A0A087X074_HUMAN Loading...

Spindlin family member 2A

AlphaFold DB , UniProt , Accession A0A087X074, Species HUMAN (Homo sapiens, Human), Gene SPIN2A, Length 157 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
1M41.6Very low36.5Very low247 Ų247141.4 Ų141.4100%1.21779%0.785SS**  0161.90-65.3171.9-176.900108.3
2K38.4Very low36.2Very low214 Ų214144.3 Ų144.393%0.9379%0.788SS**  trans-88.3132.1-169.3-83.5-174.4173.3-1780114
3T38.9Very low36.4Very low130 Ų130146.8 Ų146.880%0.79879%0.791SS**  trans-85.6-179.3146.5300000109.2
4P53.9Low36Very low113 Ų113145.4 Ų145.473%0.73479%0.79SS**  cis-147.3-179.917.747.3-28.4000119.2
5N32.2Very low35.9Very low141 Ų141151.5 Ų151.575%0.75480%0.797SS**  trans81.2146137.4-144.529.7000123.8
6A36Very low35.7Very low69 Ų69148.3 Ų148.357%0.5780%0.798SS**  trans64.3162.114900000119.5
7Q36.3Very low35.5Very low150 Ų150145 Ų14570%0.70180%0.797SS**  cis-168.8169.8-19.4-99.9157-121.700105.1
8E28.7Very low35.2Very low154 Ų154143.1 Ų143.172%0.7280%0.803SS**  cis-157.9147.72.8-127.7164.711800108.8
9A33.4Very low35Very low82 Ų82139.8 Ų139.868%0.67880%0.804SS**  71.1176.9112.100000118.9
10E33Very low34.9Very low195 Ų195145.2 Ų145.291%0.91181%0.811SS**  trans64.9145.3-172.7-53.9-149.7120.100117.4
11G28.6Very low35.2Very low60 Ų60143 Ų14362%0.61981%0.812SS**  cis163.6135.6-10.300000113.7
12Q33.6Very low34.8Very low177 Ų177138.2 Ų138.283%0.82780%0.796SS**  trans67.9159171.2-43.6-177.822.600114.5
13Q38Very low34.4Very low177 Ų177131.9 Ų131.983%0.82779%0.792SS**  cis-140.3165.25.7-152.8171.819.100111.5
14T31.2Very low34.4Very low126 Ų126131.5 Ų131.577%0.77380%0.795SS**  trans-109.1149.7-16549.20000115.6
15R34.5Very low33.7Very low238 Ų238130.5 Ų130.590%0.89880%0.796SS**  trans56.6119154.1-79.4-176.1166.9-176.2-3.5120.1
16A32.9Very low34.2Very low99 Ų99131.1 Ų131.182%0.81880%0.799SS**  45.6140.1120.200000120.1
17A31.6Very low34.5Very low93 Ų93136.3 Ų136.377%0.76981%0.814SS**  cis-164.3173.536.800000113.7
18A31.6Very low34.9Very low111 Ų111135.4 Ų135.492%0.91782%0.819SS**  trans56.3111.215500000119.5
19G30.8Very low35.9Very low80 Ų80137.7 Ų137.783%0.82583%0.826SS**  trans-161.8122.8168.400000112.2
20R33.3Very low36.6Very low247 Ų247143.2 Ų143.293%0.93284%0.835SS**  trans-72.9135.4-173.9-76.8172.5164.3176.3-5.8113.7
21A40.8Very low37.2Very low101 Ų101143 Ų14384%0.83583%0.831SS**  trans17.1122.4141.900000120.1
22T32.2Very low38Very low145 Ų145146.5 Ų146.589%0.8984%0.84SS**  trans-141.4152.416047.50000111.3
23G31.2Very low38.4Very low81 Ų81143.1 Ų143.184%0.83584%0.836SS**  trans71.678155.300000119.2
24S38Very low39.2Very low123 Ų123143.5 Ų143.586%0.8684%0.838SS**PPolyproline II helixtrans-95.4139.1152.1-170.70000109.8
25A39.6Very low39.8Very low91 Ų91146.5 Ų146.575%0.75284%0.84SS**PPolyproline II helixtrans-78.8150.8-165.400000114.5M27A25-M27 PolarHBondContact O-N 2.77Å
26N43Very low40.2Very low154 Ų154144.7 Ų144.782%0.82484%0.839SS**PPolyproline II helixtrans-66.3119.3-179.6-72.1-40.7000112.6
27M41.8Very low40.8Very low179 Ų179148.2 Ų148.288%0.88284%0.838SS**  trans-115.277.2167.5-82.3-70-164.400110.5A25 K29A25-M27 PolarHBondContact O-N 2.77Å; M27-K29 PolarHBondContact O-N 3.14Å
28T45Very low41.3Very low131 Ų131155.4 Ų155.480%0.80485%0.845SS**  trans-68.398.7176.826.40000111K30T28-K30 PolarHBondContact O-N 3.17Å
29K49.4Very low41.8Very low201 Ų201153 Ų15387%0.87483%0.832SS**  trans-60.694.3172.4-72-175.8178.21790110.4M27 K31M27-K29 PolarHBondContact O-N 3.14Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 2.88Å
30K47.8Very low42.6Very low198 Ų198159.4 Ų159.486%0.86183%0.831SS**  trans-65.587.5179-169.9172.1-174.4176.80110T28 V32T28-K30 PolarHBondContact O-N 3.17Å; K30-V32 PolarHBondContact O-N 3.31Å; K30-V32 VanDerWaalsContact O-N 3.1Å
31K47.1Very low42.9Very low191 Ų191152 Ų15283%0.8382%0.815SS**  trans-55.1117.2172.7-75.4-173.4176.6-178.50108.5K29 S33K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 2.88Å; K31-S33 PolarHBondContact O-N 3.18Å
32V44.1Very low43.3Very low133 Ų133151.4 Ų151.481%0.80681%0.805SS**  trans-69.199.2167.81760000106.8K30 Q34K30-V32 PolarHBondContact O-N 3.31Å; K30-V32 VanDerWaalsContact O-N 3.1Å; V32-Q34 PolarHBondContact O-N 2.85Å
33S43Very low44Very low107 Ų107149.8 Ų149.875%0.74880%0.799SS**  trans-58112.3167.8-66.90000107.9K31 K35K31-S33 PolarHBondContact O-N 3.18Å; S33-K35 VanDerWaalsContact C-N 3.29Å; S33-K35 PolarHBondContact O-N 3.16Å
34Q55Low44.7Very low185 Ų185150.7 Ų150.786%0.86478%0.781SS**  trans-60.197.8166.9-75.6-177.9-2300107.4V32 K36V32-Q34 PolarHBondContact O-N 2.85Å; Q34-K36 PolarHBondContact O-N 2.88Å
35K42.3Very low45.1Very low188 Ų188150.3 Ų150.382%0.81778%0.776SS**  trans-66.187.1173.3-177.5178.4-179.7178.30106.8S33 Q37S33-K35 VanDerWaalsContact C-N 3.29Å; S33-K35 PolarHBondContact O-N 3.16Å; K35-Q37 VanDerWaalsContact C-N 3.28Å; K35-Q37 PolarHBondContact O-N 2.7Å
36K43.6Very low45.9Very low200 Ų200155.4 Ų155.487%0.8778%0.776SS**  trans-57.793.1177.6-171174.4-173.9175.60107.5Q34 R38Q34-K36 PolarHBondContact O-N 2.88Å; K36-R38 VanDerWaalsContact C-N 3.27Å; K36-R38 PolarHBondContact O-N 3.29Å
37Q45.5Very low47Very low173 Ų173155.4 Ų155.481%0.80877%0.765SS**  trans-63.696.7173.8-77.8-179.6-82.800106.3K35 G39K35-Q37 VanDerWaalsContact C-N 3.28Å; K35-Q37 PolarHBondContact O-N 2.7Å; Q37-G39 PolarHBondContact O-N 3.35Å
38R42.8Very low48.6Very low244 Ų244152.2 Ų152.292%0.92175%0.751SS**  trans-57.5104.9166.8-171.8178.5-173.8-176.41.3105.2K36 R40K36-R38 VanDerWaalsContact C-N 3.27Å; K36-R38 PolarHBondContact O-N 3.29Å; R38-R40 PolarHBondContact O-N 2.98Å
39G40.7Very low50.3Low61 Ų61147.8 Ų147.863%0.62972%0.722SS**  trans-55.4124.3-157.900000111.9Q37 P41Q37-G39 PolarHBondContact O-N 3.35Å; G39-P41 VanDerWaalsContact O-CD 3.26Å; G39-P41 WeakPolarHBondContact O-CD 3.41Å
40R49.2Very low52Low215 Ų215139.4 Ų139.481%0.81169%0.688SS**  trans-66.6121.6162.1-175.4-177-177.3179.6-0.3106R38 S42R38-R40 PolarHBondContact O-N 2.98Å; R40-S42 PolarHBondContact O-N 3.1Å
41P39.4Very low53.8Low92 Ų92131.5 Ų131.560%0.59766%0.662SS**  trans-72.762.1174.7-17.434.2000110.7G39 S43 Q44G39-P41 VanDerWaalsContact O-CD 3.26Å; G39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-S43 PolarHBondContact O-N 3.27Å; P41-Q44 HydrophobicContact CB-CG 3.92Å; P41-Q44 PolarHBondContact O-N 2.88Å
42S48.2Very low55.7Low88 Ų88124.3 Ų124.362%0.61564%0.636SS**THydrogen-bonded Turntrans-80.439.7-168.8-160.20000112.8R40R40-S42 PolarHBondContact O-N 3.1Å
43S46.8Very low57.9Low110 Ų110122.3 Ų122.377%0.76961%0.614SS**THydrogen-bonded Turntrans-169.823.7-17755.60000112.9P41 P45P41-S43 PolarHBondContact O-N 3.27Å; S43-P45 WeakPolarHBondContact O-CD 3.01Å
44Q47.5Very low60.1Low100 Ų100118.4 Ų118.447%0.46758%0.584SS.*  trans-66.8122172.6-66.3-161-82.400109P41 R47P41-Q44 HydrophobicContact CB-CG 3.92Å; P41-Q44 PolarHBondContact O-N 2.88Å; Q44-R47 HydrophobicContact CB-CG 4Å
45P44.4Very low61.8Low116 Ų116109.7 Ų109.775%0.75354%0.543SS*.  trans-63.3139.6179.527.7-34.6000109.5S43 R47S43-P45 WeakPolarHBondContact O-CD 3.01Å; P45-R47 PolarHBondContact O-N 3.33Å
46R56.5Low64Low198 Ų198103.7 Ų103.775%0.74752%0.518SS*.  trans-582.7175.2-69.3-179.5171.3-161.4-9.4113.5D78R46-D78 IonicContact CZ-OD1 3.11Å; R46-D78 IonicContact CZ-OD2 2.75Å; R46-D78 IonicContact NE-OD1 3.07Å; R46-D78 IonicContact NH1-OD1 2.96Å; R46-D78 PolarHBondContact NH1-OD1 2.69Å; R46-D78 IonicContact NH1-OD2 2.69Å; R46-D78 PolarHBondContact NH1-OD2 2.81Å; R46-D78 IonicContact NH2-OD1 2.83Å; R46-D78 PolarHBondContact NH2-OD1 3.01Å; R46-D78 IonicContact NH2-OD2 2.65Å; R46-D78 PolarHBondContact NH2-OD2 3.19Å
47R67.3Low66.2Low154 Ų15495.6 Ų95.658%0.58149%0.492SS*.  trans-71.8136.7-180-53.7-168.975.3-170.9-10.1107.3Q44 P45 I49Q44-R47 HydrophobicContact CB-CG 4Å; P45-R47 PolarHBondContact O-N 3.33Å; R47-I49 WeakPolarHBondContact O-CG2 3.41Å; R47-I49 PolarHBondContact O-N 3.11Å; R47-I49 VanDerWaalsContact O-N 3.07Å
48N74.7Confident68.2Low112 Ų11293.8 Ų93.860%0.59948%0.478SS*.  trans-58.1117.8166.8-176.5-11.3000108V50 Q75N48-V50 WeakPolarHBondContact OD1-CB 3.23Å; N48-V50 WeakPolarHBondContact OD1-CG2 3.38Å; N48-V50 PolarHBondContact OD1-N 2.69Å; N48-Q75 PolarHBondContact OD1-NE2 2.83Å
49I81.8Confident70.4Confident38 Ų3886.9 Ų86.920%0.19545%0.454CS..  trans-101.30.6179.758171.2000112.9R47 C52 V72 Q75 I87R47-I49 WeakPolarHBondContact O-CG2 3.41Å; R47-I49 PolarHBondContact O-N 3.11Å; R47-I49 VanDerWaalsContact O-N 3.07Å; I49-C52 HydrophobicContact CB-CB 4.41Å; I49-C52 WeakPolarHBondContact O-CB 3.23Å; I49-C52 PolarHBondContact O-N 2.96Å; I49-V72 HydrophobicContact CD1-CG2 4.13Å; I49-V72 HydrophobicContact CG1-CG1 4.32Å; I49-V72 HydrophobicContact CG1-CG2 4.25Å; I49-V72 VanDerWaalsContact O-CB 3.31Å; I49-V72 WeakPolarHBondContact O-CB 3.33Å; I49-Q75 HydrophobicContact CG1-CG 4.22Å; I49-I87 HydrophobicContact CG2-CD1 3.7Å
50V84.5Confident72.8Confident25 Ų2590.6 Ų90.615%0.15246%0.456CS..THydrogen-bonded Turntrans-59.1141.4172.3-172.10000109.4N48 C52 V72 L73 Q75 T133N48-V50 WeakPolarHBondContact OD1-CB 3.23Å; N48-V50 WeakPolarHBondContact OD1-CG2 3.38Å; N48-V50 PolarHBondContact OD1-N 2.69Å; V50-C52 PolarHBondContact O-N 2.85Å; V50-C52 VanDerWaalsContact O-N 3.12Å; V50-V72 HydrophobicContact CG2-CG1 4.31Å; V50-L73 WeakPolarHBondContact CG1-O 3.47Å; V50-Q75 HydrophobicContact CG2-CB 4.23Å; V50-Q75 HydrophobicContact CG2-CG 3.82Å; V50-T133 HydrophobicContact CB-CG2 4.14Å; V50-T133 HydrophobicContact CG1-CG2 3.67Å
51G85.4Confident74.8Confident32 Ų3283.4 Ų83.433%0.3345%0.448SS..THydrogen-bonded Turntrans74.6-16.3-170.500000114.4T71 V72 T133G51-T71 WeakPolarHBondContact O-CG2 3.31Å; G51-V72 PolarHBondContact N-O 2.78Å; G51-T133 WeakPolarHBondContact CA-OG1 3.38Å; G51-T133 PolarHBondContact N-OG1 2.76Å
52C87.1Confident77.3Confident40 Ų4086.3 Ų86.327%0.2746%0.459SS..  trans-71.5139.7180-64.80000111.3I49 V50 T71 V72 I87I49-C52 HydrophobicContact CB-CB 4.41Å; I49-C52 WeakPolarHBondContact O-CB 3.23Å; I49-C52 PolarHBondContact O-N 2.96Å; V50-C52 PolarHBondContact O-N 2.85Å; V50-C52 VanDerWaalsContact O-N 3.12Å; C52-T71 WeakPolarHBondContact O-CA 3.27Å; C52-V72 PolarHBondContact O-N 2.59Å; C52-I87 HydrophobicContact CB-CG2 4.2Å
53R90.7Very high79.4Confident90 Ų9088.3 Ų88.334%0.3446%0.458SS..EExtended strand (participates in β ladder)trans-85.1126.5176.9-75.8-85.3-66.1170.9-5.5110T71 M88 E90R53-T71 WeakPolarHBondContact CD-OG1 3.47Å; R53-M88 PolarHBondContact O-N 2.95Å; R53-E90 VanDerWaalsContact CB-CD 3.47Å; R53-E90 HydrophobicContact CB-CG 3.98Å; R53-E90 VanDerWaalsContact CB-OE1 3.27Å; R53-E90 WeakPolarHBondContact CB-OE1 3.14Å; R53-E90 VanDerWaalsContact CG-CD 3.49Å; R53-E90 HydrophobicContact CG-CG 4.43Å; R53-E90 WeakPolarHBondContact CG-OE1 3.31Å; R53-E90 WeakPolarHBondContact CG-OE2 3.1Å; R53-E90 IonicContact CZ-OE1 3.59Å; R53-E90 IonicContact NE-OE1 2.81Å; R53-E90 PolarHBondContact NE-OE1 2.81Å; R53-E90 IonicContact NE-OE2 3.78Å; R53-E90 IonicContact NH2-OE1 3.48Å; R53-E90 PolarHBondContact NH2-OE1 3.01Å
54I89.7Confident81.6Confident26 Ų2687.6 Ų87.613%0.13345%0.451CS..EExtended strand (participates in β ladder)trans-124.9157.1-166.656.3163.1000111.3K69 G70 V72 L85 R86I54-K69 WeakPolarHBondContact O-CA 3.46Å; I54-G70 WeakPolarHBondContact CG1-O 3.44Å; I54-G70 PolarHBondContact N-O 3.47Å; I54-G70 PolarHBondContact O-N 2.94Å; I54-V72 HydrophobicContact CD1-CG2 3.95Å; I54-V72 HydrophobicContact CG1-CG2 4.4Å; I54-V72 HydrophobicContact CG2-CG2 3.82Å; I54-L85 HydrophobicContact CB-CD1 4.22Å; I54-L85 HydrophobicContact CB-CD2 4.48Å; I54-L85 HydrophobicContact CB-CG 4.22Å; I54-L85 HydrophobicContact CD1-CD1 3.72Å; I54-L85 HydrophobicContact CG2-CD1 4.11Å; I54-L85 HydrophobicContact CG2-CD2 3.84Å; I54-L85 HydrophobicContact CG2-CG 4.1Å; I54-R86 WeakPolarHBondContact CA-O 3.49Å
55S90.4Very high83.6Confident1 Ų188.8 Ų88.81%0.00746%0.459CS..EExtended strand (participates in β ladder)trans-132.4145.6158.519.40000110.6W68 R86S55-W68 CarbonylContact C-O 3.59Å; S55-W68 WeakPolarHBondContact CA-O 3.33Å; S55-W68 WeakPolarHBondContact CB-O 3.39Å; S55-R86 PolarHBondContact N-O 2.82Å; S55-R86 PolarHBondContact O-N 2.73Å; S55-R86 WeakPolarHBondContact OG-CG 3.2Å; S55-R86 VanDerWaalsContact OG-CZ 3.27Å; S55-R86 PolarHBondContact OG-NE 2.84Å; S55-R86 PolarHBondContact OG-NH2 2.92Å; S55-R86 VanDerWaalsContact OG-NH2 3.13Å
56H87Confident85.9Confident62 Ų6286.2 Ų86.229%0.28744%0.442SS..EExtended strand (participates in β ladder)trans-136.7142.3-170.1173.351.2000109.9W58 W68 D84H56-W58 AromaticContact NE2-CE3 3.88Å; H56-W68 PolarHBondContact N-O 2.88Å; H56-W68 PolarHBondContact O-N 3.49Å; H56-D84 WeakPolarHBondContact CA-O 3.3Å; H56-D84 PolarHBondContact ND1-O 3.46Å
57G89.8Confident87.6Confident31 Ų3182.6 Ų82.632%0.3243%0.433SS..EExtended strand (participates in β ladder)trans-94.7115.3172.100000110.7I65 T66 D84G57-I65 VanDerWaalsContact CA-CG2 3.5Å; G57-T66 CarbonylContact C-O 3.58Å; G57-T66 WeakPolarHBondContact CA-O 3.33Å; G57-D84 PolarHBondContact N-O 2.96Å
58W88Confident88.8Confident134 Ų13482.8 Ų82.851%0.50843%0.434SS..EExtended strand (participates in β ladder)trans-104.5129.9175.8179.8-96.2000110.4H56 T66H56-W58 AromaticContact NE2-CE3 3.88Å; W58-T66 PolarHBondContact N-O 2.92Å; W58-T66 PolarHBondContact O-N 2.98Å; W58-T66 PolarHBondContact O-OG1 2.86Å
59K89.8Confident89.7Confident99 Ų9983.9 Ų83.943%0.4343%0.433SS..  trans-123.2133.4175.2-160.1-151.2178.1-154.60109G61 D62 E63 I65K59-G61 WeakPolarHBondContact CD-O 3.31Å; K59-G61 WeakPolarHBondContact CE-O 3.35Å; K59-G61 PolarHBondContact NZ-O 3.25Å; K59-D62 IonicContact NZ-OD1 2.86Å; K59-D62 PolarHBondContact NZ-OD1 2.8Å; K59-E63 WeakPolarHBondContact CE-O 3.45Å; K59-E63 WeakPolarHBondContact CG-O 3.37Å; K59-I65 HydrophobicContact CB-CG1 4.23Å; K59-I65 HydrophobicContact CG-CG1 4.24Å
60E91.6Very high90.1Very high140 Ų14083.2 Ų83.265%0.65444%0.436SS*.  trans-117.4118.7176.1-173.2154.9-142.400109.3D62 E63E60-D62 PolarHBondContact O-N 2.9Å; E60-D62 VanDerWaalsContact O-N 3.14Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.34Å; E60-E63 VanDerWaalsContact O-N 3.09Å
61G90.2Very high90.3Very high64 Ų6484.8 Ų84.866%0.6645%0.446SS*.THydrogen-bonded Turntrans54.8-118.5-173.700000112.4K59K59-G61 WeakPolarHBondContact CD-O 3.31Å; K59-G61 WeakPolarHBondContact CE-O 3.35Å; K59-G61 PolarHBondContact NZ-O 3.25Å
62D92.8Very high90.5Very high153 Ų15384.2 Ų84.282%0.81844%0.436SS*.THydrogen-bonded Turntrans-106.77.7177.9-79.3-43.4000116.1K59 E60K59-D62 IonicContact NZ-OD1 2.86Å; K59-D62 PolarHBondContact NZ-OD1 2.8Å; E60-D62 PolarHBondContact O-N 2.9Å; E60-D62 VanDerWaalsContact O-N 3.14Å
63E92.3Very high90.6Very high129 Ų12984.3 Ų84.360%0.60343%0.434SS*.SBendtrans-62.1156.5173.2-69-59.813300112.7K59 E60K59-E63 WeakPolarHBondContact CE-O 3.45Å; K59-E63 WeakPolarHBondContact CG-O 3.37Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.34Å; E60-E63 VanDerWaalsContact O-N 3.09Å
64P91.9Very high90.2Very high96 Ų9683.6 Ų83.662%0.62344%0.437SS*.  trans-63.9151.3174.427.9-35.2000111.9T66P64-T66 PolarHBondContact O-N 2.89Å
65I89.9Confident89.6Confident124 Ų12486.9 Ų86.964%0.63645%0.451SS*.  trans-65.3112.4-179.5-54.4178.8000110.1G57 K59G57-I65 VanDerWaalsContact CA-CG2 3.5Å; K59-I65 HydrophobicContact CB-CG1 4.23Å; K59-I65 HydrophobicContact CG-CG1 4.24Å
66T92.9Very high88.4Confident63 Ų6394 Ų9439%0.38749%0.488SS..EExtended strand (participates in β ladder)trans-79.5144.2172.762.10000110.1G57 W58 P64 W68G57-T66 CarbonylContact C-O 3.58Å; G57-T66 WeakPolarHBondContact CA-O 3.33Å; W58-T66 PolarHBondContact N-O 2.92Å; W58-T66 PolarHBondContact O-N 2.98Å; W58-T66 PolarHBondContact O-OG1 2.86Å; P64-T66 PolarHBondContact O-N 2.89Å; T66-W68 PolarHBondContact OG1-NE1 3.19Å
67Q91.7Very high86.9Confident121 Ų12198.2 Ų98.257%0.56551%0.513SS*.EExtended strand (participates in β ladder)trans-114.8109.1-172.3-173-166.3-114.400112.4
68W93Very high85.5Confident159 Ų159101.6 Ų101.660%0.60252%0.523SS*.EExtended strand (participates in β ladder)trans-96.2158.3-178.2-60.583.5000111.8S55 H56 T66S55-W68 CarbonylContact C-O 3.59Å; S55-W68 WeakPolarHBondContact CA-O 3.33Å; S55-W68 WeakPolarHBondContact CB-O 3.39Å; H56-W68 PolarHBondContact N-O 2.88Å; H56-W68 PolarHBondContact O-N 3.49Å; T66-W68 PolarHBondContact OG1-NE1 3.19Å
69K92.4Very high84Confident134 Ų134101.6 Ų101.658%0.58353%0.533SS*.EExtended strand (participates in β ladder)trans-130.7140.8172.8-75179.1177.9178.40108.9I54I54-K69 WeakPolarHBondContact O-CA 3.46Å
70G90.8Very high82.8Confident25 Ų25101.8 Ų101.826%0.25853%0.532SS..EExtended strand (participates in β ladder)trans-158.5-170.2-179.200000112.5I54I54-G70 WeakPolarHBondContact CG1-O 3.44Å; I54-G70 PolarHBondContact N-O 3.47Å; I54-G70 PolarHBondContact O-N 2.94Å
71T89.9Confident81.3Confident57 Ų57102.4 Ų102.435%0.3553%0.532SS..EExtended strand (participates in β ladder)trans-129136.7170.4-50.50000106.6G51 C52 R53 L73G51-T71 WeakPolarHBondContact O-CG2 3.31Å; C52-T71 WeakPolarHBondContact O-CA 3.27Å; R53-T71 WeakPolarHBondContact CD-OG1 3.47Å; T71-L73 HydrophobicContact CG2-CD2 4.22Å; T71-L73 PolarHBondContact O-N 3.24Å
72V88.4Confident79.8Confident20 Ų20107.9 Ų107.912%0.12154%0.541CS..  trans-73.3126.6170.8-176.60000108I49 V50 G51 C52 I54 D74 Q75I49-V72 HydrophobicContact CD1-CG2 4.13Å; I49-V72 HydrophobicContact CG1-CG1 4.32Å; I49-V72 HydrophobicContact CG1-CG2 4.25Å; I49-V72 VanDerWaalsContact O-CB 3.31Å; I49-V72 WeakPolarHBondContact O-CB 3.33Å; V50-V72 HydrophobicContact CG2-CG1 4.31Å; G51-V72 PolarHBondContact N-O 2.78Å; C52-V72 PolarHBondContact O-N 2.59Å; I54-V72 HydrophobicContact CD1-CG2 3.95Å; I54-V72 HydrophobicContact CG1-CG2 4.4Å; I54-V72 HydrophobicContact CG2-CG2 3.82Å; V72-D74 WeakPolarHBondContact CG1-O 3.22Å; V72-Q75 HydrophobicContact CG1-CG 4.48Å
73L88.6Confident78.5Confident43 Ų43103.4 Ų103.423%0.22553%0.531CS..  trans-106.7-21.9-176.3-57.4178.6000113.1V50 T71 V131 V137 F139 V150V50-L73 WeakPolarHBondContact CG1-O 3.47Å; T71-L73 HydrophobicContact CG2-CD2 4.22Å; T71-L73 PolarHBondContact O-N 3.24Å; L73-V131 HydrophobicContact CB-CG1 4.26Å; L73-V131 HydrophobicContact CB-CG2 4.08Å; L73-V131 HydrophobicContact CD2-CG1 4.21Å; L73-V131 WeakPolarHBondContact O-CG1 3.45Å; L73-V137 HydrophobicContact CD1-CG1 4.32Å; L73-F139 HydrophobicContact CB-CE1 4.16Å; L73-F139 HydrophobicContact CB-CZ 4.02Å; L73-F139 HydrophobicContact CD1-CE1 4.07Å; L73-V150 HydrophobicContact CD1-CB 4.45Å; L73-V150 HydrophobicContact CD1-CG1 3.5Å; L73-V150 HydrophobicContact CD1-CG2 4.14Å
74D84.1Confident77.5Confident75 Ų75101.6 Ų101.640%0.40153%0.525SS..  trans-156.8166.8175.2-169.712.8000109.1V72V72-D74 WeakPolarHBondContact CG1-O 3.22Å
75Q76.8Confident76.6Confident94 Ų9498.9 Ų98.944%0.43951%0.505SS..  trans-122.895.8175.3-86.8-179.9104.400111.3N48 I49 V50 V72N48-Q75 PolarHBondContact OD1-NE2 2.83Å; I49-Q75 HydrophobicContact CG1-CG 4.22Å; V50-Q75 HydrophobicContact CG2-CB 4.23Å; V50-Q75 HydrophobicContact CG2-CG 3.82Å; V72-Q75 HydrophobicContact CG1-CG 4.48Å
76L64.3Low76.2Confident150 Ų15098.7 Ų98.779%0.78550%0.497SS*.  trans-104.1104.4174-68.8166.6000110.1
77L55.7Low75.6Confident152 Ų15299.8 Ų99.880%0.79650%0.499SS*.  trans65.1153.7178.1-64.1167.7000116.7D79L77-D79 PolarHBondContact O-N 3.26Å
78D59.9Low75Confident102 Ų10296.9 Ų96.955%0.54549%0.487SS..SBendtrans-82.321.6-172.5-70.3-60.5000114.2R46 Y80R46-D78 IonicContact CZ-OD1 3.11Å; R46-D78 IonicContact CZ-OD2 2.75Å; R46-D78 IonicContact NE-OD1 3.07Å; R46-D78 IonicContact NH1-OD1 2.96Å; R46-D78 PolarHBondContact NH1-OD1 2.69Å; R46-D78 IonicContact NH1-OD2 2.69Å; R46-D78 PolarHBondContact NH1-OD2 2.81Å; R46-D78 IonicContact NH2-OD1 2.83Å; R46-D78 PolarHBondContact NH2-OD1 3.01Å; R46-D78 IonicContact NH2-OD2 2.65Å; R46-D78 PolarHBondContact NH2-OD2 3.19Å; D78-Y80 PolarHBondContact O-N 3.5Å
79D57Low73.9Confident134 Ų13495.6 Ų95.672%0.71750%0.498SS*.  trans-72.28.5-165.7-66.4-40.4000115.3L77L77-D79 PolarHBondContact O-N 3.26Å
80Y64.9Low72.1Confident102 Ų10293.9 Ų93.940%0.449%0.493SS..  trans-68.4130.9-179.2171.3-117.6000113.3D78 G83 L85D78-Y80 PolarHBondContact O-N 3.5Å; Y80-G83 PolarHBondContact OH-N 3.12Å; Y80-L85 HydrophobicContact CD2-CB 4.16Å; Y80-L85 HydrophobicContact CE2-CB 3.36Å; Y80-L85 PolarHBondContact OH-N 2.86Å; Y80-L85 PolarHBondContact OH-O 2.81Å
81K60.4Low70.1Confident153 Ų15398.5 Ų98.567%0.66552%0.521SS*.  trans-90.5113.6171.6-59-168.3-168.2-50.40110.7G83 D84K81-G83 PolarHBondContact O-N 2.95Å; K81-D84 PolarHBondContact O-N 3.07Å
82E58.5Low68.2Low180 Ų180100.8 Ų100.884%0.84154%0.539SS*.THydrogen-bonded Turntrans-54.699.6-179.5-175.768.3-91.100112.6
83G64.8Low66.3Low59 Ų59108.8 Ų108.861%0.60858%0.575SS**THydrogen-bonded Turntrans149.3-35177.200000113.8Y80 K81Y80-G83 PolarHBondContact OH-N 3.12Å; K81-G83 PolarHBondContact O-N 2.95Å
84D70.9Confident64.1Low90 Ų90111.2 Ų111.248%0.48160%0.596SS.*SBendtrans-85.5-11.1-166.2-62.4-35.1000114.5H56 G57 K81H56-D84 WeakPolarHBondContact CA-O 3.3Å; H56-D84 PolarHBondContact ND1-O 3.46Å; G57-D84 PolarHBondContact N-O 2.96Å; K81-D84 PolarHBondContact O-N 3.07Å
85L74.6Confident62.5Low39 Ų39112.6 Ų112.620%0.20461%0.609CS.*EExtended strand (participates in β ladder)trans-123.3121.8-179.7-177.7140000110.1I54 Y80 I87I54-L85 HydrophobicContact CB-CD1 4.22Å; I54-L85 HydrophobicContact CB-CD2 4.48Å; I54-L85 HydrophobicContact CB-CG 4.22Å; I54-L85 HydrophobicContact CD1-CD1 3.72Å; I54-L85 HydrophobicContact CG2-CD1 4.11Å; I54-L85 HydrophobicContact CG2-CD2 3.84Å; I54-L85 HydrophobicContact CG2-CG 4.1Å; Y80-L85 HydrophobicContact CD2-CB 4.16Å; Y80-L85 HydrophobicContact CE2-CB 3.36Å; Y80-L85 PolarHBondContact OH-N 2.86Å; Y80-L85 PolarHBondContact OH-O 2.81Å; L85-I87 HydrophobicContact CD2-CG1 4.28Å
86R80.3Confident61.1Low120 Ų120113.3 Ų113.345%0.45362%0.621SS.*EExtended strand (participates in β ladder)trans-109.3123172.771.9-171.2-171.2-124-2.8110.2I54 S55 M88I54-R86 WeakPolarHBondContact CA-O 3.49Å; S55-R86 PolarHBondContact N-O 2.82Å; S55-R86 PolarHBondContact O-N 2.73Å; S55-R86 WeakPolarHBondContact OG-CG 3.2Å; S55-R86 VanDerWaalsContact OG-CZ 3.27Å; S55-R86 PolarHBondContact OG-NE 2.84Å; S55-R86 PolarHBondContact OG-NH2 2.92Å; S55-R86 VanDerWaalsContact OG-NH2 3.13Å; R86-M88 PolarHBondContact O-N 2.95Å
87I80.7Confident60.1Low86 Ų86110.4 Ų110.444%0.44161%0.61SS.*EExtended strand (participates in β ladder)trans-69125.8167.3-57.2170.4000107.4I49 C52 L85I49-I87 HydrophobicContact CG2-CD1 3.7Å; C52-I87 HydrophobicContact CB-CG2 4.2Å; L85-I87 HydrophobicContact CD2-CG1 4.28Å
88M79.5Confident59.8Low61 Ų61112.6 Ų112.630%0.362%0.617SS.*  trans-80.9131.4172.1-71.7-170.354.900109.2R53 R86 E90R53-M88 PolarHBondContact O-N 2.95Å; R86-M88 PolarHBondContact O-N 2.95Å; M88-E90 VanDerWaalsContact C-N 3.31Å; M88-E90 HydrophobicContact CB-CG 4.47Å; M88-E90 PolarHBondContact O-N 2.86Å
89P68.4Low59.8Low131 Ų131117.7 Ų117.785%0.85163%0.628SS**  trans-74.587.1173.531.1-33.3000109.1
90E55.8Low59.4Low99 Ų99119 Ų11946%0.46363%0.63SS.*  trans-79148.7170.1-62.6-159.6177.800110.3R53 M88 S92R53-E90 VanDerWaalsContact CB-CD 3.47Å; R53-E90 HydrophobicContact CB-CG 3.98Å; R53-E90 VanDerWaalsContact CB-OE1 3.27Å; R53-E90 WeakPolarHBondContact CB-OE1 3.14Å; R53-E90 VanDerWaalsContact CG-CD 3.49Å; R53-E90 HydrophobicContact CG-CG 4.43Å; R53-E90 WeakPolarHBondContact CG-OE1 3.31Å; R53-E90 WeakPolarHBondContact CG-OE2 3.1Å; R53-E90 IonicContact CZ-OE1 3.59Å; R53-E90 IonicContact NE-OE1 2.81Å; R53-E90 PolarHBondContact NE-OE1 2.81Å; R53-E90 IonicContact NE-OE2 3.78Å; R53-E90 IonicContact NH2-OE1 3.48Å; R53-E90 PolarHBondContact NH2-OE1 3.01Å; M88-E90 VanDerWaalsContact C-N 3.31Å; M88-E90 HydrophobicContact CB-CG 4.47Å; M88-E90 PolarHBondContact O-N 2.86Å; E90-S92 PolarHBondContact O-N 3.48Å; E90-S92 VanDerWaalsContact O-N 3.12Å
91S48.2Very low58.7Low121 Ų121120.7 Ų120.785%0.84665%0.654SS**  trans-65109.5175.447.30000108.9E93S91-E93 PolarHBondContact O-N 2.99Å
92S50.8Low58.3Low105 Ų105116.4 Ų116.473%0.73465%0.652SS**  trans-61.9107.5-170.558.10000112.4E90E90-S92 PolarHBondContact O-N 3.48Å; E90-S92 VanDerWaalsContact O-N 3.12Å
93E49.1Very low58Low188 Ų188110.4 Ų110.488%0.87964%0.639SS**PPolyproline II helixtrans-56145.9133.1-161.2166.113000107.8S91S91-E93 PolarHBondContact O-N 2.99Å
94S41.2Very low57.4Low95 Ų95114.2 Ų114.266%0.66465%0.65SS**PPolyproline II helixtrans-51147.8-160.8-58.40000113.8
95P50Low56.9Low104 Ų104114.2 Ų114.268%0.67565%0.653SS**PPolyproline II helixtrans-52139163.926.3-34.5000108.4T97P95-T97 PolarHBondContact O-N 3.03Å
96P48.2Very low56.5Low108 Ų108116 Ų11670%0.70166%0.663SS**PPolyproline II helixtrans-55.7118-177.522.5-32.5000108.2E98P96-E98 PolarHBondContact O-N 3.12Å
97T43.6Very low56.6Low90 Ų90112.4 Ų112.455%0.55266%0.663SS**PPolyproline II helixtrans-56130.6175.4-51.50000107.7P95 R99P95-T97 PolarHBondContact O-N 3.03Å; T97-R99 HydrophobicContact CG2-CG 4.36Å; T97-R99 WeakPolarHBondContact O-CG 3.29Å; T97-R99 PolarHBondContact O-N 2.88Å
98E48.3Very low57.1Low198 Ų198110.5 Ų110.593%0.92565%0.654SS**  trans-53.5107.8168.5-69.4176.2105.400107.4P96P96-E98 PolarHBondContact O-N 3.12Å
99R59.8Low57.7Low209 Ų209111 Ų11179%0.78966%0.656SS**  trans-121.3131.5-174.3-85.2176.5176.9170.41.8108.1T97T97-R99 HydrophobicContact CG2-CG 4.36Å; T97-R99 WeakPolarHBondContact O-CG 3.29Å; T97-R99 PolarHBondContact O-N 2.88Å
100E48.7Very low58.9Low160 Ų160106.8 Ų106.875%0.74864%0.637SS**  trans-40142.9176.6-68.2-72.498.400112.5G102 G103E100-G102 PolarHBondContact O-N 3.06Å; E100-G103 PolarHBondContact O-N 2.84Å; E100-G103 VanDerWaalsContact O-N 3.14Å
101P50.8Low60.8Low139 Ų139107.3 Ų107.390%0.90364%0.638SS**THydrogen-bonded Turntrans-6817.6178.230.9-37000114.2
102G52.3Low63Low62 Ų62108.2 Ų108.264%0.63963%0.629SS**THydrogen-bonded Turntrans-11011.8171.700000113.9E100 V104E100-G102 PolarHBondContact O-N 3.06Å; G102-V104 PolarHBondContact O-N 2.63Å; G102-V104 VanDerWaalsContact O-N 3.17Å
103G52.2Low65.1Low54 Ų54105.1 Ų105.156%0.55761%0.605SS**SBendtrans-56.1118.4166.700000109.6E100 V105E100-G103 PolarHBondContact O-N 2.84Å; E100-G103 VanDerWaalsContact O-N 3.14Å; G103-V105 PolarHBondContact O-N 3.49Å
104V52.1Low67.3Low139 Ų139101.2 Ų101.284%0.84259%0.587SS**  trans-56.6102.7-166.8-177.80000110.8G102 D106G102-V104 PolarHBondContact O-N 2.63Å; G102-V104 VanDerWaalsContact O-N 3.17Å; V104-D106 PolarHBondContact O-N 2.65Å
105V59.5Low69.7Low90 Ų90101.7 Ų101.755%0.54558%0.575SS.*  trans-56.2120.2167.8-175.90000106.2G103 G107 I109G103-V105 PolarHBondContact O-N 3.49Å; V105-G107 PolarHBondContact O-N 2.75Å; V105-G107 VanDerWaalsContact O-N 3.16Å; V105-I109 HydrophobicContact CG1-CG1 3.93Å
106D67.8Low71.8Confident78 Ų78100 Ų10042%0.41756%0.562SS.*  trans-62.9125.5176-170.7-1.7000106.3V104 L108 Y138V104-D106 PolarHBondContact O-N 2.65Å; D106-L108 HydrophobicContact CB-CG 4.48Å; D106-L108 PolarHBondContact O-N 2.89Å; D106-Y138 WeakPolarHBondContact CB-OH 3.15Å; D106-Y138 PolarHBondContact OD2-OH 3.04Å; D106-Y138 VanDerWaalsContact OD2-OH 3.11Å
107G82.5Confident73.8Confident44 Ų4498.4 Ų98.445%0.45455%0.545SS..THydrogen-bonded Turntrans-72.631.1-164.200000113.7V105 K111V105-G107 PolarHBondContact O-N 2.75Å; V105-G107 VanDerWaalsContact O-N 3.16Å; G107-K111 WeakPolarHBondContact O-CD 3.32Å; G107-K111 WeakPolarHBondContact O-CE 3.45Å; G107-K111 PolarHBondContact O-NZ 2.82Å
108L89.8Confident76.2Confident46 Ų46103.9 Ų103.924%0.24156%0.564CS.*THydrogen-bonded Turntrans-81.5-26176.6-55.5-175.7000112.1D106 G110 K111 V127 Y138 L153D106-L108 HydrophobicContact CB-CG 4.48Å; D106-L108 PolarHBondContact O-N 2.89Å; L108-G110 PolarHBondContact O-N 2.9Å; L108-K111 HydrophobicContact CD2-CD 4.33Å; L108-K111 VanDerWaalsContact O-CB 3.23Å; L108-K111 WeakPolarHBondContact O-CB 3.28Å; L108-K111 PolarHBondContact O-N 2.74Å; L108-V127 HydrophobicContact CB-CG1 4.48Å; L108-V127 HydrophobicContact CB-CG2 4.39Å; L108-V127 WeakPolarHBondContact O-CB 3.01Å; L108-Y138 HydrophobicContact CB-CE1 4.33Å; L108-Y138 HydrophobicContact CD1-CE1 4.12Å; L108-Y138 HydrophobicContact CD1-CE2 4.2Å; L108-L153 HydrophobicContact CD1-CD1 4.09Å
109I92.9Very high78.4Confident70 Ų7099.6 Ų99.636%0.35955%0.547SS..THydrogen-bonded Turntrans-54.3130.3176.5-52.8-53.7000110.4V105 K111 V127 H129 Q130 Y138V105-I109 HydrophobicContact CG1-CG1 3.93Å; I109-K111 PolarHBondContact O-N 3.23Å; I109-V127 HydrophobicContact CD1-CG1 4.05Å; I109-H129 VanDerWaalsContact CD1-C 3.49Å; I109-Q130 HydrophobicContact CD1-CB 3.95Å; I109-Y138 HydrophobicContact CD1-CD1 4.44Å
110G93.7Very high79.9Confident43 Ų4392 Ų9244%0.44354%0.535SS..THydrogen-bonded Turntrans75.1-4.1-17600000115L108 V127L108-G110 PolarHBondContact O-N 2.9Å; G110-V127 PolarHBondContact N-O 2.56Å
111K95.4Very high82Confident110 Ų11086.5 Ų86.548%0.47851%0.514SS..  trans-77.2143.7170.1-66.2-170.4176.1135.90110.6G107 L108 I109 M126 V127G107-K111 WeakPolarHBondContact O-CD 3.32Å; G107-K111 WeakPolarHBondContact O-CE 3.45Å; G107-K111 PolarHBondContact O-NZ 2.82Å; L108-K111 HydrophobicContact CD2-CD 4.33Å; L108-K111 VanDerWaalsContact O-CB 3.23Å; L108-K111 WeakPolarHBondContact O-CB 3.28Å; L108-K111 PolarHBondContact O-N 2.74Å; I109-K111 PolarHBondContact O-N 3.23Å; K111-M126 WeakPolarHBondContact O-CA 3.34Å; K111-V127 PolarHBondContact O-N 2.92Å; K111-V127 VanDerWaalsContact O-N 3.1Å
112H94.8Very high84.2Confident141 Ų14185.9 Ų85.965%0.65350%0.497SS*.EExtended strand (participates in β ladder)trans-74.8144.1168.3-66.466.3000109.6G125H112-G125 CarbonylContact C-O 2.97Å; H112-G125 VanDerWaalsContact CA-O 3.23Å; H112-G125 WeakPolarHBondContact CA-O 3.42Å
113V94.1Very high86.2Confident40 Ų4084.2 Ų84.224%0.24247%0.471CS..EExtended strand (participates in β ladder)trans-127.7147.2176.5-71.40000109.2I124 G125 V127 I140V113-I124 WeakPolarHBondContact O-CA 3.27Å; V113-G125 WeakPolarHBondContact CG2-O 3.45Å; V113-G125 PolarHBondContact N-O 3.03Å; V113-G125 PolarHBondContact O-N 3.27Å; V113-V127 HydrophobicContact CG1-CG2 3.66Å; V113-V127 HydrophobicContact CG2-CG2 4.49Å; V113-I140 HydrophobicContact CG2-CD1 4.33Å; V113-I140 HydrophobicContact CG2-CG2 3.67Å
114E95.2Very high88.3Confident106 Ų10685.9 Ų85.950%0.49547%0.466SS..EExtended strand (participates in β ladder)trans-118.7128.3176.4-163.3-15179.200108.9K122 R123 I124E114-K122 HydrophobicContact CG-CB 4.1Å; E114-K122 HydrophobicContact CG-CG 4.26Å; E114-K122 WeakPolarHBondContact OE1-CE 3.31Å; E114-K122 IonicContact OE1-NZ 2.81Å; E114-K122 PolarHBondContact OE1-NZ 2.8Å; E114-K122 WeakPolarHBondContact OE2-CD 3.41Å; E114-K122 IonicContact OE2-NZ 3.7Å; E114-K122 PolarHBondContact OE2-NZ 2.94Å; E114-R123 WeakPolarHBondContact CA-O 3.44Å; E114-I124 HydrophobicContact CG-CG1 4.48Å
115Y92.1Very high90.5Very high104 Ų10479.3 Ų79.341%0.40843%0.426SS..EExtended strand (participates in β ladder)trans-115118.3175.4174.6-107.4000109.8K117 K122 R123 F142Y115-K117 HydrophobicContact CD1-CG 4.24Å; Y115-K117 HydrophobicContact CE1-CB 4.4Å; Y115-K117 HydrophobicContact CE1-CG 3.9Å; Y115-K122 CarbonylContact O-C 3.59Å; Y115-K122 WeakPolarHBondContact O-CA 3.26Å; Y115-R123 PolarHBondContact N-O 3.48Å; Y115-R123 PolarHBondContact O-N 2.81Å; Y115-F142 HydrophobicContact CG-CZ 4.32Å
116T94.1Very high92.2Very high68 Ų6878.6 Ų78.642%0.41742%0.418SS..EExtended strand (participates in β ladder)trans-86.1122.9170.3-54.90000109.1S121T116-S121 CarbonylContact C-O 3.52Å; T116-S121 WeakPolarHBondContact CA-O 3.38Å
117K90.7Very high93.6Very high76 Ų7675 Ų7533%0.3340%0.399SS..  trans-76.3171.6174-61.6-173.7-154.8143.10111.5Y115 D119 G120 S121Y115-K117 HydrophobicContact CD1-CG 4.24Å; Y115-K117 HydrophobicContact CE1-CB 4.4Å; Y115-K117 HydrophobicContact CE1-CG 3.9Å; K117-D119 VanDerWaalsContact CB-OD1 3.29Å; K117-D119 WeakPolarHBondContact CB-OD1 3.49Å; K117-D119 IonicContact NZ-OD2 3.85Å; K117-D119 PolarHBondContact O-N 3.33Å; K117-G120 PolarHBondContact O-N 3.02Å; K117-S121 WeakPolarHBondContact CD-OG 3.48Å; K117-S121 WeakPolarHBondContact CE-OG 3.46Å; K117-S121 PolarHBondContact N-O 2.84Å; K117-S121 PolarHBondContact NZ-OG 2.93Å
118E92.6Very high94.2Very high205 Ų20576 Ų7696%0.95839%0.393SS*.THydrogen-bonded Turntrans-60-27.7171.765.3-16816900114.4G120E118-G120 PolarHBondContact O-N 2.76Å
119D94.7Very high94.3Very high107 Ų10777 Ų7757%0.57240%0.397SS*.THydrogen-bonded Turntrans-78.5-0.1174.56615.4000113.7K117 S121K117-D119 VanDerWaalsContact CB-OD1 3.29Å; K117-D119 WeakPolarHBondContact CB-OD1 3.49Å; K117-D119 IonicContact NZ-OD2 3.85Å; K117-D119 PolarHBondContact O-N 3.33Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.07Å; D119-S121 WeakPolarHBondContact OD1-CA 3.42Å; D119-S121 WeakPolarHBondContact OD1-CB 3.5Å; D119-S121 PolarHBondContact OD1-N 2.91Å; D119-S121 PolarHBondContact OD1-OG 2.93Å; D119-S121 PolarHBondContact OD2-OG 2.71Å
120G92.6Very high94.3Very high51 Ų5175.1 Ų75.153%0.52639%0.386SS..SBendtrans78.3-4.9-176.100000115K117 E118K117-G120 PolarHBondContact O-N 3.02Å; E118-G120 PolarHBondContact O-N 2.76Å
121S93.3Very high94.1Very high44 Ų4473.1 Ų73.131%0.30837%0.365SS..  trans-71.1152172.3740000111.4T116 K117 D119T116-S121 CarbonylContact C-O 3.52Å; T116-S121 WeakPolarHBondContact CA-O 3.38Å; K117-S121 WeakPolarHBondContact CD-OG 3.48Å; K117-S121 WeakPolarHBondContact CE-OG 3.46Å; K117-S121 PolarHBondContact N-O 2.84Å; K117-S121 PolarHBondContact NZ-OG 2.93Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.07Å; D119-S121 WeakPolarHBondContact OD1-CA 3.42Å; D119-S121 WeakPolarHBondContact OD1-CB 3.5Å; D119-S121 PolarHBondContact OD1-N 2.91Å; D119-S121 PolarHBondContact OD1-OG 2.93Å; D119-S121 PolarHBondContact OD2-OG 2.71Å
122K95.3Very high93.6Very high125 Ų12576 Ų7654%0.54338%0.381SS..EExtended strand (participates in β ladder)trans-112.5131.7-177.2-72.2158.6168.2-100.90110.2E114 Y115E114-K122 HydrophobicContact CG-CB 4.1Å; E114-K122 HydrophobicContact CG-CG 4.26Å; E114-K122 WeakPolarHBondContact OE1-CE 3.31Å; E114-K122 IonicContact OE1-NZ 2.81Å; E114-K122 PolarHBondContact OE1-NZ 2.8Å; E114-K122 WeakPolarHBondContact OE2-CD 3.41Å; E114-K122 IonicContact OE2-NZ 3.7Å; E114-K122 PolarHBondContact OE2-NZ 2.94Å; Y115-K122 CarbonylContact O-C 3.59Å; Y115-K122 WeakPolarHBondContact O-CA 3.26Å
123R95.2Very high93Very high27 Ų2771.9 Ų71.910%0.10237%0.365CS..EExtended strand (participates in β ladder)trans-101.8137.7166.5-57.7-179.675.7-178.33.8108.9E114 Y115 F142 D144 D145 Y149E114-R123 WeakPolarHBondContact CA-O 3.44Å; Y115-R123 PolarHBondContact N-O 3.48Å; Y115-R123 PolarHBondContact O-N 2.81Å; R123-F142 HydrophobicContact CB-CD1 3.78Å; R123-F142 HydrophobicContact CB-CE1 4.17Å; R123-F142 HydrophobicContact CB-CG 4.28Å; R123-D144 IonicContact CZ-OD1 3.17Å; R123-D144 IonicContact CZ-OD2 3.59Å; R123-D144 VanDerWaalsContact NE-CG 3.27Å; R123-D144 IonicContact NE-OD1 2.8Å; R123-D144 PolarHBondContact NE-OD1 2.99Å; R123-D144 IonicContact NE-OD2 2.93Å; R123-D144 PolarHBondContact NE-OD2 2.84Å; R123-D144 IonicContact NH2-OD1 2.71Å; R123-D144 PolarHBondContact NH2-OD1 3.1Å; R123-D144 IonicContact NH2-OD2 3.54Å; R123-D145 IonicContact CZ-OD2 3.7Å; R123-D145 IonicContact NH1-OD2 3.74Å; R123-D145 IonicContact NH2-OD1 3.9Å; R123-D145 IonicContact NH2-OD2 2.76Å; R123-D145 PolarHBondContact NH2-OD2 2.88Å; R123-Y149 PolarHBondContact NH1-OH 3.07Å
124I96.7Very high92.7Very high90 Ų9074.1 Ų74.146%0.46237%0.372SS..EExtended strand (participates in β ladder)trans-102.9146.2169.5-60.1175.5000108.1V113 E114 F142 D143V113-I124 WeakPolarHBondContact O-CA 3.27Å; E114-I124 HydrophobicContact CG-CG1 4.48Å; I124-F142 WeakPolarHBondContact O-CA 3.14Å; I124-D143 PolarHBondContact O-N 3.03Å
125G96.6Very high92.4Very high0 Ų072.6 Ų72.60%037%0.371CS..EExtended strand (participates in β ladder)trans-161-177.6175.400000112H112 V113 K141H112-G125 CarbonylContact C-O 2.97Å; H112-G125 VanDerWaalsContact CA-O 3.23Å; H112-G125 WeakPolarHBondContact CA-O 3.42Å; V113-G125 WeakPolarHBondContact CG2-O 3.45Å; V113-G125 PolarHBondContact N-O 3.03Å; V113-G125 PolarHBondContact O-N 3.27Å; G125-K141 CarbonylContact C-O 3.6Å; G125-K141 WeakPolarHBondContact CA-O 3.17Å
126M96.9Very high92.2Very high76 Ų7669.6 Ų69.637%0.37437%0.365SS..EExtended strand (participates in β ladder)trans-126.1142-179.7-179168.854.700111.1K111 I128 I140 K141K111-M126 WeakPolarHBondContact O-CA 3.34Å; M126-I128 HydrophobicContact CE-CG2 4.21Å; M126-I128 HydrophobicContact CG-CG2 4.43Å; M126-I128 PolarHBondContact O-N 2.85Å; M126-I140 WeakPolarHBondContact O-CA 3.42Å; M126-K141 PolarHBondContact N-O 3Å; M126-K141 PolarHBondContact O-N 2.93Å
127V96.1Very high92.1Very high1 Ų166.8 Ų66.81%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-77.7118.8169.7-168.50000108.9L108 I109 G110 K111 V113 Y138 I140L108-V127 HydrophobicContact CB-CG1 4.48Å; L108-V127 HydrophobicContact CB-CG2 4.39Å; L108-V127 WeakPolarHBondContact O-CB 3.01Å; I109-V127 HydrophobicContact CD1-CG1 4.05Å; G110-V127 PolarHBondContact N-O 2.56Å; K111-V127 PolarHBondContact O-N 2.92Å; K111-V127 VanDerWaalsContact O-N 3.1Å; V113-V127 HydrophobicContact CG1-CG2 3.66Å; V113-V127 HydrophobicContact CG2-CG2 4.49Å; V127-Y138 HydrophobicContact CG1-CD1 3.73Å; V127-Y138 HydrophobicContact CG1-CG 4.15Å; V127-I140 HydrophobicContact CG2-CG1 4.35Å
128I95.3Very high92.3Very high67 Ų6763.3 Ų63.334%0.34433%0.333SS..EExtended strand (participates in β ladder)trans-108-19.9-171.758.9165.6000114.1M126 F139 K141 I148M126-I128 HydrophobicContact CE-CG2 4.21Å; M126-I128 HydrophobicContact CG-CG2 4.43Å; M126-I128 PolarHBondContact O-N 2.85Å; I128-F139 HydrophobicContact CD1-CB 4.37Å; I128-F139 HydrophobicContact CG1-CB 3.89Å; I128-F139 WeakPolarHBondContact CG1-O 3.36Å; I128-F139 PolarHBondContact N-O 3.45Å; I128-K141 HydrophobicContact CD1-CB 4.29Å; I128-K141 HydrophobicContact CG2-CB 4.15Å; I128-I148 HydrophobicContact CD1-CD1 3.99Å; I128-I148 HydrophobicContact CD1-CG1 4.08Å; I128-I148 HydrophobicContact CD1-CG2 4.15Å
129H92.6Very high92.4Very high67 Ų6755 Ų5531%0.3129%0.293SS..EExtended strand (participates in β ladder)trans-157.2155.2179.8-169.576.8000111.7I109 Y138 F139I109-H129 VanDerWaalsContact CD1-C 3.49Å; H129-Y138 VanDerWaalsContact O-CA 3.31Å; H129-Y138 WeakPolarHBondContact O-CA 3.37Å; H129-F139 HydrophobicContact CB-CB 3.94Å; H129-F139 HydrophobicContact CB-CD2 3.63Å; H129-F139 HydrophobicContact CB-CE2 4.41Å; H129-F139 HydrophobicContact CB-CG 4.03Å; H129-F139 AromaticContact CD2-CD2 3.72Å; H129-F139 AromaticContact CD2-CE2 3.64Å; H129-F139 AromaticContact CG-CD2 3.96Å; H129-F139 PolarHBondContact O-N 2.91Å
130Q91.8Very high92.5Very high30 Ų3050.2 Ų50.214%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-123.3127.7173.4177.2176.533.900107.7I109 E132 P135 Y138I109-Q130 HydrophobicContact CD1-CB 3.95Å; Q130-E132 PolarHBondContact O-N 2.79Å; Q130-P135 HydrophobicContact CG-CB 4.5Å; Q130-P135 PolarHBondContact NE2-O 3.36Å; Q130-Y138 HydrophobicContact CB-CD1 3.77Å; Q130-Y138 HydrophobicContact CB-CE1 3.68Å; Q130-Y138 HydrophobicContact CG-CD1 4.02Å; Q130-Y138 HydrophobicContact CG-CE1 3.56Å; Q130-Y138 PolarHBondContact NE2-OH 3.05Å
131V89.3Confident92.7Very high0 Ų050 Ų500%025%0.252CS..  trans-74.7115.2-174.1175.40000110.5L73 T133 K134 V137 F139L73-V131 HydrophobicContact CB-CG1 4.26Å; L73-V131 HydrophobicContact CB-CG2 4.08Å; L73-V131 HydrophobicContact CD2-CG1 4.21Å; L73-V131 WeakPolarHBondContact O-CG1 3.45Å; V131-T133 VanDerWaalsContact C-N 3.33Å; V131-T133 PolarHBondContact O-N 2.92Å; V131-K134 CarbonylContact O-C 3.56Å; V131-K134 PolarHBondContact O-N 3Å; V131-K134 VanDerWaalsContact O-O 3.13Å; V131-V137 HydrophobicContact CB-CB 4.25Å; V131-V137 HydrophobicContact CB-CG1 4.41Å; V131-V137 HydrophobicContact CG2-CB 4.17Å; V131-V137 HydrophobicContact CG2-CG1 3.8Å; V131-V137 PolarHBondContact N-O 3.32Å; V131-F139 HydrophobicContact CG2-CD1 4.28Å; V131-F139 HydrophobicContact CG2-CE1 3.59Å; V131-F139 HydrophobicContact CG2-CZ 3.91Å
132E85.2Confident92.9Very high172 Ų17248 Ų4880%0.80424%0.238SC*.THydrogen-bonded Turntrans-53.7-45.2-175.5-61.1-174.6162.800113.3Q130 K134Q130-E132 PolarHBondContact O-N 2.79Å; E132-K134 VanDerWaalsContact C-N 3.26Å; E132-K134 PolarHBondContact O-N 3.35Å
133T83.4Confident92.9Very high53 Ų5347.4 Ų47.433%0.32524%0.241SC..THydrogen-bonded Turntrans-77.3-8.6-179.161.20000114.1V50 G51 V131V50-T133 HydrophobicContact CB-CG2 4.14Å; V50-T133 HydrophobicContact CG1-CG2 3.67Å; G51-T133 WeakPolarHBondContact CA-OG1 3.38Å; G51-T133 PolarHBondContact N-OG1 2.76Å; V131-T133 VanDerWaalsContact C-N 3.33Å; V131-T133 PolarHBondContact O-N 2.92Å
134K87.9Confident92.9Very high87 Ų8750.7 Ų50.738%0.37826%0.261SS..  trans-151.883.4174-171.2178.3167.1-168.40109.9V131 E132 S136 V137 D152V131-K134 CarbonylContact O-C 3.56Å; V131-K134 PolarHBondContact O-N 3Å; V131-K134 VanDerWaalsContact O-O 3.13Å; E132-K134 VanDerWaalsContact C-N 3.26Å; E132-K134 PolarHBondContact O-N 3.35Å; K134-S136 WeakPolarHBondContact CE-OG 3.42Å; K134-S136 PolarHBondContact O-N 2.86Å; K134-V137 HydrophobicContact CB-CG2 4.47Å; K134-V137 HydrophobicContact CD-CG2 3.6Å; K134-V137 HydrophobicContact CG-CG2 4Å; K134-V137 PolarHBondContact O-N 2.82Å; K134-D152 VanDerWaalsContact NZ-CG 3.32Å; K134-D152 IonicContact NZ-OD1 4Å; K134-D152 PolarHBondContact NZ-OD1 3.02Å; K134-D152 IonicContact NZ-OD2 3.33Å; K134-D152 PolarHBondContact NZ-OD2 3.09Å
135P87.3Confident92.9Very high75 Ų7548 Ų4849%0.48725%0.247SC..THydrogen-bonded Turntrans-62-9.6-172.2-28.337.2000116.7Q130 V137 Y138Q130-P135 HydrophobicContact CG-CB 4.5Å; Q130-P135 PolarHBondContact NE2-O 3.36Å; P135-V137 VanDerWaalsContact C-N 3.3Å; P135-Y138 WeakPolarHBondContact O-CE2 3.12Å; P135-Y138 PolarHBondContact O-OH 3.48Å
136S88.9Confident92.8Very high41 Ų4157.6 Ų57.629%0.28729%0.289SS..THydrogen-bonded Turntrans-79-12.6169.667.40000113.5K134 Y138 D152 L153K134-S136 WeakPolarHBondContact CE-OG 3.42Å; K134-S136 PolarHBondContact O-N 2.86Å; S136-Y138 VanDerWaalsContact O-CD2 3.27Å; S136-Y138 WeakPolarHBondContact O-CD2 3.41Å; S136-Y138 WeakPolarHBondContact O-CE2 3.43Å; S136-D152 VanDerWaalsContact CB-OD1 3.3Å; S136-D152 WeakPolarHBondContact CB-OD1 3.4Å; S136-D152 CarbonylContact O-C 3.49Å; S136-D152 PolarHBondContact OG-OD1 3.27Å; S136-L153 PolarHBondContact O-N 3.2Å
137V91.9Very high92.8Very high8 Ų859.8 Ų59.85%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-98.4130.9-179.4176.40000110.9L73 V131 K134 P135 V150 Y151 D152L73-V137 HydrophobicContact CD1-CG1 4.32Å; V131-V137 HydrophobicContact CB-CB 4.25Å; V131-V137 HydrophobicContact CB-CG1 4.41Å; V131-V137 HydrophobicContact CG2-CB 4.17Å; V131-V137 HydrophobicContact CG2-CG1 3.8Å; V131-V137 PolarHBondContact N-O 3.32Å; K134-V137 HydrophobicContact CB-CG2 4.47Å; K134-V137 HydrophobicContact CD-CG2 3.6Å; K134-V137 HydrophobicContact CG-CG2 4Å; K134-V137 PolarHBondContact O-N 2.82Å; P135-V137 VanDerWaalsContact C-N 3.3Å; V137-V150 HydrophobicContact CG1-CG1 3.44Å; V137-V150 VanDerWaalsContact CG1-CG1 3.44Å; V137-Y151 CarbonylContact C-O 3.57Å; V137-Y151 VanDerWaalsContact CA-O 3.31Å; V137-Y151 WeakPolarHBondContact CA-O 3.45Å; V137-D152 HydrophobicContact CG2-CB 4.14Å
138Y93.7Very high92.8Very high4 Ų464.5 Ų64.52%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-128.6151.3-176.6-61.4-93.5000111.5D106 L108 I109 V127 H129 Q130 P135 S136 V150 Y151 L153D106-Y138 WeakPolarHBondContact CB-OH 3.15Å; D106-Y138 PolarHBondContact OD2-OH 3.04Å; D106-Y138 VanDerWaalsContact OD2-OH 3.11Å; L108-Y138 HydrophobicContact CB-CE1 4.33Å; L108-Y138 HydrophobicContact CD1-CE1 4.12Å; L108-Y138 HydrophobicContact CD1-CE2 4.2Å; I109-Y138 HydrophobicContact CD1-CD1 4.44Å; V127-Y138 HydrophobicContact CG1-CD1 3.73Å; V127-Y138 HydrophobicContact CG1-CG 4.15Å; H129-Y138 VanDerWaalsContact O-CA 3.31Å; H129-Y138 WeakPolarHBondContact O-CA 3.37Å; Q130-Y138 HydrophobicContact CB-CD1 3.77Å; Q130-Y138 HydrophobicContact CB-CE1 3.68Å; Q130-Y138 HydrophobicContact CG-CD1 4.02Å; Q130-Y138 HydrophobicContact CG-CE1 3.56Å; Q130-Y138 PolarHBondContact NE2-OH 3.05Å; P135-Y138 WeakPolarHBondContact O-CE2 3.12Å; P135-Y138 PolarHBondContact O-OH 3.48Å; S136-Y138 VanDerWaalsContact O-CD2 3.27Å; S136-Y138 WeakPolarHBondContact O-CD2 3.41Å; S136-Y138 WeakPolarHBondContact O-CE2 3.43Å; Y138-V150 WeakPolarHBondContact O-CA 3.12Å; Y138-Y151 PolarHBondContact N-O 2.77Å; Y138-Y151 PolarHBondContact O-N 2.86Å; Y138-L153 HydrophobicContact CD2-CB 3.76Å; Y138-L153 HydrophobicContact CD2-CD1 3.55Å; Y138-L153 HydrophobicContact CD2-CG 3.65Å; Y138-L153 HydrophobicContact CE2-CB 3.84Å; Y138-L153 HydrophobicContact CE2-CD1 4.07Å; Y138-L153 HydrophobicContact CE2-CG 4.23Å; Y138-L153 HydrophobicContact CG-CD1 3.98Å; Y138-L153 HydrophobicContact CG-CG 4.43Å
139F95.4Very high92.8Very high29 Ų2964.7 Ų64.713%0.12732%0.319CS..EExtended strand (participates in β ladder)trans-96.2129.7167.9-59.5-13.5000109.4L73 I128 H129 V131 I148 Y149 V150L73-F139 HydrophobicContact CB-CE1 4.16Å; L73-F139 HydrophobicContact CB-CZ 4.02Å; L73-F139 HydrophobicContact CD1-CE1 4.07Å; I128-F139 HydrophobicContact CD1-CB 4.37Å; I128-F139 HydrophobicContact CG1-CB 3.89Å; I128-F139 WeakPolarHBondContact CG1-O 3.36Å; I128-F139 PolarHBondContact N-O 3.45Å; H129-F139 HydrophobicContact CB-CB 3.94Å; H129-F139 HydrophobicContact CB-CD2 3.63Å; H129-F139 HydrophobicContact CB-CE2 4.41Å; H129-F139 HydrophobicContact CB-CG 4.03Å; H129-F139 AromaticContact CD2-CD2 3.72Å; H129-F139 AromaticContact CD2-CE2 3.64Å; H129-F139 AromaticContact CG-CD2 3.96Å; H129-F139 PolarHBondContact O-N 2.91Å; V131-F139 HydrophobicContact CG2-CD1 4.28Å; V131-F139 HydrophobicContact CG2-CE1 3.59Å; V131-F139 HydrophobicContact CG2-CZ 3.91Å; F139-I148 HydrophobicContact CB-CG2 3.68Å; F139-I148 HydrophobicContact CD2-CG2 4.42Å; F139-I148 HydrophobicContact CG-CG2 4.07Å; F139-Y149 CarbonylContact C-O 3.39Å; F139-Y149 WeakPolarHBondContact CA-O 3.34Å; F139-V150 HydrophobicContact CD1-CG2 3.91Å; F139-V150 HydrophobicContact CE1-CG1 4.44Å; F139-V150 HydrophobicContact CE1-CG2 3.94Å
140I96.6Very high92.9Very high8 Ų865.2 Ų65.24%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-124129.2-177.2-60.2-178000108.7V113 M126 V127 F142 Y149 Y151 L153V113-I140 HydrophobicContact CG2-CD1 4.33Å; V113-I140 HydrophobicContact CG2-CG2 3.67Å; M126-I140 WeakPolarHBondContact O-CA 3.42Å; V127-I140 HydrophobicContact CG2-CG1 4.35Å; I140-F142 HydrophobicContact CG2-CD1 4.5Å; I140-F142 HydrophobicContact CG2-CE1 4.18Å; I140-F142 HydrophobicContact CG2-CE2 4.28Å; I140-F142 HydrophobicContact CG2-CZ 4.06Å; I140-Y149 PolarHBondContact N-O 2.81Å; I140-Y149 PolarHBondContact O-N 2.91Å; I140-Y151 HydrophobicContact CB-CD2 4.22Å; I140-Y151 HydrophobicContact CD1-CD2 3.67Å; I140-Y151 HydrophobicContact CD1-CE2 4.37Å; I140-Y151 HydrophobicContact CD1-CG 4.2Å; I140-Y151 HydrophobicContact CG1-CD2 4.17Å; I140-L153 HydrophobicContact CD1-CD1 4.43Å
141K97.5Very high93Very high46 Ų4667.1 Ų67.120%0.233%0.334CS..EExtended strand (participates in β ladder)trans-103.7115.5171-174.577.3-149.972.80108.2G125 M126 I128 D145 H147 I148G125-K141 CarbonylContact C-O 3.6Å; G125-K141 WeakPolarHBondContact CA-O 3.17Å; M126-K141 PolarHBondContact N-O 3Å; M126-K141 PolarHBondContact O-N 2.93Å; I128-K141 HydrophobicContact CD1-CB 4.29Å; I128-K141 HydrophobicContact CG2-CB 4.15Å; K141-D145 VanDerWaalsContact CE-O 3.28Å; K141-D145 WeakPolarHBondContact CE-O 3.29Å; K141-D145 VanDerWaalsContact NZ-C 3.34Å; K141-D145 PolarHBondContact NZ-O 3.13Å; K141-D145 IonicContact NZ-OD1 3.26Å; K141-D145 PolarHBondContact NZ-OD1 3.38Å; K141-H147 VanDerWaalsContact CD-O 3.32Å; K141-H147 WeakPolarHBondContact CD-O 3.49Å; K141-H147 VanDerWaalsContact CE-O 3.29Å; K141-H147 WeakPolarHBondContact CE-O 3.1Å; K141-H147 PolarHBondContact NZ-O 2.83Å; K141-I148 HydrophobicContact CD-CG1 4.35Å
142F97.1Very high93.1Very high3 Ų371 Ų711%0.01335%0.354CS..EExtended strand (participates in β ladder)trans-82.7150.4167.4-64.7-70.7000110.8Y115 R123 I124 I140 D144 Y149 Y151Y115-F142 HydrophobicContact CG-CZ 4.32Å; R123-F142 HydrophobicContact CB-CD1 3.78Å; R123-F142 HydrophobicContact CB-CE1 4.17Å; R123-F142 HydrophobicContact CB-CG 4.28Å; I124-F142 WeakPolarHBondContact O-CA 3.14Å; I140-F142 HydrophobicContact CG2-CD1 4.5Å; I140-F142 HydrophobicContact CG2-CE1 4.18Å; I140-F142 HydrophobicContact CG2-CE2 4.28Å; I140-F142 HydrophobicContact CG2-CZ 4.06Å; F142-D144 VanDerWaalsContact C-N 3.33Å; F142-D144 WeakPolarHBondContact CB-OD1 3.42Å; F142-D144 PolarHBondContact O-N 2.81Å; F142-Y149 AromaticContact CD2-CD2 3.55Å; F142-Y149 HydrophobicContact CD2-CD2 3.55Å; F142-Y149 AromaticContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CG 4.17Å; F142-Y149 AromaticContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CE2 4.33Å; F142-Y149 HydrophobicContact CE2-CG 4.09Å; F142-Y151 AromaticContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CZ-CE2 4.15Å
143D95.9Very high93.3Very high112 Ų11265.9 Ų65.960%0.59933%0.332SS*.THydrogen-bonded Turntrans-78.8-16.8-170-55.4-32.4000113.5I124I124-D143 PolarHBondContact O-N 3.03Å
144D95.2Very high93.4Very high96 Ų9668.5 Ų68.551%0.51335%0.347SS..THydrogen-bonded Turntrans-96.58.1-173.862.4-31.6000114.6R123 F142R123-D144 IonicContact CZ-OD1 3.17Å; R123-D144 IonicContact CZ-OD2 3.59Å; R123-D144 VanDerWaalsContact NE-CG 3.27Å; R123-D144 IonicContact NE-OD1 2.8Å; R123-D144 PolarHBondContact NE-OD1 2.99Å; R123-D144 IonicContact NE-OD2 2.93Å; R123-D144 PolarHBondContact NE-OD2 2.84Å; R123-D144 IonicContact NH2-OD1 2.71Å; R123-D144 PolarHBondContact NH2-OD1 3.1Å; R123-D144 IonicContact NH2-OD2 3.54Å; F142-D144 VanDerWaalsContact C-N 3.33Å; F142-D144 WeakPolarHBondContact CB-OD1 3.42Å; F142-D144 PolarHBondContact O-N 2.81Å
145D95.8Very high92.9Very high32 Ų3273.1 Ų73.117%0.17137%0.368CS..SBendtrans-151.6-169.5170.373.626.7000113.6R123 K141 H147 Y149R123-D145 IonicContact CZ-OD2 3.7Å; R123-D145 IonicContact NH1-OD2 3.74Å; R123-D145 IonicContact NH2-OD1 3.9Å; R123-D145 IonicContact NH2-OD2 2.76Å; R123-D145 PolarHBondContact NH2-OD2 2.88Å; K141-D145 VanDerWaalsContact CE-O 3.28Å; K141-D145 WeakPolarHBondContact CE-O 3.29Å; K141-D145 VanDerWaalsContact NZ-C 3.34Å; K141-D145 PolarHBondContact NZ-O 3.13Å; K141-D145 IonicContact NZ-OD1 3.26Å; K141-D145 PolarHBondContact NZ-OD1 3.38Å; D145-H147 PolarHBondContact OD1-N 2.86Å; D145-H147 IonicContact OD1-ND1 3.49Å; D145-H147 IonicContact OD2-ND1 2.63Å; D145-H147 PolarHBondContact OD2-ND1 2.89Å; D145-Y149 VanDerWaalsContact OD2-CE2 3.31Å; D145-Y149 WeakPolarHBondContact OD2-CE2 3.11Å; D145-Y149 PolarHBondContact OD2-OH 2.88Å
146F95.4Very high92.4Very high203 Ų20378.9 Ų78.989%0.8939%0.385SS*.SBendtrans-107.71177.2-55.6-73.4000114.6
147H96.1Very high91.1Very high121 Ų12186 Ų8656%0.5644%0.435SS*.PPolyproline II helixtrans-82.9148.4-176.4-56.5111.5000112.6K141 D145 Y149K141-H147 VanDerWaalsContact CD-O 3.32Å; K141-H147 WeakPolarHBondContact CD-O 3.49Å; K141-H147 VanDerWaalsContact CE-O 3.29Å; K141-H147 WeakPolarHBondContact CE-O 3.1Å; K141-H147 PolarHBondContact NZ-O 2.83Å; D145-H147 PolarHBondContact OD1-N 2.86Å; D145-H147 IonicContact OD1-ND1 3.49Å; D145-H147 IonicContact OD2-ND1 2.63Å; D145-H147 PolarHBondContact OD2-ND1 2.89Å; H147-Y149 HydrophobicContact CB-CD2 4.27Å; H147-Y149 HydrophobicContact CB-CE2 3.81Å
148I96Very high91.1Very high101 Ų10189.9 Ų89.952%0.51845%0.454SS..EExtended strand (participates in β ladder)trans-97.9123164.4-62.6175000107.4I128 F139 K141I128-I148 HydrophobicContact CD1-CD1 3.99Å; I128-I148 HydrophobicContact CD1-CG1 4.08Å; I128-I148 HydrophobicContact CD1-CG2 4.15Å; F139-I148 HydrophobicContact CB-CG2 3.68Å; F139-I148 HydrophobicContact CD2-CG2 4.42Å; F139-I148 HydrophobicContact CG-CG2 4.07Å; K141-I148 HydrophobicContact CD-CG1 4.35Å
149Y95.7Very high91Very high70 Ų7094.4 Ų94.428%0.27548%0.477SS..EExtended strand (participates in β ladder)trans-98.4142.7178.7-70.9-97000111.1R123 F139 I140 F142 D145 H147 Y151R123-Y149 PolarHBondContact NH1-OH 3.07Å; F139-Y149 CarbonylContact C-O 3.39Å; F139-Y149 WeakPolarHBondContact CA-O 3.34Å; I140-Y149 PolarHBondContact N-O 2.81Å; I140-Y149 PolarHBondContact O-N 2.91Å; F142-Y149 AromaticContact CD2-CD2 3.55Å; F142-Y149 HydrophobicContact CD2-CD2 3.55Å; F142-Y149 AromaticContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CG 4.17Å; F142-Y149 AromaticContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CE2 4.33Å; F142-Y149 HydrophobicContact CE2-CG 4.09Å; D145-Y149 VanDerWaalsContact OD2-CE2 3.31Å; D145-Y149 WeakPolarHBondContact OD2-CE2 3.11Å; D145-Y149 PolarHBondContact OD2-OH 2.88Å; H147-Y149 HydrophobicContact CB-CD2 4.27Å; H147-Y149 HydrophobicContact CB-CE2 3.81Å; Y149-Y151 VanDerWaalsContact CB-CE2 3.45Å; Y149-Y151 HydrophobicContact CD1-CE2 4.38Å; Y149-Y151 HydrophobicContact CG-CE2 4.16Å
150V95.1Very high90.7Very high78 Ų7898.1 Ų98.147%0.47350%0.497SS..EExtended strand (participates in β ladder)trans-105.7120.9177.5-177.90000109.2L73 V137 Y138 F139L73-V150 HydrophobicContact CD1-CB 4.45Å; L73-V150 HydrophobicContact CD1-CG1 3.5Å; L73-V150 HydrophobicContact CD1-CG2 4.14Å; V137-V150 HydrophobicContact CG1-CG1 3.44Å; V137-V150 VanDerWaalsContact CG1-CG1 3.44Å; Y138-V150 WeakPolarHBondContact O-CA 3.12Å; F139-V150 HydrophobicContact CD1-CG2 3.91Å; F139-V150 HydrophobicContact CE1-CG1 4.44Å; F139-V150 HydrophobicContact CE1-CG2 3.94Å
151Y93.4Very high90.4Very high71 Ų71103.4 Ų103.428%0.27852%0.523SS..EExtended strand (participates in β ladder)trans-127.3138.7179.6-75-85.7000112.3V137 Y138 I140 F142 Y149V137-Y151 CarbonylContact C-O 3.57Å; V137-Y151 VanDerWaalsContact CA-O 3.31Å; V137-Y151 WeakPolarHBondContact CA-O 3.45Å; Y138-Y151 PolarHBondContact N-O 2.77Å; Y138-Y151 PolarHBondContact O-N 2.86Å; I140-Y151 HydrophobicContact CB-CD2 4.22Å; I140-Y151 HydrophobicContact CD1-CD2 3.67Å; I140-Y151 HydrophobicContact CD1-CE2 4.37Å; I140-Y151 HydrophobicContact CD1-CG 4.2Å; I140-Y151 HydrophobicContact CG1-CD2 4.17Å; F142-Y151 AromaticContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CZ-CE2 4.15Å; Y149-Y151 VanDerWaalsContact CB-CE2 3.45Å; Y149-Y151 HydrophobicContact CD1-CE2 4.38Å; Y149-Y151 HydrophobicContact CG-CE2 4.16Å
152D92Very high89.9Confident80 Ų80106.9 Ų106.943%0.42854%0.544SS..EExtended strand (participates in β ladder)trans-92.593.5171.6-158.11.6000108.8K134 S136 V137 V154K134-D152 VanDerWaalsContact NZ-CG 3.32Å; K134-D152 IonicContact NZ-OD1 4Å; K134-D152 PolarHBondContact NZ-OD1 3.02Å; K134-D152 IonicContact NZ-OD2 3.33Å; K134-D152 PolarHBondContact NZ-OD2 3.09Å; S136-D152 VanDerWaalsContact CB-OD1 3.3Å; S136-D152 WeakPolarHBondContact CB-OD1 3.4Å; S136-D152 CarbonylContact O-C 3.49Å; S136-D152 PolarHBondContact OG-OD1 3.27Å; V137-D152 HydrophobicContact CG2-CB 4.14Å; D152-V154 PolarHBondContact O-N 2.74Å
153L88.9Confident89.4Confident66 Ų66113.9 Ų113.935%0.34658%0.579SS.*  trans-83.978.2-174-60-174.4000110.8L108 S136 Y138 I140 K155L108-L153 HydrophobicContact CD1-CD1 4.09Å; S136-L153 PolarHBondContact O-N 3.2Å; Y138-L153 HydrophobicContact CD2-CB 3.76Å; Y138-L153 HydrophobicContact CD2-CD1 3.55Å; Y138-L153 HydrophobicContact CD2-CG 3.65Å; Y138-L153 HydrophobicContact CE2-CB 3.84Å; Y138-L153 HydrophobicContact CE2-CD1 4.07Å; Y138-L153 HydrophobicContact CE2-CG 4.23Å; Y138-L153 HydrophobicContact CG-CD1 3.98Å; Y138-L153 HydrophobicContact CG-CG 4.43Å; I140-L153 HydrophobicContact CD1-CD1 4.43Å; L153-K155 PolarHBondContact O-N 3.14Å
154V85Confident89Confident107 Ų107114 Ų11465%0.64858%0.578SS**PPolyproline II helixtrans-77.8119.1174.5-174.70000110.1D152 K156D152-V154 PolarHBondContact O-N 2.74Å; V154-K156 PolarHBondContact O-N 3.32Å
155K78.5Confident88.5Confident185 Ų185115.4 Ų115.480%0.80458%0.582SS**PPolyproline II helixtrans-62.1120.4172.4-177177.3179.8-179.40110L153L153-K155 PolarHBondContact O-N 3.14Å
156K76.2Confident87.9Confident196 Ų196122.3 Ų122.385%0.85262%0.617SS**PPolyproline II helixtrans-78.9136.8168.1-63.4-179.3-178.9178.30109.3V154V154-K156 PolarHBondContact O-N 3.32Å
157S62.5Low87.2Confident190 Ų190115 Ų115100%1.32959%0.592SS**  trans-98.70170.4-60.60000110.5

Retrieved 157 of 157 residues in 260.8 ms (Link to these results)