų248144.8 Ų144.8100%1.22282%0.816SS**  0109.30-106.7148.2156.500108.1
2V42.5Very low37.3Very low135 Ų135146.8 Ų146.882%0.81882%0.821SS**  trans-90.2148167.3-178.40000105
3P46.1Very low37.9Very low125 Ų125140.6 Ų140.681%0.81281%0.811SS**  cis-140.1170.248.925.12000113.8
4G31.7Very low38.4Very low65 Ų65142.9 Ų142.967%0.6782%0.818SS**  cis120.7134.928.400000107.8
5V32.3Very low39.3Very low130 Ų130142.1 Ų142.179%0.78882%0.816SS**  trans167.7100.9147.1159.20000108.8
6R33.6Very low39.9Very low228 Ų228141.9 Ų141.986%0.8681%0.808SS**  86.893.6102.8-64.9-172.6-178.1-167-0.3116.4
7I37.2Very low40.4Very low156 Ų156143.8 Ų143.880%0.881%0.805SS**  25.7123.3111.9-67.8176000120
8L35.3Very low40.3Very low157 Ų157150 Ų15082%0.82281%0.814SS**  trans70.5119.9143.6-97.483.8000124
9S33.8Very low39.9Very low106 Ų106152.9 Ų152.974%0.74182%0.819SS**  87.7130.6116-1560000121.4
10S35.6Very low39.8Very low94 Ų94151.2 Ų151.266%0.65782%0.816SS**  trans106.497.6136.5-149.80000118.4
11L39.9Very low39.7Very low149 Ų149151 Ų15178%0.7881%0.814SS**  60.9121.6125.5-72.9155.9000120.6
12L44.1Very low39.8Very low168 Ų168145.9 Ų145.988%0.8879%0.791SS**  trans108.1107.3130.2-125.184.7000116.1
13G45.1Very low39.7Very low67 Ų67143.5 Ų143.569%0.69178%0.781SS**  trans14277.7158.700000113.9
14L45.3Very low39.5Very low173 Ų173143.8 Ų143.891%0.90677%0.772SS**  171.196.7121.4-104.6116.8000108.3M16L14-M16 PolarHBondContact O-N 3.35Å
15V51.8Low39.6Very low131 Ų131144.9 Ų144.979%0.79477%0.774SS**  trans-55.7126.6151.2175.90000106.5
16M49.8Very low39.9Very low139 Ų139148.5 Ų148.569%0.68577%0.774SS**  trans146.4130146-75-62.1-87.100109.8L14L14-M16 PolarHBondContact O-N 3.35Å
17F47Very low40.1Very low174 Ų174141.9 Ų141.976%0.76377%0.768SS**SBendtrans99.336.6161.4-66-75.6000121.9
18W38.8Very low40.7Very low255 Ų255145.2 Ų145.297%0.96677%0.77SS**  trans-140.866.4150.8-75.377.1000111.5
19F33.5Very low41.7Very low206 Ų206143.5 Ų143.590%0.90477%0.769SS**  trans-115.7109.7150.8-83.3-80000106.3L21F19-L21 PolarHBondContact O-N 2.79Å; F19-L21 VanDerWaalsContact O-N 3.13Å
20P36.8Very low43.1Very low117 Ų117141.1 Ų141.176%0.7676%0.76SS**  trans-63.7119.5158.528.8-26.8000105D22P20-D22 VanDerWaalsContact C-N 3.3Å; P20-D22 PolarHBondContact O-N 3.33Å
21L39.3Very low45.1Very low149 Ų149142.5 Ų142.578%0.7876%0.755SS**  trans-45.197.1167.6-170.269.9000107.6F19 S23F19-L21 PolarHBondContact O-N 2.79Å; F19-L21 VanDerWaalsContact O-N 3.13Å; L21-S23 PolarHBondContact O-N 2.03Å; L21-S23 PolarHBondContact O-OG 3.4Å
22D36Very low47.2Very low139 Ų139138.7 Ų138.774%0.74374%0.737SS**  trans-64.286.3163.5-167.814.8000104.6P20 Q24P20-D22 VanDerWaalsContact C-N 3.3Å; P20-D22 PolarHBondContact O-N 3.33Å; D22-Q24 PolarHBondContact O-N 3.03Å
23S40.6Very low49.3Very low86 Ų86130.7 Ų130.760%0.60170%0.696SS**  trans-67.578.3164.4-58.10000103.6L21 A25L21-S23 PolarHBondContact O-N 2.03Å; L21-S23 PolarHBondContact O-OG 3.4Å; S23-A25 PolarHBondContact O-N 3.5Å
24Q42.7Very low51.3Low131 Ų131133.2 Ų133.261%0.61269%0.693SS**  trans-61.380.4156.6-167176.574.600104.2D22 R26D22-Q24 PolarHBondContact O-N 3.03Å; Q24-R26 PolarHBondContact O-N 3Å
25A33.8Very low53.1Low88 Ų88127.7 Ų127.773%0.72766%0.661SS**  trans-54.192.5151.500000102.5S23 A27S23-A25 PolarHBondContact O-N 3.5Å; A25-A27 PolarHBondContact O-N 2.93Å
26R38.6Very low54.6Low206 Ų206125 Ų12578%0.77766%0.66SS**  trans-59.391.6169.9-167.5160.4-70.8177.3-1.4102.9Q24 R28Q24-R26 PolarHBondContact O-N 3Å; R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 2.94Å
27A36.4Very low56Low89 Ų89128.2 Ų128.274%0.73667%0.673SS**  trans-55.8106.1175.600000103.6A25A25-A27 PolarHBondContact O-N 2.93Å
28R49.9Very low57.7Low226 Ų226126.3 Ų126.385%0.85367%0.665SS**  trans-45128.3172.9-136.5-176.8-69.8-132.31.9105R26 G30R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 2.94Å; R28-G30 PolarHBondContact O-N 3.18Å
29P56.9Low59.9Low121 Ų121119.8 Ų119.879%0.78665%0.647SS**  trans-54.2107.8179.519.2-29.2000106.8K31P29-K31 PolarHBondContact O-N 3.29Å
30G63.2Low62.4Low55 Ų55111 Ų11157%0.56761%0.609SS**  trans-60.3123.4-175.500000106.3R28 V32R28-G30 PolarHBondContact O-N 3.18Å; G30-V32 PolarHBondContact O-N 2.65Å
31K77.4Confident64.9Low123 Ų123109.3 Ų109.354%0.53560%0.596SS.*  trans-66.6101.5177.8-64.4-170.3179.8-172.30107.3P29 P42 I66P29-K31 PolarHBondContact O-N 3.29Å; K31-P42 WeakPolarHBondContact O-CD 3.05Å; K31-P42 WeakPolarHBondContact O-CG 3.39Å; K31-I66 VanDerWaalsContact CD-O 3.27Å; K31-I66 WeakPolarHBondContact CD-O 3.49Å
32V85.2Confident67.3Low69 Ų69104.1 Ų104.142%0.41857%0.572SS.*PPolyproline II helixtrans-90.9149.7178-67.60000110G30 I39 Y40G30-V32 PolarHBondContact O-N 2.65Å; V32-I39 HydrophobicContact CB-CG2 3.68Å; V32-I39 HydrophobicContact CG1-CG2 4.11Å; V32-I39 HydrophobicContact CG2-CG2 3.77Å; V32-Y40 CarbonylContact C-O 3.58Å; V32-Y40 WeakPolarHBondContact CA-O 3.05Å; V32-Y40 WeakPolarHBondContact CB-O 3.49Å
33C86.8Confident69.7Low1 Ų1100.1 Ų100.11%0.00756%0.563CS.*EExtended strand (participates in β ladder)trans-96.1136.1173.3-57.90000110.3Y40 C63 G67 H68 V69C33-Y40 PolarHBondContact N-O 2.71Å; C33-Y40 PolarHBondContact O-N 2.04Å; C33-C63 HydrophobicContact CB-CB 3.68Å; C33-C63 WeakPolarHBondContact CB-SG 3.11Å; C33-C63 PolarHBondContact N-SG 2.91Å; C33-C63 VanDerWaalsContact N-SG 3.44Å; C33-C63 WeakPolarHBondContact SG-CA 2.96Å; C33-C63 WeakPolarHBondContact SG-CB 2.99Å; C33-C63 CovalentContact SG-SG 2.03Å; C33-C63 PolarHBondContact SG-SG 2.82Å; C33-G67 PolarHBondContact SG-O 3.2Å; C33-H68 VanDerWaalsContact SG-C 3.55Å; C33-V69 HydrophobicContact CB-CG2 3.64Å
34L87.4Confident71.8Confident120 Ų12099.9 Ų99.963%0.62855%0.552SS**EExtended strand (participates in β ladder)trans-103.9127.7172.5-60.5175.5000108.9I39L34-I39 HydrophobicContact CD2-CB 4.11Å; L34-I39 HydrophobicContact CD2-CD1 4.13Å; L34-I39 HydrophobicContact CD2-CG1 3.58Å; L34-I39 HydrophobicContact CD2-CG2 4.07Å
35F83Confident74Confident56 Ų5696.4 Ų96.425%0.24654%0.543CS..EExtended strand (participates in β ladder)trans-139.7109.6174.8-174-87000109.4K38 Y40 W46 P48 V69F35-K38 PolarHBondContact N-O 3.34Å; F35-K38 PolarHBondContact O-N 2.83Å; F35-Y40 HydrophobicContact CB-CD2 4.16Å; F35-Y40 HydrophobicContact CB-CE2 3.8Å; F35-W46 HydrophobicContact CB-CZ2 3.69Å; F35-W46 AromaticContact CD1-NE1 3.58Å; F35-W46 HydrophobicContact CD2-CZ2 4.33Å; F35-W46 AromaticContact CG-CZ2 3.93Å; F35-W46 HydrophobicContact CG-CZ2 3.93Å; F35-W46 AromaticContact CG-NE1 3.87Å; F35-P48 HydrophobicContact CD1-CB 4.5Å; F35-P48 HydrophobicContact CE1-CB 3.39Å; F35-P48 HydrophobicContact CZ-CB 3.45Å; F35-P48 VanDerWaalsContact CZ-CB 3.45Å; F35-V69 HydrophobicContact CB-CG2 4.32Å; F35-V69 HydrophobicContact CD2-CG1 3.99Å; F35-V69 HydrophobicContact CD2-CG2 4.46Å
36G82.9Confident76.7Confident74 Ų7493.2 Ų93.276%0.76351%0.512SS*.THydrogen-bonded Turntrans62.7-134-164.800000110.8K38G36-K38 VanDerWaalsContact C-N 3.31Å
37E80.8Confident79Confident208 Ų20886.8 Ų86.897%0.97249%0.49SS*.THydrogen-bonded Turntrans-899.7175.9-58.9-172.7145.500113.7
38K81.3Confident81.5Confident134 Ų13482.8 Ų82.858%0.58346%0.457SS*.EExtended strand (participates in β ladder)trans-110.6140.2-174.1-67.5-179.3-178.3176.30112.2F35 G36 Y40F35-K38 PolarHBondContact N-O 3.34Å; F35-K38 PolarHBondContact O-N 2.83Å; G36-K38 VanDerWaalsContact C-N 3.31Å; K38-Y40 HydrophobicContact CB-CD2 4.46Å; K38-Y40 HydrophobicContact CB-CE2 3.57Å
39I86.2Confident83.1Confident117 Ų11778.4 Ų78.460%0.644%0.442SS*.EExtended strand (participates in β ladder)trans-102.5132177.8-45.7-171.1000109.1V32 L34V32-I39 HydrophobicContact CB-CG2 3.68Å; V32-I39 HydrophobicContact CG1-CG2 4.11Å; V32-I39 HydrophobicContact CG2-CG2 3.77Å; L34-I39 HydrophobicContact CD2-CB 4.11Å; L34-I39 HydrophobicContact CD2-CD1 4.13Å; L34-I39 HydrophobicContact CD2-CG1 3.58Å; L34-I39 HydrophobicContact CD2-CG2 4.07Å
40Y84.4Confident84.1Confident22 Ų2276.4 Ų76.49%0.08642%0.424CS..EExtended strand (participates in β ladder)trans-122.5137.6-178.3-62.2-89.7000111V32 C33 F35 K38 Q44 W46V32-Y40 CarbonylContact C-O 3.58Å; V32-Y40 WeakPolarHBondContact CA-O 3.05Å; V32-Y40 WeakPolarHBondContact CB-O 3.49Å; C33-Y40 PolarHBondContact N-O 2.71Å; C33-Y40 PolarHBondContact O-N 2.04Å; F35-Y40 HydrophobicContact CB-CD2 4.16Å; F35-Y40 HydrophobicContact CB-CE2 3.8Å; K38-Y40 HydrophobicContact CB-CD2 4.46Å; K38-Y40 HydrophobicContact CB-CE2 3.57Å; Y40-Q44 VanDerWaalsContact CA-OE1 3.26Å; Y40-Q44 HydrophobicContact CD1-CG 4.13Å; Y40-W46 AromaticContact CD1-CD2 3.54Å; Y40-W46 HydrophobicContact CD1-CD2 3.54Å; Y40-W46 AromaticContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CG 4.12Å; Y40-W46 HydrophobicContact CD1-CH2 4.16Å; Y40-W46 HydrophobicContact CD1-CZ2 4.4Å; Y40-W46 AromaticContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD2-CD2 4.3Å; Y40-W46 HydrophobicContact CD2-CE3 4.33Å; Y40-W46 AromaticContact CD2-CH2 3.82Å; Y40-W46 HydrophobicContact CD2-CH2 3.82Å; Y40-W46 AromaticContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ3 4.09Å; Y40-W46 HydrophobicContact CE1-CB 3.78Å; Y40-W46 AromaticContact CE1-CD1 3.91Å; Y40-W46 AromaticContact CE1-CD2 3.27Å; Y40-W46 HydrophobicContact CE1-CD2 3.27Å; Y40-W46 AromaticContact CE1-CE2 3.8Å; Y40-W46 AromaticContact CE1-CE3 3.53Å; Y40-W46 HydrophobicContact CE1-CE3 3.53Å; Y40-W46 AromaticContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CZ2 4.48Å; Y40-W46 HydrophobicContact CE1-CZ3 4.22Å; Y40-W46 HydrophobicContact CE2-CD2 4.1Å; Y40-W46 AromaticContact CE2-CE2 3.71Å; Y40-W46 HydrophobicContact CE2-CH2 4.37Å; Y40-W46 AromaticContact CE2-CZ2 3.88Å; Y40-W46 HydrophobicContact CE2-CZ2 3.88Å; Y40-W46 AromaticContact CE2-NE1 3.95Å; Y40-W46 HydrophobicContact CG-CD2 4.05Å; Y40-W46 AromaticContact CG-CE3 3.69Å; Y40-W46 HydrophobicContact CG-CE3 3.69Å; Y40-W46 AromaticContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CZ2 4.06Å; Y40-W46 AromaticContact CG-CZ3 3.5Å; Y40-W46 HydrophobicContact CG-CZ3 3.5Å; Y40-W46 AromaticContact CZ-CD1 3.65Å; Y40-W46 AromaticContact CZ-CD2 3.57Å; Y40-W46 AromaticContact CZ-CE2 3.58Å; Y40-W46 AromaticContact CZ-CG 3.63Å; Y40-W46 AromaticContact CZ-NE1 3.61Å
41T90Very high84.4Confident81 Ų8181.4 Ų81.450%0.49743%0.433SS..  trans-82.5153.7174.654.40000111G43 Q44 C63T41-G43 PolarHBondContact O-N 3.22Å; T41-Q44 WeakPolarHBondContact O-CB 3.31Å; T41-Q44 PolarHBondContact O-N 2.05Å; T41-Q44 PolarHBondContact OG1-OE1 3.45Å; T41-C63 VanDerWaalsContact O-CB 3.25Å; T41-C63 WeakPolarHBondContact O-CB 3.41Å
42P90.3Very high83.8Confident41 Ų4181.3 Ų81.327%0.26644%0.444SS..THydrogen-bonded Turntrans-48.3137.1171.1-32.238.6000113.2K31 Q44 E65K31-P42 WeakPolarHBondContact O-CD 3.05Å; K31-P42 WeakPolarHBondContact O-CG 3.39Å; P42-Q44 PolarHBondContact O-N 3.03Å; P42-E65 WeakPolarHBondContact CB-OE2 3.34Å
43G85.6Confident82.7Confident55 Ų5585 Ų8557%0.56746%0.457SS*.THydrogen-bonded Turntrans82.4-14.9-176.100000114.7T41 C63T41-G43 PolarHBondContact O-N 3.22Å; G43-C63 PolarHBondContact N-O 3.35Å
44Q85.4Confident82.3Confident80 Ų8085.7 Ų85.737%0.37446%0.464SS..  trans-69.1134.9179.4-164176.12.400111Y40 T41 P42 W46 T62 C63Y40-Q44 VanDerWaalsContact CA-OE1 3.26Å; Y40-Q44 HydrophobicContact CD1-CG 4.13Å; T41-Q44 WeakPolarHBondContact O-CB 3.31Å; T41-Q44 PolarHBondContact O-N 2.05Å; T41-Q44 PolarHBondContact OG1-OE1 3.45Å; P42-Q44 PolarHBondContact O-N 3.03Å; Q44-W46 WeakPolarHBondContact O-CZ3 2.98Å; Q44-T62 CarbonylContact O-C 3.6Å; Q44-T62 WeakPolarHBondContact O-CA 3.24Å; Q44-C63 PolarHBondContact O-N 2.91Å
45S88.9Confident81.8Confident59 Ų5982.5 Ų82.541%0.41345%0.45SS..EExtended strand (participates in β ladder)trans-119.1139.5177.7770000112.1C61S45-C61 CarbonylContact C-O 3.54Å; S45-C61 WeakPolarHBondContact CA-O 3.08Å
46W90.9Very high81.8Confident21 Ų2181.9 Ų81.98%0.0845%0.449CS..EExtended strand (participates in β ladder)trans-148.7167.4-178.568.599.8000113.1F35 Y40 Q44 C61 C63 V69F35-W46 HydrophobicContact CB-CZ2 3.69Å; F35-W46 AromaticContact CD1-NE1 3.58Å; F35-W46 HydrophobicContact CD2-CZ2 4.33Å; F35-W46 AromaticContact CG-CZ2 3.93Å; F35-W46 HydrophobicContact CG-CZ2 3.93Å; F35-W46 AromaticContact CG-NE1 3.87Å; Y40-W46 AromaticContact CD1-CD2 3.54Å; Y40-W46 HydrophobicContact CD1-CD2 3.54Å; Y40-W46 AromaticContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CG 4.12Å; Y40-W46 HydrophobicContact CD1-CH2 4.16Å; Y40-W46 HydrophobicContact CD1-CZ2 4.4Å; Y40-W46 AromaticContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD2-CD2 4.3Å; Y40-W46 HydrophobicContact CD2-CE3 4.33Å; Y40-W46 AromaticContact CD2-CH2 3.82Å; Y40-W46 HydrophobicContact CD2-CH2 3.82Å; Y40-W46 AromaticContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ3 4.09Å; Y40-W46 HydrophobicContact CE1-CB 3.78Å; Y40-W46 AromaticContact CE1-CD1 3.91Å; Y40-W46 AromaticContact CE1-CD2 3.27Å; Y40-W46 HydrophobicContact CE1-CD2 3.27Å; Y40-W46 AromaticContact CE1-CE2 3.8Å; Y40-W46 AromaticContact CE1-CE3 3.53Å; Y40-W46 HydrophobicContact CE1-CE3 3.53Å; Y40-W46 AromaticContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CZ2 4.48Å; Y40-W46 HydrophobicContact CE1-CZ3 4.22Å; Y40-W46 HydrophobicContact CE2-CD2 4.1Å; Y40-W46 AromaticContact CE2-CE2 3.71Å; Y40-W46 HydrophobicContact CE2-CH2 4.37Å; Y40-W46 AromaticContact CE2-CZ2 3.88Å; Y40-W46 HydrophobicContact CE2-CZ2 3.88Å; Y40-W46 AromaticContact CE2-NE1 3.95Å; Y40-W46 HydrophobicContact CG-CD2 4.05Å; Y40-W46 AromaticContact CG-CE3 3.69Å; Y40-W46 HydrophobicContact CG-CE3 3.69Å; Y40-W46 AromaticContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CZ2 4.06Å; Y40-W46 AromaticContact CG-CZ3 3.5Å; Y40-W46 HydrophobicContact CG-CZ3 3.5Å; Y40-W46 AromaticContact CZ-CD1 3.65Å; Y40-W46 AromaticContact CZ-CD2 3.57Å; Y40-W46 AromaticContact CZ-CE2 3.58Å; Y40-W46 AromaticContact CZ-CG 3.63Å; Y40-W46 AromaticContact CZ-NE1 3.61Å; Q44-W46 WeakPolarHBondContact O-CZ3 2.98Å; W46-C61 HydrophobicContact CD2-CB 3.9Å; W46-C61 VanDerWaalsContact CE2-CB 3.48Å; W46-C61 HydrophobicContact CE3-CB 4.4Å; W46-C61 HydrophobicContact CG-CB 4.41Å; W46-C61 HydrophobicContact CH2-CB 4.19Å; W46-C61 HydrophobicContact CZ2-CB 3.64Å; W46-C61 PolarHBondContact N-O 3.37Å; W46-C61 PolarHBondContact O-N 3.25Å; W46-C63 HydrophobicContact CH2-CB 4.26Å; W46-C63 HydrophobicContact CZ3-CB 3.94Å; W46-V69 HydrophobicContact CH2-CB 4.42Å; W46-V69 HydrophobicContact CH2-CG1 3.78Å; W46-V69 HydrophobicContact CH2-CG2 4.01Å; W46-V69 HydrophobicContact CZ2-CB 4.5Å; W46-V69 HydrophobicContact CZ2-CG1 3.57Å; W46-V69 HydrophobicContact CZ2-CG2 4.12Å
47H87Confident81.8Confident70 Ų7081.6 Ų81.632%0.32443%0.425SS..PPolyproline II helixtrans-98.1128.3168.1-63.9-66.8000109.7T55 Y57 V59H47-T55 HydrophobicContact CB-CG2 3.72Å; H47-Y57 HydrophobicContact CB-CD1 4.5Å; H47-Y57 AromaticContact CD2-CD1 3.93Å; H47-Y57 PolarHBondContact CE1-O 3.41Å; H47-Y57 PolarHBondContact ND1-O 2.85Å; H47-Y57 VanDerWaalsContact ND1-O 3.14Å; H47-V59 PolarHBondContact ND1-O 3.17Å
48P87.2Confident82.1Confident6 Ų673.5 Ų73.54%0.03939%0.391CS..PPolyproline II helixtrans-73.4144-176.930.8-34.6000111.3F35 I56 V59F35-P48 HydrophobicContact CD1-CB 4.5Å; F35-P48 HydrophobicContact CE1-CB 3.39Å; F35-P48 HydrophobicContact CZ-CB 3.45Å; F35-P48 VanDerWaalsContact CZ-CB 3.45Å; P48-I56 PolarHBondContact O-N 3.5Å; P48-V59 WeakPolarHBondContact CD-O 3.49Å; P48-V59 HydrophobicContact CG-CB 3.95Å; P48-V59 HydrophobicContact CG-CG1 3.81Å
49Y84.3Confident82.4Confident134 Ų13468.9 Ų68.953%0.52537%0.374SS..EExtended strand (participates in β ladder)trans-99.2122.1169.7180-87.1000108.4
50L77.5Confident82.5Confident78 Ų7868 Ų6841%0.40836%0.363SS..EExtended strand (participates in β ladder)trans-124.6126.6177.7-60.1-177.4000109.1Q53 G54 I56L50-Q53 CarbonylContact O-C 3.55Å; L50-Q53 WeakPolarHBondContact O-CA 3.31Å; L50-Q53 PolarHBondContact O-N 2.77Å; L50-G54 PolarHBondContact N-O 3.18Å; L50-G54 PolarHBondContact O-N 3.44Å; L50-I56 HydrophobicContact CB-CD1 4.16Å; L50-I56 HydrophobicContact CD1-CD1 3.54Å; L50-I56 HydrophobicContact CG-CD1 3.97Å
51E69.2Low82.7Confident161 Ų16166.9 Ų66.975%0.75236%0.359SS*.THydrogen-bonded Turntrans-83.1137.6178.3-151.2166.5140.900110.2
52P64.7Low82.8Confident121 Ų12164.5 Ų64.579%0.78634%0.344SS*.THydrogen-bonded Turncis-88.54.43.836.2-36.8000115.1G54P52-G54 PolarHBondContact O-N 2.71Å
53Q62.6Low82.8Confident145 Ų14562.7 Ų62.768%0.67833%0.332SS*.THydrogen-bonded Turntrans-79.1-16.3-165.6-63.2159.13100114.2L50L50-Q53 CarbonylContact O-C 3.55Å; L50-Q53 WeakPolarHBondContact O-CA 3.31Å; L50-Q53 PolarHBondContact O-N 2.77Å
54G78.1Confident83Confident16 Ų1662.1 Ų62.117%0.16532%0.318CS..EExtended strand (participates in β ladder)trans80-156.3-17800000113.4L50 P52L50-G54 PolarHBondContact N-O 3.18Å; L50-G54 PolarHBondContact O-N 3.44Å; P52-G54 PolarHBondContact O-N 2.71Å
55T78.3Confident83Confident53 Ų5365.2 Ų65.233%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-75.8123.7-179.6-54.40000111.4H47 Y57H47-T55 HydrophobicContact CB-CG2 3.72Å; T55-Y57 HydrophobicContact CG2-CD1 4.26Å; T55-Y57 HydrophobicContact CG2-CE1 3.8Å; T55-Y57 HydrophobicContact CG2-CE2 4.09Å; T55-Y57 WeakPolarHBondContact O-CD2 3.02Å; T55-Y57 WeakPolarHBondContact O-CE2 3.33Å; T55-Y57 PolarHBondContact O-N 2.97Å
56I81.6Confident82.8Confident43 Ų4368.6 Ų68.622%0.22134%0.344CS..  trans-96.593.2-178.2-55.1173.6000110.1P48 L50 C58 V59P48-I56 PolarHBondContact O-N 3.5Å; L50-I56 HydrophobicContact CB-CD1 4.16Å; L50-I56 HydrophobicContact CD1-CD1 3.54Å; L50-I56 HydrophobicContact CG-CD1 3.97Å; I56-C58 PolarHBondContact O-N 3.08Å; I56-C58 VanDerWaalsContact O-N 3.15Å; I56-V59 HydrophobicContact CG2-CB 4.32Å; I56-V59 HydrophobicContact CG2-CG2 3.92Å; I56-V59 PolarHBondContact O-N 2.84Å; I56-V59 VanDerWaalsContact O-N 3.16Å
57Y84.1Confident82.3Confident69 Ų6968.8 Ų68.827%0.27135%0.353SS..THydrogen-bonded Turntrans-65-18.2-177.3-61.5-79.9000114.3H47 T55 V59 Q89 C91H47-Y57 HydrophobicContact CB-CD1 4.5Å; H47-Y57 AromaticContact CD2-CD1 3.93Å; H47-Y57 PolarHBondContact CE1-O 3.41Å; H47-Y57 PolarHBondContact ND1-O 2.85Å; H47-Y57 VanDerWaalsContact ND1-O 3.14Å; T55-Y57 HydrophobicContact CG2-CD1 4.26Å; T55-Y57 HydrophobicContact CG2-CE1 3.8Å; T55-Y57 HydrophobicContact CG2-CE2 4.09Å; T55-Y57 WeakPolarHBondContact O-CD2 3.02Å; T55-Y57 WeakPolarHBondContact O-CE2 3.33Å; T55-Y57 PolarHBondContact O-N 2.97Å; Y57-V59 VanDerWaalsContact C-N 3.34Å; Y57-Q89 HydrophobicContact CD1-CB 4.16Å; Y57-Q89 WeakPolarHBondContact CD1-O 3.35Å; Y57-Q89 HydrophobicContact CE1-CB 3.61Å; Y57-Q89 HydrophobicContact CE1-CG 4.2Å; Y57-Q89 HydrophobicContact CE2-CB 4.25Å; Y57-Q89 HydrophobicContact CE2-CG 4.41Å; Y57-C91 WeakPolarHBondContact O-CB 3.14Å
58C86.2Confident82.2Confident38 Ų3871.6 Ų71.626%0.25737%0.366SS..THydrogen-bonded Turntrans-85.81.4176.6-75.60000115.6I56 R73 L74 C91I56-C58 PolarHBondContact O-N 3.08Å; I56-C58 VanDerWaalsContact O-N 3.15Å; C58-R73 WeakPolarHBondContact O-CA 3.34Å; C58-L74 PolarHBondContact O-N 2.04Å; C58-C91 WeakPolarHBondContact CA-SG 3.21Å; C58-C91 HydrophobicContact CB-CB 3.94Å; C58-C91 WeakPolarHBondContact CB-SG 3.49Å; C58-C91 WeakPolarHBondContact SG-CA 3.41Å; C58-C91 WeakPolarHBondContact SG-CB 3.31Å; C58-C91 PolarHBondContact SG-O 2.77Å; C58-C91 CovalentContact SG-SG 2.05Å; C58-C91 PolarHBondContact SG-SG 2.81Å
59V87.1Confident82.3Confident37 Ų3772.8 Ų72.822%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-116.3130171.3176.90000107.7H47 P48 I56 Y57 C71H47-V59 PolarHBondContact ND1-O 3.17Å; P48-V59 WeakPolarHBondContact CD-O 3.49Å; P48-V59 HydrophobicContact CG-CB 3.95Å; P48-V59 HydrophobicContact CG-CG1 3.81Å; I56-V59 HydrophobicContact CG2-CB 4.32Å; I56-V59 HydrophobicContact CG2-CG2 3.92Å; I56-V59 PolarHBondContact O-N 2.84Å; I56-V59 VanDerWaalsContact O-N 3.16Å; Y57-V59 VanDerWaalsContact C-N 3.34Å; V59-C71 HydrophobicContact CG1-CB 4.12Å
60R89.4Confident82.6Confident97 Ų9770.4 Ų70.437%0.36637%0.369SS..EExtended strand (participates in β ladder)trans-114.8123.1172.4-170.2164.676.6147.9-3.3109C71 Y72 L74R60-C71 WeakPolarHBondContact O-CA 3.2Å; R60-Y72 HydrophobicContact CB-CE2 4.22Å; R60-Y72 PolarHBondContact N-O 2.94Å; R60-Y72 PolarHBondContact NE-OH 3.14Å; R60-Y72 PolarHBondContact NH2-OH 3.33Å; R60-Y72 PolarHBondContact O-N 3.48Å; R60-L74 HydrophobicContact CB-CD2 4.16Å; R60-L74 HydrophobicContact CB-CG 4.39Å
61C88.6Confident83.3Confident0 Ų069.2 Ų69.20%037%0.367CS..EExtended strand (participates in β ladder)trans-103.3142.3173.6-62.10000109.5S45 W46 V69 N70 C71S45-C61 CarbonylContact C-O 3.54Å; S45-C61 WeakPolarHBondContact CA-O 3.08Å; W46-C61 HydrophobicContact CD2-CB 3.9Å; W46-C61 VanDerWaalsContact CE2-CB 3.48Å; W46-C61 HydrophobicContact CE3-CB 4.4Å; W46-C61 HydrophobicContact CG-CB 4.41Å; W46-C61 HydrophobicContact CH2-CB 4.19Å; W46-C61 HydrophobicContact CZ2-CB 3.64Å; W46-C61 PolarHBondContact N-O 3.37Å; W46-C61 PolarHBondContact O-N 3.25Å; C61-V69 HydrophobicContact CB-CG1 4Å; C61-N70 CarbonylContact C-O 3.54Å; C61-N70 VanDerWaalsContact CA-O 3.32Å; C61-N70 WeakPolarHBondContact CA-O 3.08Å; C61-C71 HydrophobicContact CB-CB 4.12Å; C61-C71 WeakPolarHBondContact CB-SG 3.34Å; C61-C71 WeakPolarHBondContact SG-CB 3.05Å; C61-C71 CovalentContact SG-SG 2.04Å; C61-C71 PolarHBondContact SG-SG 3.47Å
62T92.3Very high84.1Confident30 Ų3065.6 Ų65.618%0.18435%0.347CS..EExtended strand (participates in β ladder)trans-132.8132.4178.449.60000109.7Q44 T64 N70Q44-T62 CarbonylContact O-C 3.6Å; Q44-T62 WeakPolarHBondContact O-CA 3.24Å; T62-T64 PolarHBondContact O-N 3.28Å; T62-N70 PolarHBondContact N-O 3.46Å; T62-N70 PolarHBondContact O-N 3.4Å; T62-N70 PolarHBondContact OG1-O 2.95Å
63C90.4Very high85.1Confident3 Ų369.6 Ų69.62%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-78.9119.8172.3-176.60000109.3C33 T41 G43 Q44 W46C33-C63 HydrophobicContact CB-CB 3.68Å; C33-C63 WeakPolarHBondContact CB-SG 3.11Å; C33-C63 PolarHBondContact N-SG 2.91Å; C33-C63 VanDerWaalsContact N-SG 3.44Å; C33-C63 WeakPolarHBondContact SG-CA 2.96Å; C33-C63 WeakPolarHBondContact SG-CB 2.99Å; C33-C63 CovalentContact SG-SG 2.03Å; C33-C63 PolarHBondContact SG-SG 2.82Å; T41-C63 VanDerWaalsContact O-CB 3.25Å; T41-C63 WeakPolarHBondContact O-CB 3.41Å; G43-C63 PolarHBondContact N-O 3.35Å; Q44-C63 PolarHBondContact O-N 2.91Å; W46-C63 HydrophobicContact CH2-CB 4.26Å; W46-C63 HydrophobicContact CZ3-CB 3.94Å
64T88.7Confident86Confident43 Ų4365.2 Ų65.226%0.26433%0.328SS..  trans-77.9158.3178.159.60000111.1T62 I66 G67 H68 N70T62-T64 PolarHBondContact O-N 3.28Å; T64-I66 PolarHBondContact O-N 3.13Å; T64-G67 PolarHBondContact O-N 3.28Å; T64-H68 WeakPolarHBondContact CB-O 3.45Å; T64-H68 WeakPolarHBondContact CG2-O 3.4Å; T64-H68 PolarHBondContact N-O 3.29Å; T64-H68 WeakPolarHBondContact OG1-CA 3.06Å; T64-H68 WeakPolarHBondContact OG1-CB 3.42Å; T64-H68 PolarHBondContact OG1-N 2.89Å; T64-H68 PolarHBondContact OG1-O 3.03Å; T64-N70 HydrophobicContact CG2-CB 4.13Å
65E86.1Confident86.4Confident145 Ų14575.9 Ų75.968%0.67836%0.363SS*.THydrogen-bonded Turntrans-56.1-17.7174.1-61.2-59.7149.500113.9P42P42-E65 WeakPolarHBondContact CB-OE2 3.34Å
66I83.6Confident86.5Confident130 Ų13076 Ų7667%0.66737%0.365SS*.THydrogen-bonded Turntrans-93.5-2-179.4-42.8176.6000111.2K31 T64K31-I66 VanDerWaalsContact CD-O 3.27Å; K31-I66 WeakPolarHBondContact CD-O 3.49Å; T64-I66 PolarHBondContact O-N 3.13Å
67G80.5Confident86.5Confident25 Ų2578.5 Ų78.526%0.25838%0.384SS..SBendtrans84.516.918000000114.5C33 T64C33-G67 PolarHBondContact SG-O 3.2Å; T64-G67 PolarHBondContact O-N 3.28Å
68H85.3Confident85.8Confident130 Ų13086.2 Ų86.260%0.60241%0.413SS*.  trans-101.5138.6177.3-169.7-87.2000111.6C33 T64 N70C33-H68 VanDerWaalsContact SG-C 3.55Å; T64-H68 WeakPolarHBondContact CB-O 3.45Å; T64-H68 WeakPolarHBondContact CG2-O 3.4Å; T64-H68 PolarHBondContact N-O 3.29Å; T64-H68 WeakPolarHBondContact OG1-CA 3.06Å; T64-H68 WeakPolarHBondContact OG1-CB 3.42Å; T64-H68 PolarHBondContact OG1-N 2.89Å; T64-H68 PolarHBondContact OG1-O 3.03Å; H68-N70 PolarHBondContact O-N 3.48Å
69V90.7Very high85.1Confident31 Ų3187.7 Ų87.719%0.18842%0.418CS..EExtended strand (participates in β ladder)trans-80.6116173.6-177.40000109.3C33 F35 W46 C61 C71C33-V69 HydrophobicContact CB-CG2 3.64Å; F35-V69 HydrophobicContact CB-CG2 4.32Å; F35-V69 HydrophobicContact CD2-CG1 3.99Å; F35-V69 HydrophobicContact CD2-CG2 4.46Å; W46-V69 HydrophobicContact CH2-CB 4.42Å; W46-V69 HydrophobicContact CH2-CG1 3.78Å; W46-V69 HydrophobicContact CH2-CG2 4.01Å; W46-V69 HydrophobicContact CZ2-CB 4.5Å; W46-V69 HydrophobicContact CZ2-CG1 3.57Å; W46-V69 HydrophobicContact CZ2-CG2 4.12Å; C61-V69 HydrophobicContact CB-CG1 4Å; V69-C71 VanDerWaalsContact CG1-SG 3.56Å
70N90.2Very high84.1Confident83 Ų8394.7 Ų94.744%0.44445%0.448SS..EExtended strand (participates in β ladder)trans-105.3115.2172-17619.5000109.9C61 T62 T64 H68C61-N70 CarbonylContact C-O 3.54Å; C61-N70 VanDerWaalsContact CA-O 3.32Å; C61-N70 WeakPolarHBondContact CA-O 3.08Å; T62-N70 PolarHBondContact N-O 3.46Å; T62-N70 PolarHBondContact O-N 3.4Å; T62-N70 PolarHBondContact OG1-O 2.95Å; T64-N70 HydrophobicContact CG2-CB 4.13Å; H68-N70 PolarHBondContact O-N 3.48Å
71C90.9Very high83.2Confident54 Ų5492.1 Ų92.137%0.36544%0.444SS..EExtended strand (participates in β ladder)trans-112.1138.1178.6-58.10000111V59 R60 C61 V69V59-C71 HydrophobicContact CG1-CB 4.12Å; R60-C71 WeakPolarHBondContact O-CA 3.2Å; C61-C71 HydrophobicContact CB-CB 4.12Å; C61-C71 WeakPolarHBondContact CB-SG 3.34Å; C61-C71 WeakPolarHBondContact SG-CB 3.05Å; C61-C71 CovalentContact SG-SG 2.04Å; C61-C71 PolarHBondContact SG-SG 3.47Å; V69-C71 VanDerWaalsContact CG1-SG 3.56Å
72Y85.9Confident82.1Confident85 Ų8598.4 Ų98.433%0.33349%0.488SS..EExtended strand (participates in β ladder)trans-142155.2175.154.4-86.8000111.1R60 L74R60-Y72 HydrophobicContact CB-CE2 4.22Å; R60-Y72 PolarHBondContact N-O 2.94Å; R60-Y72 PolarHBondContact NE-OH 3.14Å; R60-Y72 PolarHBondContact NH2-OH 3.33Å; R60-Y72 PolarHBondContact O-N 3.48Å; Y72-L74 HydrophobicContact CD2-CD2 4.4Å; Y72-L74 HydrophobicContact CE2-CD2 3.95Å
73R86Confident80.3Confident204 Ų204104.1 Ų104.177%0.7751%0.513SS*.EExtended strand (participates in β ladder)trans-82.7131.5178.5-163.7176.9-169.9171.94.3110.3C58C58-R73 WeakPolarHBondContact O-CA 3.34Å
74L83Confident79.4Confident54 Ų54107.3 Ų107.328%0.28353%0.534SS..PPolyproline II helixtrans-73.5131.4172.1-60.4177.9000109.3C58 R60 Y72 C91C58-L74 PolarHBondContact O-N 2.04Å; R60-L74 HydrophobicContact CB-CD2 4.16Å; R60-L74 HydrophobicContact CB-CG 4.39Å; Y72-L74 HydrophobicContact CD2-CD2 4.4Å; Y72-L74 HydrophobicContact CE2-CD2 3.95Å; L74-C91 HydrophobicContact CB-CB 4.5Å; L74-C91 HydrophobicContact CD1-CB 4.11Å
75R84.8Confident78.8Confident239 Ų239107.6 Ų107.690%0.90254%0.535SS*.PPolyproline II helixtrans-100.8130172.7-68.4-168.1179.1112.1-1.7109.1
76C81.6Confident77.9Confident55 Ų55106 Ų10637%0.37253%0.529SS..PPolyproline II helixtrans-84.4141.6179.7-60.80000111.7C92C76-C92 WeakPolarHBondContact CA-SG 3.46Å; C76-C92 HydrophobicContact CB-CB 3.79Å; C76-C92 WeakPolarHBondContact CB-SG 2.95Å; C76-C92 WeakPolarHBondContact SG-CA 3.02Å; C76-C92 WeakPolarHBondContact SG-CB 2.72Å; C76-C92 CovalentContact SG-SG 2.05Å; C76-C92 PolarHBondContact SG-SG 2.95Å
77P80.4Confident77.3Confident96 Ų96104 Ų10462%0.62352%0.517SS*.PPolyproline II helixtrans-65.4151.2172.628.4-33.4000110.4L79P77-L79 PolarHBondContact O-N 3.14Å
78R69.4Low76.7Confident232 Ų232107.7 Ų107.788%0.87554%0.536SS*.PPolyproline II helixtrans-70.8125.6175.9-67.7-170.9-179.8-178.71.1109.8
79L72.4Confident76.2Confident69 Ų69108.4 Ų108.436%0.36154%0.54SS..PPolyproline II helixtrans-99.3139.1176.8-58.7179.1000110.3P77 P84 P93P77-L79 PolarHBondContact O-N 3.14Å; L79-P84 HydrophobicContact CD1-CB 4.19Å; L79-P93 HydrophobicContact CD1-CB 4.04Å; L79-P93 HydrophobicContact CD1-CG 3.91Å; L79-P93 WeakPolarHBondContact CD1-O 2.9Å
80H65.7Low75.6Confident183 Ų183112.2 Ų112.285%0.84756%0.556SS**  trans-111.856.5177.3-59.794.1000110.1
81C70.3Confident75.3Confident44 Ų44108.9 Ų108.930%0.29754%0.539SS..  trans-132.4151.4178.360.20000111Q83 C95C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 3.03Å; C81-C95 HydrophobicContact CB-CB 3.76Å; C81-C95 WeakPolarHBondContact CB-SG 3.44Å; C81-C95 WeakPolarHBondContact SG-CB 3.36Å; C81-C95 CovalentContact SG-SG 2.04Å; C81-C95 PolarHBondContact SG-SG 3.26Å
82S65.2Low75Confident132 Ų132108.1 Ų108.192%0.92353%0.533SS*.SBendtrans-71.6-25.1-17346.90000113.8
83Q55.4Low74.7Confident150 Ų150106 Ų10670%0.70153%0.53SS*.  trans-142.286.6-179.2-163.2170.8-23.100111.9C81C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 3.03Å
84P70.4Confident74.3Confident70 Ų70100.4 Ų100.446%0.45551%0.509SS..EExtended strand (participates in β ladder)trans-69.8135.8171.726.9-31.3000110.9L79 P93L79-P84 HydrophobicContact CD1-CB 4.19Å; P84-P93 HydrophobicContact CB-CB 3.87Å
85V76.3Confident73.8Confident49 Ų49100.3 Ų100.330%0.29751%0.512SS..EExtended strand (participates in β ladder)trans-110.7134.6178.91780000110.1P93 R94 V96V85-P93 WeakPolarHBondContact O-CA 3.3Å; V85-R94 PolarHBondContact N-O 2.8Å; V85-R94 PolarHBondContact O-N 3.24Å; V85-V96 HydrophobicContact CB-CG2 4.11Å; V85-V96 HydrophobicContact CG2-CG2 3.49Å; V85-V96 VanDerWaalsContact CG2-CG2 3.49Å
86M67.9Low72.9Confident112 Ų11293.3 Ų93.355%0.55250%0.496SS*.PPolyproline II helixtrans-91.4121.6173.7-66.2-66.2-6900109.5P93M86-P93 HydrophobicContact SD-CB 3.59Å; M86-P93 VanDerWaalsContact SD-CB 3.59Å; M86-P93 HydrophobicContact SD-CG 4.05Å
87E70.5Confident71.6Confident86 Ų8696.1 Ų96.140%0.40251%0.507SS..PPolyproline II helixtrans-83.5141.1170.6-15978.4-74.700109.8Q89 Q90 R94E87-Q89 PolarHBondContact O-N 3.01Å; E87-Q90 HydrophobicContact CB-CB 4.16Å; E87-Q90 PolarHBondContact O-N 2.89Å; E87-R94 IonicContact OE1-CZ 2.64Å; E87-R94 IonicContact OE1-NH2 3.75Å; E87-R94 PolarHBondContact OE1-NH2 3.15Å; E87-R94 IonicContact OE2-CZ 2.66Å; E87-R94 IonicContact OE2-NE 2.73Å; E87-R94 PolarHBondContact OE2-NE 2.93Å; E87-R94 IonicContact OE2-NH1 2.85Å; E87-R94 PolarHBondContact OE2-NH1 2.8Å; E87-R94 IonicContact OE2-NH2 2.81Å; E87-R94 PolarHBondContact OE2-NH2 3.23Å
88P67.5Low70.3Confident103 Ų10397 Ų9767%0.66951%0.513SS*.THydrogen-bonded Turntrans-52.2136.9162.2-22.632.7000110.4
89Q76.1Confident69.4Low145 Ų14592.9 Ų92.968%0.67850%0.503SS*.THydrogen-bonded Turntrans74.214.1178.6-41.2-177.115.300117.4Y57 E87Y57-Q89 HydrophobicContact CD1-CB 4.16Å; Y57-Q89 WeakPolarHBondContact CD1-O 3.35Å; Y57-Q89 HydrophobicContact CE1-CB 3.61Å; Y57-Q89 HydrophobicContact CE1-CG 4.2Å; Y57-Q89 HydrophobicContact CE2-CB 4.25Å; Y57-Q89 HydrophobicContact CE2-CG 4.41Å; E87-Q89 PolarHBondContact O-N 3.01Å
90Q78.6Confident67.9Low112 Ų11295.6 Ų95.652%0.52352%0.517SS..  trans-127.8141177.5-135.8144.439.400111.6E87E87-Q90 HydrophobicContact CB-CB 4.16Å; E87-Q90 PolarHBondContact O-N 2.89Å
91C84.1Confident67.1Low13 Ų1392.3 Ų92.39%0.08851%0.512CS..SBendtrans-71.5-44.3179.2176.70000112.5Y57 C58 L74Y57-C91 WeakPolarHBondContact O-CB 3.14Å; C58-C91 WeakPolarHBondContact CA-SG 3.21Å; C58-C91 HydrophobicContact CB-CB 3.94Å; C58-C91 WeakPolarHBondContact CB-SG 3.49Å; C58-C91 WeakPolarHBondContact SG-CA 3.41Å; C58-C91 WeakPolarHBondContact SG-CB 3.31Å; C58-C91 PolarHBondContact SG-O 2.77Å; C58-C91 CovalentContact SG-SG 2.05Å; C58-C91 PolarHBondContact SG-SG 2.81Å; L74-C91 HydrophobicContact CB-CB 4.5Å; L74-C91 HydrophobicContact CD1-CB 4.11Å
92C83.9Confident66.1Low37 Ų3796.5 Ų96.525%0.2554%0.542CS..SBendtrans-101.8138.6-167.7-64.70000112.3C76C76-C92 WeakPolarHBondContact CA-SG 3.46Å; C76-C92 HydrophobicContact CB-CB 3.79Å; C76-C92 WeakPolarHBondContact CB-SG 2.95Å; C76-C92 WeakPolarHBondContact SG-CA 3.02Å; C76-C92 WeakPolarHBondContact SG-CB 2.72Å; C76-C92 CovalentContact SG-SG 2.05Å; C76-C92 PolarHBondContact SG-SG 2.95Å
93P78.7Confident65.2Low40 Ų4093.5 Ų93.526%0.2653%0.532SS..  trans-63.7157.217223.9-29.5000110.3L79 P84 V85 M86L79-P93 HydrophobicContact CD1-CB 4.04Å; L79-P93 HydrophobicContact CD1-CG 3.91Å; L79-P93 WeakPolarHBondContact CD1-O 2.9Å; P84-P93 HydrophobicContact CB-CB 3.87Å; V85-P93 WeakPolarHBondContact O-CA 3.3Å; M86-P93 HydrophobicContact SD-CB 3.59Å; M86-P93 VanDerWaalsContact SD-CB 3.59Å; M86-P93 HydrophobicContact SD-CG 4.05Å
94R77.2Confident64.7Low88 Ų8893.8 Ų93.833%0.33254%0.537SS..EExtended strand (participates in β ladder)trans-126.8149171.855.4-171.6154.676.436.2109.9V85 E87V85-R94 PolarHBondContact N-O 2.8Å; V85-R94 PolarHBondContact O-N 3.24Å; E87-R94 IonicContact OE1-CZ 2.64Å; E87-R94 IonicContact OE1-NH2 3.75Å; E87-R94 PolarHBondContact OE1-NH2 3.15Å; E87-R94 IonicContact OE2-CZ 2.66Å; E87-R94 IonicContact OE2-NE 2.73Å; E87-R94 PolarHBondContact OE2-NE 2.93Å; E87-R94 IonicContact OE2-NH1 2.85Å; E87-R94 PolarHBondContact OE2-NH1 2.8Å; E87-R94 IonicContact OE2-NH2 2.81Å; E87-R94 PolarHBondContact OE2-NH2 3.23Å
95C72.9Confident63.4Low51 Ų51102.3 Ų102.335%0.34556%0.56SS.*EExtended strand (participates in β ladder)trans-76.9135.7169-57.40000108C81 D97C81-C95 HydrophobicContact CB-CB 3.76Å; C81-C95 WeakPolarHBondContact CB-SG 3.44Å; C81-C95 WeakPolarHBondContact SG-CB 3.36Å; C81-C95 CovalentContact SG-SG 2.04Å; C81-C95 PolarHBondContact SG-SG 3.26Å; C95-D97 PolarHBondContact O-N 2.84Å
96V67.2Low61.8Low93 Ų93103 Ų10356%0.56457%0.571SS**PPolyproline II helixtrans-72.8117.3169.4-177.80000106.8V85 P98V85-V96 HydrophobicContact CB-CG2 4.11Å; V85-V96 HydrophobicContact CG2-CG2 3.49Å; V85-V96 VanDerWaalsContact CG2-CG2 3.49Å; V96-P98 WeakPolarHBondContact O-CD 3.39Å
97D53.3Low61Low113 Ų113103.5 Ų103.560%0.60458%0.582SS**PPolyproline II helixtrans-72.8123.4171.7-152.5-32.6000108C95 H99C95-D97 PolarHBondContact O-N 2.84Å; D97-H99 PolarHBondContact O-N 2.71Å; D97-H99 PolarHBondContact OD1-N 2.82Å
98P52.4Low60.2Low114 Ų114104.6 Ų104.674%0.7459%0.591SS**SBendtrans-60.9-13.7176.4-21.532.9000113.3V96V96-P98 WeakPolarHBondContact O-CD 3.39Å
99H51.4Low60.1Low147 Ų147107 Ų10768%0.68159%0.591SS**SBendtrans-113.575179.1-61.1-66.6000112.3D97D97-H99 PolarHBondContact O-N 2.71Å; D97-H99 PolarHBondContact OD1-N 2.82Å
100L41.8Very low60Low126 Ų126103 Ų10366%0.6658%0.578SS**  trans75.2128.6151.7-154.570.6000119.5
101P47.8Very low59.9Low113 Ų11397.8 Ų97.873%0.73455%0.554SS**  trans-73.3125.5158-420.1000110.9G103P101-G103 PolarHBondContact O-N 2.83Å
102S48.7Very low59.6Low132 Ų132104.3 Ų104.392%0.92358%0.583SS**THydrogen-bonded Turntrans-56.6105.5172.1-550000111.4
103G47.7Very low58.9Low70 Ų70104.1 Ų104.172%0.72258%0.579SS**THydrogen-bonded Turntrans-178.3-25.8174.300000119P101P101-G103 PolarHBondContact O-N 2.83Å
104I43.7Very low58.2Low155 Ų155107.8 Ų107.880%0.79560%0.597SS**  trans-142.388.1179.9-52.8178.2000109.2A106I104-A106 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact O-N 3.1Å
105R44.6Very low57.7Low250 Ų250113.1 Ų113.194%0.94363%0.626SS**  trans-7889.4172.2-174.1179.8-91.6-176.4-6.5108.7
106A42.1Very low57.7Low64 Ų64113.9 Ų113.953%0.52963%0.629SS.*PPolyproline II helixtrans-78.7147.315100000108.2I104 L108I104-A106 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact O-N 3.1Å; A106-L108 PolarHBondContact O-N 3.09Å; A106-L108 VanDerWaalsContact O-N 3.11Å
107P50.1Low58.2Low122 Ų122113 Ų11379%0.79262%0.624SS**PPolyproline II helixtrans-57.2121.1170-13.425000108.3K109P107-K109 PolarHBondContact O-N 2.71Å
108L55.2Low59.2Low109 Ų109109.1 Ų109.157%0.57160%0.601SS**PPolyproline II helixtrans-59.4121.7175.2-70.8160.9000107.9A106 S110 H120A106-L108 PolarHBondContact O-N 3.09Å; A106-L108 VanDerWaalsContact O-N 3.11Å; L108-S110 PolarHBondContact O-N 2.99Å; L108-H120 HydrophobicContact CB-CB 3.81Å; L108-H120 HydrophobicContact CD1-CB 4.35Å; L108-H120 HydrophobicContact CD2-CB 4.49Å; L108-H120 HydrophobicContact CG-CB 4.45Å
109K65.8Low60.1Low154 Ų154110.6 Ų110.667%0.6760%0.598SS**PPolyproline II helixtrans-67.2130-178.4-64.7-179.9-179.2178.40109.6P107 G146P107-K109 PolarHBondContact O-N 2.71Å; K109-G146 PolarHBondContact O-N 3.41Å
110S72.9Confident60.9Low60 Ų60106.6 Ų106.642%0.4258%0.579SS.*PPolyproline II helixtrans-76.2154.8170.251.90000110.9L108 T117 Y118L108-S110 PolarHBondContact O-N 2.99Å; S110-T117 WeakPolarHBondContact OG-CG2 3.09Å; S110-Y118 CarbonylContact C-O 3.55Å; S110-Y118 VanDerWaalsContact CA-O 3.29Å; S110-Y118 WeakPolarHBondContact CA-O 3.48Å; S110-Y118 WeakPolarHBondContact CB-O 3.47Å
111C77.4Confident61.9Low2 Ų2102.9 Ų102.91%0.01457%0.571CS.*EExtended strand (participates in β ladder)trans-98.7136.6174.4-51.40000109T117 Y118 C143 G146 H147 T148C111-T117 CarbonylContact O-C 3.57Å; C111-T117 WeakPolarHBondContact O-CA 3.3Å; C111-Y118 PolarHBondContact N-O 2.95Å; C111-Y118 PolarHBondContact O-N 2.86Å; C111-C143 HydrophobicContact CB-CB 3.7Å; C111-C143 WeakPolarHBondContact CB-SG 3.33Å; C111-C143 PolarHBondContact N-SG 2.98Å; C111-C143 WeakPolarHBondContact SG-CA 3.47Å; C111-C143 WeakPolarHBondContact SG-CB 3.4Å; C111-C143 CovalentContact SG-SG 2.03Å; C111-C143 PolarHBondContact SG-SG 3.21Å; C111-G146 VanDerWaalsContact SG-CA 3.58Å; C111-H147 VanDerWaalsContact SG-C 3.55Å; C111-H147 PolarHBondContact SG-N 2.87Å; C111-H147 VanDerWaalsContact SG-N 3.44Å; C111-H147 PolarHBondContact SG-O 2.92Å; C111-H147 VanDerWaalsContact SG-O 3.4Å; C111-T148 WeakPolarHBondContact CB-OG1 3.45Å
112Q77.1Confident62.8Low151 Ų151101.2 Ų101.271%0.70655%0.554SS**EExtended strand (participates in β ladder)trans-107127.6171.6-70.1-163.6-6.800109.9T116 T117Q112-T116 WeakPolarHBondContact CA-O 3.46Å; Q112-T117 HydrophobicContact CG-CG2 4.47Å
113L69.7Low64Low32 Ų3298.3 Ų98.317%0.16853%0.527CS..EExtended strand (participates in β ladder)trans-147.5128177.2-174.968.4000109.8E115 T116 Y118 F124 A126 L129 T148L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 2.8Å; L113-T116 PolarHBondContact N-O 2.83Å; L113-T116 WeakPolarHBondContact O-CB 3.33Å; L113-T116 PolarHBondContact O-N 2.73Å; L113-Y118 HydrophobicContact CB-CD2 4.25Å; L113-Y118 HydrophobicContact CB-CE2 3.95Å; L113-F124 HydrophobicContact CD2-CE2 3.36Å; L113-F124 HydrophobicContact CD2-CZ 3.68Å; L113-A126 HydrophobicContact CD2-CB 4.39Å; L113-L129 HydrophobicContact CD1-CD1 3.94Å; L113-L129 HydrophobicContact CD1-CD2 4.14Å; L113-L129 HydrophobicContact CD2-CD1 3.41Å; L113-L129 VanDerWaalsContact CD2-CD1 3.41Å; L113-L129 HydrophobicContact CG-CD1 4.13Å; L113-T148 HydrophobicContact CD2-CG2 4.11Å
114N64Low65.3Low117 Ų11795.4 Ų95.463%0.62650%0.495SS*.THydrogen-bonded Turntrans45.353.6-177.6-63-5.9000112.6T116N114-T116 PolarHBondContact O-N 2.82Å; N114-T116 PolarHBondContact O-OG1 2.86Å
115E66.6Low66.6Low200 Ų20089.1 Ų89.194%0.93547%0.465SS*.THydrogen-bonded Turntrans64.31.1179.9-53.6-176.1165.300115.9L113L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 2.8Å
116T72.6Confident67.8Low68 Ų6877.7 Ų77.742%0.41742%0.423SS..EExtended strand (participates in β ladder)trans-100.8135.5178.7-44.20000109.8Q112 L113 N114 Y118Q112-T116 WeakPolarHBondContact CA-O 3.46Å; L113-T116 PolarHBondContact N-O 2.83Å; L113-T116 WeakPolarHBondContact O-CB 3.33Å; L113-T116 PolarHBondContact O-N 2.73Å; N114-T116 PolarHBondContact O-N 2.82Å; N114-T116 PolarHBondContact O-OG1 2.86Å; T116-Y118 HydrophobicContact CG2-CE1 4.09Å; T116-Y118 HydrophobicContact CG2-CE2 4.05Å
117T76.9Confident68.6Low73 Ų7380.1 Ų80.145%0.44842%0.424SS..EExtended strand (participates in β ladder)trans-101.5113.8178.5-59.70000109.8S110 C111 Q112S110-T117 WeakPolarHBondContact OG-CG2 3.09Å; C111-T117 CarbonylContact O-C 3.57Å; C111-T117 WeakPolarHBondContact O-CA 3.3Å; Q112-T117 HydrophobicContact CG-CG2 4.47Å
118Y74.4Confident69Low32 Ų3282.9 Ų82.913%0.12543%0.426CS..EExtended strand (participates in β ladder)trans-98.1134.9179.7-60.2-80.7000110.8S110 C111 L113 T116 E122 F124 C143S110-Y118 CarbonylContact C-O 3.55Å; S110-Y118 VanDerWaalsContact CA-O 3.29Å; S110-Y118 WeakPolarHBondContact CA-O 3.48Å; S110-Y118 WeakPolarHBondContact CB-O 3.47Å; C111-Y118 PolarHBondContact N-O 2.95Å; C111-Y118 PolarHBondContact O-N 2.86Å; L113-Y118 HydrophobicContact CB-CD2 4.25Å; L113-Y118 HydrophobicContact CB-CE2 3.95Å; T116-Y118 HydrophobicContact CG2-CE1 4.09Å; T116-Y118 HydrophobicContact CG2-CE2 4.05Å; Y118-E122 WeakPolarHBondContact CA-OE2 3.33Å; Y118-E122 HydrophobicContact CD1-CG 4.2Å; Y118-F124 HydrophobicContact CD1-CB 4.02Å; Y118-F124 AromaticContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD2 4.33Å; Y118-F124 AromaticContact CD1-CE1 3.63Å; Y118-F124 HydrophobicContact CD1-CE1 3.63Å; Y118-F124 AromaticContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CZ 4.34Å; Y118-F124 HydrophobicContact CD2-CD1 4.04Å; Y118-F124 AromaticContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE2 4.2Å; Y118-F124 HydrophobicContact CD2-CG 4.48Å; Y118-F124 AromaticContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CE1-CB 3.47Å; Y118-F124 VanDerWaalsContact CE1-CB 3.47Å; Y118-F124 AromaticContact CE1-CD1 3.4Å; Y118-F124 HydrophobicContact CE1-CD1 3.4Å; Y118-F124 VanDerWaalsContact CE1-CD1 3.4Å; Y118-F124 AromaticContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CE1 4.01Å; Y118-F124 HydrophobicContact CE1-CE2 4.29Å; Y118-F124 AromaticContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CZ 4.4Å; Y118-F124 HydrophobicContact CE2-CD1 4.22Å; Y118-F124 AromaticContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CE1 4.01Å; Y118-F124 AromaticContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CG 4.2Å; Y118-F124 AromaticContact CE2-CZ 3.76Å; Y118-F124 HydrophobicContact CE2-CZ 3.76Å; Y118-F124 AromaticContact CG-CD1 3.52Å; Y118-F124 HydrophobicContact CG-CD1 3.52Å; Y118-F124 AromaticContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CG 4.19Å; Y118-F124 AromaticContact CG-CZ 3.98Å; Y118-F124 HydrophobicContact CG-CZ 3.98Å; Y118-F124 AromaticContact CZ-CD1 3.9Å; Y118-F124 AromaticContact CZ-CD2 3.49Å; Y118-F124 VanDerWaalsContact CZ-CD2 3.49Å; Y118-F124 AromaticContact CZ-CE2 3.79Å; Y118-F124 AromaticContact CZ-CG 3.55Å; Y118-C143 PolarHBondContact O-SG 2.9Å
119Q71.3Confident69.2Low146 Ų14681.1 Ų81.168%0.68242%0.417SS*.PPolyproline II helixtrans-75.9155.1177.7-58.8-166.99.500111.3G121 E122 C143Q119-G121 PolarHBondContact O-N 3.33Å; Q119-E122 PolarHBondContact N-OE2 3.3Å; Q119-E122 WeakPolarHBondContact O-CB 3.42Å; Q119-E122 PolarHBondContact O-N 3.13Å; Q119-C143 WeakPolarHBondContact O-CB 3.22Å
120H67.7Low68.9Low62 Ų6275.6 Ų75.629%0.28740%0.395SS..THydrogen-bonded Turntrans-56.8127.6172.5171.8105.6000109.9L108 E145L108-H120 HydrophobicContact CB-CB 3.81Å; L108-H120 HydrophobicContact CD1-CB 4.35Å; L108-H120 HydrophobicContact CD2-CB 4.49Å; L108-H120 HydrophobicContact CG-CB 4.45Å; H120-E145 VanDerWaalsContact CE1-CG 3.49Å; H120-E145 WeakPolarHBondContact CE1-CG 2.91Å; H120-E145 WeakPolarHBondContact ND1-CG 3.27Å; H120-E145 PolarHBondContact ND1-N 2.71Å
121G64Low68Low48 Ų4878.2 Ų78.250%0.49541%0.41SS..THydrogen-bonded Turntrans92.2-8-176.200000114.4Q119 C143Q119-G121 PolarHBondContact O-N 3.33Å; G121-C143 PolarHBondContact N-O 2.78Å
122E67.4Low67Low79 Ų7981.6 Ų81.637%0.36943%0.431SS..  trans-72.8142.4-179.7-164.7169.7168.600111.5Y118 Q119 S142 C143Y118-E122 WeakPolarHBondContact CA-OE2 3.33Å; Y118-E122 HydrophobicContact CD1-CG 4.2Å; Q119-E122 PolarHBondContact N-OE2 3.3Å; Q119-E122 WeakPolarHBondContact O-CB 3.42Å; Q119-E122 PolarHBondContact O-N 3.13Å; E122-S142 CarbonylContact O-C 3.59Å; E122-S142 VanDerWaalsContact O-CA 3.3Å; E122-S142 WeakPolarHBondContact O-CA 3.35Å; E122-C143 PolarHBondContact O-N 3.33Å
123I72.1Confident66Low71 Ų7185.3 Ų85.336%0.36444%0.438SS..EExtended strand (participates in β ladder)trans-121.4132.1179.3-56.6171.3000107.5L140 C141I123-L140 HydrophobicContact CG2-CD1 3.59Å; I123-L140 HydrophobicContact CG2-CD2 4.13Å; I123-L140 HydrophobicContact CG2-CG 3.84Å; I123-C141 CarbonylContact C-O 3.46Å; I123-C141 VanDerWaalsContact CA-O 3.27Å; I123-C141 WeakPolarHBondContact CA-O 3.48Å; I123-C141 WeakPolarHBondContact CG2-O 3.34Å
124F75.3Confident65.5Low8 Ų888.5 Ų88.54%0.03546%0.455CS..EExtended strand (participates in β ladder)trans-148.7153.3-175.257.8-89.4000111.2L113 Y118 A126 C141 T148L113-F124 HydrophobicContact CD2-CE2 3.36Å; L113-F124 HydrophobicContact CD2-CZ 3.68Å; Y118-F124 HydrophobicContact CD1-CB 4.02Å; Y118-F124 AromaticContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD2 4.33Å; Y118-F124 AromaticContact CD1-CE1 3.63Å; Y118-F124 HydrophobicContact CD1-CE1 3.63Å; Y118-F124 AromaticContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CZ 4.34Å; Y118-F124 HydrophobicContact CD2-CD1 4.04Å; Y118-F124 AromaticContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE2 4.2Å; Y118-F124 HydrophobicContact CD2-CG 4.48Å; Y118-F124 AromaticContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CE1-CB 3.47Å; Y118-F124 VanDerWaalsContact CE1-CB 3.47Å; Y118-F124 AromaticContact CE1-CD1 3.4Å; Y118-F124 HydrophobicContact CE1-CD1 3.4Å; Y118-F124 VanDerWaalsContact CE1-CD1 3.4Å; Y118-F124 AromaticContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CE1 4.01Å; Y118-F124 HydrophobicContact CE1-CE2 4.29Å; Y118-F124 AromaticContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CZ 4.4Å; Y118-F124 HydrophobicContact CE2-CD1 4.22Å; Y118-F124 AromaticContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CE1 4.01Å; Y118-F124 AromaticContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CG 4.2Å; Y118-F124 AromaticContact CE2-CZ 3.76Å; Y118-F124 HydrophobicContact CE2-CZ 3.76Å; Y118-F124 AromaticContact CG-CD1 3.52Å; Y118-F124 HydrophobicContact CG-CD1 3.52Å; Y118-F124 AromaticContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CG 4.19Å; Y118-F124 AromaticContact CG-CZ 3.98Å; Y118-F124 HydrophobicContact CG-CZ 3.98Å; Y118-F124 AromaticContact CZ-CD1 3.9Å; Y118-F124 AromaticContact CZ-CD2 3.49Å; Y118-F124 VanDerWaalsContact CZ-CD2 3.49Å; Y118-F124 AromaticContact CZ-CE2 3.79Å; Y118-F124 AromaticContact CZ-CG 3.55Å; F124-A126 HydrophobicContact CD2-CB 4.42Å; F124-A126 HydrophobicContact CE2-CB 4.28Å; F124-C141 HydrophobicContact CD1-CB 4.41Å; F124-C141 HydrophobicContact CD2-CB 3.81Å; F124-C141 HydrophobicContact CE1-CB 3.99Å; F124-C141 HydrophobicContact CE2-CB 3.29Å; F124-C141 HydrophobicContact CG-CB 4.34Å; F124-C141 HydrophobicContact CZ-CB 3.41Å; F124-C141 VanDerWaalsContact CZ-CB 3.41Å; F124-C141 PolarHBondContact N-O 2.76Å; F124-C141 PolarHBondContact O-N 3.11Å; F124-T148 HydrophobicContact CE1-CG2 4.44Å; F124-T148 HydrophobicContact CZ-CG2 3.67Å
125S72.3Confident65.4Low24 Ų2489.4 Ų89.417%0.16847%0.47CS..EExtended strand (participates in β ladder)trans-87.6137173.559.90000110.9Q127 V139S125-Q127 PolarHBondContact OG-OE1 2.79Å; S125-V139 WeakPolarHBondContact CA-O 3.29Å
126A69.3Low65.3Low9 Ų982.7 Ų82.77%0.07444%0.441CS..  trans-130.187.4-179.700000110.4L113 F124 E128 L129 V139L113-A126 HydrophobicContact CD2-CB 4.39Å; F124-A126 HydrophobicContact CD2-CB 4.42Å; F124-A126 HydrophobicContact CE2-CB 4.28Å; A126-E128 PolarHBondContact O-N 3.08Å; A126-L129 HydrophobicContact CB-CD1 3.53Å; A126-L129 HydrophobicContact CB-CG 4.08Å; A126-V139 HydrophobicContact CB-CG1 4.43Å; A126-V139 PolarHBondContact N-O 3.41Å; A126-V139 VanDerWaalsContact N-O 3.11Å; A126-V139 VanDerWaalsContact O-CB 3.26Å; A126-V139 WeakPolarHBondContact O-CB 3.32Å
127Q59.4Low65Low115 Ų11581.2 Ų81.254%0.53743%0.429SS..THydrogen-bonded Turntrans-62.11-165.6-96.567.120.600117.4S125S125-Q127 PolarHBondContact OG-OE1 2.79Å
128E56.6Low64.8Low181 Ų18178.2 Ų78.285%0.84641%0.411SS*.THydrogen-bonded Turntrans-140.37.3-172.6-60.4-168.7-177.100115.8A126A126-E128 PolarHBondContact O-N 3.08Å
129L60.5Low64.8Low71 Ų7176.8 Ų76.837%0.37241%0.406SS..SBendtrans-83.2-24.5-176.9-66.8173.6000114.5L113 A126L113-L129 HydrophobicContact CD1-CD1 3.94Å; L113-L129 HydrophobicContact CD1-CD2 4.14Å; L113-L129 HydrophobicContact CD2-CD1 3.41Å; L113-L129 VanDerWaalsContact CD2-CD1 3.41Å; L113-L129 HydrophobicContact CG-CD1 4.13Å; A126-L129 HydrophobicContact CB-CD1 3.53Å; A126-L129 HydrophobicContact CB-CG 4.08Å
130I58.4Low65Low39 Ų3971.3 Ų71.320%0.238%0.381CS..SBendtrans-132.7122.5179.8-50.8173.5000106.9T132 V139 C150 L152I130-T132 PolarHBondContact O-N 2.88Å; I130-T132 VanDerWaalsContact O-N 3.08Å; I130-V139 HydrophobicContact CB-CG2 3.82Å; I130-V139 HydrophobicContact CD1-CG1 4.15Å; I130-V139 HydrophobicContact CD1-CG2 4.38Å; I130-V139 HydrophobicContact CG1-CG1 4.37Å; I130-V139 HydrophobicContact CG1-CG2 4.23Å; I130-C150 HydrophobicContact CD1-CB 4.32Å; I130-L152 HydrophobicContact CB-CD2 4.25Å; I130-L152 HydrophobicContact CB-CG 4.27Å; I130-L152 HydrophobicContact CD1-CG 4.41Å; I130-L152 HydrophobicContact CG2-CD1 3.7Å; I130-L152 HydrophobicContact CG2-CD2 4.16Å; I130-L152 HydrophobicContact CG2-CG 3.82Å
131P54.7Low65.4Low114 Ų11468.4 Ų68.474%0.7437%0.368SS*.  trans-59.9116.2176.3-20.931.1000110.3R133P131-R133 PolarHBondContact O-N 2.04Å
132T55.8Low66Low74 Ų7466.8 Ų66.845%0.45435%0.349SS..  trans-66.3124.9175.250.50000109.1I130 Q137 L152I130-T132 PolarHBondContact O-N 2.88Å; I130-T132 VanDerWaalsContact O-N 3.08Å; T132-Q137 HydrophobicContact CG2-CB 4.22Å; T132-Q137 VanDerWaalsContact CG2-O 3.24Å; T132-Q137 WeakPolarHBondContact CG2-O 2.99Å; T132-L152 HydrophobicContact CG2-CD2 4.05Å
133R57Low66.3Low229 Ų22963 Ų6386%0.86433%0.331SS*.SBendtrans-87.6-19.5178.5-68.8-148.6179.5-160.51.7113.1P131P131-R133 PolarHBondContact O-N 2.04Å
134L58.4Low66.3Low98 Ų9863 Ų6351%0.51333%0.331SS..SBendtrans-129.9149.3178.1-59.3170.1000109.4N136 Q137L134-N136 WeakPolarHBondContact CB-OD1 3.4Å; L134-N136 PolarHBondContact O-N 3.22Å; L134-Q137 HydrophobicContact CB-CG 4.02Å; L134-Q137 WeakPolarHBondContact O-CB 3.16Å; L134-Q137 PolarHBondContact O-N 3.24Å
135S62.1Low65.8Low136 Ų13668 Ų6895%0.95136%0.355SS*.THydrogen-bonded Turntrans-67.8-18.6-177.452.50000114Q137S135-Q137 VanDerWaalsContact C-N 3.33Å
136N65.8Low65.4Low59 Ų5968.3 Ų68.332%0.31636%0.361SS..THydrogen-bonded Turntrans-93.216.8176.567.4-23.7000112.9L134 T154 C155L134-N136 WeakPolarHBondContact CB-OD1 3.4Å; L134-N136 PolarHBondContact O-N 3.22Å; N136-T154 WeakPolarHBondContact ND2-CG2 3.44Å; N136-T154 CarbonylContact O-C 3.6Å; N136-T154 WeakPolarHBondContact O-CA 3.28Å; N136-C155 PolarHBondContact O-N 3.2Å
137Q65.6Low65.1Low38 Ų3873.3 Ų73.318%0.17838%0.383CS..EExtended strand (participates in β ladder)trans-108.1138.1179.4-68.9177-22.500111.6T132 L134 S135 L152 M153T132-Q137 HydrophobicContact CG2-CB 4.22Å; T132-Q137 VanDerWaalsContact CG2-O 3.24Å; T132-Q137 WeakPolarHBondContact CG2-O 2.99Å; L134-Q137 HydrophobicContact CB-CG 4.02Å; L134-Q137 WeakPolarHBondContact O-CB 3.16Å; L134-Q137 PolarHBondContact O-N 3.24Å; S135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-L152 HydrophobicContact CB-CD2 4.36Å; Q137-M153 CarbonylContact C-O 3.57Å; Q137-M153 VanDerWaalsContact CA-O 3.29Å; Q137-M153 WeakPolarHBondContact CA-O 3.33Å
138C72.6Confident65.7Low10 Ų1070.1 Ų70.17%0.06837%0.371CS..EExtended strand (participates in β ladder)trans-130.8154.9175.965.30000109.8L152 M153 C155 C170C138-L152 CarbonylContact O-C 3.43Å; C138-L152 WeakPolarHBondContact O-CA 3.49Å; C138-M153 PolarHBondContact N-O 2.74Å; C138-M153 PolarHBondContact O-N 2.96Å; C138-C155 PolarHBondContact SG-SG 2.78Å; C138-C170 HydrophobicContact CB-CB 4.1Å; C138-C170 VanDerWaalsContact CB-O 3.22Å; C138-C170 WeakPolarHBondContact CB-O 3.35Å; C138-C170 WeakPolarHBondContact CB-SG 3.33Å; C138-C170 VanDerWaalsContact SG-C 3.5Å; C138-C170 WeakPolarHBondContact SG-CB 3.31Å; C138-C170 PolarHBondContact SG-O 2.82Å; C138-C170 CovalentContact SG-SG 2.01Å; C138-C170 PolarHBondContact SG-SG 3.06Å
139V75.1Confident66.5Low1 Ų166.7 Ų66.71%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-98.2122.5178.7177.70000109.3S125 A126 I130 C150 G151 L152S125-V139 WeakPolarHBondContact CA-O 3.29Å; A126-V139 HydrophobicContact CB-CG1 4.43Å; A126-V139 PolarHBondContact N-O 3.41Å; A126-V139 VanDerWaalsContact N-O 3.11Å; A126-V139 VanDerWaalsContact O-CB 3.26Å; A126-V139 WeakPolarHBondContact O-CB 3.32Å; I130-V139 HydrophobicContact CB-CG2 3.82Å; I130-V139 HydrophobicContact CD1-CG1 4.15Å; I130-V139 HydrophobicContact CD1-CG2 4.38Å; I130-V139 HydrophobicContact CG1-CG1 4.37Å; I130-V139 HydrophobicContact CG1-CG2 4.23Å; V139-C150 HydrophobicContact CG1-CB 4.08Å; V139-G151 WeakPolarHBondContact CA-O 3.02Å; V139-L152 HydrophobicContact CG2-CD2 3.67Å
140L75.9Confident67.1Low32 Ų3264.9 Ų64.917%0.16834%0.344CS..EExtended strand (participates in β ladder)trans-112.3129.7175.4-168.767.5000109.6I123 C150 G151 M153 C170 F226I123-L140 HydrophobicContact CG2-CD1 3.59Å; I123-L140 HydrophobicContact CG2-CD2 4.13Å; I123-L140 HydrophobicContact CG2-CG 3.84Å; L140-C150 CarbonylContact O-C 3.6Å; L140-C150 WeakPolarHBondContact O-CA 3.27Å; L140-G151 PolarHBondContact N-O 2.87Å; L140-G151 PolarHBondContact O-N 2.93Å; L140-M153 HydrophobicContact CD2-SD 4.34Å; L140-C170 HydrophobicContact CD1-CB 4.31Å; L140-F226 HydrophobicContact CD2-CE2 4.31Å
141C75.1Confident67.7Low1 Ų164.2 Ų64.21%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-120.4149.6-177.8-620000111.7I123 F124 T148 Y149 C150I123-C141 CarbonylContact C-O 3.46Å; I123-C141 VanDerWaalsContact CA-O 3.27Å; I123-C141 WeakPolarHBondContact CA-O 3.48Å; I123-C141 WeakPolarHBondContact CG2-O 3.34Å; F124-C141 HydrophobicContact CD1-CB 4.41Å; F124-C141 HydrophobicContact CD2-CB 3.81Å; F124-C141 HydrophobicContact CE1-CB 3.99Å; F124-C141 HydrophobicContact CE2-CB 3.29Å; F124-C141 HydrophobicContact CG-CB 4.34Å; F124-C141 HydrophobicContact CZ-CB 3.41Å; F124-C141 VanDerWaalsContact CZ-CB 3.41Å; F124-C141 PolarHBondContact N-O 2.76Å; F124-C141 PolarHBondContact O-N 3.11Å; C141-T148 HydrophobicContact CB-CG2 4.03Å; C141-Y149 CarbonylContact C-O 3.53Å; C141-Y149 WeakPolarHBondContact CA-O 3.48Å; C141-C150 HydrophobicContact CB-CB 4.14Å; C141-C150 WeakPolarHBondContact CB-SG 3.34Å; C141-C150 WeakPolarHBondContact SG-CB 3.27Å; C141-C150 CovalentContact SG-SG 2.04Å; C141-C150 PolarHBondContact SG-SG 3.41Å
142S75.6Confident68.2Low13 Ų1361.6 Ų61.69%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-131.8136.5173.31790000110.8E122 T148 Y149E122-S142 CarbonylContact O-C 3.59Å; E122-S142 VanDerWaalsContact O-CA 3.3Å; E122-S142 WeakPolarHBondContact O-CA 3.35Å; S142-T148 WeakPolarHBondContact O-CA 3.44Å; S142-Y149 PolarHBondContact N-O 2.91Å; S142-Y149 PolarHBondContact O-N 2.85Å
143C75.1Confident68.6Low0 Ų059.5 Ų59.50%031%0.312CS..EExtended strand (participates in β ladder)trans-91.6118.4174.2176.50000110.8C111 Y118 Q119 G121 E122C111-C143 HydrophobicContact CB-CB 3.7Å; C111-C143 WeakPolarHBondContact CB-SG 3.33Å; C111-C143 PolarHBondContact N-SG 2.98Å; C111-C143 WeakPolarHBondContact SG-CA 3.47Å; C111-C143 WeakPolarHBondContact SG-CB 3.4Å; C111-C143 CovalentContact SG-SG 2.03Å; C111-C143 PolarHBondContact SG-SG 3.21Å; Y118-C143 PolarHBondContact O-SG 2.9Å; Q119-C143 WeakPolarHBondContact O-CB 3.22Å; G121-C143 PolarHBondContact N-O 2.78Å; E122-C143 PolarHBondContact O-N 3.33Å
144I72.4Confident69.3Low72 Ų7252.2 Ų52.237%0.36929%0.293SS..EExtended strand (participates in β ladder)trans-131.4110.3175.8-53170.7000108.5G146 H147 Y149I144-G146 PolarHBondContact O-N 2.87Å; I144-H147 PolarHBondContact N-O 3.08Å; I144-H147 WeakPolarHBondContact O-CB 3.43Å; I144-H147 PolarHBondContact O-N 3.13Å; I144-Y149 HydrophobicContact CB-CD2 4.04Å; I144-Y149 HydrophobicContact CB-CE2 3.69Å; I144-Y149 HydrophobicContact CD1-CD2 4.04Å; I144-Y149 HydrophobicContact CD1-CE2 4.24Å; I144-Y149 HydrophobicContact CG1-CD2 4.13Å; I144-Y149 HydrophobicContact CG1-CE2 4.26Å
145E65Low69.9Low113 Ų11348.4 Ų48.453%0.52827%0.274SS..THydrogen-bonded Turntrans5743.3174-57.5-173.8158.600113.4H120 H147H120-E145 VanDerWaalsContact CE1-CG 3.49Å; H120-E145 WeakPolarHBondContact CE1-CG 2.91Å; H120-E145 WeakPolarHBondContact ND1-CG 3.27Å; H120-E145 PolarHBondContact ND1-N 2.71Å; E145-H147 VanDerWaalsContact C-N 3.26Å; E145-H147 PolarHBondContact O-N 3.02Å; E145-H147 PolarHBondContact O-ND1 2.86Å
146G63.4Low70.4Confident30 Ų3046 Ų4631%0.30926%0.256SS..THydrogen-bonded Turntrans79.84.3-178.700000114.5K109 C111 I144K109-G146 PolarHBondContact O-N 3.41Å; C111-G146 VanDerWaalsContact SG-CA 3.58Å; I144-G146 PolarHBondContact O-N 2.87Å
147H63.6Low70.4Confident113 Ų11351.3 Ų51.352%0.52328%0.279SS..EExtended strand (participates in β ladder)trans-111.1131.6175.2-5486.8000110.5C111 I144 E145 Y149C111-H147 VanDerWaalsContact SG-C 3.55Å; C111-H147 PolarHBondContact SG-N 2.87Å; C111-H147 VanDerWaalsContact SG-N 3.44Å; C111-H147 PolarHBondContact SG-O 2.92Å; C111-H147 VanDerWaalsContact SG-O 3.4Å; I144-H147 PolarHBondContact N-O 3.08Å; I144-H147 WeakPolarHBondContact O-CB 3.43Å; I144-H147 PolarHBondContact O-N 3.13Å; E145-H147 VanDerWaalsContact C-N 3.26Å; E145-H147 PolarHBondContact O-N 3.02Å; E145-H147 PolarHBondContact O-ND1 2.86Å; H147-Y149 HydrophobicContact CB-CE2 3.69Å; H147-Y149 WeakPolarHBondContact O-CD2 3.07Å; H147-Y149 WeakPolarHBondContact O-CE2 3.43Å
148T71.1Confident70.3Confident48 Ų4851.6 Ų51.629%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-93.5125.5177.1-49.80000110.3C111 L113 F124 C141 S142C111-T148 WeakPolarHBondContact CB-OG1 3.45Å; L113-T148 HydrophobicContact CD2-CG2 4.11Å; F124-T148 HydrophobicContact CE1-CG2 4.44Å; F124-T148 HydrophobicContact CZ-CG2 3.67Å; C141-T148 HydrophobicContact CB-CG2 4.03Å; S142-T148 WeakPolarHBondContact O-CA 3.44Å
149Y73.6Confident69.9Low110 Ų11057.3 Ų57.343%0.43132%0.324SS..EExtended strand (participates in β ladder)trans-110.9111.7177.2-62.1-92.2000109C141 S142 I144 H147C141-Y149 CarbonylContact C-O 3.53Å; C141-Y149 WeakPolarHBondContact CA-O 3.48Å; S142-Y149 PolarHBondContact N-O 2.91Å; S142-Y149 PolarHBondContact O-N 2.85Å; I144-Y149 HydrophobicContact CB-CD2 4.04Å; I144-Y149 HydrophobicContact CB-CE2 3.69Å; I144-Y149 HydrophobicContact CD1-CD2 4.04Å; I144-Y149 HydrophobicContact CD1-CE2 4.24Å; I144-Y149 HydrophobicContact CG1-CD2 4.13Å; I144-Y149 HydrophobicContact CG1-CE2 4.26Å; H147-Y149 HydrophobicContact CB-CE2 3.69Å; H147-Y149 WeakPolarHBondContact O-CD2 3.07Å; H147-Y149 WeakPolarHBondContact O-CE2 3.43Å
150C73.4Confident69.7Low33 Ų3358.9 Ų58.922%0.22333%0.334CS..EExtended strand (participates in β ladder)trans-114.4146.2179.8-59.60000111.6I130 V139 L140 C141I130-C150 HydrophobicContact CD1-CB 4.32Å; V139-C150 HydrophobicContact CG1-CB 4.08Å; L140-C150 CarbonylContact O-C 3.6Å; L140-C150 WeakPolarHBondContact O-CA 3.27Å; C141-C150 HydrophobicContact CB-CB 4.14Å; C141-C150 WeakPolarHBondContact CB-SG 3.34Å; C141-C150 WeakPolarHBondContact SG-CB 3.27Å; C141-C150 CovalentContact SG-SG 2.04Å; C141-C150 PolarHBondContact SG-SG 3.41Å
151G70.5Confident69.2Low25 Ų2563.7 Ų63.726%0.25837%0.367SS..EExtended strand (participates in β ladder)trans-143.8157.7173.800000111.7V139 L140V139-G151 WeakPolarHBondContact CA-O 3.02Å; L140-G151 PolarHBondContact N-O 2.87Å; L140-G151 PolarHBondContact O-N 2.93Å
152L64.8Low68.5Low59 Ų5969 Ų6931%0.30940%0.4SS..EExtended strand (participates in β ladder)trans-81.4127.3168.8-74.8168.6000109.2I130 T132 Q137 C138 V139I130-L152 HydrophobicContact CB-CD2 4.25Å; I130-L152 HydrophobicContact CB-CG 4.27Å; I130-L152 HydrophobicContact CD1-CG 4.41Å; I130-L152 HydrophobicContact CG2-CD1 3.7Å; I130-L152 HydrophobicContact CG2-CD2 4.16Å; I130-L152 HydrophobicContact CG2-CG 3.82Å; T132-L152 HydrophobicContact CG2-CD2 4.05Å; Q137-L152 HydrophobicContact CB-CD2 4.36Å; C138-L152 CarbonylContact O-C 3.43Å; C138-L152 WeakPolarHBondContact O-CA 3.49Å; V139-L152 HydrophobicContact CG2-CD2 3.67Å
153M63.6Low68Low30 Ų3070.5 Ų70.515%0.14841%0.41CS..EExtended strand (participates in β ladder)trans-109.8132.6172.2179.516917900108.5Q137 C138 L140 Y225Q137-M153 CarbonylContact C-O 3.57Å; Q137-M153 VanDerWaalsContact CA-O 3.29Å; Q137-M153 WeakPolarHBondContact CA-O 3.33Å; C138-M153 PolarHBondContact N-O 2.74Å; C138-M153 PolarHBondContact O-N 2.96Å; L140-M153 HydrophobicContact CD2-SD 4.34Å; M153-Y225 HydrophobicContact CE-CD1 3.37Å; M153-Y225 HydrophobicContact CE-CD2 3.98Å; M153-Y225 HydrophobicContact CE-CE1 3.21Å; M153-Y225 HydrophobicContact CE-CE2 3.86Å; M153-Y225 HydrophobicContact CE-CG 3.76Å; M153-Y225 VanDerWaalsContact CE-CZ 3.47Å; M153-Y225 HydrophobicContact SD-CD1 4.47Å
154T71.7Confident67.4Low75 Ų7574.2 Ų74.246%0.4643%0.426SS..EExtended strand (participates in β ladder)trans-91.2120.4172.9-54.10000108.2N136N136-T154 WeakPolarHBondContact ND2-CG2 3.44Å; N136-T154 CarbonylContact O-C 3.6Å; N136-T154 WeakPolarHBondContact O-CA 3.28Å
155C71.5Confident66.9Low19 Ų1975.3 Ų75.313%0.12844%0.437CS..PPolyproline II helixtrans-77.6135.3179.9-690000111N136 C138 C170 C171N136-C155 PolarHBondContact O-N 3.2Å; C138-C155 PolarHBondContact SG-SG 2.78Å; C155-C170 PolarHBondContact SG-O 3.19Å; C155-C171 WeakPolarHBondContact CA-SG 3.43Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.2Å; C155-C171 WeakPolarHBondContact SG-CA 3.41Å; C155-C171 WeakPolarHBondContact SG-CB 3.39Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.74Å
156P72.1Confident66.6Low86 Ų8673.7 Ų73.756%0.55843%0.432SS*.PPolyproline II helixtrans-65.2145.1171.527.6-32.3000110.1P158P156-P158 WeakPolarHBondContact O-CD 3.45Å
157E65.7Low66Low170 Ų17077.5 Ų77.579%0.79445%0.452SS*.PPolyproline II helixtrans-66.7122.6176-72-175172.300110S159E157-S159 PolarHBondContact O-N 2.87Å
158P64.9Low65.7Low44 Ų4478.9 Ų78.929%0.28646%0.463SS..PPolyproline II helixtrans-69.4122.1-179.426.3-32.3000110.2P156 C160 P163P156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-C160 PolarHBondContact O-N 3.49Å; P158-P163 HydrophobicContact CB-CB 3.74Å; P158-P163 HydrophobicContact CB-CG 4.32Å; P158-P163 HydrophobicContact CG-CB 3.41Å; P158-P163 VanDerWaalsContact CG-CB 3.41Å; P158-P163 HydrophobicContact CG-CG 3.55Å
159S62.9Low65.4Low130 Ų13078.1 Ų78.191%0.90946%0.459SS*.SBendtrans-7747.1176.1-47.30000112.2E157E157-S159 PolarHBondContact O-N 2.87Å
160C72.1Confident65.3Low33 Ų3374 Ų7422%0.22345%0.446CS..SBendtrans-141154.7178.366.20000112.7P158 T162 C174P158-C160 PolarHBondContact O-N 3.49Å; C160-T162 VanDerWaalsContact C-N 3.3Å; C160-T162 PolarHBondContact O-N 2.95Å; C160-C174 HydrophobicContact CB-CB 3.72Å; C160-C174 WeakPolarHBondContact CB-SG 3.12Å; C160-C174 WeakPolarHBondContact SG-CB 3.37Å; C160-C174 CovalentContact SG-SG 2.03Å; C160-C174 PolarHBondContact SG-SG 2.74Å
161P65.3Low65.4Low133 Ų13373.6 Ų73.686%0.86444%0.444SS*.SBendtrans-66.8-27.9-173.7-19.231.6000114.1
162T60.5Low65.7Low113 Ų11377.4 Ų77.469%0.69346%0.455SS*.SBendtrans-142.686.7-177.556.90000111.5C160C160-T162 VanDerWaalsContact C-N 3.3Å; C160-T162 PolarHBondContact O-N 2.95Å
163P64.4Low66Low45 Ų4577.1 Ų77.129%0.29246%0.455SS..  trans-77.114517333.1-36.2000111.3P158 Q172P158-P163 HydrophobicContact CB-CB 3.74Å; P158-P163 HydrophobicContact CB-CG 4.32Å; P158-P163 HydrophobicContact CG-CB 3.41Å; P158-P163 VanDerWaalsContact CG-CB 3.41Å; P158-P163 HydrophobicContact CG-CG 3.55Å; P163-Q172 HydrophobicContact CB-CB 3.91Å
164F63Low66.4Low77 Ų7778.1 Ų78.134%0.33847%0.465SS..BIsolated β-bridgetrans-130.5146.5178.571.2-80.4000112.2L166 T173 K175F164-L166 HydrophobicContact CE2-CD2 3.95Å; F164-L166 HydrophobicContact CE2-CG 3.84Å; F164-L166 HydrophobicContact CZ-CG 4.46Å; F164-T173 VanDerWaalsContact CD1-O 3.31Å; F164-T173 WeakPolarHBondContact CD1-O 3.37Å; F164-T173 PolarHBondContact N-O 2.83Å; F164-T173 PolarHBondContact O-N 2.58Å; F164-K175 HydrophobicContact CD1-CB 4.35Å; F164-K175 HydrophobicContact CE1-CB 3.62Å; F164-K175 HydrophobicContact CE1-CG 4.35Å; F164-K175 HydrophobicContact CZ-CB 4.41Å
165P61.4Low66.3Low95 Ų9582.6 Ų82.662%0.61748%0.478SS*.PPolyproline II helixtrans-78.3130.7174.730.2-31.8000110.9
166L58.2Low65.4Low79 Ų7988.9 Ų88.941%0.41451%0.51SS..PPolyproline II helixtrans-89.1148.2167-76.2148.9000109.7F164 D168 S169 T173F164-L166 HydrophobicContact CE2-CD2 3.95Å; F164-L166 HydrophobicContact CE2-CG 3.84Å; F164-L166 HydrophobicContact CZ-CG 4.46Å; L166-D168 PolarHBondContact O-N 2.93Å; L166-S169 WeakPolarHBondContact CA-OG 3.46Å; L166-S169 WeakPolarHBondContact CB-OG 3.47Å; L166-S169 PolarHBondContact N-OG 2.85Å; L166-S169 VanDerWaalsContact N-OG 3.09Å; L166-S169 PolarHBondContact O-N 3.26Å; L166-S169 VanDerWaalsContact O-N 3.17Å; L166-S169 PolarHBondContact O-OG 3.39Å; L166-T173 HydrophobicContact CD1-CG2 4.08Å; L166-T173 WeakPolarHBondContact CD1-OG1 3.27Å
167P51.7Low63.9Low111 Ų11196.5 Ų96.572%0.72153%0.528SS*.THydrogen-bonded Turntrans-54.2135.8166.1-16.829.2000109.4S169P167-S169 PolarHBondContact O-N 2.76Å
168D56.6Low62.8Low142 Ų14294.6 Ų94.676%0.75953%0.528SS*.THydrogen-bonded Turntrans68.84.9-178.4-46.2-40.7000116.6L166L166-D168 PolarHBondContact O-N 2.93Å
169S65.1Low61.4Low32 Ų3297.5 Ų97.522%0.22455%0.549CS..  trans-97.2128.8175.273.90000112.1L166 P167 C171L166-S169 WeakPolarHBondContact CA-OG 3.46Å; L166-S169 WeakPolarHBondContact CB-OG 3.47Å; L166-S169 PolarHBondContact N-OG 2.85Å; L166-S169 VanDerWaalsContact N-OG 3.09Å; L166-S169 PolarHBondContact O-N 3.26Å; L166-S169 VanDerWaalsContact O-N 3.17Å; L166-S169 PolarHBondContact O-OG 3.39Å; P167-S169 PolarHBondContact O-N 2.76Å; S169-C171 VanDerWaalsContact C-N 3.34Å; S169-C171 PolarHBondContact OG-O 2.88Å
170C72.9Confident59.8Low22 Ų22100.7 Ų100.715%0.14955%0.55CS..SBendtrans-70.1-32.9176.2-154.30000111.6C138 L140 C155C138-C170 HydrophobicContact CB-CB 4.1Å; C138-C170 VanDerWaalsContact CB-O 3.22Å; C138-C170 WeakPolarHBondContact CB-O 3.35Å; C138-C170 WeakPolarHBondContact CB-SG 3.33Å; C138-C170 VanDerWaalsContact SG-C 3.5Å; C138-C170 WeakPolarHBondContact SG-CB 3.31Å; C138-C170 PolarHBondContact SG-O 2.82Å; C138-C170 CovalentContact SG-SG 2.01Å; C138-C170 PolarHBondContact SG-SG 3.06Å; L140-C170 HydrophobicContact CD1-CB 4.31Å; C155-C170 PolarHBondContact SG-O 3.19Å
171C75.2Confident57.7Low26 Ų26104.2 Ų104.218%0.17658%0.575CS.*SBendtrans-120.4150.2-174.5-60.80000112.5C155 S169C155-C171 WeakPolarHBondContact CA-SG 3.43Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.2Å; C155-C171 WeakPolarHBondContact SG-CA 3.41Å; C155-C171 WeakPolarHBondContact SG-CB 3.39Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.74Å; S169-C171 VanDerWaalsContact C-N 3.34Å; S169-C171 PolarHBondContact OG-O 2.88Å
172Q76.4Confident55.8Low105 Ų105102.1 Ų102.149%0.49156%0.563SS.*  trans-69.9145.3179-57.6175.2-22.900111.1P163P163-Q172 HydrophobicContact CB-CB 3.91Å
173T70.7Confident54.3Low52 Ų52102.6 Ų102.632%0.31957%0.566SS.*BIsolated β-bridgetrans-123.4156.7179.759.90000110.8F164 L166F164-T173 VanDerWaalsContact CD1-O 3.31Å; F164-T173 WeakPolarHBondContact CD1-O 3.37Å; F164-T173 PolarHBondContact N-O 2.83Å; F164-T173 PolarHBondContact O-N 2.58Å; L166-T173 HydrophobicContact CD1-CG2 4.08Å; L166-T173 WeakPolarHBondContact CD1-OG1 3.27Å
174C73.3Confident52.7Low51 Ų51109.2 Ų109.235%0.34559%0.593SS.*  trans-94.7143.1176.5-56.10000109.4C160 D176C160-C174 HydrophobicContact CB-CB 3.72Å; C160-C174 WeakPolarHBondContact CB-SG 3.12Å; C160-C174 WeakPolarHBondContact SG-CB 3.37Å; C160-C174 CovalentContact SG-SG 2.03Å; C160-C174 PolarHBondContact SG-SG 2.74Å; C174-D176 PolarHBondContact O-N 2.81Å
175K69.3Low50.9Low170 Ų170112.2 Ų112.274%0.73961%0.613SS**  trans-83.6115.8175.8-164.9170.3-178.9174.70108.4F164 R177F164-K175 HydrophobicContact CD1-CB 4.35Å; F164-K175 HydrophobicContact CE1-CB 3.62Å; F164-K175 HydrophobicContact CE1-CG 4.35Å; F164-K175 HydrophobicContact CZ-CB 4.41Å; K175-R177 PolarHBondContact O-N 2.84Å; K175-R177 VanDerWaalsContact O-N 3.13Å
176D50.8Low49.3Very low150 Ų150113.8 Ų113.880%0.80262%0.615SS**  trans-63.6113.2171.2-72.1-27.6000109.2C174 T178C174-D176 PolarHBondContact O-N 2.81Å; D176-T178 PolarHBondContact O-N 2.81Å
177R41.3Very low47.7Very low247 Ų247114.7 Ų114.793%0.93262%0.624SS**  trans-75117.1165.5-86.4-172.9165.9-171.7-3.4107.7K175K175-R177 PolarHBondContact O-N 2.84Å; K175-R177 VanDerWaalsContact O-N 3.13Å
178T41.8Very low46.7Very low130 Ų130117.8 Ų117.880%0.79863%0.629SS**  trans-80.9133.9171.8-1.40000110.4D176D176-T178 PolarHBondContact O-N 2.81Å
179S36.4Very low45.2Very low105 Ų105116.3 Ų116.373%0.73463%0.625SS**  trans102.2139.9152-380000119.4
180E29.5Very low43.4Very low197 Ų197122.4 Ų122.492%0.92165%0.65SS**  trans84130.7172.8-58.2-178.6173.600115.1
181S27.2Very low41.3Very low106 Ų106129.8 Ų129.874%0.74168%0.682SS**  cis-167.5151.414.1176.50000110.4
182S26.4Very low39Very low90 Ų90131.7 Ų131.763%0.62971%0.706SS**  trans57.5116.414159.50000123.4
183T27.9Very low36.6Very low123 Ų123136 Ų13676%0.75573%0.726SS**  25.2139.1119.86.70000122.1
184E31.2Very low34.4Very low184 Ų184144.3 Ų144.386%0.8675%0.752SS**  trans76.3144.3156.9-61.6-179.6-171.800117
185D26.2Very low32.2Very low140 Ų140149.8 Ų149.875%0.74977%0.772SS**  cis-172.1170.6-18.3-1697.2000105.2
186L28Very low30.2Very low127 Ų127148 Ų14867%0.66577%0.771SS**  trans90.9109.9157.1-102.577.7000122.2
187T24.8Very low29.6Very low99 Ų99145.8 Ų145.861%0.60777%0.765SS**  83.7104.4129.345.70000119.6
188Q29.1Very low28.7Very low175 Ų175140.1 Ų140.182%0.81876%0.761SS**  89.9132.1101.2-79.4-175.6-24.500110.9
189V25.2Very low28.5Very low111 Ų111140.3 Ų140.367%0.67377%0.765SS**  -163.9128.558.1167.30000110.1
190Q28.1Very low28.2Very low161 Ų161144.1 Ų144.175%0.75277%0.771SS**  trans31.2128.4139.3-54170.4-22.100121.9
191H28.9Very low28.2Very low177 Ų177143.1 Ų143.182%0.81977%0.772SS**  -175.7115.293.1-121.169.1000108.3
192G25.8Very low28.4Very low66 Ų66140.9 Ų140.968%0.6877%0.765SS**  78.6103.6103.600000110.7
193E26.3Very low28.5Very low194 Ų194146 Ų14691%0.90778%0.776SS**  -163.9149.483.2-152.2130.4123.800113
194R25.8Very low28.5Very low227 Ų227150.7 Ų150.786%0.85778%0.78SS**  trans-42.3135-174.3-67.2161.2173.2156.6-2.3116.1
195Q25.6Very low28.3Very low167 Ų167153.8 Ų153.878%0.7878%0.784SS**  48124.378.4-80.6178.5-59.500113.2
196D27.6Very low28.2Very low133 Ų133150.6 Ų150.671%0.71178%0.784SS**  cis-172.3-17646.9-125.95.1000112.3
197P37.5Very low28.5Very low103 Ų103150.8 Ų150.867%0.66979%0.793SS**  -129.1179.7-121.434.3-11.4000115.1
198C23.6Very low28.5Very low128 Ų128151.2 Ų151.287%0.86580%0.8SS**  trans-130.8134.6155.9-75.30000109.8
199P36.5Very low28.4Very low133 Ų133149 Ų14986%0.86480%0.799SS**  trans-93.8158.1-172.932.6-25.3000114.6
200E31.8Very low28.8Very low186 Ų186149.4 Ų149.487%0.86980%0.803SS**  trans-74.7156.7170.6-82-145.6143.300114.1
201D28.6Very low28.8Very low175 Ų175146.1 Ų146.194%0.93680%0.804SS**  trans-164.9137.5142-108.9-32.8000107.4
202G31.3Very low28.8Very low59 Ų59143.6 Ų143.661%0.60880%0.803SS**  cis166.2148.6-2.400000110.6
203K28.1Very low28.9Very low197 Ų197147 Ų14786%0.85781%0.811SS**  trans72.3141.2150.1-108.5170.6-179.4162.20119.1
204R29.6Very low28.9Very low222 Ų222143.3 Ų143.384%0.83881%0.807SS**  cis-158.3137.627.1-63.6176.5-173.5-1700108.7
205R25.2Very low29.3Very low250 Ų250140.4 Ų140.494%0.94381%0.807SS**  80.398.575.9-155.2-174-110-152.2-0.3117.4
206G25.5Very low29.4Very low73 Ų73137.7 Ų137.775%0.75381%0.807SS**  trans67.7160.8138.900000121.3
207P33.4Very low29.3Very low130 Ų130135.8 Ų135.884%0.84480%0.804SS**  cis-136.6163.222.236.9-16.3000118.5
208S24.2Very low29.4Very low109 Ų109137.2 Ų137.276%0.76281%0.813SS**  trans-69.8161.8164.840.90000112.4
209T28.2Very low30.1Very low129 Ų129138.9 Ų138.979%0.79181%0.812SS**  cis-178.4-17447.6-21.10000106.6
210P34Very low29.9Very low118 Ų118135.2 Ų135.277%0.76680%0.799SS**  cis-128.7174-10.439.6-20.3000115.5
211A27.1Very low30Very low92 Ų92136.3 Ų136.376%0.7680%0.801SS**  trans-80.1166177.900000114.2
212P29.9Very low30.2Very low124 Ų124134.4 Ų134.481%0.80579%0.79SS**  trans-115.6139.2139.634.6-24.6000111.6
213T27.3Very low30.2Very low138 Ų138135.1 Ų135.185%0.84778%0.784SS**  trans-71.8126.3179.6-43.10000111.5
214S26.4Very low30.7Very low117 Ų117135.7 Ų135.782%0.81878%0.78SS**  trans-147.2129.5140.371.80000109.6
215L34.4Very low31.3Very low166 Ų166132.1 Ų132.187%0.86977%0.768SS**  trans-84122.6-175.3-150.783000108
216S26.3Very low31.8Very low110 Ų110126.2 Ų126.277%0.76975%0.75SS**  trans169.6134.1140.938.50000114.5
217S27Very low32.3Very low92 Ų92132.2 Ų132.264%0.64375%0.749SS**  trans80.6107.9164.1-59.20000119.2L219S217-L219 PolarHBondContact O-N 2.77Å
218P39.3Very low32.5Very low134 Ų134132 Ų13287%0.8775%0.748SS**  trans-80.798.9156.332.2-23.7000108
219L37.4Very low32.9Very low162 Ų162136 Ų13685%0.84876%0.757SS**  trans-121.7118.8171.2-83.5159.3000107.6S217S217-L219 PolarHBondContact O-N 2.77Å
220G33.1Very low33.2Very low57 Ų57132.9 Ų132.959%0.58875%0.751SS**  cis-177118.70.700000105.3I222G220-I222 PolarHBondContact O-N 3.28Å
221F33.5Very low33.5Very low208 Ų208134.6 Ų134.691%0.91276%0.759SS**  trans-51.1111.5167.8-81.1-105.8000107.7P223F221-P223 WeakPolarHBondContact O-CD 3.39Å; F221-P223 VanDerWaalsContact O-N 3.11Å
222I32.3Very low34.3Very low135 Ų135134 Ų13469%0.69276%0.762SS**  trans-62.2113.7161.1-59.8170.8000104.8G220 R224G220-I222 PolarHBondContact O-N 3.28Å; I222-R224 PolarHBondContact O-N 3.22Å
223P31.4Very low34.5Very low74 Ų74132.7 Ų132.748%0.48176%0.756SS.*  trans-59.5135178-21.935.6000108.2F221 Y225F221-P223 WeakPolarHBondContact O-CD 3.39Å; F221-P223 VanDerWaalsContact O-N 3.11Å; P223-Y225 HydrophobicContact CB-CD2 3.68Å; P223-Y225 HydrophobicContact CB-CE2 4.38Å; P223-Y225 PolarHBondContact O-N 3.21Å
224R38.9Very low35Very low209 Ų209131.9 Ų131.979%0.78975%0.751SS**G310 helixtrans-60.38.6-178.1-65-176.7-177.6176.62.2114.8I222 F226 R227I222-R224 PolarHBondContact O-N 3.22Å; R224-F226 PolarHBondContact O-N 3.19Å; R224-R227 PolarHBondContact O-N 2.98Å
225Y42.2Very low35.2Very low148 Ų148131.9 Ų131.958%0.5875%0.746SS**G310 helixtrans-72.3-7.3-176.1-73.3-72.1000114.9M153 P223M153-Y225 HydrophobicContact CE-CD1 3.37Å; M153-Y225 HydrophobicContact CE-CD2 3.98Å; M153-Y225 HydrophobicContact CE-CE1 3.21Å; M153-Y225 HydrophobicContact CE-CE2 3.86Å; M153-Y225 HydrophobicContact CE-CG 3.76Å; M153-Y225 VanDerWaalsContact CE-CZ 3.47Å; M153-Y225 HydrophobicContact SD-CD1 4.47Å; P223-Y225 HydrophobicContact CB-CD2 3.68Å; P223-Y225 HydrophobicContact CB-CE2 4.38Å; P223-Y225 PolarHBondContact O-N 3.21Å
226F35.2Very low35.2Very low126 Ų126129.2 Ų129.255%0.55373%0.732SS**G310 helixtrans-108.720.3171.4-79.7-80.8000114L140 R224L140-F226 HydrophobicContact CD2-CE2 4.31Å; R224-F226 PolarHBondContact O-N 3.19Å
227R35.8Very low35.5Very low198 Ų198131.6 Ų131.675%0.74773%0.728SS**SBendtrans-92.6116.2164.2-81.2-174.4180-178.90.3109.7R224 M229R224-R227 PolarHBondContact O-N 2.98Å; R227-M229 PolarHBondContact O-N 3.05Å
228P39.4Very low36.1Very low126 Ų126131.9 Ų131.982%0.81872%0.722SS**  trans-76.797.1176.230.1-29.9000109.2
229M31.4Very low35.9Very low192 Ų192131 Ų13195%0.94671%0.708SS**  trans-162.7125.6151.8-116.5176.3179.100110.7R227R227-M229 PolarHBondContact O-N 3.05Å
230G34.2Very low35.8Very low65 Ų65130 Ų13067%0.6770%0.703SS**SBendtrans100.4101.1172.900000113.6
231T41.3Very low35.8Very low153 Ų153136.1 Ų136.194%0.93971%0.713SS**SBendtrans40.3100151.550.10000117.8
232G43.2Very low36.1Very low79 Ų79133.2 Ų133.281%0.81470%0.703SS**  trans122.34.9146.800000119.9
233S33.6Very low36.6Very low97 Ų97136.4 Ų136.468%0.67871%0.711SS**  trans-110.7103175.1-164.40000112T235S233-T235 PolarHBondContact O-N 3.38Å
234T37.5Very low37.6Very low121 Ų121140.9 Ų140.974%0.74273%0.726SS**  trans-82.797.6172.31.20000109.3I236T234-I236 PolarHBondContact O-N 3.01Å; T234-I236 VanDerWaalsContact O-N 3.15Å
235T32.6Very low38.2Very low117 Ų117137 Ų13772%0.71872%0.715SS**  trans-72.7102.8169.5-51.90000109S233S233-T235 PolarHBondContact O-N 3.38Å
236I34.2Very low39.4Very low111 Ų111137.1 Ų137.157%0.56972%0.718SS**  trans-85.9119.8175.4-54.7176.4000108.7T234 I238T234-I236 PolarHBondContact O-N 3.01Å; T234-I236 VanDerWaalsContact O-N 3.15Å; I236-I238 HydrophobicContact CB-CG1 4.34Å; I236-I238 HydrophobicContact CG2-CD1 4.33Å; I236-I238 HydrophobicContact CG2-CG1 3.6Å; I236-I238 PolarHBondContact O-N 3.27Å; I236-I238 VanDerWaalsContact O-N 3.13Å
237K32.8Very low41Very low160 Ų160133.7 Ų133.770%0.69671%0.713SS**  trans-80.284.6171.2-174.7175.1178.1178.20109.2I239K237-I239 HydrophobicContact CD-CD1 4.34Å; K237-I239 HydrophobicContact CG-CD1 4.28Å; K237-I239 HydrophobicContact CG-CG1 4.09Å; K237-I239 PolarHBondContact O-N 3.4Å; K237-I239 VanDerWaalsContact O-N 3.13Å
238I38.9Very low42.9Very low98 Ų98124.3 Ų124.350%0.50368%0.678SS.*  trans-83.385.3171.8-46.4-178.7000108.5I236 L240I236-I238 HydrophobicContact CB-CG1 4.34Å; I236-I238 HydrophobicContact CG2-CD1 4.33Å; I236-I238 HydrophobicContact CG2-CG1 3.6Å; I236-I238 PolarHBondContact O-N 3.27Å; I236-I238 VanDerWaalsContact O-N 3.13Å; I238-L240 HydrophobicContact CG2-CD1 3.58Å; I238-L240 HydrophobicContact CG2-CG 4.15Å; I238-L240 PolarHBondContact O-N 3.21Å
239I34.4Very low44.9Very low114 Ų114122.4 Ų122.459%0.58566%0.664SS**  trans-79.3102.2158.5-64176.6000105.6K237 K241K237-I239 HydrophobicContact CD-CD1 4.34Å; K237-I239 HydrophobicContact CG-CD1 4.28Å; K237-I239 HydrophobicContact CG-CG1 4.09Å; K237-I239 PolarHBondContact O-N 3.4Å; K237-I239 VanDerWaalsContact O-N 3.13Å; I239-K241 PolarHBondContact O-N 3.06Å
240L35.1Very low46.9Very low141 Ų141115 Ų11574%0.73863%0.627SS**  trans-67.887.1167-83.9100.1000108.7I238I238-L240 HydrophobicContact CG2-CD1 3.58Å; I238-L240 HydrophobicContact CG2-CG 4.15Å; I238-L240 PolarHBondContact O-N 3.21Å
241K34.1Very low48.9Very low186 Ų186116.3 Ų116.381%0.80962%0.618SS**  trans-169.1132.6146.9-109.7164.5-179.5179.30111.6I239I239-K241 PolarHBondContact O-N 3.06Å
242E39.1Very low50.3Low147 Ų147112.5 Ų112.569%0.68761%0.61SS**SBendtrans86.6105.6177.9-87.3159.8-167.600117.7H244 K373E242-H244 PolarHBondContact O-N 3.37Å; E242-K373 IonicContact OE1-NZ 3.9Å; E242-K373 PolarHBondContact OE1-NZ 2.93Å; E242-K373 IonicContact OE2-NZ 2.64Å; E242-K373 PolarHBondContact OE2-NZ 2.93Å
243K43.4Very low51.5Low202 Ų202114.1 Ų114.188%0.87860%0.595SS**  trans4.3103169.5-68.8-177.3176.8-178.20114.4K245K243-K245 PolarHBondContact O-N 3.15Å
244H52.2Low53.1Low169 Ų169114.1 Ų114.178%0.78259%0.591SS**  trans-46.995.2-175.8-59.2-79.7000113.3E242E242-H244 PolarHBondContact O-N 3.37Å
245K51.9Low54.4Low127 Ų127109.6 Ų109.655%0.55256%0.56SS**PPolyproline II helixtrans-71.1135.7162-65.7-173.2176.6-179.60108.7K243 H257 D280K243-K245 PolarHBondContact O-N 3.15Å; K245-H257 HydrophobicContact CB-CB 3.95Å; K245-H257 HydrophobicContact CD-CB 4.3Å; K245-H257 WeakPolarHBondContact CD-CD2 3.43Å; K245-H257 WeakPolarHBondContact CD-NE2 3.21Å; K245-H257 PolarHBondContact NZ-NE2 2.79Å; K245-D280 WeakPolarHBondContact CA-OD1 3.44Å; K245-D280 WeakPolarHBondContact CB-OD1 3.18Å
246K67.3Low55.9Low150 Ų150106.9 Ų106.965%0.65255%0.546SS*.PPolyproline II helixtrans-74.4145.2-174.2-60.8174.6-175.4175.30110.5D280 G281K246-D280 PolarHBondContact N-OD1 3.4Å; K246-D280 CarbonylContact O-C 3.54Å; K246-G281 PolarHBondContact O-N 2.74Å
247A68.8Low57.6Low55 Ų55104.9 Ų104.946%0.45553%0.534SS..PPolyproline II helixtrans-85.7152.4172.700000110.8T254 Y255A247-T254 HydrophobicContact CB-CG2 3.76Å; A247-Y255 CarbonylContact C-O 3.59Å; A247-Y255 WeakPolarHBondContact CA-O 3.4Å; A247-Y255 WeakPolarHBondContact CB-O 3.48Å
248C74.6Confident59.1Low1 Ų199.6 Ų99.61%0.00753%0.525CS..EExtended strand (participates in β ladder)trans-99.3150.9177.5-55.90000110.4T254 Y255 W261 C278 G281 Y282 Q283C248-T254 CarbonylContact O-C 3.55Å; C248-T254 WeakPolarHBondContact O-CA 3.41Å; C248-Y255 PolarHBondContact N-O 3.45Å; C248-Y255 PolarHBondContact O-N 2.84Å; C248-W261 HydrophobicContact CB-CH2 4.19Å; C248-C278 HydrophobicContact CB-CB 3.68Å; C248-C278 WeakPolarHBondContact CB-SG 3.49Å; C248-C278 PolarHBondContact N-SG 2.87Å; C248-C278 WeakPolarHBondContact SG-CA 3.25Å; C248-C278 WeakPolarHBondContact SG-CB 3.43Å; C248-C278 CovalentContact SG-SG 2.04Å; C248-C278 PolarHBondContact SG-SG 3.07Å; C248-G281 VanDerWaalsContact SG-CA 3.6Å; C248-Y282 PolarHBondContact SG-O 3.47Å; C248-Q283 HydrophobicContact CB-CG 3.73Å
249T81.4Confident60Low85 Ų8598.7 Ų98.752%0.52152%0.518SS..EExtended strand (participates in β ladder)trans-128.8118.2177.9-55.40000111K253 Q283T249-K253 CarbonylContact C-O 3.53Å; T249-K253 WeakPolarHBondContact CA-O 3.45Å; T249-Q283 PolarHBondContact O-NE2 2.82Å
250H73.3Confident61.9Low37 Ų3797 Ų9717%0.17151%0.514CS..EExtended strand (participates in β ladder)trans-128.4121.2178.4-179.6-85000110.2G252 K253 Y255 W261 P263 Q283H250-G252 VanDerWaalsContact C-N 3.28Å; H250-G252 PolarHBondContact O-N 3.34Å; H250-K253 PolarHBondContact N-O 3.23Å; H250-K253 PolarHBondContact O-N 3.48Å; H250-Y255 HydrophobicContact CB-CD2 4.38Å; H250-Y255 HydrophobicContact CB-CE2 3.89Å; H250-W261 HydrophobicContact CB-CZ2 4.18Å; H250-W261 AromaticContact CG-NE1 3.88Å; H250-P263 WeakPolarHBondContact CE1-CB 3.31Å; H250-Q283 PolarHBondContact CD2-OE1 2.84Å
251N76.2Confident64Low92 Ų9291 Ų9149%0.49248%0.481SS..THydrogen-bonded Turntrans47.846.2-179.2-68-13.3000114K253 T264N251-K253 PolarHBondContact O-N 2.89Å; N251-T264 PolarHBondContact ND2-O 3.04Å
252G72.8Confident66.1Low74 Ų7486.4 Ų86.476%0.76346%0.462SS*.THydrogen-bonded Turntrans75.50.4178.400000115.1H250H250-G252 VanDerWaalsContact C-N 3.28Å; H250-G252 PolarHBondContact O-N 3.34Å
253K67.4Low68.2Low112 Ų11279.6 Ų79.649%0.48743%0.431SS..EExtended strand (participates in β ladder)trans-97.9134.9171.6-64.4-178.2-179.8179.40110.1T249 H250 N251 Y255T249-K253 CarbonylContact C-O 3.53Å; T249-K253 WeakPolarHBondContact CA-O 3.45Å; H250-K253 PolarHBondContact N-O 3.23Å; H250-K253 PolarHBondContact O-N 3.48Å; N251-K253 PolarHBondContact O-N 2.89Å; K253-Y255 HydrophobicContact CB-CE2 3.68Å; K253-Y255 WeakPolarHBondContact O-CE2 3.49Å
254T66.7Low70Confident97 Ų9772 Ų7260%0.59540%0.401SS*.EExtended strand (participates in β ladder)trans-99.7132.6177.1-54.80000109.9A247 C248A247-T254 HydrophobicContact CB-CG2 3.76Å; C248-T254 CarbonylContact O-C 3.55Å; C248-T254 WeakPolarHBondContact O-CA 3.41Å
255Y66.1Low71.2Confident26 Ų2666.4 Ų66.410%0.10238%0.379CS..EExtended strand (participates in β ladder)trans-117.5130.9-178.7-61.5-86.2000109.9A247 C248 H250 K253 E259 W261A247-Y255 CarbonylContact C-O 3.59Å; A247-Y255 WeakPolarHBondContact CA-O 3.4Å; A247-Y255 WeakPolarHBondContact CB-O 3.48Å; C248-Y255 PolarHBondContact N-O 3.45Å; C248-Y255 PolarHBondContact O-N 2.84Å; H250-Y255 HydrophobicContact CB-CD2 4.38Å; H250-Y255 HydrophobicContact CB-CE2 3.89Å; K253-Y255 HydrophobicContact CB-CE2 3.68Å; K253-Y255 WeakPolarHBondContact O-CE2 3.49Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.28Å; Y255-E259 HydrophobicContact CD1-CB 4.45Å; Y255-W261 HydrophobicContact CD1-CB 4.16Å; Y255-W261 AromaticContact CD1-CD2 3.57Å; Y255-W261 HydrophobicContact CD1-CD2 3.57Å; Y255-W261 AromaticContact CD1-CE3 3.35Å; Y255-W261 HydrophobicContact CD1-CE3 3.35Å; Y255-W261 AromaticContact CD1-CG 3.94Å; Y255-W261 HydrophobicContact CD1-CG 3.94Å; Y255-W261 AromaticContact CD1-CZ3 3.96Å; Y255-W261 HydrophobicContact CD1-CZ3 3.96Å; Y255-W261 AromaticContact CD2-CD2 3.92Å; Y255-W261 HydrophobicContact CD2-CD2 3.92Å; Y255-W261 AromaticContact CD2-CE2 3.81Å; Y255-W261 HydrophobicContact CD2-CE3 4.05Å; Y255-W261 HydrophobicContact CD2-CH2 4.04Å; Y255-W261 AromaticContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ3 4.09Å; Y255-W261 HydrophobicContact CE1-CB 3.46Å; Y255-W261 VanDerWaalsContact CE1-CB 3.46Å; Y255-W261 AromaticContact CE1-CD1 3.96Å; Y255-W261 AromaticContact CE1-CD2 3.48Å; Y255-W261 HydrophobicContact CE1-CD2 3.48Å; Y255-W261 VanDerWaalsContact CE1-CD2 3.48Å; Y255-W261 AromaticContact CE1-CE3 3.78Å; Y255-W261 HydrophobicContact CE1-CE3 3.78Å; Y255-W261 AromaticContact CE1-CG 3.34Å; Y255-W261 HydrophobicContact CE1-CG 3.34Å; Y255-W261 AromaticContact CE2-CD2 3.88Å; Y255-W261 HydrophobicContact CE2-CD2 3.88Å; Y255-W261 AromaticContact CE2-CE2 3.72Å; Y255-W261 HydrophobicContact CE2-CE3 4.44Å; Y255-W261 HydrophobicContact CE2-CG 4.11Å; Y255-W261 HydrophobicContact CE2-CZ2 4.19Å; Y255-W261 AromaticContact CE2-NE1 3.82Å; Y255-W261 AromaticContact CG-CD2 3.77Å; Y255-W261 HydrophobicContact CG-CD2 3.77Å; Y255-W261 AromaticContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CE3 3.48Å; Y255-W261 VanDerWaalsContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CG 4.5Å; Y255-W261 HydrophobicContact CG-CH2 4.01Å; Y255-W261 HydrophobicContact CG-CZ2 4.25Å; Y255-W261 AromaticContact CG-CZ3 3.6Å; Y255-W261 HydrophobicContact CG-CZ3 3.6Å; Y255-W261 AromaticContact CZ-CD1 3.54Å; Y255-W261 AromaticContact CZ-CD2 3.62Å; Y255-W261 AromaticContact CZ-CE2 3.88Å; Y255-W261 AromaticContact CZ-CG 3.42Å; Y255-W261 VanDerWaalsContact CZ-CG 3.42Å; Y255-W261 AromaticContact CZ-NE1 3.8Å
256S63.1Low71.8Confident60 Ų6068.7 Ų68.742%0.4240%0.396SS..  trans-74.4157.4176.775.70000111.6G258 E259 C278S256-G258 PolarHBondContact O-N 3.39Å; S256-E259 WeakPolarHBondContact CB-OE1 3.04Å; S256-E259 PolarHBondContact N-OE1 2.88Å; S256-E259 PolarHBondContact N-OE2 2.77Å; S256-E259 WeakPolarHBondContact O-CB 3.5Å; S256-E259 PolarHBondContact O-N 2.98Å; S256-E259 VanDerWaalsContact OG-CG 3.28Å; S256-E259 WeakPolarHBondContact OG-CG 3.44Å; S256-E259 PolarHBondContact OG-OE1 2.83Å; S256-C278 VanDerWaalsContact O-CB 3.29Å; S256-C278 WeakPolarHBondContact O-CB 3.03Å
257H69.1Low71.9Confident70 Ų7066.1 Ų66.132%0.32440%0.397SS..THydrogen-bonded Turntrans-56.8124.9177.517391.8000110.7K245 D280K245-H257 HydrophobicContact CB-CB 3.95Å; K245-H257 HydrophobicContact CD-CB 4.3Å; K245-H257 WeakPolarHBondContact CD-CD2 3.43Å; K245-H257 WeakPolarHBondContact CD-NE2 3.21Å; K245-H257 PolarHBondContact NZ-NE2 2.79Å; H257-D280 WeakPolarHBondContact ND1-CA 3.29Å; H257-D280 PolarHBondContact ND1-N 2.85Å
258G64.6Low71.7Confident48 Ų4871.8 Ų71.850%0.49541%0.412SS..THydrogen-bonded Turntrans93-8.1-176.500000114.7S256 C278S256-G258 PolarHBondContact O-N 3.39Å; G258-C278 PolarHBondContact N-O 2.75Å
259E57.9Low71.7Confident79 Ų7973 Ų7337%0.36943%0.425SS..  trans-70.7144.8174.3-79.9175.1-162.200112.1Y255 S256 W261 T277 C278Y255-E259 WeakPolarHBondContact CA-OE2 3.28Å; Y255-E259 HydrophobicContact CD1-CB 4.45Å; S256-E259 WeakPolarHBondContact CB-OE1 3.04Å; S256-E259 PolarHBondContact N-OE1 2.88Å; S256-E259 PolarHBondContact N-OE2 2.77Å; S256-E259 WeakPolarHBondContact O-CB 3.5Å; S256-E259 PolarHBondContact O-N 2.98Å; S256-E259 VanDerWaalsContact OG-CG 3.28Å; S256-E259 WeakPolarHBondContact OG-CG 3.44Å; S256-E259 PolarHBondContact OG-OE1 2.83Å; E259-W261 WeakPolarHBondContact O-CZ3 3.44Å; E259-T277 CarbonylContact O-C 3.48Å; E259-T277 VanDerWaalsContact O-CA 3.3Å; E259-T277 WeakPolarHBondContact O-CA 3.4Å; E259-C278 PolarHBondContact O-N 2.84Å
260V74.4Confident71.3Confident80 Ų8073.2 Ų73.249%0.48543%0.428SS..EExtended strand (participates in β ladder)trans-122.1134.7-178.4-173.60000109.7L275 C276 T277V260-L275 HydrophobicContact CG1-CD1 3.33Å; V260-L275 HydrophobicContact CG1-CD2 3.92Å; V260-L275 HydrophobicContact CG1-CG 3.5Å; V260-C276 CarbonylContact C-O 3.55Å; V260-C276 WeakPolarHBondContact CA-O 3.01Å; V260-C276 WeakPolarHBondContact CG1-O 3.04Å; V260-T277 HydrophobicContact CG2-CG2 4Å
261W79.7Confident71.2Confident15 Ų1574.7 Ų74.76%0.05744%0.436CS..EExtended strand (participates in β ladder)trans-147.6158.7-179.169.697.5000113.7C248 H250 Y255 E259 C276 C278 Q283C248-W261 HydrophobicContact CB-CH2 4.19Å; H250-W261 HydrophobicContact CB-CZ2 4.18Å; H250-W261 AromaticContact CG-NE1 3.88Å; Y255-W261 HydrophobicContact CD1-CB 4.16Å; Y255-W261 AromaticContact CD1-CD2 3.57Å; Y255-W261 HydrophobicContact CD1-CD2 3.57Å; Y255-W261 AromaticContact CD1-CE3 3.35Å; Y255-W261 HydrophobicContact CD1-CE3 3.35Å; Y255-W261 AromaticContact CD1-CG 3.94Å; Y255-W261 HydrophobicContact CD1-CG 3.94Å; Y255-W261 AromaticContact CD1-CZ3 3.96Å; Y255-W261 HydrophobicContact CD1-CZ3 3.96Å; Y255-W261 AromaticContact CD2-CD2 3.92Å; Y255-W261 HydrophobicContact CD2-CD2 3.92Å; Y255-W261 AromaticContact CD2-CE2 3.81Å; Y255-W261 HydrophobicContact CD2-CE3 4.05Å; Y255-W261 HydrophobicContact CD2-CH2 4.04Å; Y255-W261 AromaticContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ3 4.09Å; Y255-W261 HydrophobicContact CE1-CB 3.46Å; Y255-W261 VanDerWaalsContact CE1-CB 3.46Å; Y255-W261 AromaticContact CE1-CD1 3.96Å; Y255-W261 AromaticContact CE1-CD2 3.48Å; Y255-W261 HydrophobicContact CE1-CD2 3.48Å; Y255-W261 VanDerWaalsContact CE1-CD2 3.48Å; Y255-W261 AromaticContact CE1-CE3 3.78Å; Y255-W261 HydrophobicContact CE1-CE3 3.78Å; Y255-W261 AromaticContact CE1-CG 3.34Å; Y255-W261 HydrophobicContact CE1-CG 3.34Å; Y255-W261 AromaticContact CE2-CD2 3.88Å; Y255-W261 HydrophobicContact CE2-CD2 3.88Å; Y255-W261 AromaticContact CE2-CE2 3.72Å; Y255-W261 HydrophobicContact CE2-CE3 4.44Å; Y255-W261 HydrophobicContact CE2-CG 4.11Å; Y255-W261 HydrophobicContact CE2-CZ2 4.19Å; Y255-W261 AromaticContact CE2-NE1 3.82Å; Y255-W261 AromaticContact CG-CD2 3.77Å; Y255-W261 HydrophobicContact CG-CD2 3.77Å; Y255-W261 AromaticContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CE3 3.48Å; Y255-W261 VanDerWaalsContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CG 4.5Å; Y255-W261 HydrophobicContact CG-CH2 4.01Å; Y255-W261 HydrophobicContact CG-CZ2 4.25Å; Y255-W261 AromaticContact CG-CZ3 3.6Å; Y255-W261 HydrophobicContact CG-CZ3 3.6Å; Y255-W261 AromaticContact CZ-CD1 3.54Å; Y255-W261 AromaticContact CZ-CD2 3.62Å; Y255-W261 AromaticContact CZ-CE2 3.88Å; Y255-W261 AromaticContact CZ-CG 3.42Å; Y255-W261 VanDerWaalsContact CZ-CG 3.42Å; Y255-W261 AromaticContact CZ-NE1 3.8Å; E259-W261 WeakPolarHBondContact O-CZ3 3.44Å; W261-C276 HydrophobicContact CD2-CB 3.83Å; W261-C276 HydrophobicContact CE3-CB 4.33Å; W261-C276 HydrophobicContact CG-CB 4.32Å; W261-C276 HydrophobicContact CH2-CB 4.09Å; W261-C276 HydrophobicContact CZ2-CB 3.54Å; W261-C276 HydrophobicContact CZ3-CB 4.45Å; W261-C276 PolarHBondContact N-O 3.43Å; W261-C276 PolarHBondContact O-N 2.05Å; W261-C278 HydrophobicContact CH2-CB 4.05Å; W261-C278 HydrophobicContact CZ3-CB 3.76Å; W261-C278 VanDerWaalsContact CZ3-N 3.33Å; W261-Q283 HydrophobicContact CH2-CG 4.07Å; W261-Q283 HydrophobicContact CZ2-CG 4.04Å
262H78.3Confident71.1Confident88 Ų8872 Ų7241%0.40742%0.423SS..  trans-91.7123.8165.2-59.691.8000108.7P272 I274H262-P272 PolarHBondContact CD2-O 2.86Å; H262-P272 VanDerWaalsContact CD2-O 3.28Å; H262-P272 PolarHBondContact NE2-O 3.06Å; H262-I274 WeakPolarHBondContact CA-O 3.03Å; H262-I274 PolarHBondContact CD2-O 2.89Å
263P82.3Confident71.4Confident4 Ų470 Ų703%0.02640%0.397CS..  trans-66143.4179.627.2-32.5000110.3H250 M271 I274H250-P263 WeakPolarHBondContact CE1-CB 3.31Å; P263-M271 HydrophobicContact CB-CE 4.08Å; P263-M271 HydrophobicContact CG-CB 4.42Å; P263-M271 HydrophobicContact CG-CE 3.59Å; P263-M271 PolarHBondContact O-N 3.48Å; P263-I274 WeakPolarHBondContact CD-O 3.47Å; P263-I274 HydrophobicContact CG-CB 3.8Å; P263-I274 HydrophobicContact CG-CG2 3.57Å
264T81.5Confident71.9Confident42 Ų4266.7 Ų66.726%0.25838%0.384SS..EExtended strand (participates in β ladder)trans-106.8125.6176.740.80000108.3N251 G269 P270N251-T264 PolarHBondContact ND2-O 3.04Å; T264-G269 WeakPolarHBondContact CA-O 3.29Å; T264-P270 HydrophobicContact CG2-CB 3.89Å
265V77.2Confident72.6Confident52 Ų5264.1 Ų64.132%0.31537%0.367SS..EExtended strand (participates in β ladder)trans-98.2131.7174.3-176.20000107.6S267 F268 G269 M271V265-S267 PolarHBondContact O-N 2.64Å; V265-F268 HydrophobicContact CB-CB 4.27Å; V265-F268 HydrophobicContact CG1-CD2 3.98Å; V265-F268 PolarHBondContact O-N 3.05Å; V265-G269 PolarHBondContact N-O 3.18Å; V265-G269 PolarHBondContact O-N 2.85Å; V265-M271 HydrophobicContact CG2-CE 3.49Å; V265-M271 VanDerWaalsContact CG2-CE 3.49Å; V265-M271 HydrophobicContact CG2-CG 4.13Å; V265-M271 HydrophobicContact CG2-SD 3.68Å
266L65.9Low73.2Confident175 Ų17563 Ų6392%0.91636%0.362SS*.THydrogen-bonded Turntrans-50.4-28.3-170.2-71.5163000114.3
267S69.4Low73.7Confident96 Ų9661.7 Ų61.767%0.67135%0.352SS*.THydrogen-bonded Turntrans-108.4-13.4-18039.90000115.5V265V265-S267 PolarHBondContact O-N 2.64Å
268F64.6Low74.1Confident174 Ų17458.3 Ų58.376%0.76334%0.336SS*.THydrogen-bonded Turntrans-120.6-2.8-172.9-64.2-82.8000114V265V265-F268 HydrophobicContact CB-CB 4.27Å; V265-F268 HydrophobicContact CG1-CD2 3.98Å; V265-F268 PolarHBondContact O-N 3.05Å
269G73.1Confident74.7Confident28 Ų2859.3 Ų59.329%0.28933%0.333SS..EExtended strand (participates in β ladder)trans75.7-163.8179.200000113.2T264 V265 M271T264-G269 WeakPolarHBondContact CA-O 3.29Å; V265-G269 PolarHBondContact N-O 3.18Å; V265-G269 PolarHBondContact O-N 2.85Å; G269-M271 PolarHBondContact O-N 2.88Å
270P72.8Confident75.5Confident89 Ų8959.3 Ų59.358%0.57834%0.335SS*.EExtended strand (participates in β ladder)trans-65.7133.1178.826.7-32.1000110.4T264 P272T264-P270 HydrophobicContact CG2-CB 3.89Å; P270-P272 WeakPolarHBondContact O-CD 3.24Å
271M72.5Confident75.5Confident68 Ų6857 Ų5734%0.33533%0.328SS..  trans-90.994.8174.5-66-166.6-69.500109.3P263 V265 G269 C273 I274P263-M271 HydrophobicContact CB-CE 4.08Å; P263-M271 HydrophobicContact CG-CB 4.42Å; P263-M271 HydrophobicContact CG-CE 3.59Å; P263-M271 PolarHBondContact O-N 3.48Å; V265-M271 HydrophobicContact CG2-CE 3.49Å; V265-M271 VanDerWaalsContact CG2-CE 3.49Å; V265-M271 HydrophobicContact CG2-CG 4.13Å; V265-M271 HydrophobicContact CG2-SD 3.68Å; G269-M271 PolarHBondContact O-N 2.88Å; M271-C273 PolarHBondContact O-N 2.98Å; M271-C273 VanDerWaalsContact O-N 3.08Å; M271-I274 HydrophobicContact CB-CB 4.32Å; M271-I274 HydrophobicContact CB-CG1 4.22Å; M271-I274 HydrophobicContact CE-CG1 4.31Å; M271-I274 PolarHBondContact O-N 3.45Å; M271-I274 HydrophobicContact SD-CG1 4.47Å
272P73.8Confident75.5Confident35 Ų3563.9 Ų63.923%0.22736%0.355CS..THydrogen-bonded Turntrans-67.5-16-172.730.6-38.8000113H262 P270 G304 C306H262-P272 PolarHBondContact CD2-O 2.86Å; H262-P272 VanDerWaalsContact CD2-O 3.28Å; H262-P272 PolarHBondContact NE2-O 3.06Å; P270-P272 WeakPolarHBondContact O-CD 3.24Å; P272-G304 WeakPolarHBondContact CB-O 2.96Å; P272-C306 HydrophobicContact CB-CB 4.43Å; P272-C306 WeakPolarHBondContact O-CB 3.07Å
273C78.4Confident75.6Confident31 Ų3162.6 Ų62.621%0.20935%0.349CS..THydrogen-bonded Turntrans-96.35.5179.9-68.70000114.7M271 R287 V288 C306M271-C273 PolarHBondContact O-N 2.98Å; M271-C273 VanDerWaalsContact O-N 3.08Å; C273-R287 CarbonylContact O-C 3.51Å; C273-R287 WeakPolarHBondContact O-CA 3.26Å; C273-V288 PolarHBondContact O-N 3.46Å; C273-C306 WeakPolarHBondContact CA-SG 2.99Å; C273-C306 HydrophobicContact CB-CB 3.96Å; C273-C306 WeakPolarHBondContact CB-SG 3.38Å; C273-C306 WeakPolarHBondContact SG-CA 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 3.22Å; C273-C306 CovalentContact SG-SG 2.04Å; C273-C306 PolarHBondContact SG-SG 2.05Å
274I79.1Confident75.6Confident44 Ų4466 Ų6623%0.22637%0.367CS..EExtended strand (participates in β ladder)trans-118.8126.8173.1-57.4-63.7000107.4H262 P263 M271 C285 R287H262-I274 WeakPolarHBondContact CA-O 3.03Å; H262-I274 PolarHBondContact CD2-O 2.89Å; P263-I274 WeakPolarHBondContact CD-O 3.47Å; P263-I274 HydrophobicContact CG-CB 3.8Å; P263-I274 HydrophobicContact CG-CG2 3.57Å; M271-I274 HydrophobicContact CB-CB 4.32Å; M271-I274 HydrophobicContact CB-CG1 4.22Å; M271-I274 HydrophobicContact CE-CG1 4.31Å; M271-I274 PolarHBondContact O-N 3.45Å; M271-I274 HydrophobicContact SD-CG1 4.47Å; I274-C285 HydrophobicContact CG2-CB 4.35Å; I274-R287 HydrophobicContact CD1-CB 4.15Å; I274-R287 HydrophobicContact CD1-CG 4.21Å
275L80.2Confident75.5Confident43 Ų4366.9 Ų66.923%0.22537%0.374CS..EExtended strand (participates in β ladder)trans-118.8121179.6-167.567.7000108.8V260 C285 H286 V288V260-L275 HydrophobicContact CG1-CD1 3.33Å; V260-L275 HydrophobicContact CG1-CD2 3.92Å; V260-L275 HydrophobicContact CG1-CG 3.5Å; L275-C285 WeakPolarHBondContact O-CA 3.45Å; L275-H286 PolarHBondContact N-O 3.42Å; L275-H286 PolarHBondContact O-N 3.31Å; L275-H286 PolarHBondContact O-ND1 3.28Å; L275-V288 HydrophobicContact CB-CG2 4.14Å
276C78.9Confident75.6Confident1 Ų168.8 Ų68.81%0.00738%0.379CS..EExtended strand (participates in β ladder)trans-111.9140.4179.8-65.30000110.4V260 W261 D284 C285V260-C276 CarbonylContact C-O 3.55Å; V260-C276 WeakPolarHBondContact CA-O 3.01Å; V260-C276 WeakPolarHBondContact CG1-O 3.04Å; W261-C276 HydrophobicContact CD2-CB 3.83Å; W261-C276 HydrophobicContact CE3-CB 4.33Å; W261-C276 HydrophobicContact CG-CB 4.32Å; W261-C276 HydrophobicContact CH2-CB 4.09Å; W261-C276 HydrophobicContact CZ2-CB 3.54Å; W261-C276 HydrophobicContact CZ3-CB 4.45Å; W261-C276 PolarHBondContact N-O 3.43Å; W261-C276 PolarHBondContact O-N 2.05Å; C276-D284 CarbonylContact C-O 3.53Å; C276-D284 VanDerWaalsContact CA-O 3.3Å; C276-D284 WeakPolarHBondContact CA-O 3.09Å; C276-C285 HydrophobicContact CB-CB 4.11Å; C276-C285 WeakPolarHBondContact CB-SG 3.01Å; C276-C285 WeakPolarHBondContact SG-CB 3.35Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.45Å
277T73.6Confident75.8Confident33 Ų3369.5 Ų69.520%0.20237%0.37CS..EExtended strand (participates in β ladder)trans-125.6139.5176.2-54.40000109.9E259 V260 V279 D284E259-T277 CarbonylContact O-C 3.48Å; E259-T277 VanDerWaalsContact O-CA 3.3Å; E259-T277 WeakPolarHBondContact O-CA 3.4Å; V260-T277 HydrophobicContact CG2-CG2 4Å; T277-V279 HydrophobicContact CG2-CG2 4.3Å; T277-D284 PolarHBondContact N-O 3.13Å; T277-D284 PolarHBondContact O-N 2.91Å
278C77Confident76Confident0 Ų067 Ų670%035%0.35CS..EExtended strand (participates in β ladder)trans-87.8113.4176.4-177.90000111C248 S256 G258 E259 W261C248-C278 HydrophobicContact CB-CB 3.68Å; C248-C278 WeakPolarHBondContact CB-SG 3.49Å; C248-C278 PolarHBondContact N-SG 2.87Å; C248-C278 WeakPolarHBondContact SG-CA 3.25Å; C248-C278 WeakPolarHBondContact SG-CB 3.43Å; C248-C278 CovalentContact SG-SG 2.04Å; C248-C278 PolarHBondContact SG-SG 3.07Å; S256-C278 VanDerWaalsContact O-CB 3.29Å; S256-C278 WeakPolarHBondContact O-CB 3.03Å; G258-C278 PolarHBondContact N-O 2.75Å; E259-C278 PolarHBondContact O-N 2.84Å; W261-C278 HydrophobicContact CH2-CB 4.05Å; W261-C278 HydrophobicContact CZ3-CB 3.76Å; W261-C278 VanDerWaalsContact CZ3-N 3.33Å
279V77.3Confident76.6Confident69 Ų6964.9 Ų64.942%0.41835%0.352SS..EExtended strand (participates in β ladder)trans-114.986178.2-171.70000109.1T277 G281 Y282 D284T277-V279 HydrophobicContact CG2-CG2 4.3Å; V279-G281 PolarHBondContact O-N 2.78Å; V279-Y282 PolarHBondContact N-O 3.25Å; V279-Y282 WeakPolarHBondContact O-CB 3.39Å; V279-Y282 PolarHBondContact O-N 3.08Å; V279-D284 HydrophobicContact CG2-CB 4.34Å
280D75.4Confident76.7Confident79 Ų7965.5 Ų65.542%0.42235%0.351SS..THydrogen-bonded Turntrans59.449.4170.2-165.720.7000112.2K245 K246 H257 Y282K245-D280 WeakPolarHBondContact CA-OD1 3.44Å; K245-D280 WeakPolarHBondContact CB-OD1 3.18Å; K246-D280 PolarHBondContact N-OD1 3.4Å; K246-D280 CarbonylContact O-C 3.54Å; H257-D280 WeakPolarHBondContact ND1-CA 3.29Å; H257-D280 PolarHBondContact ND1-N 2.85Å; D280-Y282 VanDerWaalsContact C-N 3.26Å; D280-Y282 PolarHBondContact O-N 3.24Å
281G74.2Confident77Confident32 Ų3264.8 Ų64.833%0.3335%0.347SS..THydrogen-bonded Turntrans85.6-11.5-177.800000114.4K246 C248 V279K246-G281 PolarHBondContact O-N 2.74Å; C248-G281 VanDerWaalsContact SG-CA 3.6Å; V279-G281 PolarHBondContact O-N 2.78Å
282Y80.2Confident77.1Confident159 Ų15968.1 Ų68.162%0.62437%0.371SS*.EExtended strand (participates in β ladder)trans-92.4134.2173.7-176.9-101.1000111.6C248 V279 D280 D284C248-Y282 PolarHBondContact SG-O 3.47Å; V279-Y282 PolarHBondContact N-O 3.25Å; V279-Y282 WeakPolarHBondContact O-CB 3.39Å; V279-Y282 PolarHBondContact O-N 3.08Å; D280-Y282 VanDerWaalsContact C-N 3.26Å; D280-Y282 PolarHBondContact O-N 3.24Å; Y282-D284 HydrophobicContact CD1-CB 4.2Å; Y282-D284 HydrophobicContact CE1-CB 4.06Å
283Q80.3Confident77.1Confident61 Ų6174.5 Ų74.529%0.28540%0.398SS..EExtended strand (participates in β ladder)trans-92.3109.8175.7-66.6175.355.500109.2C248 T249 H250 W261C248-Q283 HydrophobicContact CB-CG 3.73Å; T249-Q283 PolarHBondContact O-NE2 2.82Å; H250-Q283 PolarHBondContact CD2-OE1 2.84Å; W261-Q283 HydrophobicContact CH2-CG 4.07Å; W261-Q283 HydrophobicContact CZ2-CG 4.04Å
284D81.6Confident76.7Confident76 Ų7675.4 Ų75.441%0.40640%0.397SS..EExtended strand (participates in β ladder)trans-99.6106.2176-175.935.2000109.7C276 T277 V279 Y282C276-D284 CarbonylContact C-O 3.53Å; C276-D284 VanDerWaalsContact CA-O 3.3Å; C276-D284 WeakPolarHBondContact CA-O 3.09Å; T277-D284 PolarHBondContact N-O 3.13Å; T277-D284 PolarHBondContact O-N 2.91Å; V279-D284 HydrophobicContact CG2-CB 4.34Å; Y282-D284 HydrophobicContact CD1-CB 4.2Å; Y282-D284 HydrophobicContact CE1-CB 4.06Å
285C80.8Confident76.4Confident60 Ų6078.8 Ų78.841%0.40542%0.422SS..EExtended strand (participates in β ladder)trans-115.4131.1-175.9-60.40000111I274 L275 C276I274-C285 HydrophobicContact CG2-CB 4.35Å; L275-C285 WeakPolarHBondContact O-CA 3.45Å; C276-C285 HydrophobicContact CB-CB 4.11Å; C276-C285 WeakPolarHBondContact CB-SG 3.01Å; C276-C285 WeakPolarHBondContact SG-CB 3.35Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.45Å
286H78Confident76.3Confident92 Ų9278.6 Ų78.643%0.42642%0.424SS..EExtended strand (participates in β ladder)trans-131.8158.317661.9-81.6000111.5L275L275-H286 PolarHBondContact N-O 3.42Å; L275-H286 PolarHBondContact O-N 3.31Å; L275-H286 PolarHBondContact O-ND1 3.28Å
287R70.2Confident76.3Confident189 Ų18984.6 Ų84.671%0.71347%0.466SS*.EExtended strand (participates in β ladder)trans-83.5132.1176.3-171.6178.2-176.7125.8-1.8109.8C273 I274 T289C273-R287 CarbonylContact O-C 3.51Å; C273-R287 WeakPolarHBondContact O-CA 3.26Å; I274-R287 HydrophobicContact CD1-CB 4.15Å; I274-R287 HydrophobicContact CD1-CG 4.21Å; R287-T289 PolarHBondContact O-N 2.04Å
288V74.7Confident76.6Confident44 Ų4490.1 Ų90.127%0.26749%0.489SS..PPolyproline II helixtrans-70.2119171-179.90000108.5C273 L275 C306C273-V288 PolarHBondContact O-N 3.46Å; L275-V288 HydrophobicContact CB-CG2 4.14Å; V288-C306 HydrophobicContact CB-CB 4.43Å; V288-C306 HydrophobicContact CG1-CB 4.24Å
289T76.5Confident76.9Confident130 Ų13091.7 Ų91.780%0.79850%0.499SS*.PPolyproline II helixtrans-91120.3175.6-57.50000109.3R287R287-T289 PolarHBondContact O-N 2.04Å
290C74.9Confident77Confident41 Ų4194.2 Ų94.228%0.27751%0.505SS..PPolyproline II helixtrans-85.1150178.4-66.80000111.9C307C290-C307 WeakPolarHBondContact CA-SG 3.07Å; C290-C307 HydrophobicContact CB-CB 3.88Å; C290-C307 WeakPolarHBondContact CB-SG 3.05Å; C290-C307 WeakPolarHBondContact SG-CA 3.4Å; C290-C307 WeakPolarHBondContact SG-CB 3.26Å; C290-C307 CovalentContact SG-SG 2.05Å; C290-C307 PolarHBondContact SG-SG 3.15Å
291P78.5Confident77.5Confident73 Ų7396.4 Ų96.447%0.47451%0.511SS..PPolyproline II helixtrans-63.7143.817527.3-33.5000110.5Y294P291-Y294 HydrophobicContact CG-CD1 4.36Å; P291-Y294 HydrophobicContact CG-CE1 3.72Å; P291-Y294 HydrophobicContact CG-CE2 4.31Å; P291-Y294 WeakPolarHBondContact O-CE2 3.34Å
292T75.2Confident77.8Confident138 Ų13897.7 Ų97.785%0.84751%0.512SS*.SBendtrans-80.7-23.1176.151.90000112.1
293Q73.6Confident77.7Confident169 Ų16994.9 Ų94.979%0.7952%0.521SS*.  trans-118.2133.1179-60.2-174.553.200109.8
294Y70.5Confident77.3Confident51 Ų5195 Ų9520%0.254%0.54CS..  trans-118.7150.7-179.7-73.6-89.1000109.8P291 C296 P299 C307 K308P291-Y294 HydrophobicContact CG-CD1 4.36Å; P291-Y294 HydrophobicContact CG-CE1 3.72Å; P291-Y294 HydrophobicContact CG-CE2 4.31Å; P291-Y294 WeakPolarHBondContact O-CE2 3.34Å; Y294-C296 PolarHBondContact O-N 3.13Å; Y294-P299 HydrophobicContact CD1-CB 4.11Å; Y294-P299 HydrophobicContact CD2-CB 3.9Å; Y294-P299 HydrophobicContact CD2-CG 3.84Å; Y294-P299 HydrophobicContact CG-CB 3.65Å; Y294-P299 HydrophobicContact CG-CG 3.98Å; Y294-C307 WeakPolarHBondContact OH-CB 3.33Å; Y294-K308 HydrophobicContact CE1-CB 4.02Å; Y294-K308 WeakPolarHBondContact CE1-O 3.19Å; Y294-K308 HydrophobicContact CE2-CB 4.18Å; Y294-K308 HydrophobicContact CE2-CD 4.25Å; Y294-K308 PolarHBondContact OH-N 3.22Å
295P73.1Confident77.1Confident115 Ų11597.4 Ų97.475%0.74755%0.546SS*.SBendtrans-71.33.1-175.828.6-34.9000114.6
296C77.3Confident77.1Confident38 Ų3895.4 Ų95.426%0.25753%0.533SS..SBendtrans-129.2153.7177.5610000110.7Y294 Q298 C310Y294-C296 PolarHBondContact O-N 3.13Å; C296-Q298 VanDerWaalsContact C-N 3.26Å; C296-Q298 PolarHBondContact O-N 2.05Å; C296-C310 HydrophobicContact CB-CB 3.6Å; C296-C310 WeakPolarHBondContact CB-SG 3.39Å; C296-C310 PolarHBondContact N-SG 3.31Å; C296-C310 VanDerWaalsContact N-SG 3.4Å; C296-C310 WeakPolarHBondContact SG-CA 3.09Å; C296-C310 WeakPolarHBondContact SG-CB 3.35Å; C296-C310 CovalentContact SG-SG 2.03Å; C296-C310 PolarHBondContact SG-SG 2.86Å
297S79.7Confident77.3Confident128 Ų12892.6 Ų92.690%0.89552%0.523SS*.SBendtrans-64.9-28.9179.6-48.60000113.2
298Q79Confident77.9Confident148 Ų14888.4 Ų88.469%0.69251%0.51SS*.SBendtrans-131.176.6-175.9-67.2-172.8-11.400112.1C296 K300C296-Q298 VanDerWaalsContact C-N 3.26Å; C296-Q298 PolarHBondContact O-N 2.05Å; Q298-K300 PolarHBondContact O-N 3.43Å
299P83.1Confident78.2Confident33 Ų3390 Ų9021%0.21452%0.516CS..PPolyproline II helixtrans-6912417629.5-35000110.4Y294 K308 I309Y294-P299 HydrophobicContact CD1-CB 4.11Å; Y294-P299 HydrophobicContact CD2-CB 3.9Å; Y294-P299 HydrophobicContact CD2-CG 3.84Å; Y294-P299 HydrophobicContact CG-CB 3.65Å; Y294-P299 HydrophobicContact CG-CG 3.98Å; P299-K308 HydrophobicContact CB-CB 3.74Å; P299-K308 HydrophobicContact CB-CD 3.98Å; P299-K308 HydrophobicContact CG-CD 3.95Å; P299-I309 CarbonylContact C-O 3.53Å; P299-I309 WeakPolarHBondContact CA-O 3.12Å
300K81.3Confident78.4Confident122 Ų12285.8 Ų85.853%0.5349%0.492SS..EExtended strand (participates in β ladder)trans-96.8139.4-177.2-65.4-172.2-175.3171.40111.5Q298 K308 I309 P311Q298-K300 PolarHBondContact O-N 3.43Å; K300-K308 CarbonylContact O-C 3.43Å; K300-K308 VanDerWaalsContact O-CA 3.31Å; K300-K308 WeakPolarHBondContact O-CA 3.06Å; K300-I309 PolarHBondContact N-O 2.98Å; K300-I309 PolarHBondContact O-N 3.42Å; K300-P311 HydrophobicContact CD-CG 3.9Å; K300-P311 HydrophobicContact CG-CG 4.21Å
301K84.6Confident78.5Confident126 Ų12686.7 Ų86.755%0.54850%0.497SS..EExtended strand (participates in β ladder)trans-84118.2175-179.660.8168.3172.90109.3K305 C306 K308K301-K305 PolarHBondContact NZ-O 3.16Å; K301-C306 VanDerWaalsContact NZ-C 3.33Å; K301-C306 PolarHBondContact NZ-O 2.85Å; K301-K308 HydrophobicContact CB-CG 4.48Å
302V81.4Confident77.9Confident59 Ų5990.4 Ų90.436%0.35851%0.508SS..PPolyproline II helixtrans-103.2142.7178.7174.80000110.9K305 I309V302-K305 HydrophobicContact CB-CG 4.41Å; V302-K305 HydrophobicContact CG1-CG 4.4Å; V302-K305 PolarHBondContact O-N 2.58Å; V302-I309 HydrophobicContact CB-CD1 4.24Å; V302-I309 HydrophobicContact CB-CG1 4.44Å; V302-I309 HydrophobicContact CG2-CD1 3.47Å; V302-I309 VanDerWaalsContact CG2-CD1 3.47Å; V302-I309 HydrophobicContact CG2-CG1 3.62Å
303A78.1Confident77Confident99 Ų9992.8 Ų92.882%0.81851%0.509SS*.THydrogen-bonded Turntrans-57.9137178.200000111.2K305A303-K305 PolarHBondContact O-N 2.66Å
304G71.9Confident75.6Confident65 Ų6593.8 Ų93.867%0.6751%0.514SS*.THydrogen-bonded Turntrans76-3.2179.900000116P272P272-G304 WeakPolarHBondContact CB-O 2.96Å
305K76Confident73.9Confident126 Ų12696.2 Ų96.255%0.54855%0.545SS..  trans-103.1142.4173.8-60.9-64.3-174.9177.90110.8K301 V302 A303K301-K305 PolarHBondContact NZ-O 3.16Å; V302-K305 HydrophobicContact CB-CG 4.41Å; V302-K305 HydrophobicContact CG1-CG 4.4Å; V302-K305 PolarHBondContact O-N 2.58Å; A303-K305 PolarHBondContact O-N 2.66Å
306C82.1Confident72.2Confident18 Ų1898.3 Ų98.312%0.12255%0.549CS..SBendtrans-71.9-46.7175.6-177.90000112.4P272 C273 V288 K301P272-C306 HydrophobicContact CB-CB 4.43Å; P272-C306 WeakPolarHBondContact O-CB 3.07Å; C273-C306 WeakPolarHBondContact CA-SG 2.99Å; C273-C306 HydrophobicContact CB-CB 3.96Å; C273-C306 WeakPolarHBondContact CB-SG 3.38Å; C273-C306 WeakPolarHBondContact SG-CA 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 3.22Å; C273-C306 CovalentContact SG-SG 2.04Å; C273-C306 PolarHBondContact SG-SG 2.05Å; V288-C306 HydrophobicContact CB-CB 4.43Å; V288-C306 HydrophobicContact CG1-CB 4.24Å; K301-C306 VanDerWaalsContact NZ-C 3.33Å; K301-C306 PolarHBondContact NZ-O 2.85Å
307C81.4Confident70.6Confident32 Ų32101.1 Ų101.122%0.21658%0.576CS.*SBendtrans-98.2159.6-175.5-57.80000111.8C290 Y294C290-C307 WeakPolarHBondContact CA-SG 3.07Å; C290-C307 HydrophobicContact CB-CB 3.88Å; C290-C307 WeakPolarHBondContact CB-SG 3.05Å; C290-C307 WeakPolarHBondContact SG-CA 3.4Å; C290-C307 WeakPolarHBondContact SG-CB 3.26Å; C290-C307 CovalentContact SG-SG 2.05Å; C290-C307 PolarHBondContact SG-SG 3.15Å; Y294-C307 WeakPolarHBondContact OH-CB 3.33Å
308K82.9Confident68.6Low102 Ų102102.4 Ų102.444%0.44357%0.573SS.*EExtended strand (participates in β ladder)trans-68.1154.5172.2-58.4174.2178.6-178.60109.2Y294 P299 K300 K301Y294-K308 HydrophobicContact CE1-CB 4.02Å; Y294-K308 WeakPolarHBondContact CE1-O 3.19Å; Y294-K308 HydrophobicContact CE2-CB 4.18Å; Y294-K308 HydrophobicContact CE2-CD 4.25Å; Y294-K308 PolarHBondContact OH-N 3.22Å; P299-K308 HydrophobicContact CB-CB 3.74Å; P299-K308 HydrophobicContact CB-CD 3.98Å; P299-K308 HydrophobicContact CG-CD 3.95Å; K300-K308 CarbonylContact O-C 3.43Å; K300-K308 VanDerWaalsContact O-CA 3.31Å; K300-K308 WeakPolarHBondContact O-CA 3.06Å; K301-K308 HydrophobicContact CB-CG 4.48Å
309I82.2Confident67.2Low78 Ų78104 Ų10440%0.458%0.58SS.*EExtended strand (participates in β ladder)trans-122.1154.4174.668.3169.8000109.5P299 K300 V302 P311P299-I309 CarbonylContact C-O 3.53Å; P299-I309 WeakPolarHBondContact CA-O 3.12Å; K300-I309 PolarHBondContact N-O 2.98Å; K300-I309 PolarHBondContact O-N 3.42Å; V302-I309 HydrophobicContact CB-CD1 4.24Å; V302-I309 HydrophobicContact CB-CG1 4.44Å; V302-I309 HydrophobicContact CG2-CD1 3.47Å; V302-I309 VanDerWaalsContact CG2-CD1 3.47Å; V302-I309 HydrophobicContact CG2-CG1 3.62Å; I309-P311 WeakPolarHBondContact O-CD 3.43Å
310C78.8Confident65Low41 Ų41108 Ų10828%0.27761%0.608SS.*  trans-89.3113.5170.4-67.50000107.8C296 E312C296-C310 HydrophobicContact CB-CB 3.6Å; C296-C310 WeakPolarHBondContact CB-SG 3.39Å; C296-C310 PolarHBondContact N-SG 3.31Å; C296-C310 VanDerWaalsContact N-SG 3.4Å; C296-C310 WeakPolarHBondContact SG-CA 3.09Å; C296-C310 WeakPolarHBondContact SG-CB 3.35Å; C296-C310 CovalentContact SG-SG 2.03Å; C296-C310 PolarHBondContact SG-SG 2.86Å; C310-E312 PolarHBondContact O-N 2.9Å
311P78.9Confident63.6Low60 Ų60110.7 Ų110.739%0.3962%0.623SS.*  trans-61.4134.217326.5-32.7000109K300 I309 E313K300-P311 HydrophobicContact CD-CG 3.9Å; K300-P311 HydrophobicContact CG-CG 4.21Å; I309-P311 WeakPolarHBondContact O-CD 3.43Å; P311-E313 PolarHBondContact O-N 2.64Å
312E64.6Low61.4Low150 Ų150111.5 Ų111.570%0.70164%0.638SS**  trans-65.8127.4165.1-70.4175.9-18000106.7C310 E314C310-E312 PolarHBondContact O-N 2.9Å; E312-E314 PolarHBondContact O-N 3.01Å
313E56.8Low59.9Low189 Ų189117.6 Ų117.688%0.88366%0.66SS**  trans-56.6114.5179.2-66.3-177.516600108.1P311 A315P311-E313 PolarHBondContact O-N 2.64Å; E313-A315 VanDerWaalsContact C-N 3.32Å; E313-A315 PolarHBondContact O-N 3.4Å
314E43.7Very low57.8Low190 Ų190118.1 Ų118.189%0.88866%0.658SS**  trans-58.4103165.7-72.4170.9169.500105.5E312 D316E312-E314 PolarHBondContact O-N 3.01Å; E314-D316 PolarHBondContact O-N 3.12Å
315A35.3Very low56.5Low102 Ų102120.9 Ų120.984%0.84366%0.662SS**  trans-67.383.4177.200000108.4E313E313-A315 VanDerWaalsContact C-N 3.32Å; E313-A315 PolarHBondContact O-N 3.4Å
316D36.6Very low54.8Low158 Ų158124.4 Ų124.485%0.84568%0.677SS**  trans-69133.4157.7-133.2-19.1000107.5E314 D318E314-D316 PolarHBondContact O-N 3.12Å; D316-D318 PolarHBondContact O-N 3.37Å
317A44.8Very low52.4Low98 Ų98129.5 Ų129.581%0.8171%0.712SS**  trans-70.7108.3-179.900000109.6
318D36.9Very low50.7Low155 Ų155133.7 Ų133.783%0.82974%0.739SS**  trans-158.9135.2139.8-139-9.7000112.7D316D316-D318 PolarHBondContact O-N 3.37Å
319H49.1Very low49.1Very low181 Ų181138.4 Ų138.484%0.83876%0.759SS**  trans-72.2127176.6-85-88.7000110.1
320S38.2Very low47.4Very low117 Ų117140.7 Ų140.782%0.81878%0.776SS**  trans-161.793.2155.5-73.70000110V322S320-V322 PolarHBondContact O-N 3.06Å
321E50.3Low46.4Very low179 Ų179142.3 Ų142.384%0.83679%0.786SS**  trans-68.3121.9159.9-69.3-169.7157.100109.3
322V38.4Very low45.7Very low143 Ų143139.9 Ų139.987%0.86777%0.772SS**  trans-146.7127.7141.8-176.50000110S320S320-V322 PolarHBondContact O-N 3.06Å
323F51.4Low46.1Very low186 Ų186137.7 Ų137.782%0.81676%0.762SS**  trans-49.3134.9179.2-86.3-111.6000116.5
324S33.8Very low47.2Very low111 Ų111128.7 Ų128.778%0.77672%0.72SS**  trans-155.6100.2137.5-95.30000113.4
325T43.3Very low48.9Very low122 Ų122120.6 Ų120.675%0.74868%0.684SS**SBendtrans52.6114.9138.459.70000120
326K40.8Very low51.2Low200 Ų200116.6 Ų116.687%0.8765%0.65SS**  trans72.184.3161.5-66.1178.8178.5175.70115.3P328K326-P328 WeakPolarHBondContact O-CD 3.41Å
327C32.7Very low53.3Low126 Ų126111.4 Ų111.485%0.85162%0.619SS**  trans-61.9124149.6-61.50000108.3
328P44.1Very low55.1Low120 Ų120108.1 Ų108.178%0.77959%0.588SS**  trans-60.3143.4160.2-11.627.3000107.9K326K326-P328 WeakPolarHBondContact O-CD 3.41Å
329K50.9Low57.1Low200 Ų200102.6 Ų102.687%0.8756%0.559SS**  trans-34.5136.4-176.9-70.7170.6176.5175.40113
330V46.5Very low58.1Low126 Ų12698 Ų9876%0.76454%0.543SS*.  trans-31.5119.4168.7-178.10000109.6G332V330-G332 PolarHBondContact O-N 2.88Å; V330-G332 VanDerWaalsContact O-N 3.14Å
331P56.9Low59.1Low75 Ų7595.3 Ų95.349%0.48752%0.524SS..PPolyproline II helixtrans-61.9121.2174.724.2-30000107.2H403P331-H403 HydrophobicContact CB-CB 4.48Å; P331-H403 HydrophobicContact CG-CB 4.43Å
332G64.6Low59.2Low10 Ų1093.3 Ų93.310%0.10353%0.527CS..PPolyproline II helixtrans-54.2143-175.400000111.1V330 E404V330-G332 PolarHBondContact O-N 2.88Å; V330-G332 VanDerWaalsContact O-N 3.14Å; G332-E404 WeakPolarHBondContact O-CB 3.45Å; G332-E404 PolarHBondContact O-N 2.86Å
333Q72.4Confident59.8Low103 Ų10390 Ų9048%0.48151%0.51SS..EExtended strand (participates in β ladder)trans-75.9143.4175.7-162170.310.600110.2E359 T402Q333-E359 HydrophobicContact CB-CB 4.29Å; Q333-E359 VanDerWaalsContact CB-OE2 3.27Å; Q333-E359 WeakPolarHBondContact CB-OE2 3.38Å; Q333-E359 PolarHBondContact N-OE2 2.03Å; Q333-E359 VanDerWaalsContact O-CB 3.22Å; Q333-E359 WeakPolarHBondContact O-CB 3.41Å; Q333-E359 PolarHBondContact O-N 2.95Å; Q333-T402 WeakPolarHBondContact CG-O 3.48Å
334V79.6Confident59.7Low1 Ų187.6 Ų87.61%0.00651%0.513CS..EExtended strand (participates in β ladder)trans-118.4121.4175.1-178.40000108.8L356 E357 G401 T402 E404 W407V334-L356 HydrophobicContact CG1-CD1 3.31Å; V334-L356 HydrophobicContact CG1-CG 4.18Å; V334-E357 CarbonylContact C-O 3.56Å; V334-E357 WeakPolarHBondContact CA-O 3.07Å; V334-G401 CarbonylContact O-C 3.5Å; V334-G401 VanDerWaalsContact O-CA 3.27Å; V334-G401 WeakPolarHBondContact O-CA 3.29Å; V334-T402 PolarHBondContact N-O 2.03Å; V334-T402 PolarHBondContact O-N 3.48Å; V334-T402 VanDerWaalsContact O-O 3.12Å; V334-E404 HydrophobicContact CG2-CB 3.93Å; V334-E404 HydrophobicContact CG2-CG 4.38Å; V334-W407 HydrophobicContact CB-CB 4.12Å; V334-W407 HydrophobicContact CB-CD2 4.38Å; V334-W407 HydrophobicContact CB-CG 4.06Å; V334-W407 HydrophobicContact CG1-CB 4.31Å; V334-W407 HydrophobicContact CG1-CD2 3.68Å; V334-W407 HydrophobicContact CG1-CE3 4.14Å; V334-W407 HydrophobicContact CG1-CG 3.71Å; V334-W407 HydrophobicContact CG2-CB 3.94Å; V334-W407 HydrophobicContact CG2-CG 4.04Å
335S80.1Confident60.3Low19 Ų1985.4 Ų85.413%0.13350%0.501CS..EExtended strand (participates in β ladder)trans-114.8135.3-177.6-65.80000110.8Y337 E357S335-Y337 WeakPolarHBondContact CB-OH 3.1Å; S335-E357 PolarHBondContact N-O 3.37Å; S335-E357 PolarHBondContact O-N 2.86Å
336V83.7Confident60.7Low19 Ų1985.3 Ų85.312%0.11550%0.503CS..EExtended strand (participates in β ladder)trans-113.2125178.3-173.80000109.9V355 L356 L399 T400 W407V336-V355 CarbonylContact C-O 3.54Å; V336-V355 VanDerWaalsContact CA-O 3.31Å; V336-V355 WeakPolarHBondContact CA-O 3.38Å; V336-L356 HydrophobicContact CG2-CD1 3.81Å; V336-L399 WeakPolarHBondContact O-CB 3.32Å; V336-L399 PolarHBondContact O-N 3.17Å; V336-T400 HydrophobicContact CB-CG2 4.01Å; V336-T400 HydrophobicContact CG2-CG2 4.1Å; V336-T400 PolarHBondContact N-O 3.24Å; V336-T400 PolarHBondContact O-N 2.98Å; V336-W407 HydrophobicContact CG2-CH2 3.61Å; V336-W407 HydrophobicContact CG2-CZ3 3.62Å
337Y81.4Confident61.2Low49 Ų4979 Ų7919%0.19248%0.484CS..EExtended strand (participates in β ladder)trans-115.1153.6178.5-49-100.4000111S335 F354 V355 E357 R397 L398S335-Y337 WeakPolarHBondContact CB-OH 3.1Å; Y337-F354 CarbonylContact O-C 3.55Å; Y337-F354 WeakPolarHBondContact O-CA 3.35Å; Y337-V355 HydrophobicContact CD2-CB 4.33Å; Y337-V355 PolarHBondContact N-O 2.8Å; Y337-V355 PolarHBondContact O-N 3.22Å; Y337-E357 HydrophobicContact CE2-CB 3.78Å; Y337-E357 PolarHBondContact OH-OE2 2.01Å; Y337-R397 CarbonylContact C-O 3.58Å; Y337-R397 VanDerWaalsContact CA-O 3.27Å; Y337-R397 WeakPolarHBondContact CA-O 3.35Å; Y337-L398 HydrophobicContact CD1-CB 4.06Å; Y337-L398 HydrophobicContact CD1-CD1 3.98Å; Y337-L398 HydrophobicContact CE1-CB 4.1Å; Y337-L398 HydrophobicContact CE1-CD1 3.66Å; Y337-L398 HydrophobicContact CE1-CG 4.47Å; Y337-L398 HydrophobicContact CE2-CD1 4.44Å; Y337-L398 HydrophobicContact CG-CD1 4.49Å
338T81.8Confident62.1Low29 Ų2978.3 Ų78.318%0.17848%0.478CS..EExtended strand (participates in β ladder)trans-122.1145.8171.1-173.30000110.9V340 R353 F396 R397 L399T338-V340 PolarHBondContact O-N 2.94Å; T338-R353 WeakPolarHBondContact CA-O 3.16Å; T338-F396 VanDerWaalsContact C-CD1 3.42Å; T338-F396 CarbonylContact O-C 3.5Å; T338-F396 VanDerWaalsContact O-CA 3.28Å; T338-F396 WeakPolarHBondContact O-CA 2.99Å; T338-R397 HydrophobicContact CG2-CB 4.49Å; T338-R397 PolarHBondContact N-O 3.32Å; T338-R397 PolarHBondContact O-N 3.26Å; T338-L399 HydrophobicContact CG2-CD1 3.92Å; T338-L399 HydrophobicContact CG2-CD2 3.58Å; T338-L399 HydrophobicContact CG2-CG 3.61Å
339L78.7Confident62.4Low39 Ų3977.7 Ų77.720%0.20447%0.468CS..EExtended strand (participates in β ladder)trans-66132.9172.3-171.777.7000110.2S341 R353 N395 F396L339-S341 PolarHBondContact O-N 2.84Å; L339-R353 HydrophobicContact CB-CB 4.05Å; L339-R353 PolarHBondContact N-O 3.11Å; L339-N395 HydrophobicContact CD1-CB 3.84Å; L339-F396 HydrophobicContact CB-CD1 4.12Å; L339-F396 HydrophobicContact CB-CE1 3.7Å; L339-F396 HydrophobicContact CB-CZ 4.17Å; L339-F396 HydrophobicContact CD1-CD1 4.39Å; L339-F396 HydrophobicContact CD1-CD2 4.14Å; L339-F396 HydrophobicContact CD1-CE1 3.93Å; L339-F396 HydrophobicContact CD1-CE2 3.67Å; L339-F396 HydrophobicContact CD1-CG 4.48Å; L339-F396 HydrophobicContact CD1-CZ 3.55Å; L339-F396 HydrophobicContact CG-CE1 4.45Å; L339-F396 HydrophobicContact CG-CZ 4.46Å; L339-F396 VanDerWaalsContact N-CD1 3.34Å
340V70.3Confident63.1Low84 Ų8469.7 Ų69.751%0.50944%0.436SS..  trans-80.2105.7170.2-177.40000107.6T338 P342 N395 R397T338-V340 PolarHBondContact O-N 2.94Å; V340-P342 WeakPolarHBondContact O-CD 3.45Å; V340-N395 PolarHBondContact N-O 2.98Å; V340-R397 HydrophobicContact CG2-CB 3.79Å
341S59.3Low64.2Low61 Ų6167.9 Ų67.943%0.42742%0.422SS..  trans-68.2129.3177.9-64.40000110.8L339 S343L339-S341 PolarHBondContact O-N 2.84Å; S341-S343 PolarHBondContact O-N 2.04Å
342P53.4Low65.1Low137 Ų13766.7 Ų66.789%0.8941%0.41SS*.SBendtrans-70.9-14.1178.6-18.430.3000114.7V340V340-P342 WeakPolarHBondContact O-CD 3.45Å
343S49.7Very low65.9Low72 Ų7268.5 Ų68.550%0.50341%0.413SS..  trans-108.1127.4-175.1174.40000111.3S341 A345S341-S343 PolarHBondContact O-N 2.04Å; S343-A345 PolarHBondContact O-N 2.81Å; S343-A345 PolarHBondContact OG-N 3.32Å; S343-A345 PolarHBondContact OG-O 2.88Å
344P50.8Low66.4Low137 Ų13766.2 Ų66.289%0.8940%0.402SS*.SBendtrans-75.3-3.3174.328.6-31.8000113.9
345A45.7Very low66.6Low64 Ų6466.2 Ų66.253%0.52940%0.402SS..SBendtrans-105.2117.5176.900000110.9S343 S347S343-A345 PolarHBondContact O-N 2.81Å; S343-A345 PolarHBondContact OG-N 3.32Å; S343-A345 PolarHBondContact OG-O 2.88Å; A345-S347 PolarHBondContact O-N 2.73Å
346P50.4Low66.8Low121 Ų12165.5 Ų65.579%0.78640%0.396SS*.  trans-73.1108.1175.427.7-30.3000109.4
347S52.5Low66.8Low66 Ų6666.8 Ų66.846%0.46240%0.401SS..  trans-76.4148.1167.371.30000109.1A345 D349 T350A345-S347 PolarHBondContact O-N 2.73Å; S347-D349 PolarHBondContact O-N 2.85Å; S347-T350 PolarHBondContact N-OG1 3.23Å; S347-T350 WeakPolarHBondContact O-CB 3.5Å; S347-T350 PolarHBondContact O-N 3.35Å; S347-T350 PolarHBondContact O-OG1 2.93Å; S347-T350 PolarHBondContact OG-OG1 2.96Å
348P50.3Low66.8Low112 Ų11266 Ų6673%0.72740%0.399SS*.THydrogen-bonded Turntrans-64.1-5.9179.926.2-34.7000114.1
349D51.3Low66.7Low107 Ų10770.1 Ų70.157%0.57242%0.417SS*.THydrogen-bonded Turntrans-109.812.1176.2-77.9-37.5000113.5S347 L351 K370S347-D349 PolarHBondContact O-N 2.85Å; D349-L351 PolarHBondContact O-N 3.02Å; D349-L351 VanDerWaalsContact O-N 3.12Å; D349-K370 WeakPolarHBondContact OD1-CE 3.32Å; D349-K370 IonicContact OD1-NZ 2.58Å; D349-K370 PolarHBondContact OD1-NZ 2.83Å
350T64.9Low66.4Low33 Ų3372.3 Ų72.320%0.20244%0.44CS..PPolyproline II helixtrans-65.2116.3-179.9-52.30000110.4S347 H352S347-T350 PolarHBondContact N-OG1 3.23Å; S347-T350 WeakPolarHBondContact O-CB 3.5Å; S347-T350 PolarHBondContact O-N 3.35Å; S347-T350 PolarHBondContact O-OG1 2.93Å; S347-T350 PolarHBondContact OG-OG1 2.96Å; T350-H352 PolarHBondContact O-CD2 3.14Å
351L70.1Confident66.8Low87 Ų8770.6 Ų70.646%0.45543%0.432SS..EExtended strand (participates in β ladder)trans-80.8121.4172.4-63.9176000109.3D349 I368 W369 K370 V379D349-L351 PolarHBondContact O-N 3.02Å; D349-L351 VanDerWaalsContact O-N 3.12Å; L351-I368 HydrophobicContact CB-CG2 4.11Å; L351-I368 HydrophobicContact CD1-CG2 4.28Å; L351-I368 HydrophobicContact CD2-CG2 4.19Å; L351-I368 HydrophobicContact CG-CG2 4.43Å; L351-W369 CarbonylContact C-O 3.49Å; L351-W369 WeakPolarHBondContact CA-O 3Å; L351-K370 HydrophobicContact CD2-CB 4.08Å; L351-K370 HydrophobicContact CD2-CG 4.33Å; L351-V379 HydrophobicContact CD2-CG2 4.26Å
352H76.4Confident67.8Low51 Ų5172.5 Ų72.524%0.23644%0.437CS..EExtended strand (participates in β ladder)trans-89129.2173.6-65.2-94.9000109.3T350 F354 I368 W369 F376T350-H352 PolarHBondContact O-CD2 3.14Å; H352-F354 HydrophobicContact CB-CE2 3.98Å; H352-I368 CarbonylContact O-C 3.6Å; H352-I368 WeakPolarHBondContact O-CA 3.15Å; H352-W369 HydrophobicContact CB-CB 4.4Å; H352-W369 PolarHBondContact N-O 3.28Å; H352-W369 PolarHBondContact O-N 3.23Å; H352-F376 HydrophobicContact CB-CE1 4.13Å; H352-F376 AromaticContact CD2-CE1 3.52Å; H352-F376 AromaticContact CG-CE1 3.67Å; H352-F376 AromaticContact NE2-CE1 3.87Å
353R80.3Confident69Low47 Ų4769.5 Ų69.518%0.17741%0.411CS..EExtended strand (participates in β ladder)trans-117.4118.9-179.2-67.417662-151.55.9109.6T338 L339 Y367 I368 E392 F396T338-R353 WeakPolarHBondContact CA-O 3.16Å; L339-R353 HydrophobicContact CB-CB 4.05Å; L339-R353 PolarHBondContact N-O 3.11Å; R353-Y367 WeakPolarHBondContact CA-O 3.42Å; R353-I368 HydrophobicContact CG-CG1 4.26Å; R353-I368 HydrophobicContact CG-CG2 4.43Å; R353-E392 IonicContact CZ-OE1 2.86Å; R353-E392 VanDerWaalsContact CZ-OE1 3.3Å; R353-E392 IonicContact CZ-OE2 3.2Å; R353-E392 IonicContact NH1-OE1 3.04Å; R353-E392 PolarHBondContact NH1-OE1 3.37Å; R353-E392 IonicContact NH1-OE2 2.85Å; R353-E392 VanDerWaalsContact NH2-CD 3.3Å; R353-E392 IonicContact NH2-OE1 3.3Å; R353-E392 PolarHBondContact NH2-OE1 3.41Å; R353-E392 IonicContact NH2-OE2 3.84Å; R353-E392 PolarHBondContact NH2-OE2 2.04Å; R353-F396 HydrophobicContact CB-CE1 4.12Å; R353-F396 HydrophobicContact CB-CZ 4.4Å
354F83.7Confident70.6Confident55 Ų5566 Ų6624%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-111.1135.8172.6-59.9-82.5000109.2Y337 H352 I366 Y367 W369 L399Y337-F354 CarbonylContact O-C 3.55Å; Y337-F354 WeakPolarHBondContact O-CA 3.35Å; H352-F354 HydrophobicContact CB-CE2 3.98Å; F354-I366 CarbonylContact O-C 3.57Å; F354-I366 WeakPolarHBondContact O-CA 3.45Å; F354-Y367 PolarHBondContact N-O 3.09Å; F354-Y367 PolarHBondContact O-N 3.02Å; F354-W369 AromaticContact CD2-CD1 3.68Å; F354-L399 HydrophobicContact CD1-CD1 3.79Å; F354-L399 HydrophobicContact CE1-CD1 3.7Å
355V84.1Confident72.2Confident1 Ų161 Ų611%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-113.6128.9179.5-175.70000108.1V336 Y337 V364 E365 I366 F389 F396V336-V355 CarbonylContact C-O 3.54Å; V336-V355 VanDerWaalsContact CA-O 3.31Å; V336-V355 WeakPolarHBondContact CA-O 3.38Å; Y337-V355 HydrophobicContact CD2-CB 4.33Å; Y337-V355 PolarHBondContact N-O 2.8Å; Y337-V355 PolarHBondContact O-N 3.22Å; V355-V364 HydrophobicContact CG1-CB 3.87Å; V355-V364 HydrophobicContact CG1-CG1 4.32Å; V355-V364 HydrophobicContact CG1-CG2 4.29Å; V355-E365 CarbonylContact C-O 3.54Å; V355-E365 WeakPolarHBondContact CA-O 3.42Å; V355-I366 HydrophobicContact CG1-CG1 4.37Å; V355-I366 HydrophobicContact CG2-CG1 4.12Å; V355-I366 HydrophobicContact CG2-CG2 4.24Å; V355-F389 HydrophobicContact CB-CE2 4.43Å; V355-F389 HydrophobicContact CB-CZ 4.07Å; V355-F389 HydrophobicContact CG1-CE1 4.02Å; V355-F389 HydrophobicContact CG1-CE2 4.07Å; V355-F389 HydrophobicContact CG1-CZ 3.76Å; V355-F389 HydrophobicContact CG2-CE2 3.72Å; V355-F389 HydrophobicContact CG2-CZ 3.73Å; V355-F396 HydrophobicContact CG2-CD1 3.64Å; V355-F396 HydrophobicContact CG2-CE1 3.34Å; V355-F396 HydrophobicContact CG2-CE2 4.49Å; V355-F396 HydrophobicContact CG2-CG 4.37Å; V355-F396 HydrophobicContact CG2-CZ 3.81Å
356L84.3Confident73.8Confident4 Ų458.2 Ų58.22%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-107.3117.4175.5-176.166.4000108.4V334 V336 H358 V364 E365 Y367 W407V334-L356 HydrophobicContact CG1-CD1 3.31Å; V334-L356 HydrophobicContact CG1-CG 4.18Å; V336-L356 HydrophobicContact CG2-CD1 3.81Å; L356-H358 WeakPolarHBondContact CD2-NE2 3.46Å; L356-V364 WeakPolarHBondContact O-CA 3.08Å; L356-E365 HydrophobicContact CB-CB 4.27Å; L356-E365 PolarHBondContact N-O 3.13Å; L356-E365 PolarHBondContact O-N 3.43Å; L356-Y367 HydrophobicContact CB-CD2 4.46Å; L356-Y367 HydrophobicContact CB-CE2 4.05Å; L356-Y367 HydrophobicContact CD2-CE2 4.15Å; L356-W407 HydrophobicContact CD1-CD2 4.26Å; L356-W407 HydrophobicContact CD1-CH2 3.68Å; L356-W407 HydrophobicContact CD1-CZ2 3.2Å; L356-W407 HydrophobicContact CD1-CZ3 4.36Å; L356-W407 HydrophobicContact CD2-CZ2 3.63Å; L356-W407 HydrophobicContact CG-CZ2 4.04Å
357E83.7Confident75.2Confident47 Ų4754.6 Ų54.622%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-111.6117.9177-173.3172.5-170.200109.8V334 S335 Y337 V364 K386V334-E357 CarbonylContact C-O 3.56Å; V334-E357 WeakPolarHBondContact CA-O 3.07Å; S335-E357 PolarHBondContact N-O 3.37Å; S335-E357 PolarHBondContact O-N 2.86Å; Y337-E357 HydrophobicContact CE2-CB 3.78Å; Y337-E357 PolarHBondContact OH-OE2 2.01Å; E357-V364 HydrophobicContact CB-CG1 3.99Å; E357-V364 HydrophobicContact CG-CG1 3.87Å; E357-K386 WeakPolarHBondContact OE1-CD 3.27Å; E357-K386 WeakPolarHBondContact OE1-CE 3.46Å; E357-K386 IonicContact OE1-NZ 2.83Å; E357-K386 PolarHBondContact OE1-NZ 2.89Å
358H82.3Confident76.2Confident31 Ų3152.1 Ų52.114%0.14428%0.281CS..EExtended strand (participates in β ladder)trans-92.6126.4167.7-71.8-118.7000108.3L356 A360 S361 K386 E404 W407L356-H358 WeakPolarHBondContact CD2-NE2 3.46Å; H358-A360 VanDerWaalsContact C-N 3.27Å; H358-A360 PolarHBondContact O-N 3Å; H358-S361 PolarHBondContact O-N 2.78Å; H358-S361 VanDerWaalsContact O-N 3.13Å; H358-K386 WeakPolarHBondContact O-CE 3.3Å; H358-K386 PolarHBondContact O-NZ 2.81Å; H358-E404 IonicContact CE1-OE1 3.35Å; H358-E404 IonicContact ND1-OE1 3.23Å; H358-E404 PolarHBondContact ND1-OE1 3.44Å; H358-W407 AromaticContact CE1-CD1 3.74Å; H358-W407 AromaticContact NE2-CD1 3.92Å; H358-W407 AromaticContact NE2-NE1 3.77Å
359E78.3Confident77.2Confident117 Ų11750.3 Ų50.355%0.54726%0.259SS..THydrogen-bonded Turntrans-56.6-42.5179.7-173.8178.9-168.500111.7Q333 S361 K386Q333-E359 HydrophobicContact CB-CB 4.29Å; Q333-E359 VanDerWaalsContact CB-OE2 3.27Å; Q333-E359 WeakPolarHBondContact CB-OE2 3.38Å; Q333-E359 PolarHBondContact N-OE2 2.03Å; Q333-E359 VanDerWaalsContact O-CB 3.22Å; Q333-E359 WeakPolarHBondContact O-CB 3.41Å; Q333-E359 PolarHBondContact O-N 2.95Å; E359-S361 VanDerWaalsContact C-N 3.28Å; E359-S361 PolarHBondContact O-N 3.18Å; E359-K386 PolarHBondContact O-NZ 2.97Å
360A72.3Confident78.2Confident85 Ų8548.2 Ų48.270%0.70225%0.245SC*.THydrogen-bonded Turntrans-74.7-9.6-179.200000114.9H358H358-A360 VanDerWaalsContact C-N 3.27Å; H358-A360 PolarHBondContact O-N 3Å
361S78.4Confident78.1Confident47 Ų4749.8 Ų49.833%0.32925%0.252SS..  trans-98.7149.4-178.8-1790000111.7H358 E359 Q363 K386H358-S361 PolarHBondContact O-N 2.78Å; H358-S361 VanDerWaalsContact O-N 3.13Å; E359-S361 VanDerWaalsContact C-N 3.28Å; E359-S361 PolarHBondContact O-N 3.18Å; S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact OG-N 3.3Å; S361-Q363 VanDerWaalsContact OG-N 3.11Å; S361-Q363 PolarHBondContact OG-O 3.19Å; S361-Q363 VanDerWaalsContact OG-O 3.08Å; S361-K386 WeakPolarHBondContact O-CD 3.49Å; S361-K386 WeakPolarHBondContact O-CE 3.36Å; S361-K386 PolarHBondContact O-NZ 3Å
362D81Confident77.7Confident101 Ų10148.2 Ų48.254%0.5425%0.245SC..SBendtrans-85.7-3.7170.279.9-20000113R385 K386D362-R385 WeakPolarHBondContact O-CA 3.47Å; D362-K386 PolarHBondContact O-N 3.5Å
363Q78.9Confident76.9Confident74 Ų7453 Ų5335%0.34627%0.266SS..EExtended strand (participates in β ladder)trans-120.5147.8-176.7-77.2165.339.500112S361 V384 R385S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact OG-N 3.3Å; S361-Q363 VanDerWaalsContact OG-N 3.11Å; S361-Q363 PolarHBondContact OG-O 3.19Å; S361-Q363 VanDerWaalsContact OG-O 3.08Å; Q363-V384 CarbonylContact C-O 3.51Å; Q363-V384 VanDerWaalsContact CA-O 3.27Å; Q363-V384 WeakPolarHBondContact CA-O 3.49Å; Q363-R385 HydrophobicContact CG-CG 4.36Å
364V83.8Confident75.6Confident0 Ų053.8 Ų53.80%029%0.288CS..EExtended strand (participates in β ladder)trans-108.3143.7169.5-67.90000110V355 L356 E357 R383 V384 K386 F389V355-V364 HydrophobicContact CG1-CB 3.87Å; V355-V364 HydrophobicContact CG1-CG1 4.32Å; V355-V364 HydrophobicContact CG1-CG2 4.29Å; L356-V364 WeakPolarHBondContact O-CA 3.08Å; E357-V364 HydrophobicContact CB-CG1 3.99Å; E357-V364 HydrophobicContact CG-CG1 3.87Å; V364-R383 WeakPolarHBondContact O-CA 3.43Å; V364-V384 HydrophobicContact CG2-CB 4.16Å; V364-V384 WeakPolarHBondContact CG2-O 3.13Å; V364-V384 PolarHBondContact N-O 3Å; V364-V384 PolarHBondContact O-N 3.3Å; V364-K386 HydrophobicContact CG1-CG 3.84Å; V364-F389 HydrophobicContact CG1-CD1 4.36Å; V364-F389 HydrophobicContact CG2-CB 3.66Å; V364-F389 HydrophobicContact CG2-CD1 4.2Å; V364-F389 HydrophobicContact CG2-CD2 4.25Å; V364-F389 HydrophobicContact CG2-CG 3.77Å
365E83.1Confident74.1Confident32 Ų3256.1 Ų56.115%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-101.6122.6174-54.3-164.7138.300110.1V355 L356 Y367 I381 K382 R383V355-E365 CarbonylContact C-O 3.54Å; V355-E365 WeakPolarHBondContact CA-O 3.42Å; L356-E365 HydrophobicContact CB-CB 4.27Å; L356-E365 PolarHBondContact N-O 3.13Å; L356-E365 PolarHBondContact O-N 3.43Å; E365-Y367 HydrophobicContact CB-CD2 4.32Å; E365-Y367 HydrophobicContact CB-CE2 3.66Å; E365-Y367 PolarHBondContact OE2-OH 2.76Å; E365-I381 HydrophobicContact CB-CG2 4.36Å; E365-K382 CarbonylContact C-O 3.56Å; E365-K382 WeakPolarHBondContact CA-O 3.44Å; E365-R383 HydrophobicContact CG-CG 4.24Å; E365-R383 IonicContact OE1-CZ 3.82Å; E365-R383 VanDerWaalsContact OE1-CZ 3.27Å; E365-R383 IonicContact OE1-NE 3.27Å; E365-R383 PolarHBondContact OE1-NE 2.72Å; E365-R383 IonicContact OE1-NH2 3.03Å; E365-R383 PolarHBondContact OE1-NH2 2.82Å
366I79.5Confident73.1Confident5 Ų560.7 Ų60.73%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-105.1110179.5-49.8-179000108.3F354 V355 I368 I381 K382 V384 F389F354-I366 CarbonylContact O-C 3.57Å; F354-I366 WeakPolarHBondContact O-CA 3.45Å; V355-I366 HydrophobicContact CG1-CG1 4.37Å; V355-I366 HydrophobicContact CG2-CG1 4.12Å; V355-I366 HydrophobicContact CG2-CG2 4.24Å; I366-I368 HydrophobicContact CG2-CG1 4.43Å; I366-I381 CarbonylContact O-C 3.48Å; I366-I381 WeakPolarHBondContact O-CA 3.33Å; I366-K382 HydrophobicContact CB-CB 4.3Å; I366-K382 PolarHBondContact N-O 3.05Å; I366-K382 PolarHBondContact O-N 3.49Å; I366-V384 HydrophobicContact CD1-CB 4.44Å; I366-V384 HydrophobicContact CD1-CG2 3.87Å; I366-F389 HydrophobicContact CD1-CD2 4.19Å; I366-F389 HydrophobicContact CD1-CE2 4.47Å
367Y80Confident71.8Confident44 Ų4465.2 Ų65.217%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-90.9120.9175.9-66.6-105.2000110R353 F354 L356 E365 W369 L378 I381R353-Y367 WeakPolarHBondContact CA-O 3.42Å; F354-Y367 PolarHBondContact N-O 3.09Å; F354-Y367 PolarHBondContact O-N 3.02Å; L356-Y367 HydrophobicContact CB-CD2 4.46Å; L356-Y367 HydrophobicContact CB-CE2 4.05Å; L356-Y367 HydrophobicContact CD2-CE2 4.15Å; E365-Y367 HydrophobicContact CB-CD2 4.32Å; E365-Y367 HydrophobicContact CB-CE2 3.66Å; E365-Y367 PolarHBondContact OE2-OH 2.76Å; Y367-W369 HydrophobicContact CD1-CZ2 4.48Å; Y367-L378 HydrophobicContact CD1-CD1 3.98Å; Y367-I381 HydrophobicContact CD1-CD1 3.96Å; Y367-I381 HydrophobicContact CD1-CG1 3.73Å; Y367-I381 HydrophobicContact CE1-CD1 3.48Å; Y367-I381 VanDerWaalsContact CE1-CD1 3.48Å; Y367-I381 HydrophobicContact CE1-CG1 3.76Å; Y367-I381 HydrophobicContact CE1-CG2 4.32Å; Y367-I381 HydrophobicContact CE2-CG2 4.37Å; Y367-I381 HydrophobicContact CG-CG1 4.43Å
368I72.9Confident71Confident15 Ų1565.5 Ų65.58%0.07735%0.346CS..EExtended strand (participates in β ladder)trans-107117.3178.9-49.9-176.5000108.1L351 H352 R353 I366 V379 Q380 K382L351-I368 HydrophobicContact CB-CG2 4.11Å; L351-I368 HydrophobicContact CD1-CG2 4.28Å; L351-I368 HydrophobicContact CD2-CG2 4.19Å; L351-I368 HydrophobicContact CG-CG2 4.43Å; H352-I368 CarbonylContact O-C 3.6Å; H352-I368 WeakPolarHBondContact O-CA 3.15Å; R353-I368 HydrophobicContact CG-CG1 4.26Å; R353-I368 HydrophobicContact CG-CG2 4.43Å; I366-I368 HydrophobicContact CG2-CG1 4.43Å; I368-V379 HydrophobicContact CG2-CB 4.38Å; I368-V379 WeakPolarHBondContact O-CA 3.34Å; I368-V379 WeakPolarHBondContact O-CB 3.16Å; I368-V379 PolarHBondContact O-N 3.42Å; I368-Q380 HydrophobicContact CD1-CB 4.48Å; I368-Q380 PolarHBondContact N-O 3.35Å; I368-Q380 PolarHBondContact O-N 3.17Å; I368-K382 HydrophobicContact CD1-CD 4.18Å
369W72.8Confident70.4Confident73 Ų7368.1 Ų68.128%0.27736%0.364SS..EExtended strand (participates in β ladder)trans-117.5147.5-179.4-60.177.6000110.7L351 H352 F354 Y367 F376 H377 L378L351-W369 CarbonylContact C-O 3.49Å; L351-W369 WeakPolarHBondContact CA-O 3Å; H352-W369 HydrophobicContact CB-CB 4.4Å; H352-W369 PolarHBondContact N-O 3.28Å; H352-W369 PolarHBondContact O-N 3.23Å; F354-W369 AromaticContact CD2-CD1 3.68Å; Y367-W369 HydrophobicContact CD1-CZ2 4.48Å; W369-F376 HydrophobicContact CB-CD1 3.93Å; W369-F376 HydrophobicContact CD2-CB 4.48Å; W369-F376 HydrophobicContact CE3-CB 3.78Å; W369-F376 HydrophobicContact CZ3-CB 4.43Å; W369-H377 CarbonylContact C-O 3.46Å; W369-H377 VanDerWaalsContact CA-O 3.25Å; W369-H377 WeakPolarHBondContact CA-O 3.01Å; W369-H377 VanDerWaalsContact CE3-C 3.48Å; W369-L378 HydrophobicContact CD2-CB 4.08Å; W369-L378 HydrophobicContact CD2-CD1 3.95Å; W369-L378 VanDerWaalsContact CE3-CA 3.48Å; W369-L378 HydrophobicContact CE3-CB 3.75Å; W369-L378 HydrophobicContact CE3-CD1 4.49Å; W369-L378 HydrophobicContact CG-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CB 3.79Å; W369-L378 HydrophobicContact CH2-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CG 4.47Å; W369-L378 HydrophobicContact CZ2-CB 4.11Å; W369-L378 HydrophobicContact CZ2-CD1 3.79Å; W369-L378 HydrophobicContact CZ2-CG 4.36Å; W369-L378 HydrophobicContact CZ3-CB 3.61Å
370K70.8Confident70Confident64 Ų6467.1 Ų67.128%0.27836%0.359SS..EExtended strand (participates in β ladder)trans-115.5129.5172.8-171.7178.4-178.3171.10109.2D349 L351 V372 H377 V379D349-K370 WeakPolarHBondContact OD1-CE 3.32Å; D349-K370 IonicContact OD1-NZ 2.58Å; D349-K370 PolarHBondContact OD1-NZ 2.83Å; L351-K370 HydrophobicContact CD2-CB 4.08Å; L351-K370 HydrophobicContact CD2-CG 4.33Å; K370-V372 HydrophobicContact CB-CG2 4.33Å; K370-V372 HydrophobicContact CD-CG2 3.8Å; K370-V372 HydrophobicContact CG-CG2 3.78Å; K370-V372 PolarHBondContact O-N 3.01Å; K370-H377 PolarHBondContact N-O 2.85Å; K370-H377 PolarHBondContact O-N 3.07Å; K370-V379 HydrophobicContact CB-CG2 3.65Å
371L64.1Low70.2Confident66 Ų6666.3 Ų66.335%0.34634%0.342SS..EExtended strand (participates in β ladder)trans-83.1103.2173.6-173.567.7000109F376L371-F376 HydrophobicContact CB-CD1 4.44Å; L371-F376 HydrophobicContact CB-CE1 4.26Å; L371-F376 HydrophobicContact CD1-CD1 4.27Å; L371-F376 HydrophobicContact CD1-CD2 4.01Å; L371-F376 HydrophobicContact CD1-CE1 4.19Å; L371-F376 HydrophobicContact CD1-CE2 3.92Å; L371-F376 HydrophobicContact CD1-CG 4.19Å; L371-F376 HydrophobicContact CD1-CZ 4.01Å
372V60.7Low70Confident53 Ų5368.6 Ų68.632%0.32135%0.346SS..EExtended strand (participates in β ladder)trans-112.2114177.2-175.20000107.8K370 G374 I375K370-V372 HydrophobicContact CB-CG2 4.33Å; K370-V372 HydrophobicContact CD-CG2 3.8Å; K370-V372 HydrophobicContact CG-CG2 3.78Å; K370-V372 PolarHBondContact O-N 3.01Å; V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 PolarHBondContact O-N 2.79Å; V372-I375 PolarHBondContact N-O 3.44Å; V372-I375 PolarHBondContact O-N 2.75Å; V372-I375 VanDerWaalsContact O-N 3.07Å
373K59.2Low70.1Confident153 Ų15372.1 Ų72.167%0.66535%0.352SS*.THydrogen-bonded Turntrans54.139.3177.4-55.6-178.4-174.7-164.80113.8E242 I375E242-K373 IonicContact OE1-NZ 3.9Å; E242-K373 PolarHBondContact OE1-NZ 2.93Å; E242-K373 IonicContact OE2-NZ 2.64Å; E242-K373 PolarHBondContact OE2-NZ 2.93Å; K373-I375 VanDerWaalsContact C-N 3.33Å
374G52.8Low70.2Confident62 Ų6270.6 Ų70.664%0.63935%0.348SS*.THydrogen-bonded Turntrans84.10.7178.200000115.1V372V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 PolarHBondContact O-N 2.79Å
375I54.1Low70.2Confident105 Ų10577.9 Ų77.954%0.53838%0.375SS..EExtended strand (participates in β ladder)trans-112.3132.2178.2-56.9175000109.2V372 K373 H377V372-I375 PolarHBondContact N-O 3.44Å; V372-I375 PolarHBondContact O-N 2.75Å; V372-I375 VanDerWaalsContact O-N 3.07Å; K373-I375 VanDerWaalsContact C-N 3.33Å; I375-H377 PolarHBondContact O-CD2 3.45Å; I375-H377 PolarHBondContact O-N 2.93Å
376F62.6Low70.2Confident96 Ų9678.1 Ų78.142%0.42138%0.376SS..EExtended strand (participates in β ladder)trans-78.7118.6172.9-76.1-80.6000110.2H352 W369 L371H352-F376 HydrophobicContact CB-CE1 4.13Å; H352-F376 AromaticContact CD2-CE1 3.52Å; H352-F376 AromaticContact CG-CE1 3.67Å; H352-F376 AromaticContact NE2-CE1 3.87Å; W369-F376 HydrophobicContact CB-CD1 3.93Å; W369-F376 HydrophobicContact CD2-CB 4.48Å; W369-F376 HydrophobicContact CE3-CB 3.78Å; W369-F376 HydrophobicContact CZ3-CB 4.43Å; L371-F376 HydrophobicContact CB-CD1 4.44Å; L371-F376 HydrophobicContact CB-CE1 4.26Å; L371-F376 HydrophobicContact CD1-CD1 4.27Å; L371-F376 HydrophobicContact CD1-CD2 4.01Å; L371-F376 HydrophobicContact CD1-CE1 4.19Å; L371-F376 HydrophobicContact CD1-CE2 3.92Å; L371-F376 HydrophobicContact CD1-CG 4.19Å; L371-F376 HydrophobicContact CD1-CZ 4.01Å
377H57Low70.2Confident99 Ų9985.1 Ų85.146%0.45841%0.408SS..EExtended strand (participates in β ladder)trans-101.8123.9171.4-72-91.2000109.7W369 K370 I375 V379W369-H377 CarbonylContact C-O 3.46Å; W369-H377 VanDerWaalsContact CA-O 3.25Å; W369-H377 WeakPolarHBondContact CA-O 3.01Å; W369-H377 VanDerWaalsContact CE3-C 3.48Å; K370-H377 PolarHBondContact N-O 2.85Å; K370-H377 PolarHBondContact O-N 3.07Å; I375-H377 PolarHBondContact O-CD2 3.45Å; I375-H377 PolarHBondContact O-N 2.93Å; H377-V379 PolarHBondContact O-N 3.02Å
378L65.9Low70.1Confident54 Ų5487.3 Ų87.328%0.28342%0.423SS..EExtended strand (participates in β ladder)trans-67.8117.8172.9-178.665.3000108.5Y367 W369 I381 L417Y367-L378 HydrophobicContact CD1-CD1 3.98Å; W369-L378 HydrophobicContact CD2-CB 4.08Å; W369-L378 HydrophobicContact CD2-CD1 3.95Å; W369-L378 VanDerWaalsContact CE3-CA 3.48Å; W369-L378 HydrophobicContact CE3-CB 3.75Å; W369-L378 HydrophobicContact CE3-CD1 4.49Å; W369-L378 HydrophobicContact CG-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CB 3.79Å; W369-L378 HydrophobicContact CH2-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CG 4.47Å; W369-L378 HydrophobicContact CZ2-CB 4.11Å; W369-L378 HydrophobicContact CZ2-CD1 3.79Å; W369-L378 HydrophobicContact CZ2-CG 4.36Å; W369-L378 HydrophobicContact CZ3-CB 3.61Å; L378-I381 HydrophobicContact CD1-CG1 4.1Å; L378-I381 HydrophobicContact CD2-CD1 3.98Å; L378-I381 HydrophobicContact CD2-CG1 3.99Å; L378-I381 HydrophobicContact CG-CG1 4.47Å; L378-L417 HydrophobicContact CD2-CD1 3.9Å
379V70.1Confident70.4Confident86 Ų8687.1 Ų87.152%0.52142%0.422SS..EExtended strand (participates in β ladder)trans-88.6-49.4178.8-176.70000109.9L351 I368 K370 H377L351-V379 HydrophobicContact CD2-CG2 4.26Å; I368-V379 HydrophobicContact CG2-CB 4.38Å; I368-V379 WeakPolarHBondContact O-CA 3.34Å; I368-V379 WeakPolarHBondContact O-CB 3.16Å; I368-V379 PolarHBondContact O-N 3.42Å; K370-V379 HydrophobicContact CB-CG2 3.65Å; H377-V379 PolarHBondContact O-N 3.02Å
380Q69.1Low70.5Confident95 Ų9590.2 Ų90.244%0.44444%0.439SS..EExtended strand (participates in β ladder)trans-158.8149.3-175.6-168.8176.88.700111.6I368 K382I368-Q380 HydrophobicContact CD1-CB 4.48Å; I368-Q380 PolarHBondContact N-O 3.35Å; I368-Q380 PolarHBondContact O-N 3.17Å; Q380-K382 HydrophobicContact CG-CG 4.14Å
381I76.6Confident70.6Confident69 Ų6995.5 Ų95.535%0.35446%0.462SS..EExtended strand (participates in β ladder)trans-110.8128163.8-53.1172.6000107.6E365 I366 Y367 L378E365-I381 HydrophobicContact CB-CG2 4.36Å; I366-I381 CarbonylContact O-C 3.48Å; I366-I381 WeakPolarHBondContact O-CA 3.33Å; Y367-I381 HydrophobicContact CD1-CD1 3.96Å; Y367-I381 HydrophobicContact CD1-CG1 3.73Å; Y367-I381 HydrophobicContact CE1-CD1 3.48Å; Y367-I381 VanDerWaalsContact CE1-CD1 3.48Å; Y367-I381 HydrophobicContact CE1-CG1 3.76Å; Y367-I381 HydrophobicContact CE1-CG2 4.32Å; Y367-I381 HydrophobicContact CE2-CG2 4.37Å; Y367-I381 HydrophobicContact CG-CG1 4.43Å; L378-I381 HydrophobicContact CD1-CG1 4.1Å; L378-I381 HydrophobicContact CD2-CD1 3.98Å; L378-I381 HydrophobicContact CD2-CG1 3.99Å; L378-I381 HydrophobicContact CG-CG1 4.47Å
382K74.9Confident70.8Confident94 Ų9495.5 Ų95.541%0.40946%0.46SS..EExtended strand (participates in β ladder)trans-114.8134.9174.9-63.5-176.1178.5-177.60109.8E365 I366 I368 Q380 V384E365-K382 CarbonylContact C-O 3.56Å; E365-K382 WeakPolarHBondContact CA-O 3.44Å; I366-K382 HydrophobicContact CB-CB 4.3Å; I366-K382 PolarHBondContact N-O 3.05Å; I366-K382 PolarHBondContact O-N 3.49Å; I368-K382 HydrophobicContact CD1-CD 4.18Å; Q380-K382 HydrophobicContact CG-CG 4.14Å; K382-V384 HydrophobicContact CB-CG2 4.48Å
383R82.3Confident71.3Confident175 Ų17594.6 Ų94.666%0.6646%0.459SS*.EExtended strand (participates in β ladder)trans-102.2123.8171.5-66.2-174171.6161.6-1109.2V364 E365V364-R383 WeakPolarHBondContact O-CA 3.43Å; E365-R383 HydrophobicContact CG-CG 4.24Å; E365-R383 IonicContact OE1-CZ 3.82Å; E365-R383 VanDerWaalsContact OE1-CZ 3.27Å; E365-R383 IonicContact OE1-NE 3.27Å; E365-R383 PolarHBondContact OE1-NE 2.72Å; E365-R383 IonicContact OE1-NH2 3.03Å; E365-R383 PolarHBondContact OE1-NH2 2.82Å
384V81.8Confident72Confident43 Ų4396 Ų9626%0.26147%0.467SS..EExtended strand (participates in β ladder)trans-131.2143.8-176-175.20000108.3Q363 V364 I366 K382 D388Q363-V384 CarbonylContact C-O 3.51Å; Q363-V384 VanDerWaalsContact CA-O 3.27Å; Q363-V384 WeakPolarHBondContact CA-O 3.49Å; V364-V384 HydrophobicContact CG2-CB 4.16Å; V364-V384 WeakPolarHBondContact CG2-O 3.13Å; V364-V384 PolarHBondContact N-O 3Å; V364-V384 PolarHBondContact O-N 3.3Å; I366-V384 HydrophobicContact CD1-CB 4.44Å; I366-V384 HydrophobicContact CD1-CG2 3.87Å; K382-V384 HydrophobicContact CB-CG2 4.48Å; V384-D388 HydrophobicContact CG1-CB 3.83Å
385R83.9Confident73Confident152 Ų15297.2 Ų97.257%0.57446%0.459SS*.EExtended strand (participates in β ladder)trans-66.8143.3175.4-66.6179.9178.1177.4-0.2110D362 Q363 Q387 D388 F389D362-R385 WeakPolarHBondContact O-CA 3.47Å; Q363-R385 HydrophobicContact CG-CG 4.36Å; R385-Q387 PolarHBondContact O-N 2.8Å; R385-D388 PolarHBondContact O-N 3.01Å; R385-F389 PolarHBondContact O-N 3.48Å
386K82.9Confident74.1Confident38 Ų3893.2 Ų93.217%0.16544%0.438CS..Hα-helixtrans-52.8-41178.7-77.7-179.9177.1-1710112.7E357 H358 E359 S361 D362 V364 D388 F389 Q390E357-K386 WeakPolarHBondContact OE1-CD 3.27Å; E357-K386 WeakPolarHBondContact OE1-CE 3.46Å; E357-K386 IonicContact OE1-NZ 2.83Å; E357-K386 PolarHBondContact OE1-NZ 2.89Å; H358-K386 WeakPolarHBondContact O-CE 3.3Å; H358-K386 PolarHBondContact O-NZ 2.81Å; E359-K386 PolarHBondContact O-NZ 2.97Å; S361-K386 WeakPolarHBondContact O-CD 3.49Å; S361-K386 WeakPolarHBondContact O-CE 3.36Å; S361-K386 PolarHBondContact O-NZ 3Å; D362-K386 PolarHBondContact O-N 3.5Å; V364-K386 HydrophobicContact CG1-CG 3.84Å; K386-D388 VanDerWaalsContact C-N 3.31Å; K386-D388 PolarHBondContact O-N 2.91Å; K386-F389 PolarHBondContact O-N 2.85Å; K386-Q390 WeakPolarHBondContact O-CG 3.49Å; K386-Q390 PolarHBondContact O-N 3.3Å
387Q79Confident75Confident151 Ų15197 Ų9771%0.70645%0.45SS*.Hα-helixtrans-60.5-38.4178.6-65.4179.41.800112.7R385R385-Q387 PolarHBondContact O-N 2.8Å
388D78.1Confident76Confident90 Ų9096.7 Ų96.748%0.48145%0.451SS..Hα-helixtrans-76.4-33.7178.5-63.1-41.4000111.3V384 R385 K386V384-D388 HydrophobicContact CG1-CB 3.83Å; R385-D388 PolarHBondContact O-N 3.01Å; K386-D388 VanDerWaalsContact C-N 3.31Å; K386-D388 PolarHBondContact O-N 2.91Å
389F78.8Confident76.6Confident12 Ų1298.6 Ų98.65%0.05346%0.461CS..Hα-helixtrans-70.6-29.2176.2179.9-109.1000113.5V355 V364 I366 R385 K386 K391 E392 A393 F396V355-F389 HydrophobicContact CB-CE2 4.43Å; V355-F389 HydrophobicContact CB-CZ 4.07Å; V355-F389 HydrophobicContact CG1-CE1 4.02Å; V355-F389 HydrophobicContact CG1-CE2 4.07Å; V355-F389 HydrophobicContact CG1-CZ 3.76Å; V355-F389 HydrophobicContact CG2-CE2 3.72Å; V355-F389 HydrophobicContact CG2-CZ 3.73Å; V364-F389 HydrophobicContact CG1-CD1 4.36Å; V364-F389 HydrophobicContact CG2-CB 3.66Å; V364-F389 HydrophobicContact CG2-CD1 4.2Å; V364-F389 HydrophobicContact CG2-CD2 4.25Å; V364-F389 HydrophobicContact CG2-CG 3.77Å; I366-F389 HydrophobicContact CD1-CD2 4.19Å; I366-F389 HydrophobicContact CD1-CE2 4.47Å; R385-F389 PolarHBondContact O-N 3.48Å; K386-F389 PolarHBondContact O-N 2.85Å; F389-K391 PolarHBondContact O-N 3.44Å; F389-E392 CarbonylContact O-C 3.57Å; F389-E392 WeakPolarHBondContact O-CA 3.33Å; F389-E392 PolarHBondContact O-N 2.03Å; F389-A393 HydrophobicContact CD1-CB 4.16Å; F389-A393 HydrophobicContact CE1-CB 3.83Å; F389-A393 HydrophobicContact CZ-CB 4.3Å; F389-A393 PolarHBondContact O-N 2.79Å; F389-F396 AromaticContact CE2-CD2 3.83Å; F389-F396 HydrophobicContact CE2-CD2 3.83Å; F389-F396 AromaticContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CG 4.44Å; F389-F396 HydrophobicContact CE2-CZ 4.16Å; F389-F396 HydrophobicContact CZ-CB 4.46Å; F389-F396 AromaticContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CE2 4.05Å; F389-F396 AromaticContact CZ-CG 4Å; F389-F396 HydrophobicContact CZ-CG 4Å
390Q75.8Confident76.8Confident137 Ų13798.4 Ų98.464%0.6446%0.46SS*.THydrogen-bonded Turntrans-55-29.5179.1-82-177.9-5.300113.6K386 E392K386-Q390 WeakPolarHBondContact O-CG 3.49Å; K386-Q390 PolarHBondContact O-N 3.3Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.26Å
391K72.6Confident77.2Confident176 Ų17695.6 Ų95.677%0.76546%0.457SS*.THydrogen-bonded Turntrans-68-27.4175.8-64.1176.8-177.3170.50113F389F389-K391 PolarHBondContact O-N 3.44Å
392E68.6Low77Confident65 Ų6594.1 Ų94.130%0.30445%0.451SS..THydrogen-bonded Turntrans-104.3-15.5-178.9-154.8-175.5-177.300112.8R353 F389 Q390 Q394 N395 F396R353-E392 IonicContact CZ-OE1 2.86Å; R353-E392 VanDerWaalsContact CZ-OE1 3.3Å; R353-E392 IonicContact CZ-OE2 3.2Å; R353-E392 IonicContact NH1-OE1 3.04Å; R353-E392 PolarHBondContact NH1-OE1 3.37Å; R353-E392 IonicContact NH1-OE2 2.85Å; R353-E392 VanDerWaalsContact NH2-CD 3.3Å; R353-E392 IonicContact NH2-OE1 3.3Å; R353-E392 PolarHBondContact NH2-OE1 3.41Å; R353-E392 IonicContact NH2-OE2 3.84Å; R353-E392 PolarHBondContact NH2-OE2 2.04Å; F389-E392 CarbonylContact O-C 3.57Å; F389-E392 WeakPolarHBondContact O-CA 3.33Å; F389-E392 PolarHBondContact O-N 2.03Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.26Å; E392-Q394 PolarHBondContact O-N 2.98Å; E392-N395 WeakPolarHBondContact O-CB 3Å; E392-N395 PolarHBondContact O-N 3.34Å; E392-F396 HydrophobicContact CG-CE2 4.05Å; E392-F396 WeakPolarHBondContact O-CD2 3.22Å
393A70.4Confident76.8Confident35 Ų3592.6 Ų92.629%0.28945%0.445SS..G310 helixtrans-55.7-26.9-175.600000114.1F389 N395 F396F389-A393 HydrophobicContact CD1-CB 4.16Å; F389-A393 HydrophobicContact CE1-CB 3.83Å; F389-A393 HydrophobicContact CZ-CB 4.3Å; F389-A393 PolarHBondContact O-N 2.79Å; A393-N395 PolarHBondContact O-N 2.76Å; A393-F396 PolarHBondContact O-N 3.31Å
394Q74Confident76Confident181 Ų18187.3 Ų87.385%0.84643%0.428SS*.G310 helixtrans-62.4-21.4176.7-62-177.59.600113.4E392 F396E392-Q394 PolarHBondContact O-N 2.98Å; Q394-F396 VanDerWaalsContact C-N 3.32Å
395N74.2Confident74.7Confident89 Ų8986.6 Ų86.648%0.47643%0.429SS..G310 helixtrans-88.91.8178-61.5-37000113L339 V340 E392 A393L339-N395 HydrophobicContact CD1-CB 3.84Å; V340-N395 PolarHBondContact N-O 2.98Å; E392-N395 WeakPolarHBondContact O-CB 3Å; E392-N395 PolarHBondContact O-N 3.34Å; A393-N395 PolarHBondContact O-N 2.76Å
396F77.7Confident73.5Confident20 Ų2084.5 Ų84.59%0.08842%0.422CS..EExtended strand (participates in β ladder)trans-115.1140.4-175.2-71.9-94.1000111.7T338 L339 R353 V355 F389 E392 A393 Q394T338-F396 VanDerWaalsContact C-CD1 3.42Å; T338-F396 CarbonylContact O-C 3.5Å; T338-F396 VanDerWaalsContact O-CA 3.28Å; T338-F396 WeakPolarHBondContact O-CA 2.99Å; L339-F396 HydrophobicContact CB-CD1 4.12Å; L339-F396 HydrophobicContact CB-CE1 3.7Å; L339-F396 HydrophobicContact CB-CZ 4.17Å; L339-F396 HydrophobicContact CD1-CD1 4.39Å; L339-F396 HydrophobicContact CD1-CD2 4.14Å; L339-F396 HydrophobicContact CD1-CE1 3.93Å; L339-F396 HydrophobicContact CD1-CE2 3.67Å; L339-F396 HydrophobicContact CD1-CG 4.48Å; L339-F396 HydrophobicContact CD1-CZ 3.55Å; L339-F396 HydrophobicContact CG-CE1 4.45Å; L339-F396 HydrophobicContact CG-CZ 4.46Å; L339-F396 VanDerWaalsContact N-CD1 3.34Å; R353-F396 HydrophobicContact CB-CE1 4.12Å; R353-F396 HydrophobicContact CB-CZ 4.4Å; V355-F396 HydrophobicContact CG2-CD1 3.64Å; V355-F396 HydrophobicContact CG2-CE1 3.34Å; V355-F396 HydrophobicContact CG2-CE2 4.49Å; V355-F396 HydrophobicContact CG2-CG 4.37Å; V355-F396 HydrophobicContact CG2-CZ 3.81Å; F389-F396 AromaticContact CE2-CD2 3.83Å; F389-F396 HydrophobicContact CE2-CD2 3.83Å; F389-F396 AromaticContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CG 4.44Å; F389-F396 HydrophobicContact CE2-CZ 4.16Å; F389-F396 HydrophobicContact CZ-CB 4.46Å; F389-F396 AromaticContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CE2 4.05Å; F389-F396 AromaticContact CZ-CG 4Å; F389-F396 HydrophobicContact CZ-CG 4Å; E392-F396 HydrophobicContact CG-CE2 4.05Å; E392-F396 WeakPolarHBondContact O-CD2 3.22Å; A393-F396 PolarHBondContact O-N 3.31Å; Q394-F396 VanDerWaalsContact C-N 3.32Å
397R81.4Confident72.5Confident177 Ų17784.9 Ų84.967%0.66842%0.422SS*.EExtended strand (participates in β ladder)trans-109.3135.6174.3177.9179.5172.9-175.90.1109.8Y337 T338 V340 L399Y337-R397 CarbonylContact C-O 3.58Å; Y337-R397 VanDerWaalsContact CA-O 3.27Å; Y337-R397 WeakPolarHBondContact CA-O 3.35Å; T338-R397 HydrophobicContact CG2-CB 4.49Å; T338-R397 PolarHBondContact N-O 3.32Å; T338-R397 PolarHBondContact O-N 3.26Å; V340-R397 HydrophobicContact CG2-CB 3.79Å; R397-L399 PolarHBondContact O-N 2.98Å
398L78.6Confident71.2Confident92 Ų9281.1 Ų81.148%0.48241%0.409SS..EExtended strand (participates in β ladder)trans-63.8126172.3-176.169.5000110.2Y337Y337-L398 HydrophobicContact CD1-CB 4.06Å; Y337-L398 HydrophobicContact CD1-CD1 3.98Å; Y337-L398 HydrophobicContact CE1-CB 4.1Å; Y337-L398 HydrophobicContact CE1-CD1 3.66Å; Y337-L398 HydrophobicContact CE1-CG 4.47Å; Y337-L398 HydrophobicContact CE2-CD1 4.44Å; Y337-L398 HydrophobicContact CG-CD1 4.49Å
399L78.3Confident69.8Low94 Ų9481.1 Ų81.149%0.49241%0.413SS..EExtended strand (participates in β ladder)trans-94.1-48.2175.1-75.7-178.9000111.9V336 T338 F354 R397V336-L399 WeakPolarHBondContact O-CB 3.32Å; V336-L399 PolarHBondContact O-N 3.17Å; T338-L399 HydrophobicContact CG2-CD1 3.92Å; T338-L399 HydrophobicContact CG2-CD2 3.58Å; T338-L399 HydrophobicContact CG2-CG 3.61Å; F354-L399 HydrophobicContact CD1-CD1 3.79Å; F354-L399 HydrophobicContact CE1-CD1 3.7Å; R397-L399 PolarHBondContact O-N 2.98Å
400T73.9Confident68.2Low81 Ų8187.6 Ų87.650%0.49744%0.441SS..EExtended strand (participates in β ladder)trans-161.7159.7-177.2-171.50000110.3V336V336-T400 HydrophobicContact CB-CG2 4.01Å; V336-T400 HydrophobicContact CG2-CG2 4.1Å; V336-T400 PolarHBondContact N-O 3.24Å; V336-T400 PolarHBondContact O-N 2.98Å
401G78.3Confident66.9Low37 Ų3784.3 Ų84.338%0.38143%0.427SS..EExtended strand (participates in β ladder)trans-139.1142.6171.800000109.8V334V334-G401 CarbonylContact O-C 3.5Å; V334-G401 VanDerWaalsContact O-CA 3.27Å; V334-G401 WeakPolarHBondContact O-CA 3.29Å
402T71.4Confident64.9Low38 Ų3880 Ų8023%0.23343%0.425CS..EExtended strand (participates in β ladder)trans-144.4177.9175.1-1680000109.3Q333 V334 W407Q333-T402 WeakPolarHBondContact CG-O 3.48Å; V334-T402 PolarHBondContact N-O 2.03Å; V334-T402 PolarHBondContact O-N 3.48Å; V334-T402 VanDerWaalsContact O-O 3.12Å; T402-W407 HydrophobicContact CG2-CB 3.98Å; T402-W407 HydrophobicContact CG2-CE3 3.92Å
403H71.8Confident63.5Low62 Ų6284.9 Ų84.929%0.28745%0.448SS..EExtended strand (participates in β ladder)trans-91.3152.4174.263.1-84.5000111P331 G405 Y406 W407P331-H403 HydrophobicContact CB-CB 4.48Å; P331-H403 HydrophobicContact CG-CB 4.43Å; H403-G405 PolarHBondContact O-N 2.94Å; H403-G405 VanDerWaalsContact O-N 3.14Å; H403-Y406 AromaticContact CD2-CD2 3.78Å; H403-Y406 PolarHBondContact CD2-N 3.25Å; H403-Y406 AromaticContact CE1-CD1 3.69Å; H403-Y406 AromaticContact CE1-CD2 2.9Å; H403-Y406 WeakPolarHBondContact CE1-CD2 3.34Å; H403-Y406 AromaticContact CE1-CE1 3.85Å; H403-Y406 AromaticContact CE1-CE2 3.02Å; H403-Y406 WeakPolarHBondContact CE1-CE2 3.25Å; H403-Y406 AromaticContact CE1-CG 3.15Å; H403-Y406 AromaticContact CE1-CZ 3.5Å; H403-Y406 VanDerWaalsContact CE1-CZ 3.5Å; H403-Y406 AromaticContact ND1-CD2 3.97Å; H403-Y406 AromaticContact ND1-CG 3.9Å; H403-Y406 AromaticContact NE2-CD2 2.72Å; H403-Y406 WeakPolarHBondContact NE2-CD2 3.27Å; H403-Y406 AromaticContact NE2-CE2 2.95Å; H403-Y406 WeakPolarHBondContact NE2-CE2 3.08Å; H403-Y406 AromaticContact NE2-CG 3.42Å; H403-Y406 AromaticContact NE2-CZ 3.89Å; H403-Y406 PolarHBondContact O-N 3.05Å; H403-W407 PolarHBondContact O-N 2.81Å
404E64.9Low61.8Low64 Ų6487.7 Ų87.730%0.29946%0.461SS..Hα-helixtrans-56.6-33.5-174.2-175.7161.4-130.300113.1G332 V334 H358 Y406 W407 T408G332-E404 WeakPolarHBondContact O-CB 3.45Å; G332-E404 PolarHBondContact O-N 2.86Å; V334-E404 HydrophobicContact CG2-CB 3.93Å; V334-E404 HydrophobicContact CG2-CG 4.38Å; H358-E404 IonicContact CE1-OE1 3.35Å; H358-E404 IonicContact ND1-OE1 3.23Å; H358-E404 PolarHBondContact ND1-OE1 3.44Å; E404-Y406 PolarHBondContact O-N 3.1Å; E404-W407 PolarHBondContact O-N 2.79Å; E404-T408 WeakPolarHBondContact O-CG2 3.47Å; E404-T408 PolarHBondContact O-N 3.44Å; E404-T408 PolarHBondContact O-OG1 3.4Å
405G55.2Low59.7Low27 Ų2784.5 Ų84.528%0.27846%0.456SS..Hα-helixtrans-61-39.5173.400000113.8H403 T408 V409H403-G405 PolarHBondContact O-N 2.94Å; H403-G405 VanDerWaalsContact O-N 3.14Å; G405-T408 PolarHBondContact O-OG1 3.19Å; G405-V409 WeakPolarHBondContact O-CG2 3.4Å
406Y57Low57.7Low109 Ų10988.6 Ų88.643%0.42747%0.472SS..Hα-helixtrans-83.2-32.1175.1-82.3-146.7000111H403 E404 T408 V409 F410H403-Y406 AromaticContact CD2-CD2 3.78Å; H403-Y406 PolarHBondContact CD2-N 3.25Å; H403-Y406 AromaticContact CE1-CD1 3.69Å; H403-Y406 AromaticContact CE1-CD2 2.9Å; H403-Y406 WeakPolarHBondContact CE1-CD2 3.34Å; H403-Y406 AromaticContact CE1-CE1 3.85Å; H403-Y406 AromaticContact CE1-CE2 3.02Å; H403-Y406 WeakPolarHBondContact CE1-CE2 3.25Å; H403-Y406 AromaticContact CE1-CG 3.15Å; H403-Y406 AromaticContact CE1-CZ 3.5Å; H403-Y406 VanDerWaalsContact CE1-CZ 3.5Å; H403-Y406 AromaticContact ND1-CD2 3.97Å; H403-Y406 AromaticContact ND1-CG 3.9Å; H403-Y406 AromaticContact NE2-CD2 2.72Å; H403-Y406 WeakPolarHBondContact NE2-CD2 3.27Å; H403-Y406 AromaticContact NE2-CE2 2.95Å; H403-Y406 WeakPolarHBondContact NE2-CE2 3.08Å; H403-Y406 AromaticContact NE2-CG 3.42Å; H403-Y406 AromaticContact NE2-CZ 3.89Å; H403-Y406 PolarHBondContact O-N 3.05Å; E404-Y406 PolarHBondContact O-N 3.1Å; Y406-T408 PolarHBondContact O-N 2.89Å; Y406-V409 WeakPolarHBondContact O-CB 3.49Å; Y406-V409 PolarHBondContact O-N 3.03Å; Y406-F410 WeakPolarHBondContact O-CD2 3.5Å; Y406-F410 PolarHBondContact O-N 2.89Å
407W63.2Low55.5Low46 Ų4693.3 Ų93.317%0.17450%0.498CS..Hα-helixtrans-60.5-43.4176.3-174.3-107.3000112.8V334 V336 L356 H358 T402 H403 E404 V409 F410 L411V334-W407 HydrophobicContact CB-CB 4.12Å; V334-W407 HydrophobicContact CB-CD2 4.38Å; V334-W407 HydrophobicContact CB-CG 4.06Å; V334-W407 HydrophobicContact CG1-CB 4.31Å; V334-W407 HydrophobicContact CG1-CD2 3.68Å; V334-W407 HydrophobicContact CG1-CE3 4.14Å; V334-W407 HydrophobicContact CG1-CG 3.71Å; V334-W407 HydrophobicContact CG2-CB 3.94Å; V334-W407 HydrophobicContact CG2-CG 4.04Å; V336-W407 HydrophobicContact CG2-CH2 3.61Å; V336-W407 HydrophobicContact CG2-CZ3 3.62Å; L356-W407 HydrophobicContact CD1-CD2 4.26Å; L356-W407 HydrophobicContact CD1-CH2 3.68Å; L356-W407 HydrophobicContact CD1-CZ2 3.2Å; L356-W407 HydrophobicContact CD1-CZ3 4.36Å; L356-W407 HydrophobicContact CD2-CZ2 3.63Å; L356-W407 HydrophobicContact CG-CZ2 4.04Å; H358-W407 AromaticContact CE1-CD1 3.74Å; H358-W407 AromaticContact NE2-CD1 3.92Å; H358-W407 AromaticContact NE2-NE1 3.77Å; T402-W407 HydrophobicContact CG2-CB 3.98Å; T402-W407 HydrophobicContact CG2-CE3 3.92Å; H403-W407 PolarHBondContact O-N 2.81Å; E404-W407 PolarHBondContact O-N 2.79Å; W407-V409 PolarHBondContact O-N 3.33Å; W407-F410 WeakPolarHBondContact O-CB 3.46Å; W407-F410 PolarHBondContact O-N 3.49Å; W407-L411 VanDerWaalsContact CD1-CD1 3.46Å; W407-L411 PolarHBondContact O-N 2.85Å; W407-L411 VanDerWaalsContact O-N 3.09Å
408T52.2Low52.9Low71 Ų7193.6 Ų93.644%0.43650%0.504SS..Hα-helixtrans-63-27.8177.347.80000113.1E404 G405 Y406 F410 L411 A412E404-T408 WeakPolarHBondContact O-CG2 3.47Å; E404-T408 PolarHBondContact O-N 3.44Å; E404-T408 PolarHBondContact O-OG1 3.4Å; G405-T408 PolarHBondContact O-OG1 3.19Å; Y406-T408 PolarHBondContact O-N 2.89Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 2.98Å; T408-L411 PolarHBondContact O-N 3.44Å; T408-A412 WeakPolarHBondContact O-CB 3.36Å; T408-A412 PolarHBondContact O-N 2.9Å; T408-A412 VanDerWaalsContact O-N 3.13Å
409V48.2Very low50.5Low91 Ų9195.2 Ų95.255%0.55252%0.517SS*.Hα-helixtrans-66.5-32.3172.31780000111.7G405 Y406 W407G405-V409 WeakPolarHBondContact O-CG2 3.4Å; Y406-V409 WeakPolarHBondContact O-CB 3.49Å; Y406-V409 PolarHBondContact O-N 3.03Å; W407-V409 PolarHBondContact O-N 3.33Å
410F45.2Very low48Very low148 Ų14897 Ų9765%0.64953%0.533SS*.Hα-helixtrans-80-31.7175.5-67.7-76.5000113Y406 W407 T408Y406-F410 WeakPolarHBondContact O-CD2 3.5Å; Y406-F410 PolarHBondContact O-N 2.89Å; W407-F410 WeakPolarHBondContact O-CB 3.46Å; W407-F410 PolarHBondContact O-N 3.49Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 2.98Å
411L48.3Very low45.7Very low67 Ų6797.2 Ų97.235%0.35154%0.542SS..Hα-helixtrans-75.6-29.1178.6-78.1173.4000114W407 T408 Q413 T414W407-L411 VanDerWaalsContact CD1-CD1 3.46Å; W407-L411 PolarHBondContact O-N 2.85Å; W407-L411 VanDerWaalsContact O-N 3.09Å; T408-L411 PolarHBondContact O-N 3.44Å; L411-Q413 PolarHBondContact O-N 3.33Å; L411-T414 PolarHBondContact O-N 3.45Å; L411-T414 PolarHBondContact O-OG1 3.11Å
412A31.4Very low43.2Very low87 Ų87100.5 Ų100.572%0.71956%0.56SS**THydrogen-bonded Turntrans-65.95.7-173.900000115.3T408T408-A412 WeakPolarHBondContact O-CB 3.36Å; T408-A412 PolarHBondContact O-N 2.9Å; T408-A412 VanDerWaalsContact O-N 3.13Å
413Q38Very low41.2Very low167 Ų167104 Ų10478%0.7858%0.583SS**THydrogen-bonded Turntrans-107.7-4.1179.1-64.8-173.33.700114.5L411 P415L411-Q413 PolarHBondContact O-N 3.33Å; Q413-P415 WeakPolarHBondContact O-CD 3.1Å
414T34Very low39.2Very low93 Ų93108.3 Ų108.357%0.57161%0.608SS**SBendtrans-91.9113.4164.334.10000108.6L411 E416L411-T414 PolarHBondContact O-N 3.45Å; L411-T414 PolarHBondContact O-OG1 3.11Å; T414-E416 PolarHBondContact O-N 2.74Å
415P30.6Very low37.5Very low114 Ų114115.1 Ų115.174%0.7464%0.637SS**  trans-52.8135.5158.424.6-30.2000106Q413 L417Q413-P415 WeakPolarHBondContact O-CD 3.1Å; P415-L417 PolarHBondContact O-N 3.17Å
416E32.3Very low36.2Very low175 Ų175119.5 Ų119.582%0.81866%0.658SS**  trans-38.7111.1174.4-71.8-179.5156.100108.2T414 K418T414-E416 PolarHBondContact O-N 2.74Å; E416-K418 PolarHBondContact O-N 2.81Å
417L32.3Very low34.9Very low120 Ų120120.2 Ų120.263%0.62867%0.674SS**  trans-57.397163.2-93.3148.9000103.4L378 P415 V419L378-L417 HydrophobicContact CD2-CD1 3.9Å; P415-L417 PolarHBondContact O-N 3.17Å; L417-V419 PolarHBondContact O-N 2.72Å
418K26.2Very low33.1Very low183 Ų183127.7 Ų127.780%0.79671%0.707SS**  trans-59.190.5160.9-84.8-176.6176.7178.50104.3E416 T420E416-K418 PolarHBondContact O-N 2.81Å; K418-T420 PolarHBondContact O-N 2.69Å
419V28Very low31.9Very low125 Ų125130.1 Ų130.176%0.75872%0.723SS**  trans-60.594162.31790000103.1L417 A421L417-V419 PolarHBondContact O-N 2.72Å; V419-A421 VanDerWaalsContact C-N 3.25Å; V419-A421 PolarHBondContact O-N 2.77Å
420T25.6Very low31.1Very low132 Ų132137.5 Ų137.581%0.8176%0.757SS**  trans-56.5104.6160.126.40000105K418 S422K418-T420 PolarHBondContact O-N 2.69Å; T420-S422 PolarHBondContact O-N 2.67Å; T420-S422 VanDerWaalsContact O-N 3.08Å
421A26Very low30.4Very low85 Ų85137 Ų13770%0.70276%0.763SS**PPolyproline II helixtrans-47.8118.5161.400000106.4V419V419-A421 VanDerWaalsContact C-N 3.25Å; V419-A421 PolarHBondContact O-N 2.77Å
422S25.9Very low29.4Very low107 Ų107140.6 Ų140.675%0.74879%0.785SS**PPolyproline II helixtrans-55.9130.2164.31780000106.6T420 D424T420-S422 PolarHBondContact O-N 2.67Å; T420-S422 VanDerWaalsContact O-N 3.08Å; S422-D424 PolarHBondContact O-N 3.47Å
423P29.1Very low29.3Very low111 Ų111143.6 Ų143.672%0.72179%0.788SS**PPolyproline II helixtrans-59.8138.3178.723.9-30.8000109.3K425P423-K425 PolarHBondContact O-N 2.81Å; P423-K425 VanDerWaalsContact O-N 3.13Å
424D28.9Very low28.8Very low153 Ų153142.2 Ų142.282%0.81879%0.789SS**  trans-41.4115.4175.3-67.9-58.4000111S422 V426S422-D424 PolarHBondContact O-N 3.47Å; D424-V426 PolarHBondContact O-N 2.72Å
425K30.2Very low28.5Very low207 Ų207145.3 Ų145.390%0.980%0.802SS**  trans-79.589.5161.8-153.4177.1-173.3-175.80106.6P423 T427P423-K425 PolarHBondContact O-N 2.81Å; P423-K425 VanDerWaalsContact O-N 3.13Å; K425-T427 PolarHBondContact O-N 3.13Å
426V26.9Very low28.4Very low118 Ų118147.4 Ų147.472%0.71581%0.806SS**  trans-37.1122.8167.2171.90000110.2D424 K428D424-V426 PolarHBondContact O-N 2.72Å; V426-K428 PolarHBondContact O-N 3.44Å
427T30.3Very low28.1Very low125 Ų125145.4 Ų145.477%0.76781%0.806SS**  trans-43.5117.7162.1-33.90000109.4K425K425-T427 PolarHBondContact O-N 3.13Å
428K25.9Very low27.8Very low202 Ų202147.4 Ų147.488%0.87882%0.819SS**  trans-121.698157.2-130.9177.9-175.1178.30107.8V426V426-K428 PolarHBondContact O-N 3.44Å
429T27.4Very low27.9Very low123 Ų123144.4 Ų144.476%0.75582%0.821SS**  trans-35.1126.8153.2-1.70000110.9
430L30.4Very low27.9Very low245 Ų245146.2 Ų146.2100%1.28383%0.827SS**  -158.80128.5-102.2162.9000108.4

Retrieved 430 of 430 residues in 63.6 ms (Link to these results)