A0A096MW92_PAPAN Loading...

SLIT and NTRK like family member 4

AlphaFold DB (A0A2K5NUP1), UniProt , Accession A0A096MW92, Species PAPAN (Papio anubis, Olive baboon), Gene SLITRK4, Length 837 aa.

						>A0A096MW92_PAPAN|A0A096MW92|SLITRK4
MFLWLFLILSALISSTNADSDISVEICNVCSCVSVENVLYVNCEKVSVYRPNQLKPPWSNFYHLNFQNNFLNILYPNTFLNFSHAVSLHLGNNKLQNIEGGAFLGLSALKQLHLNNNELKILRADTFLGIENLEYLQADYNLIKYIERGAFNKLHKLKVLILNDNLISFLPDNIFRFASLTHLDIRGNRIQKLPYIGVLEHIGRVVELQLEDNPWNCSCDLLPLKAWLENMPYNIYIGEAICETPSDLYGRLLKETNKQELCPMGTGSDFDVRILPPSQLENGYTTPNGHTTQTSLHRLVTKPPKTTNPSKISGIVAGKALSNRNLSQIVSYQTRVPPLTPCPAPCFCKTHPSDLGLSVNCQEKNIQSMSELIPKPLNAKKLHVNGNSIKDVDVSDFTDFEGLDLLHLGSNQITVIKGDVFHNLTNLRRLYLNGNQIERLYPEIFSGLHNLQYLYLEYNLIKEILAGTFDSMPNLQLLYLNNNLLKSLPVYIFSGAPLARLNLRNNKFMYLPVSGVLDQLQSLTQIDLEGNPWDCTCDLVALKLWVEKLSDGIVVKELKCETPVQFANIELKSLKNEILCPKLLNKPSAPFTSPAPAITFTTPLGPIRSPPGGPVPLSILILSILVVLILTVFVAFCLLVFVLRRNKKPTVKHEGLGNPECGSMQLQLRKHDHKTNKKDGLSTEAFIPQTIEQMSKSHTCGLKESETGFMFSDPPGQKVVMRNVADKEKDLLHVDTRKRLSTIDELDELFPSRDSNVFIQNFLESKKEYNSIGVSGFEIRYPEKQPDKKNKKSLIGGNHSKIVVEQRKSEYFELKAKLQSSPDYLQVLEEQTALNKI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	50.8	Low	43	Very low	216 Å²	216	138.4 Å²	138.4	100%	1.064	70%	0.698	S	S	*	*				0	-50.3	0	-137.4	158	81.2	0	0	113	L3 W4	M1-L3 PolarHBondContact O-N 2.64Å; M1-W4 PolarHBondContact O-N 3Å
2	F	44.3	Very low	42.3	Very low	176 Å²	176	137.8 Å²	137.8	77%	0.772	70%	0.697	S	S	*	*	H	α-helix	trans	-59.8	-32	-177.4	-89.7	-86.8	0	0	0	116.5	W4 L5	F2-W4 VanDerWaalsContact C-N 3.26Å; F2-W4 PolarHBondContact O-N 2.75Å; F2-L5 PolarHBondContact O-N 2.73Å
3	L	41.3	Very low	41.9	Very low	150 Å²	150	139 Å²	139	79%	0.785	70%	0.704	S	S	*	*	H	α-helix	trans	-66.7	-22.3	-176.2	-142	77.4	0	0	0	114.5	M1	M1-L3 PolarHBondContact O-N 2.64Å
4	W	41.7	Very low	41.4	Very low	200 Å²	200	137.3 Å²	137.3	76%	0.758	71%	0.712	S	S	*	*	H	α-helix	trans	-82.3	-27.5	178.7	-95.8	50.6	0	0	0	113.4	M1 F2 F6 L7 I8	M1-W4 PolarHBondContact O-N 3Å; F2-W4 VanDerWaalsContact C-N 3.26Å; F2-W4 PolarHBondContact O-N 2.75Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 3.05Å; W4-L7 PolarHBondContact O-N 3.36Å; W4-I8 PolarHBondContact O-N 3.26Å
5	L	44.3	Very low	41.4	Very low	113 Å²	113	134.1 Å²	134.1	59%	0.592	71%	0.706	S	S	*	*	H	α-helix	trans	-67.2	-35.2	178.8	-87.6	159.5	0	0	0	112.2	F2 L9	F2-L5 PolarHBondContact O-N 2.73Å; L5-L9 PolarHBondContact O-N 2.71Å; L5-L9 VanDerWaalsContact O-N 3.15Å
6	F	45	Very low	41.1	Very low	170 Å²	170	133.8 Å²	133.8	75%	0.746	71%	0.711	S	S	*	*	H	α-helix	trans	-65.4	-42.9	176.8	-104.3	-87	0	0	0	112.8	W4 I8 L9 S10	W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 3.05Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.66Å; F6-L9 PolarHBondContact O-N 3.11Å; F6-S10 PolarHBondContact O-N 3.41Å; F6-S10 VanDerWaalsContact O-N 3.14Å; F6-S10 PolarHBondContact O-OG 3.14Å
7	L	44	Very low	40.4	Very low	115 Å²	115	135.5 Å²	135.5	60%	0.602	72%	0.72	S	S	*	*	H	α-helix	trans	-65.5	-35.1	179.9	-80.9	163.1	0	0	0	112.9	W4 S10 A11	W4-L7 PolarHBondContact O-N 3.36Å; L7-S10 WeakPolarHBondContact CA-OG 3.26Å; L7-S10 PolarHBondContact O-OG 2.75Å; L7-A11 PolarHBondContact O-N 2.82Å
8	I	42.9	Very low	40.3	Very low	91 Å²	91	132.7 Å²	132.7	47%	0.467	72%	0.72	S	S	.	*	H	α-helix	trans	-72.8	-37.6	176.9	-65.3	170.2	0	0	0	110.8	W4 F6 S10 A11 L12	W4-I8 PolarHBondContact O-N 3.26Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.66Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.12Å; I8-A11 PolarHBondContact O-N 3.34Å; I8-A11 VanDerWaalsContact O-N 3.13Å; I8-L12 HydrophobicContact CG2-CD1 4.22Å
9	L	39.6	Very low	40.2	Very low	131 Å²	131	134.6 Å²	134.6	69%	0.686	73%	0.73	S	S	*	*	H	α-helix	trans	-66.3	-34.5	177.3	-143.9	76.9	0	0	0	112.4	L5 F6 A11	L5-L9 PolarHBondContact O-N 2.71Å; L5-L9 VanDerWaalsContact O-N 3.15Å; F6-L9 PolarHBondContact O-N 3.11Å; L9-A11 VanDerWaalsContact C-N 3.27Å; L9-A11 PolarHBondContact O-N 2.89Å
10	S	40.3	Very low	39.9	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	73%	0.729	S	S	*	*	H	α-helix	trans	-70.9	-16.9	172.8	48.2	0	0	0	0	114.7	F6 L7 I8	F6-S10 PolarHBondContact O-N 3.41Å; F6-S10 VanDerWaalsContact O-N 3.14Å; F6-S10 PolarHBondContact O-OG 3.14Å; L7-S10 WeakPolarHBondContact CA-OG 3.26Å; L7-S10 PolarHBondContact O-OG 2.75Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.12Å
11	A	38.3	Very low	39.9	Very low	73 Å²	73	132.8 Å²	132.8	60%	0.603	73%	0.727	S	S	*	*	H	α-helix	trans	-93.1	-9.4	-175.9	0	0	0	0	0	114.3	L7 I8 L9	L7-A11 PolarHBondContact O-N 2.82Å; I8-A11 PolarHBondContact O-N 3.34Å; I8-A11 VanDerWaalsContact O-N 3.13Å; L9-A11 VanDerWaalsContact C-N 3.27Å; L9-A11 PolarHBondContact O-N 2.89Å
12	L	34.7	Very low	39.4	Very low	131 Å²	131	129.5 Å²	129.5	69%	0.686	71%	0.712	S	S	*	*	S	Bend	trans	-106.2	12.6	-169.3	-97.8	159.9	0	0	0	115.2	I8	I8-L12 HydrophobicContact CG2-CD1 4.22Å
13	I	37.7	Very low	39.8	Very low	154 Å²	154	123.3 Å²	123.3	79%	0.79	69%	0.69	S	S	*	*	S	Bend	trans	-108.7	14.6	176	-42.9	-177.7	0	0	0	110.9
14	S	34.4	Very low	40.7	Very low	115 Å²	115	118.9 Å²	118.9	80%	0.804	67%	0.67	S	S	*	*	S	Bend	trans	-114.2	42.6	-177.8	-168	0	0	0	0	113.8
15	S	41.8	Very low	42.1	Very low	89 Å²	89	112.1 Å²	112.1	62%	0.622	65%	0.647	S	S	*	*	S	Bend	trans	-155.5	154.7	161.5	60.3	0	0	0	0	110
16	T	36.8	Very low	43.7	Very low	129 Å²	129	106.8 Å²	106.8	79%	0.791	62%	0.618	S	S	*	*			trans	56.9	75	179.7	67.6	0	0	0	0	115.7
17	N	28	Very low	45.2	Very low	163 Å²	163	100.6 Å²	100.6	87%	0.872	60%	0.596	S	S	*	*				-145.1	133.2	112.6	-92.7	-28.2	0	0	0	109.4
18	A	38.6	Very low	46.7	Very low	86 Å²	86	100.7 Å²	100.7	71%	0.711	60%	0.597	S	S	*	*			trans	-79.3	165.8	161	0	0	0	0	0	108.9
19	D	39.1	Very low	48.2	Very low	169 Å²	169	99.1 Å²	99.1	90%	0.904	59%	0.592	S	S	*	*			trans	57.2	89.5	-178.9	-59.9	-18	0	0	0	115
20	S	33.5	Very low	50.3	Low	103 Å²	103	93.3 Å²	93.3	72%	0.72	56%	0.562	S	S	*	*			trans	-140.4	127	156	53.6	0	0	0	0	109.9	I22	S20-I22 PolarHBondContact O-N 3.04Å; S20-I22 VanDerWaalsContact O-N 3.13Å
21	D	41	Very low	52.3	Low	127 Å²	127	92.8 Å²	92.8	68%	0.679	56%	0.558	S	S	*	*			trans	-66.2	110.4	-178	-92.5	-63.3	0	0	0	111.1	S23	D21-S23 PolarHBondContact O-N 2.85Å; D21-S23 PolarHBondContact O-OG 3.12Å
22	I	40.6	Very low	54.5	Low	148 Å²	148	91.3 Å²	91.3	76%	0.759	54%	0.543	S	S	*	.			trans	-71.6	78.6	171.2	-53.2	179.7	0	0	0	108.3	S20 V24	S20-I22 PolarHBondContact O-N 3.04Å; S20-I22 VanDerWaalsContact O-N 3.13Å; I22-V24 HydrophobicContact CG2-CG2 4.17Å; I22-V24 WeakPolarHBondContact O-CG2 3.45Å; I22-V24 PolarHBondContact O-N 3.02Å; I22-V24 VanDerWaalsContact O-N 3.11Å
23	S	51.3	Low	56.7	Low	45 Å²	45	88.7 Å²	88.7	32%	0.315	53%	0.532	S	S	.	.			trans	-77.9	92.6	-178.6	37.7	0	0	0	0	110.1	D21 Q53 K55	D21-S23 PolarHBondContact O-N 2.85Å; D21-S23 PolarHBondContact O-OG 3.12Å; S23-Q53 WeakPolarHBondContact CA-O 3.4Å; S23-K55 WeakPolarHBondContact O-CD 3.43Å; S23-K55 WeakPolarHBondContact O-CE 3.24Å; S23-K55 PolarHBondContact O-NZ 3.13Å; S23-K55 VanDerWaalsContact OG-CE 3.27Å; S23-K55 WeakPolarHBondContact OG-CE 3.07Å; S23-K55 PolarHBondContact OG-NZ 2.82Å
24	V	60.6	Low	58.7	Low	58 Å²	58	85.1 Å²	85.1	35%	0.352	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	142.7	-176.1	-166.2	0	0	0	0	110.6	I22 N28 V29 Q53 L54 K55	I22-V24 HydrophobicContact CG2-CG2 4.17Å; I22-V24 WeakPolarHBondContact O-CG2 3.45Å; I22-V24 PolarHBondContact O-N 3.02Å; I22-V24 VanDerWaalsContact O-N 3.11Å; V24-N28 HydrophobicContact CG1-CB 4.23Å; V24-V29 HydrophobicContact CB-CG2 3.96Å; V24-V29 HydrophobicContact CG1-CG2 3.57Å; V24-Q53 PolarHBondContact N-O 2.99Å; V24-L54 CarbonylContact O-C 3.59Å; V24-L54 WeakPolarHBondContact O-CA 3.41Å; V24-K55 PolarHBondContact O-N 3.06Å
25	E	72.4	Confident	60.6	Low	58 Å²	58	83.3 Å²	83.3	27%	0.271	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.1	171.8	-176.1	-166.7	162.4	0	0	111.2	C27 N28 W58	E25-C27 VanDerWaalsContact C-N 3.26Å; E25-C27 PolarHBondContact O-N 2.95Å; E25-N28 PolarHBondContact O-N 2.9Å; E25-N28 PolarHBondContact OE2-ND2 3.03Å; E25-W58 VanDerWaalsContact CD-CH2 3.43Å; E25-W58 HydrophobicContact CG-CH2 3.99Å; E25-W58 HydrophobicContact CG-CZ3 4.26Å; E25-W58 VanDerWaalsContact OE1-CZ3 3.29Å; E25-W58 WeakPolarHBondContact OE1-CZ3 3.37Å; E25-W58 WeakPolarHBondContact OE2-CH2 3.45Å
26	I	76.6	Confident	61.9	Low	0 Å²	0	87.8 Å²	87.8	0%	0	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-59.6	-34.1	-170.3	-162	161.6	0	0	0	113.5	N28 V29 C30 V41 L54 K55 P57 L64 F66 F82	I26-N28 PolarHBondContact O-N 3.49Å; I26-V29 PolarHBondContact O-N 3.34Å; I26-V29 VanDerWaalsContact O-N 3.16Å; I26-C30 HydrophobicContact CG1-CB 4.23Å; I26-C30 VanDerWaalsContact O-CB 3.31Å; I26-C30 WeakPolarHBondContact O-CB 3.39Å; I26-C30 PolarHBondContact O-N 3.45Å; I26-V41 HydrophobicContact CD1-CG1 3.8Å; I26-V41 HydrophobicContact CG1-CG1 3.72Å; I26-V41 HydrophobicContact CG2-CG1 4.05Å; I26-L54 HydrophobicContact CB-CB 4.29Å; I26-L54 HydrophobicContact CD1-CB 4.21Å; I26-L54 HydrophobicContact CD1-CD1 3.97Å; I26-L54 HydrophobicContact CG1-CB 4.26Å; I26-L54 HydrophobicContact CG1-CD1 4.1Å; I26-L54 HydrophobicContact CG1-CD2 4.5Å; I26-K55 WeakPolarHBondContact CB-O 3.11Å; I26-K55 WeakPolarHBondContact CG2-O 3.5Å; I26-K55 PolarHBondContact N-O 2.81Å; I26-P57 HydrophobicContact CG2-CG 3.97Å; I26-L64 HydrophobicContact CD1-CD2 4.38Å; I26-F66 HydrophobicContact CD1-CZ 3.92Å; I26-F82 HydrophobicContact CD1-CE1 3.91Å; I26-F82 HydrophobicContact CD1-CZ 4.25Å
27	C	76.1	Confident	63.5	Low	40 Å²	40	88 Å²	88	27%	0.27	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-75.3	-6.1	179	-64.1	0	0	0	0	115	E25 C32	E25-C27 VanDerWaalsContact C-N 3.26Å; E25-C27 PolarHBondContact O-N 2.95Å; C27-C32 WeakPolarHBondContact CA-SG 3.46Å; C27-C32 HydrophobicContact CB-CB 3.69Å; C27-C32 WeakPolarHBondContact CB-SG 3.44Å; C27-C32 WeakPolarHBondContact SG-CB 3.26Å; C27-C32 CovalentContact SG-SG 2.04Å; C27-C32 PolarHBondContact SG-SG 3.1Å
28	N	75.6	Confident	65.7	Low	117 Å²	117	82.5 Å²	82.5	63%	0.626	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-94.2	-8.3	170.6	-65.8	-44.6	0	0	0	112.5	V24 E25 I26	V24-N28 HydrophobicContact CG1-CB 4.23Å; E25-N28 PolarHBondContact O-N 2.9Å; E25-N28 PolarHBondContact OE2-ND2 3.03Å; I26-N28 PolarHBondContact O-N 3.49Å
29	V	75.4	Confident	67.8	Low	59 Å²	59	79.7 Å²	79.7	36%	0.358	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-34.9	179.9	176	0	0	0	0	111.2	V24 I26 V46 L54	V24-V29 HydrophobicContact CB-CG2 3.96Å; V24-V29 HydrophobicContact CG1-CG2 3.57Å; I26-V29 PolarHBondContact O-N 3.34Å; I26-V29 VanDerWaalsContact O-N 3.16Å; V29-V46 HydrophobicContact CG1-CG1 3.63Å; V29-L54 HydrophobicContact CB-CD2 4.15Å; V29-L54 HydrophobicContact CG1-CD2 4.17Å; V29-L54 HydrophobicContact CG2-CD2 4.18Å
30	C	82.3	Confident	70	Confident	9 Å²	9	76.2 Å²	76.2	6%	0.061	43%	0.432	C	S	.	.	S	Bend	trans	-116.4	155.3	-176.2	-53.4	0	0	0	0	111.1	I26 C32 V41 N42 C43	I26-C30 HydrophobicContact CG1-CB 4.23Å; I26-C30 VanDerWaalsContact O-CB 3.31Å; I26-C30 WeakPolarHBondContact O-CB 3.39Å; I26-C30 PolarHBondContact O-N 3.45Å; C30-C32 PolarHBondContact O-N 3.37Å; C30-V41 HydrophobicContact CB-CG1 4.06Å; C30-N42 WeakPolarHBondContact CB-O 3.25Å; C30-C43 HydrophobicContact CB-CB 3.9Å; C30-C43 WeakPolarHBondContact CB-SG 3.24Å; C30-C43 WeakPolarHBondContact SG-CA 3.42Å; C30-C43 WeakPolarHBondContact SG-CB 3.22Å; C30-C43 CovalentContact SG-SG 2.03Å; C30-C43 PolarHBondContact SG-SG 3.42Å
31	S	83.2	Confident	72.5	Confident	75 Å²	75	71.5 Å²	71.5	52%	0.524	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.7	177.8	-171.5	0	0	0	0	110.7	N42	S31-N42 PolarHBondContact N-O 2.68Å; S31-N42 PolarHBondContact O-N 3.11Å
32	C	84.3	Confident	74.6	Confident	42 Å²	42	68.3 Å²	68.3	28%	0.284	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.9	176.6	-77	0	0	0	0	111.5	C27 C30 L39 Y40	C27-C32 WeakPolarHBondContact CA-SG 3.46Å; C27-C32 HydrophobicContact CB-CB 3.69Å; C27-C32 WeakPolarHBondContact CB-SG 3.44Å; C27-C32 WeakPolarHBondContact SG-CB 3.26Å; C27-C32 CovalentContact SG-SG 2.04Å; C27-C32 PolarHBondContact SG-SG 3.1Å; C30-C32 PolarHBondContact O-N 3.37Å; C32-L39 HydrophobicContact CB-CD1 4.09Å; C32-Y40 WeakPolarHBondContact CA-O 3.35Å
33	V	81.4	Confident	76.7	Confident	76 Å²	76	61.3 Å²	61.3	46%	0.461	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.7	178	-176.3	0	0	0	0	109.1	V35 Y40	V33-V35 HydrophobicContact CG1-CG2 4.08Å; V33-Y40 PolarHBondContact N-O 3.15Å; V33-Y40 PolarHBondContact O-N 3.21Å
34	S	79.2	Confident	78.2	Confident	80 Å²	80	61.7 Å²	61.7	56%	0.559	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.7	174.1	-173.2	0	0	0	0	110.1	V38	S34-V38 WeakPolarHBondContact CA-O 3.29Å
35	V	75.7	Confident	78.7	Confident	77 Å²	77	63.6 Å²	63.6	47%	0.467	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.7	176.9	-176	0	0	0	0	107.3	V33 N37 V38 Y40	V33-V35 HydrophobicContact CG1-CG2 4.08Å; V35-N37 PolarHBondContact O-N 3.21Å; V35-N37 VanDerWaalsContact O-N 3.1Å; V35-V38 PolarHBondContact N-O 3.03Å; V35-V38 WeakPolarHBondContact O-CA 3.15Å; V35-V38 WeakPolarHBondContact O-CB 3.49Å; V35-V38 PolarHBondContact O-N 3.49Å; V35-Y40 HydrophobicContact CB-CD2 4.3Å; V35-Y40 HydrophobicContact CB-CE2 4.02Å; V35-Y40 HydrophobicContact CG2-CD2 4.27Å; V35-Y40 HydrophobicContact CG2-CE2 4.41Å
36	E	68	Low	78.8	Confident	183 Å²	183	63.5 Å²	63.5	86%	0.855	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	36.2	179.5	-57.9	-168.8	165.1	0	0	114.7	V38	E36-V38 PolarHBondContact O-N 2.86Å
37	N	70.9	Confident	78.4	Confident	134 Å²	134	66 Å²	66	72%	0.717	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	-2.8	-173.6	-51.3	-55.5	0	0	0	116.3	V35 N60	V35-N37 PolarHBondContact O-N 3.21Å; V35-N37 VanDerWaalsContact O-N 3.1Å; N37-N60 PolarHBondContact O-ND2 3.44Å
38	V	74	Confident	78	Confident	47 Å²	47	64.7 Å²	64.7	29%	0.285	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.2	167.7	-177	0	0	0	0	109	S34 V35 E36 Y40	S34-V38 WeakPolarHBondContact CA-O 3.29Å; V35-V38 PolarHBondContact N-O 3.03Å; V35-V38 WeakPolarHBondContact O-CA 3.15Å; V35-V38 WeakPolarHBondContact O-CB 3.49Å; V35-V38 PolarHBondContact O-N 3.49Å; E36-V38 PolarHBondContact O-N 2.86Å; V38-Y40 HydrophobicContact CB-CE2 3.84Å; V38-Y40 HydrophobicContact CG1-CD2 4.28Å; V38-Y40 HydrophobicContact CG1-CE2 3.6Å
39	L	83.2	Confident	77.5	Confident	26 Å²	26	66.4 Å²	66.4	14%	0.136	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.9	-179.9	176.6	67.4	0	0	0	110.7	C32 V41 P57 F61 Y62 H63	C32-L39 HydrophobicContact CB-CD1 4.09Å; L39-V41 HydrophobicContact CD2-CG2 4.25Å; L39-V41 HydrophobicContact CG-CG2 4.06Å; L39-P57 HydrophobicContact CD2-CB 3.5Å; L39-P57 HydrophobicContact CD2-CG 3.57Å; L39-F61 PolarHBondContact N-O 3.27Å; L39-Y62 CarbonylContact O-C 3.29Å; L39-Y62 WeakPolarHBondContact O-CA 3.36Å; L39-Y62 WeakPolarHBondContact O-CB 3.46Å; L39-H63 PolarHBondContact O-N 3.18Å
40	Y	84.1	Confident	77.3	Confident	97 Å²	97	70.4 Å²	70.4	38%	0.38	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.3	175.7	-65.2	-94.7	0	0	0	108.8	C32 V33 V35 V38 H63	C32-Y40 WeakPolarHBondContact CA-O 3.35Å; V33-Y40 PolarHBondContact N-O 3.15Å; V33-Y40 PolarHBondContact O-N 3.21Å; V35-Y40 HydrophobicContact CB-CD2 4.3Å; V35-Y40 HydrophobicContact CB-CE2 4.02Å; V35-Y40 HydrophobicContact CG2-CD2 4.27Å; V35-Y40 HydrophobicContact CG2-CE2 4.41Å; V38-Y40 HydrophobicContact CB-CE2 3.84Å; V38-Y40 HydrophobicContact CG1-CD2 4.28Å; V38-Y40 HydrophobicContact CG1-CE2 3.6Å; Y40-H63 HydrophobicContact CD1-CB 3.73Å; Y40-H63 HydrophobicContact CE1-CB 3.97Å; Y40-H63 AromaticContact CE1-CD2 3.81Å; Y40-H63 AromaticContact CE1-CG 3.72Å
41	V	87	Confident	77.2	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.018	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.8	-176.1	-175.2	0	0	0	0	108.6	I26 C30 L39 P57 H63 L64 N65	I26-V41 HydrophobicContact CD1-CG1 3.8Å; I26-V41 HydrophobicContact CG1-CG1 3.72Å; I26-V41 HydrophobicContact CG2-CG1 4.05Å; C30-V41 HydrophobicContact CB-CG1 4.06Å; L39-V41 HydrophobicContact CD2-CG2 4.25Å; L39-V41 HydrophobicContact CG-CG2 4.06Å; V41-P57 HydrophobicContact CG2-CG 4.21Å; V41-H63 PolarHBondContact N-O 2.89Å; V41-L64 HydrophobicContact CB-CD2 4Å; V41-L64 HydrophobicContact CG1-CD2 4.37Å; V41-L64 HydrophobicContact CG2-CD2 4.23Å; V41-N65 PolarHBondContact O-N 3.17Å
42	N	85.2	Confident	76.7	Confident	61 Å²	61	70.9 Å²	70.9	33%	0.326	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	103.3	-178	-164.3	15.8	0	0	0	112.2	C30 S31 E44 N65	C30-N42 WeakPolarHBondContact CB-O 3.25Å; S31-N42 PolarHBondContact N-O 2.68Å; S31-N42 PolarHBondContact O-N 3.11Å; N42-E44 WeakPolarHBondContact OD1-CB 3.44Å; N42-E44 PolarHBondContact OD1-N 3.38Å; N42-N65 PolarHBondContact OD1-ND2 3.2Å
43	C	84.3	Confident	76.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.368	C	S	.	.			trans	-100.8	20.4	176.4	-60.5	0	0	0	0	112.7	C30 V46 V48 N65 F66 N69	C30-C43 HydrophobicContact CB-CB 3.9Å; C30-C43 WeakPolarHBondContact CB-SG 3.24Å; C30-C43 WeakPolarHBondContact SG-CA 3.42Å; C30-C43 WeakPolarHBondContact SG-CB 3.22Å; C30-C43 CovalentContact SG-SG 2.03Å; C30-C43 PolarHBondContact SG-SG 3.42Å; C43-V46 WeakPolarHBondContact O-CG2 3.47Å; C43-V46 PolarHBondContact O-N 3.5Å; C43-V48 HydrophobicContact CB-CG2 4.47Å; C43-N65 WeakPolarHBondContact CA-O 3.23Å; C43-N65 VanDerWaalsContact CB-O 3.29Å; C43-N65 WeakPolarHBondContact CB-O 3.49Å; C43-N65 PolarHBondContact N-O 3.16Å; C43-F66 HydrophobicContact CB-CD1 3.49Å; C43-F66 VanDerWaalsContact CB-CD1 3.49Å; C43-F66 HydrophobicContact CB-CE1 3.61Å; C43-F66 HydrophobicContact CB-CG 4.34Å; C43-F66 WeakPolarHBondContact SG-CE1 3.47Å; C43-N69 PolarHBondContact O-ND2 2.85Å
44	E	82.1	Confident	76	Confident	54 Å²	54	70.2 Å²	70.2	25%	0.252	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	134.1	-176.7	-165.9	-159.2	156.4	0	0	112.7	N42 V46 Q67 N68	N42-E44 WeakPolarHBondContact OD1-CB 3.44Å; N42-E44 PolarHBondContact OD1-N 3.38Å; E44-V46 WeakPolarHBondContact O-CG2 3.21Å; E44-V46 PolarHBondContact O-N 3.38Å; E44-Q67 WeakPolarHBondContact CA-O 3.35Å; E44-Q67 HydrophobicContact CG-CB 4.45Å; E44-Q67 WeakPolarHBondContact CG-O 3.47Å; E44-N68 HydrophobicContact CG-CB 3.84Å; E44-N68 PolarHBondContact OE1-ND2 2.78Å
45	K	71.7	Confident	75.9	Confident	97 Å²	97	70.8 Å²	70.8	42%	0.422	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	8	-178.9	-62	173.3	177	92	0	116.1	S47 N68 E570	K45-S47 PolarHBondContact O-N 3.24Å; K45-S47 VanDerWaalsContact O-N 3.12Å; K45-N68 WeakPolarHBondContact CA-O 3.43Å; K45-N68 HydrophobicContact CG-CB 3.75Å; K45-N68 PolarHBondContact N-O 2.81Å; K45-N68 PolarHBondContact NZ-ND2 2.84Å; K45-E570 WeakPolarHBondContact CE-OE1 3.39Å; K45-E570 IonicContact NZ-OE1 3.15Å; K45-E570 PolarHBondContact NZ-OE1 2.99Å; K45-E570 IonicContact NZ-OE2 2.65Å; K45-E570 PolarHBondContact NZ-OE2 2.96Å
46	V	73.4	Confident	75.9	Confident	57 Å²	57	68.3 Å²	68.3	35%	0.345	33%	0.328	S	S	.	.	S	Bend	trans	-73.4	-0.3	-178	-177.3	0	0	0	0	113.4	V29 C43 E44 V48 N69	V29-V46 HydrophobicContact CG1-CG1 3.63Å; C43-V46 WeakPolarHBondContact O-CG2 3.47Å; C43-V46 PolarHBondContact O-N 3.5Å; E44-V46 WeakPolarHBondContact O-CG2 3.21Å; E44-V46 PolarHBondContact O-N 3.38Å; V46-V48 VanDerWaalsContact C-N 3.31Å; V46-V48 HydrophobicContact CB-CG2 4.12Å; V46-V48 HydrophobicContact CG1-CG2 4.14Å; V46-V48 PolarHBondContact O-N 3.31Å; V46-N69 PolarHBondContact N-OD1 3.16Å
47	S	68.9	Low	76.3	Confident	52 Å²	52	60.2 Å²	60.2	36%	0.364	29%	0.291	S	S	.	.			trans	60.3	38.3	-176.3	-56.6	0	0	0	0	113	K45 Y49 N69	K45-S47 PolarHBondContact O-N 3.24Å; K45-S47 VanDerWaalsContact O-N 3.12Å; S47-Y49 WeakPolarHBondContact O-CD2 3.39Å; S47-Y49 WeakPolarHBondContact O-CE2 3.23Å; S47-Y49 PolarHBondContact O-N 3.34Å; S47-Y49 VanDerWaalsContact O-N 3.07Å; S47-N69 WeakPolarHBondContact CA-OD1 3.38Å; S47-N69 PolarHBondContact N-OD1 3.27Å
48	V	68.4	Low	76	Confident	13 Å²	13	62.8 Å²	62.8	8%	0.079	29%	0.291	C	S	.	.			trans	-72.4	101.7	175.2	179.2	0	0	0	0	108.8	C43 V46 P51 L54 F66 N69 L71	C43-V48 HydrophobicContact CB-CG2 4.47Å; V46-V48 VanDerWaalsContact C-N 3.31Å; V46-V48 HydrophobicContact CB-CG2 4.12Å; V46-V48 HydrophobicContact CG1-CG2 4.14Å; V46-V48 PolarHBondContact O-N 3.31Å; V48-P51 HydrophobicContact CG1-CG 4.34Å; V48-L54 HydrophobicContact CG1-CD1 3.97Å; V48-L54 HydrophobicContact CG2-CD1 4.36Å; V48-F66 HydrophobicContact CB-CD1 4.43Å; V48-F66 HydrophobicContact CG1-CD1 4.33Å; V48-F66 HydrophobicContact CG1-CE1 4.1Å; V48-F66 HydrophobicContact CG2-CE1 4.47Å; V48-N69 PolarHBondContact N-OD1 3.5Å; V48-L71 WeakPolarHBondContact O-CD2 3.38Å
49	Y	65.3	Low	75.5	Confident	152 Å²	152	65.1 Å²	65.1	60%	0.596	31%	0.309	S	S	*	.	S	Bend	trans	-80.4	-22	176	-62.3	-76	0	0	0	113.5	S47 F70	S47-Y49 WeakPolarHBondContact O-CD2 3.39Å; S47-Y49 WeakPolarHBondContact O-CE2 3.23Å; S47-Y49 PolarHBondContact O-N 3.34Å; S47-Y49 VanDerWaalsContact O-N 3.07Å; Y49-F70 HydrophobicContact CD1-CB 4.3Å; Y49-F70 HydrophobicContact CE1-CB 3.82Å
50	R	71.6	Confident	74.8	Confident	143 Å²	143	67.5 Å²	67.5	54%	0.54	32%	0.322	S	S	.	.			trans	-148.3	103.4	-176.6	-67.3	-172.8	177.2	174	-1.3	111.4	N52 Q53	R50-N52 WeakPolarHBondContact CB-OD1 3.18Å; R50-N52 PolarHBondContact O-N 3.38Å; R50-Q53 HydrophobicContact CB-CG 4.45Å; R50-Q53 PolarHBondContact O-N 3.13Å
51	P	78.5	Confident	74.7	Confident	3 Å²	3	69 Å²	69	2%	0.019	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62	-22.5	179.6	-26.3	35.4	0	0	0	114.9	V48 Q53 L54 F66 L71 T78 F79	V48-P51 HydrophobicContact CG1-CG 4.34Å; P51-Q53 PolarHBondContact O-N 3.27Å; P51-L54 WeakPolarHBondContact O-CB 3.49Å; P51-L54 PolarHBondContact O-N 2.91Å; P51-L54 VanDerWaalsContact O-N 3.14Å; P51-F66 HydrophobicContact CB-CE1 4.48Å; P51-F66 HydrophobicContact CB-CZ 4.19Å; P51-L71 HydrophobicContact CG-CD2 4.32Å; P51-T78 HydrophobicContact CB-CG2 3.89Å; P51-T78 HydrophobicContact CG-CG2 3.91Å; P51-F79 HydrophobicContact CB-CD1 4.27Å; P51-F79 HydrophobicContact CB-CE1 3.65Å; P51-F79 HydrophobicContact CB-CZ 4.16Å; P51-F79 HydrophobicContact CG-CE1 3.97Å; P51-F79 HydrophobicContact CG-CZ 3.99Å
52	N	73.3	Confident	74.7	Confident	91 Å²	91	68.9 Å²	68.9	49%	0.487	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-67.4	-13.8	-178.1	72.1	-19.1	0	0	0	114.8	R50 L54 T78	R50-N52 WeakPolarHBondContact CB-OD1 3.18Å; R50-N52 PolarHBondContact O-N 3.38Å; N52-L54 VanDerWaalsContact C-N 3.31Å; N52-T78 WeakPolarHBondContact CB-O 3.44Å
53	Q	72.8	Confident	74.9	Confident	90 Å²	90	67.7 Å²	67.7	42%	0.421	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-81.7	-10.5	175.5	-63	-175.7	-63.4	0	0	112.9	S23 V24 R50 P51	S23-Q53 WeakPolarHBondContact CA-O 3.4Å; V24-Q53 PolarHBondContact N-O 2.99Å; R50-Q53 HydrophobicContact CB-CG 4.45Å; R50-Q53 PolarHBondContact O-N 3.13Å; P51-Q53 PolarHBondContact O-N 3.27Å
54	L	78.1	Confident	75.1	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.4	-178.3	-60.8	166.9	0	0	0	110.7	V24 I26 V29 V48 P51 N52 F66 F82	V24-L54 CarbonylContact O-C 3.59Å; V24-L54 WeakPolarHBondContact O-CA 3.41Å; I26-L54 HydrophobicContact CB-CB 4.29Å; I26-L54 HydrophobicContact CD1-CB 4.21Å; I26-L54 HydrophobicContact CD1-CD1 3.97Å; I26-L54 HydrophobicContact CG1-CB 4.26Å; I26-L54 HydrophobicContact CG1-CD1 4.1Å; I26-L54 HydrophobicContact CG1-CD2 4.5Å; V29-L54 HydrophobicContact CB-CD2 4.15Å; V29-L54 HydrophobicContact CG1-CD2 4.17Å; V29-L54 HydrophobicContact CG2-CD2 4.18Å; V48-L54 HydrophobicContact CG1-CD1 3.97Å; V48-L54 HydrophobicContact CG2-CD1 4.36Å; P51-L54 WeakPolarHBondContact O-CB 3.49Å; P51-L54 PolarHBondContact O-N 2.91Å; P51-L54 VanDerWaalsContact O-N 3.14Å; N52-L54 VanDerWaalsContact C-N 3.31Å; L54-F66 HydrophobicContact CD1-CE1 3.77Å; L54-F66 HydrophobicContact CD1-CZ 4.06Å; L54-F82 HydrophobicContact CB-CZ 4.19Å; L54-F82 WeakPolarHBondContact O-CZ 3.48Å
55	K	78	Confident	75.4	Confident	92 Å²	92	66.4 Å²	66.4	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.1	171.7	-78.7	173.5	-178.3	132.6	0	110.8	S23 V24 I26	S23-K55 WeakPolarHBondContact O-CD 3.43Å; S23-K55 WeakPolarHBondContact O-CE 3.24Å; S23-K55 PolarHBondContact O-NZ 3.13Å; S23-K55 VanDerWaalsContact OG-CE 3.27Å; S23-K55 WeakPolarHBondContact OG-CE 3.07Å; S23-K55 PolarHBondContact OG-NZ 2.82Å; V24-K55 PolarHBondContact O-N 3.06Å; I26-K55 WeakPolarHBondContact CB-O 3.11Å; I26-K55 WeakPolarHBondContact CG2-O 3.5Å; I26-K55 PolarHBondContact N-O 2.81Å
56	P	76	Confident	76.3	Confident	26 Å²	26	61.8 Å²	61.8	17%	0.169	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-72.8	159.1	-178.4	32.7	-39	0	0	0	112.5	Y62 N81 F82	P56-Y62 WeakPolarHBondContact CB-OH 3.43Å; P56-N81 HydrophobicContact CG-CB 3.99Å; P56-N81 WeakPolarHBondContact CG-O 3.37Å; P56-F82 HydrophobicContact CB-CD1 3.78Å; P56-F82 HydrophobicContact CB-CE1 3.84Å; P56-F82 HydrophobicContact CB-CG 4.33Å; P56-F82 HydrophobicContact CB-CZ 4.43Å
57	P	75.4	Confident	76.9	Confident	13 Å²	13	61 Å²	61	8%	0.084	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-61.7	141.2	168.2	-19.3	32.5	0	0	0	111.8	I26 L39 V41 S59 Y62	I26-P57 HydrophobicContact CG2-CG 3.97Å; L39-P57 HydrophobicContact CD2-CB 3.5Å; L39-P57 HydrophobicContact CD2-CG 3.57Å; V41-P57 HydrophobicContact CG2-CG 4.21Å; P57-S59 PolarHBondContact O-N 3Å; P57-Y62 HydrophobicContact CB-CD1 3.95Å; P57-Y62 HydrophobicContact CB-CE1 4.01Å; P57-Y62 HydrophobicContact CG-CD1 3.81Å; P57-Y62 HydrophobicContact CG-CE1 3.91Å; P57-Y62 HydrophobicContact CG-CG 4.29Å
58	W	64.2	Low	77.7	Confident	188 Å²	188	59.8 Å²	59.8	71%	0.712	28%	0.279	S	S	*	.	S	Bend	trans	-72.4	-27.5	-159.3	-77.1	-72	0	0	0	117.8	E25	E25-W58 VanDerWaalsContact CD-CH2 3.43Å; E25-W58 HydrophobicContact CG-CH2 3.99Å; E25-W58 HydrophobicContact CG-CZ3 4.26Å; E25-W58 VanDerWaalsContact OE1-CZ3 3.29Å; E25-W58 WeakPolarHBondContact OE1-CZ3 3.37Å; E25-W58 WeakPolarHBondContact OE2-CH2 3.45Å
59	S	63	Low	78.5	Confident	96 Å²	96	59.4 Å²	59.4	67%	0.671	28%	0.277	S	S	*	.	S	Bend	trans	-159	5.5	-171.5	59.8	0	0	0	0	119.1	P57	P57-S59 PolarHBondContact O-N 3Å
60	N	70	Confident	79.4	Confident	76 Å²	76	57.1 Å²	57.1	41%	0.406	27%	0.27	S	S	.	.	S	Bend	trans	-108.7	160.8	178.2	-73.3	13.3	0	0	0	111.5	N37 Y62 H84	N37-N60 PolarHBondContact O-ND2 3.44Å; N60-Y62 WeakPolarHBondContact O-CD1 3.38Å; N60-H84 WeakPolarHBondContact O-CB 3.2Å
61	F	81.9	Confident	80.1	Confident	128 Å²	128	50.4 Å²	50.4	56%	0.561	25%	0.245	S	C	*	.			trans	-68.7	140.2	162.8	-71.9	-69.9	0	0	0	110.5	L39 H84 V86 A108	L39-F61 PolarHBondContact N-O 3.27Å; F61-H84 WeakPolarHBondContact CA-O 3.21Å; F61-H84 HydrophobicContact CD1-CB 4.4Å; F61-V86 HydrophobicContact CB-CG2 3.82Å; F61-V86 HydrophobicContact CD1-CG2 3.6Å; F61-V86 HydrophobicContact CG-CG2 4.02Å; F61-A108 HydrophobicContact CD1-CB 4.45Å; F61-A108 HydrophobicContact CE1-CB 4.03Å
62	Y	86.6	Confident	80.6	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.4	-177.3	49.3	-104.8	0	0	0	114.7	L39 P56 P57 N60 L64 F82 H84 A85 V86	L39-Y62 CarbonylContact O-C 3.29Å; L39-Y62 WeakPolarHBondContact O-CA 3.36Å; L39-Y62 WeakPolarHBondContact O-CB 3.46Å; P56-Y62 WeakPolarHBondContact CB-OH 3.43Å; P57-Y62 HydrophobicContact CB-CD1 3.95Å; P57-Y62 HydrophobicContact CB-CE1 4.01Å; P57-Y62 HydrophobicContact CG-CD1 3.81Å; P57-Y62 HydrophobicContact CG-CE1 3.91Å; P57-Y62 HydrophobicContact CG-CG 4.29Å; N60-Y62 WeakPolarHBondContact O-CD1 3.38Å; Y62-L64 HydrophobicContact CD2-CD1 4.47Å; Y62-L64 HydrophobicContact CD2-CD2 3.6Å; Y62-L64 HydrophobicContact CD2-CG 3.84Å; Y62-L64 HydrophobicContact CE2-CD1 4.08Å; Y62-L64 HydrophobicContact CE2-CD2 3.74Å; Y62-L64 HydrophobicContact CE2-CG 3.93Å; Y62-F82 HydrophobicContact CE2-CD1 4.05Å; Y62-F82 WeakPolarHBondContact OH-CA 3.43Å; Y62-H84 HydrophobicContact CD1-CB 4.43Å; Y62-H84 HydrophobicContact CE1-CB 3.9Å; Y62-H84 PolarHBondContact N-O 3.09Å; Y62-H84 VanDerWaalsContact N-O 3.15Å; Y62-A85 HydrophobicContact CD2-CB 4.12Å; Y62-A85 HydrophobicContact CE2-CB 3.71Å; Y62-A85 CarbonylContact O-C 3.24Å; Y62-A85 WeakPolarHBondContact O-CA 3.49Å; Y62-V86 PolarHBondContact O-N 2.81Å
63	H	88.4	Confident	81.4	Confident	35 Å²	35	53 Å²	53	16%	0.162	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.7	173.2	-64.7	-114	0	0	0	108.7	L39 Y40 V41 S87	L39-H63 PolarHBondContact O-N 3.18Å; Y40-H63 HydrophobicContact CD1-CB 3.73Å; Y40-H63 HydrophobicContact CE1-CB 3.97Å; Y40-H63 AromaticContact CE1-CD2 3.81Å; Y40-H63 AromaticContact CE1-CG 3.72Å; V41-H63 PolarHBondContact N-O 2.89Å; H63-S87 VanDerWaalsContact ND1-CB 3.31Å; H63-S87 WeakPolarHBondContact ND1-CB 3.3Å
64	L	89.5	Confident	82.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.9	-179.6	-61	177.6	0	0	0	110.2	I26 V41 Y62 F66 F82 A85 S87 L88 H89	I26-L64 HydrophobicContact CD1-CD2 4.38Å; V41-L64 HydrophobicContact CB-CD2 4Å; V41-L64 HydrophobicContact CG1-CD2 4.37Å; V41-L64 HydrophobicContact CG2-CD2 4.23Å; Y62-L64 HydrophobicContact CD2-CD1 4.47Å; Y62-L64 HydrophobicContact CD2-CD2 3.6Å; Y62-L64 HydrophobicContact CD2-CG 3.84Å; Y62-L64 HydrophobicContact CE2-CD1 4.08Å; Y62-L64 HydrophobicContact CE2-CD2 3.74Å; Y62-L64 HydrophobicContact CE2-CG 3.93Å; L64-F66 HydrophobicContact CB-CD2 4.32Å; L64-F66 HydrophobicContact CB-CE2 4.07Å; L64-F66 HydrophobicContact CD1-CE2 4.23Å; L64-F82 HydrophobicContact CD1-CB 4.27Å; L64-F82 HydrophobicContact CD1-CD1 3.72Å; L64-F82 HydrophobicContact CD1-CE1 4.37Å; L64-F82 HydrophobicContact CD1-CG 4.16Å; L64-F82 HydrophobicContact CD2-CD1 4.29Å; L64-F82 HydrophobicContact CD2-CE1 4.44Å; L64-A85 HydrophobicContact CD1-CB 3.89Å; L64-A85 HydrophobicContact CG-CB 4.27Å; L64-S87 PolarHBondContact N-O 2.64Å; L64-L88 HydrophobicContact CB-CD1 3.92Å; L64-L88 HydrophobicContact CD1-CD1 4.3Å; L64-L88 WeakPolarHBondContact O-CA 3.46Å; L64-H89 PolarHBondContact O-N 2.99Å
65	N	88.6	Confident	82.9	Confident	26 Å²	26	53.3 Å²	53.3	14%	0.139	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.1	168.9	-172	18.7	0	0	0	111.7	V41 N42 C43 Q67 H89	V41-N65 PolarHBondContact O-N 3.17Å; N42-N65 PolarHBondContact OD1-ND2 3.2Å; C43-N65 WeakPolarHBondContact CA-O 3.23Å; C43-N65 VanDerWaalsContact CB-O 3.29Å; C43-N65 WeakPolarHBondContact CB-O 3.49Å; C43-N65 PolarHBondContact N-O 3.16Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.43Å; N65-Q67 WeakPolarHBondContact OD1-CG 3.3Å; N65-Q67 PolarHBondContact OD1-N 2.92Å; N65-Q67 PolarHBondContact OD1-OE1 3.4Å; N65-H89 HydrophobicContact CB-CB 4.45Å; N65-H89 WeakPolarHBondContact OD1-CB 3.43Å
66	F	89.3	Confident	83.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.			trans	-118.4	20.6	172.2	-69	-77.4	0	0	0	112	I26 C43 V48 P51 L54 L64 N69 L71 F79 L88 H89 L90 N93	I26-F66 HydrophobicContact CD1-CZ 3.92Å; C43-F66 HydrophobicContact CB-CD1 3.49Å; C43-F66 VanDerWaalsContact CB-CD1 3.49Å; C43-F66 HydrophobicContact CB-CE1 3.61Å; C43-F66 HydrophobicContact CB-CG 4.34Å; C43-F66 WeakPolarHBondContact SG-CE1 3.47Å; V48-F66 HydrophobicContact CB-CD1 4.43Å; V48-F66 HydrophobicContact CG1-CD1 4.33Å; V48-F66 HydrophobicContact CG1-CE1 4.1Å; V48-F66 HydrophobicContact CG2-CE1 4.47Å; P51-F66 HydrophobicContact CB-CE1 4.48Å; P51-F66 HydrophobicContact CB-CZ 4.19Å; L54-F66 HydrophobicContact CD1-CE1 3.77Å; L54-F66 HydrophobicContact CD1-CZ 4.06Å; L64-F66 HydrophobicContact CB-CD2 4.32Å; L64-F66 HydrophobicContact CB-CE2 4.07Å; L64-F66 HydrophobicContact CD1-CE2 4.23Å; F66-N69 PolarHBondContact O-ND2 3.45Å; F66-N69 VanDerWaalsContact O-ND2 3.07Å; F66-L71 HydrophobicContact CB-CD1 4.47Å; F66-F79 HydrophobicContact CD2-CE1 4.44Å; F66-F79 HydrophobicContact CE2-CE1 4.06Å; F66-L88 HydrophobicContact CD2-CD1 3.82Å; F66-L88 HydrophobicContact CE2-CD1 4.27Å; F66-H89 CarbonylContact C-O 3.27Å; F66-H89 WeakPolarHBondContact CA-O 3.37Å; F66-H89 PolarHBondContact N-O 3.01Å; F66-L90 HydrophobicContact CB-CD2 3.93Å; F66-N93 PolarHBondContact O-ND2 3.46Å
67	Q	87.9	Confident	84	Confident	41 Å²	41	54.2 Å²	54.2	19%	0.192	27%	0.266	C	S	.	.			trans	-58.4	161.9	176.7	-74.4	170.7	-26.6	0	0	112.9	E44 N65 N69 H89 G91	E44-Q67 WeakPolarHBondContact CA-O 3.35Å; E44-Q67 HydrophobicContact CG-CB 4.45Å; E44-Q67 WeakPolarHBondContact CG-O 3.47Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.43Å; N65-Q67 WeakPolarHBondContact OD1-CG 3.3Å; N65-Q67 PolarHBondContact OD1-N 2.92Å; N65-Q67 PolarHBondContact OD1-OE1 3.4Å; Q67-N69 VanDerWaalsContact C-N 3.26Å; Q67-N69 PolarHBondContact O-N 3.47Å; Q67-N69 PolarHBondContact O-ND2 3.04Å; Q67-H89 HydrophobicContact CG-CB 3.96Å; Q67-G91 VanDerWaalsContact CA-O 3.23Å; Q67-G91 WeakPolarHBondContact CA-O 3.33Å; Q67-G91 WeakPolarHBondContact CG-O 3.1Å
68	N	84.8	Confident	84.5	Confident	26 Å²	26	54 Å²	54	14%	0.139	27%	0.265	C	S	.	.	S	Bend	trans	53.2	40.2	175.3	-67.3	-40	0	0	0	113.3	E44 K45 G91 N92 E557	E44-N68 HydrophobicContact CG-CB 3.84Å; E44-N68 PolarHBondContact OE1-ND2 2.78Å; K45-N68 WeakPolarHBondContact CA-O 3.43Å; K45-N68 HydrophobicContact CG-CB 3.75Å; K45-N68 PolarHBondContact N-O 2.81Å; K45-N68 PolarHBondContact NZ-ND2 2.84Å; N68-G91 PolarHBondContact N-O 2.96Å; N68-N92 WeakPolarHBondContact CA-O 3.29Å; N68-N92 PolarHBondContact N-O 3.25Å; N68-N92 WeakPolarHBondContact OD1-CB 3.33Å; N68-N92 PolarHBondContact OD1-ND2 3.35Å; N68-E557 PolarHBondContact ND2-OE1 3.35Å; N68-E557 PolarHBondContact OD1-OE1 3.18Å
69	N	84.8	Confident	85.7	Confident	5 Å²	5	45 Å²	45	3%	0.027	23%	0.231	C	C	.	.	S	Bend	trans	-115.5	176.4	175.7	-83.6	-79.3	0	0	0	111.3	C43 V46 S47 V48 F66 Q67 L71 N93	C43-N69 PolarHBondContact O-ND2 2.85Å; V46-N69 PolarHBondContact N-OD1 3.16Å; S47-N69 WeakPolarHBondContact CA-OD1 3.38Å; S47-N69 PolarHBondContact N-OD1 3.27Å; V48-N69 PolarHBondContact N-OD1 3.5Å; F66-N69 PolarHBondContact O-ND2 3.45Å; F66-N69 VanDerWaalsContact O-ND2 3.07Å; Q67-N69 VanDerWaalsContact C-N 3.26Å; Q67-N69 PolarHBondContact O-N 3.47Å; Q67-N69 PolarHBondContact O-ND2 3.04Å; N69-L71 HydrophobicContact CB-CG 4.48Å; N69-N93 WeakPolarHBondContact CA-OD1 3.35Å; N69-N93 VanDerWaalsContact CB-OD1 3.23Å; N69-N93 WeakPolarHBondContact CB-OD1 3.36Å; N69-N93 PolarHBondContact O-OD1 3.02Å
70	F	84.3	Confident	86.8	Confident	105 Å²	105	44.6 Å²	44.6	46%	0.461	22%	0.22	S	C	.	.			trans	-101.4	39	-179.7	-59.1	-69.2	0	0	0	112.7	Y49 N72	Y49-F70 HydrophobicContact CD1-CB 4.3Å; Y49-F70 HydrophobicContact CE1-CB 3.82Å; F70-N72 PolarHBondContact O-N 3.45Å
71	L	87.4	Confident	87.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.227	C	C	.	.			trans	-72.9	120.4	173.6	-61.5	169.7	0	0	0	109.5	V48 P51 F66 N69 L74 L90 N93 K94 L95	V48-L71 WeakPolarHBondContact O-CD2 3.38Å; P51-L71 HydrophobicContact CG-CD2 4.32Å; F66-L71 HydrophobicContact CB-CD1 4.47Å; N69-L71 HydrophobicContact CB-CG 4.48Å; L71-L74 HydrophobicContact CD1-CD2 4.46Å; L71-L90 HydrophobicContact CD1-CD2 3.6Å; L71-N93 HydrophobicContact CB-CB 4.33Å; L71-N93 VanDerWaalsContact CB-OD1 3.26Å; L71-N93 WeakPolarHBondContact CB-OD1 3.4Å; L71-N93 WeakPolarHBondContact CG-OD1 3.34Å; L71-N93 PolarHBondContact N-OD1 2.91Å; L71-K94 CarbonylContact O-C 3.12Å; L71-K94 WeakPolarHBondContact O-CA 3.3Å; L71-K94 PolarHBondContact O-N 3.1Å; L71-K94 VanDerWaalsContact O-N 3.09Å; L71-L95 HydrophobicContact CB-CD2 3.69Å; L71-L95 HydrophobicContact CB-CG 4.25Å; L71-L95 WeakPolarHBondContact O-CD2 3.38Å; L71-L95 PolarHBondContact O-N 3.32Å; L71-L95 VanDerWaalsContact O-N 3.1Å
72	N	88.4	Confident	87.6	Confident	88 Å²	88	39.8 Å²	39.8	47%	0.471	20%	0.2	S	C	.	.			trans	-103.3	-36.3	179.8	-63.4	-17.5	0	0	0	113	F70 K94 L95 Q96	F70-N72 PolarHBondContact O-N 3.45Å; N72-K94 WeakPolarHBondContact CA-O 3.39Å; N72-K94 WeakPolarHBondContact OD1-CB 3.28Å; N72-L95 WeakPolarHBondContact O-CA 3.49Å; N72-Q96 PolarHBondContact O-N 2.99Å
73	I	89.9	Confident	87.7	Confident	60 Å²	60	41.6 Å²	41.6	31%	0.308	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	135.9	-178.6	-57.5	177.9	0	0	0	108.2	Y75 N97 E99	I73-Y75 HydrophobicContact CB-CE2 4.47Å; I73-Y75 HydrophobicContact CG2-CD1 4.34Å; I73-Y75 HydrophobicContact CG2-CE1 4.01Å; I73-Y75 HydrophobicContact CG2-CE2 4.4Å; I73-N97 WeakPolarHBondContact CA-O 3.38Å; I73-E99 HydrophobicContact CG2-CG 4.31Å
74	L	91.9	Very high	87.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.9	166	-60.5	177.5	0	0	0	109.6	L71 T78 F79 L90 L95 N97 I98 E99 A102 F103	L71-L74 HydrophobicContact CD1-CD2 4.46Å; L74-T78 HydrophobicContact CD2-CG2 4.46Å; L74-F79 HydrophobicContact CD1-CE2 4.28Å; L74-F79 HydrophobicContact CD2-CE2 4.39Å; L74-L90 HydrophobicContact CD1-CD1 3.96Å; L74-L95 HydrophobicContact CD1-CD1 4.16Å; L74-L95 HydrophobicContact CD1-CD2 4.4Å; L74-L95 HydrophobicContact CD2-CD2 4.1Å; L74-L95 HydrophobicContact CG-CD1 4.39Å; L74-L95 HydrophobicContact CG-CD2 3.75Å; L74-N97 PolarHBondContact N-O 3.44Å; L74-I98 HydrophobicContact CB-CG2 4.28Å; L74-I98 HydrophobicContact CD1-CD1 4.43Å; L74-I98 HydrophobicContact CD1-CG1 4.16Å; L74-I98 HydrophobicContact CD1-CG2 4.39Å; L74-E99 WeakPolarHBondContact O-CB 3.4Å; L74-E99 PolarHBondContact O-N 3Å; L74-A102 HydrophobicContact CB-CB 3.84Å; L74-F103 HydrophobicContact CD1-CE1 4Å; L74-F103 HydrophobicContact CD1-CZ 4.14Å
75	Y	89.6	Confident	87.7	Confident	109 Å²	109	43.5 Å²	43.5	43%	0.427	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-88.3	159.7	179.5	-67.1	-72	0	0	0	111.7	I73 T78 E99 A102	I73-Y75 HydrophobicContact CB-CE2 4.47Å; I73-Y75 HydrophobicContact CG2-CD1 4.34Å; I73-Y75 HydrophobicContact CG2-CE1 4.01Å; I73-Y75 HydrophobicContact CG2-CE2 4.4Å; Y75-T78 PolarHBondContact N-OG1 3.03Å; Y75-T78 WeakPolarHBondContact O-CB 3.39Å; Y75-T78 PolarHBondContact O-N 2.83Å; Y75-T78 PolarHBondContact O-OG1 2.88Å; Y75-E99 WeakPolarHBondContact CD1-OE2 3.33Å; Y75-A102 VanDerWaalsContact O-CA 3.27Å; Y75-A102 WeakPolarHBondContact O-CA 3.19Å; Y75-A102 WeakPolarHBondContact O-CB 3.49Å
76	P	89.3	Confident	87.7	Confident	59 Å²	59	43.4 Å²	43.4	38%	0.383	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	144.8	176	-24.1	35.4	0	0	0	111.7	T78 E99 G100	P76-T78 PolarHBondContact O-N 3.08Å; P76-T78 VanDerWaalsContact O-N 3.15Å; P76-E99 WeakPolarHBondContact CD-OE2 3.5Å; P76-E99 HydrophobicContact CG-CB 4.08Å; P76-G100 WeakPolarHBondContact CB-O 3.44Å; P76-G100 WeakPolarHBondContact CG-O 3.39Å
77	N	88.1	Confident	87.9	Confident	77 Å²	77	43.4 Å²	43.4	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	15.3	179.6	-49.8	-46.1	0	0	0	115.3	F79 L80 G101 L104	N77-F79 PolarHBondContact O-N 3.45Å; N77-F79 VanDerWaalsContact O-N 3.08Å; N77-L80 HydrophobicContact CB-CB 4.18Å; N77-L80 HydrophobicContact CB-CD2 4.42Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 3.47Å; N77-L80 VanDerWaalsContact O-N 3.12Å; N77-G101 PolarHBondContact N-O 3.08Å; N77-L104 WeakPolarHBondContact OD1-CD2 3.09Å
78	T	87.1	Confident	88.1	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.055	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.2	179.4	-71	0	0	0	0	112.6	P51 N52 L74 Y75 P76 A102	P51-T78 HydrophobicContact CB-CG2 3.89Å; P51-T78 HydrophobicContact CG-CG2 3.91Å; N52-T78 WeakPolarHBondContact CB-O 3.44Å; L74-T78 HydrophobicContact CD2-CG2 4.46Å; Y75-T78 PolarHBondContact N-OG1 3.03Å; Y75-T78 WeakPolarHBondContact O-CB 3.39Å; Y75-T78 PolarHBondContact O-N 2.83Å; Y75-T78 PolarHBondContact O-OG1 2.88Å; P76-T78 PolarHBondContact O-N 3.08Å; P76-T78 VanDerWaalsContact O-N 3.15Å; T78-A102 PolarHBondContact N-O 2.94Å
79	F	88.9	Confident	88.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	21.4	-178.1	-61	-76.1	0	0	0	114.5	P51 F66 L74 N77 N81 F82 L88 L90 F103 L104 L106	P51-F79 HydrophobicContact CB-CD1 4.27Å; P51-F79 HydrophobicContact CB-CE1 3.65Å; P51-F79 HydrophobicContact CB-CZ 4.16Å; P51-F79 HydrophobicContact CG-CE1 3.97Å; P51-F79 HydrophobicContact CG-CZ 3.99Å; F66-F79 HydrophobicContact CD2-CE1 4.44Å; F66-F79 HydrophobicContact CE2-CE1 4.06Å; L74-F79 HydrophobicContact CD1-CE2 4.28Å; L74-F79 HydrophobicContact CD2-CE2 4.39Å; N77-F79 PolarHBondContact O-N 3.45Å; N77-F79 VanDerWaalsContact O-N 3.08Å; F79-N81 PolarHBondContact O-N 3.5Å; F79-F82 HydrophobicContact CB-CD2 4.39Å; F79-F82 HydrophobicContact CD1-CD2 4.24Å; F79-F82 PolarHBondContact O-N 2.86Å; F79-L88 HydrophobicContact CD1-CD2 4.49Å; F79-L88 HydrophobicContact CD2-CD2 4.29Å; F79-L88 HydrophobicContact CE1-CD1 4.14Å; F79-L88 HydrophobicContact CE1-CD2 4.22Å; F79-L88 HydrophobicContact CE2-CD2 4.01Å; F79-L88 HydrophobicContact CZ-CD1 4.27Å; F79-L88 HydrophobicContact CZ-CD2 3.97Å; F79-L90 HydrophobicContact CE2-CD1 4.37Å; F79-L90 HydrophobicContact CZ-CD1 4.24Å; F79-L90 HydrophobicContact CZ-CD2 4.27Å; F79-F103 HydrophobicContact CD2-CD1 4.01Å; F79-F103 HydrophobicContact CD2-CE1 4.5Å; F79-F103 HydrophobicContact CE2-CD1 4.16Å; F79-F103 HydrophobicContact CE2-CE1 4.19Å; F79-L104 CarbonylContact C-O 3.48Å; F79-L106 HydrophobicContact CB-CD1 3.67Å; F79-L106 HydrophobicContact CB-CD2 3.78Å; F79-L106 HydrophobicContact CB-CG 3.56Å; F79-L106 HydrophobicContact CD2-CD1 3.96Å; F79-L106 HydrophobicContact CG-CD1 3.86Å; F79-L106 HydrophobicContact CG-CD2 4.38Å; F79-L106 HydrophobicContact CG-CG 4.27Å
80	L	85.7	Confident	88.8	Confident	86 Å²	86	42.1 Å²	42.1	45%	0.45	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-37.1	-170.3	-171.6	64.2	0	0	0	114.9	N77 L104	N77-L80 HydrophobicContact CB-CB 4.18Å; N77-L80 HydrophobicContact CB-CD2 4.42Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 3.47Å; N77-L80 VanDerWaalsContact O-N 3.12Å; L80-L104 VanDerWaalsContact CA-O 3.28Å; L80-L104 WeakPolarHBondContact CA-O 3.03Å; L80-L104 HydrophobicContact CD1-CD2 4.34Å; L80-L104 PolarHBondContact N-O 3.32Å
81	N	83.2	Confident	89	Confident	102 Å²	102	37.1 Å²	37.1	55%	0.545	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.1	-175.7	-59.1	-30.4	0	0	0	113.8	P56 F79 S83	P56-N81 HydrophobicContact CG-CB 3.99Å; P56-N81 WeakPolarHBondContact CG-O 3.37Å; F79-N81 PolarHBondContact O-N 3.5Å; N81-S83 VanDerWaalsContact C-N 3.28Å; N81-S83 PolarHBondContact O-N 2.78Å; N81-S83 VanDerWaalsContact O-N 3.16Å
82	F	86.9	Confident	89	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.202	C	C	.	.			trans	-90.7	40.2	-169.8	-69.9	-89.7	0	0	0	113.4	I26 L54 P56 Y62 L64 F79 H84 A85 L106	I26-F82 HydrophobicContact CD1-CE1 3.91Å; I26-F82 HydrophobicContact CD1-CZ 4.25Å; L54-F82 HydrophobicContact CB-CZ 4.19Å; L54-F82 WeakPolarHBondContact O-CZ 3.48Å; P56-F82 HydrophobicContact CB-CD1 3.78Å; P56-F82 HydrophobicContact CB-CE1 3.84Å; P56-F82 HydrophobicContact CB-CG 4.33Å; P56-F82 HydrophobicContact CB-CZ 4.43Å; Y62-F82 HydrophobicContact CE2-CD1 4.05Å; Y62-F82 WeakPolarHBondContact OH-CA 3.43Å; L64-F82 HydrophobicContact CD1-CB 4.27Å; L64-F82 HydrophobicContact CD1-CD1 3.72Å; L64-F82 HydrophobicContact CD1-CE1 4.37Å; L64-F82 HydrophobicContact CD1-CG 4.16Å; L64-F82 HydrophobicContact CD2-CD1 4.29Å; L64-F82 HydrophobicContact CD2-CE1 4.44Å; F79-F82 HydrophobicContact CB-CD2 4.39Å; F79-F82 HydrophobicContact CD1-CD2 4.24Å; F79-F82 PolarHBondContact O-N 2.86Å; F82-H84 PolarHBondContact O-N 3.21Å; F82-A85 WeakPolarHBondContact O-CB 3.45Å; F82-A85 PolarHBondContact O-N 2.89Å; F82-L106 HydrophobicContact CB-CD2 3.75Å; F82-L106 WeakPolarHBondContact O-CD2 3.04Å
83	S	86.8	Confident	89	Confident	39 Å²	39	35 Å²	35	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22	-168.6	59.2	0	0	0	0	116.1	N81 G105 A108	N81-S83 VanDerWaalsContact C-N 3.28Å; N81-S83 PolarHBondContact O-N 2.78Å; N81-S83 VanDerWaalsContact O-N 3.16Å; S83-G105 VanDerWaalsContact CA-O 3.27Å; S83-G105 WeakPolarHBondContact CA-O 3.42Å; S83-A108 WeakPolarHBondContact O-CB 3.45Å; S83-A108 PolarHBondContact O-N 3.11Å
84	H	88	Confident	88.9	Confident	76 Å²	76	37 Å²	37	35%	0.352	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	9.6	180	-52.5	122	0	0	0	113.8	N60 F61 Y62 F82 V86	N60-H84 WeakPolarHBondContact O-CB 3.2Å; F61-H84 WeakPolarHBondContact CA-O 3.21Å; F61-H84 HydrophobicContact CD1-CB 4.4Å; Y62-H84 HydrophobicContact CD1-CB 4.43Å; Y62-H84 HydrophobicContact CE1-CB 3.9Å; Y62-H84 PolarHBondContact N-O 3.09Å; Y62-H84 VanDerWaalsContact N-O 3.15Å; F82-H84 PolarHBondContact O-N 3.21Å; H84-V86 PolarHBondContact O-N 2.75Å
85	A	89.8	Confident	89	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.3	172.2	0	0	0	0	0	111.1	Y62 L64 F82 L106 A108 L109	Y62-A85 HydrophobicContact CD2-CB 4.12Å; Y62-A85 HydrophobicContact CE2-CB 3.71Å; Y62-A85 CarbonylContact O-C 3.24Å; Y62-A85 WeakPolarHBondContact O-CA 3.49Å; L64-A85 HydrophobicContact CD1-CB 3.89Å; L64-A85 HydrophobicContact CG-CB 4.27Å; F82-A85 WeakPolarHBondContact O-CB 3.45Å; F82-A85 PolarHBondContact O-N 2.89Å; A85-L106 HydrophobicContact CB-CD2 3.78Å; A85-A108 CarbonylContact O-C 3.59Å; A85-A108 VanDerWaalsContact O-C 3.27Å; A85-L109 HydrophobicContact CB-CD1 4.32Å; A85-L109 VanDerWaalsContact O-CA 3.31Å; A85-L109 WeakPolarHBondContact O-CA 3.49Å; A85-L109 PolarHBondContact O-N 3.22Å
86	V	90.6	Very high	89	Confident	24 Å²	24	36.3 Å²	36.3	15%	0.145	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-39.1	178.4	-178.4	0	0	0	0	111.6	F61 Y62 H84 K110 Q111	F61-V86 HydrophobicContact CB-CG2 3.82Å; F61-V86 HydrophobicContact CD1-CG2 3.6Å; F61-V86 HydrophobicContact CG-CG2 4.02Å; Y62-V86 PolarHBondContact O-N 2.81Å; H84-V86 PolarHBondContact O-N 2.75Å; V86-K110 HydrophobicContact CG1-CB 4.33Å; V86-K110 HydrophobicContact CG1-CD 4.02Å; V86-K110 HydrophobicContact CG1-CG 4.45Å; V86-K110 PolarHBondContact O-N 3.46Å; V86-Q111 PolarHBondContact O-N 3.22Å; V86-Q111 VanDerWaalsContact O-N 3.13Å
87	S	91.6	Very high	89.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.4	169	-170.6	0	0	0	0	111.5	H63 L64 H89 Q111	H63-S87 VanDerWaalsContact ND1-CB 3.31Å; H63-S87 WeakPolarHBondContact ND1-CB 3.3Å; L64-S87 PolarHBondContact N-O 2.64Å; S87-H89 PolarHBondContact OG-CD2 2.8Å; S87-H89 PolarHBondContact OG-NE2 2.73Å; S87-Q111 WeakPolarHBondContact CA-O 3.29Å; S87-Q111 WeakPolarHBondContact OG-CB 3.24Å
88	L	93.6	Very high	89.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	113.9	174.5	175.9	56.9	0	0	0	109.6	L64 F66 F79 L90 F103 L106 L109 Q111 L112 H113	L64-L88 HydrophobicContact CB-CD1 3.92Å; L64-L88 HydrophobicContact CD1-CD1 4.3Å; L64-L88 WeakPolarHBondContact O-CA 3.46Å; F66-L88 HydrophobicContact CD2-CD1 3.82Å; F66-L88 HydrophobicContact CE2-CD1 4.27Å; F79-L88 HydrophobicContact CD1-CD2 4.49Å; F79-L88 HydrophobicContact CD2-CD2 4.29Å; F79-L88 HydrophobicContact CE1-CD1 4.14Å; F79-L88 HydrophobicContact CE1-CD2 4.22Å; F79-L88 HydrophobicContact CE2-CD2 4.01Å; F79-L88 HydrophobicContact CZ-CD1 4.27Å; F79-L88 HydrophobicContact CZ-CD2 3.97Å; L88-L90 HydrophobicContact CD1-CD1 4.17Å; L88-L90 HydrophobicContact CD1-CG 4.02Å; L88-L90 HydrophobicContact CD2-CD1 3.74Å; L88-L90 HydrophobicContact CD2-CG 4.48Å; L88-L90 HydrophobicContact CG-CD1 3.75Å; L88-L90 HydrophobicContact CG-CG 4Å; L88-F103 HydrophobicContact CD2-CD1 4.22Å; L88-F103 HydrophobicContact CD2-CE1 4.15Å; L88-L106 HydrophobicContact CD2-CD1 3.58Å; L88-L109 HydrophobicContact CB-CD1 3.72Å; L88-L109 HydrophobicContact CB-CD2 4.41Å; L88-Q111 PolarHBondContact N-O 3.41Å; L88-L112 HydrophobicContact CB-CD1 4.19Å; L88-L112 HydrophobicContact CD2-CD1 4.17Å; L88-L112 HydrophobicContact CG-CD1 4.13Å; L88-H113 PolarHBondContact O-N 3.02Å
89	H	91.7	Very high	89.5	Confident	45 Å²	45	35.2 Å²	35.2	21%	0.208	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.9	177.6	-58.4	-126	0	0	0	109.3	L64 N65 F66 Q67 S87 H113	L64-H89 PolarHBondContact O-N 2.99Å; N65-H89 HydrophobicContact CB-CB 4.45Å; N65-H89 WeakPolarHBondContact OD1-CB 3.43Å; F66-H89 CarbonylContact C-O 3.27Å; F66-H89 WeakPolarHBondContact CA-O 3.37Å; F66-H89 PolarHBondContact N-O 3.01Å; Q67-H89 HydrophobicContact CG-CB 3.96Å; S87-H89 PolarHBondContact OG-CD2 2.8Å; S87-H89 PolarHBondContact OG-NE2 2.73Å; H89-H113 AromaticContact CD2-CD2 3.86Å; H89-H113 AromaticContact CE1-CD2 3.56Å; H89-H113 AromaticContact CE1-NE2 3.59Å; H89-H113 AromaticContact CG-CD2 3.78Å; H89-H113 AromaticContact ND1-CD2 3.62Å; H89-H113 AromaticContact ND1-CG 3.95Å; H89-H113 AromaticContact NE2-CD2 3.72Å; H89-H113 AromaticContact NE2-NE2 3.81Å
90	L	92.4	Very high	89.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.			trans	-125.8	13.2	-178.6	-75.4	162.7	0	0	0	111.8	F66 L71 L74 F79 L88 N93 L95 F103 L112 H113 L114 N117	F66-L90 HydrophobicContact CB-CD2 3.93Å; L71-L90 HydrophobicContact CD1-CD2 3.6Å; L74-L90 HydrophobicContact CD1-CD1 3.96Å; F79-L90 HydrophobicContact CE2-CD1 4.37Å; F79-L90 HydrophobicContact CZ-CD1 4.24Å; F79-L90 HydrophobicContact CZ-CD2 4.27Å; L88-L90 HydrophobicContact CD1-CD1 4.17Å; L88-L90 HydrophobicContact CD1-CG 4.02Å; L88-L90 HydrophobicContact CD2-CD1 3.74Å; L88-L90 HydrophobicContact CD2-CG 4.48Å; L88-L90 HydrophobicContact CG-CD1 3.75Å; L88-L90 HydrophobicContact CG-CG 4Å; L90-N93 PolarHBondContact O-ND2 3.32Å; L90-L95 HydrophobicContact CB-CD1 4.26Å; L90-F103 HydrophobicContact CD1-CE1 3.95Å; L90-L112 HydrophobicContact CD1-CD1 4.31Å; L90-H113 CarbonylContact C-O 3.09Å; L90-H113 WeakPolarHBondContact CA-O 3.28Å; L90-H113 PolarHBondContact N-O 3.39Å; L90-L114 HydrophobicContact CB-CD2 3.96Å; L90-L114 HydrophobicContact CD1-CD2 4.09Å; L90-N117 PolarHBondContact O-ND2 2.91Å
91	G	89.1	Confident	89.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.			trans	-67.6	169	179.1	0	0	0	0	0	114.4	Q67 N68 N93 H113 N115	Q67-G91 VanDerWaalsContact CA-O 3.23Å; Q67-G91 WeakPolarHBondContact CA-O 3.33Å; Q67-G91 WeakPolarHBondContact CG-O 3.1Å; N68-G91 PolarHBondContact N-O 2.96Å; G91-N93 PolarHBondContact O-N 3.49Å; G91-N93 VanDerWaalsContact O-N 3.14Å; G91-N93 PolarHBondContact O-ND2 2.95Å; G91-H113 PolarHBondContact N-O 3.1Å; G91-N115 CarbonylContact C-O 3.5Å; G91-N115 WeakPolarHBondContact CA-O 3.26Å; G91-N115 WeakPolarHBondContact CA-OD1 3.24Å
92	N	87.1	Confident	89.9	Confident	36 Å²	36	27.4 Å²	27.4	19%	0.193	14%	0.142	C	C	.	.	S	Bend	trans	49.3	37.2	-176.6	-59.6	-9.9	0	0	0	113.2	N68 N115 N116 E557	N68-N92 WeakPolarHBondContact CA-O 3.29Å; N68-N92 PolarHBondContact N-O 3.25Å; N68-N92 WeakPolarHBondContact OD1-CB 3.33Å; N68-N92 PolarHBondContact OD1-ND2 3.35Å; N92-N115 PolarHBondContact N-O 3.03Å; N92-N116 VanDerWaalsContact CA-O 3.27Å; N92-N116 WeakPolarHBondContact CA-O 3.31Å; N92-N116 PolarHBondContact N-O 3.33Å; N92-N116 VanDerWaalsContact N-O 3.15Å; N92-N116 WeakPolarHBondContact OD1-CB 3.33Å; N92-N116 PolarHBondContact OD1-ND2 3.49Å; N92-E557 PolarHBondContact ND2-OE1 2.88Å
93	N	87.5	Confident	90.3	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	14%	0.142	C	C	.	.	S	Bend	trans	-106.9	-171.3	172.5	-86.3	-98.9	0	0	0	108.8	F66 N69 L71 L90 G91 L95 N117	F66-N93 PolarHBondContact O-ND2 3.46Å; N69-N93 WeakPolarHBondContact CA-OD1 3.35Å; N69-N93 VanDerWaalsContact CB-OD1 3.23Å; N69-N93 WeakPolarHBondContact CB-OD1 3.36Å; N69-N93 PolarHBondContact O-OD1 3.02Å; L71-N93 HydrophobicContact CB-CB 4.33Å; L71-N93 VanDerWaalsContact CB-OD1 3.26Å; L71-N93 WeakPolarHBondContact CB-OD1 3.4Å; L71-N93 WeakPolarHBondContact CG-OD1 3.34Å; L71-N93 PolarHBondContact N-OD1 2.91Å; L90-N93 PolarHBondContact O-ND2 3.32Å; G91-N93 PolarHBondContact O-N 3.49Å; G91-N93 VanDerWaalsContact O-N 3.14Å; G91-N93 PolarHBondContact O-ND2 2.95Å; N93-L95 HydrophobicContact CB-CD1 4.48Å; N93-L95 HydrophobicContact CB-CG 4.11Å; N93-N117 WeakPolarHBondContact CA-OD1 3.4Å; N93-N117 WeakPolarHBondContact CB-OD1 3.36Å; N93-N117 PolarHBondContact N-OD1 3.11Å; N93-N117 PolarHBondContact O-OD1 2.03Å
94	K	89.1	Confident	90.4	Very high	101 Å²	101	28.6 Å²	28.6	44%	0.439	15%	0.145	S	C	.	.			trans	-112.1	33.1	175.6	-66.1	-170.3	175.4	-170.9	0	111.5	L71 N72 Q96	L71-K94 CarbonylContact O-C 3.12Å; L71-K94 WeakPolarHBondContact O-CA 3.3Å; L71-K94 PolarHBondContact O-N 3.1Å; L71-K94 VanDerWaalsContact O-N 3.09Å; N72-K94 WeakPolarHBondContact CA-O 3.39Å; N72-K94 WeakPolarHBondContact OD1-CB 3.28Å; K94-Q96 PolarHBondContact O-N 3.09Å
95	L	92.3	Very high	90.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-66	108.8	-174.1	-68.7	173.1	0	0	0	109.9	L71 N72 L74 L90 N93 L114 N117 E118 L119	L71-L95 HydrophobicContact CB-CD2 3.69Å; L71-L95 HydrophobicContact CB-CG 4.25Å; L71-L95 WeakPolarHBondContact O-CD2 3.38Å; L71-L95 PolarHBondContact O-N 3.32Å; L71-L95 VanDerWaalsContact O-N 3.1Å; N72-L95 WeakPolarHBondContact O-CA 3.49Å; L74-L95 HydrophobicContact CD1-CD1 4.16Å; L74-L95 HydrophobicContact CD1-CD2 4.4Å; L74-L95 HydrophobicContact CD2-CD2 4.1Å; L74-L95 HydrophobicContact CG-CD1 4.39Å; L74-L95 HydrophobicContact CG-CD2 3.75Å; L90-L95 HydrophobicContact CB-CD1 4.26Å; N93-L95 HydrophobicContact CB-CD1 4.48Å; N93-L95 HydrophobicContact CB-CG 4.11Å; L95-L114 HydrophobicContact CD1-CD2 4.33Å; L95-N117 HydrophobicContact CB-CB 4.27Å; L95-N117 VanDerWaalsContact CB-OD1 3.26Å; L95-N117 WeakPolarHBondContact CB-OD1 3.47Å; L95-N117 WeakPolarHBondContact CG-OD1 3.19Å; L95-N117 PolarHBondContact N-OD1 2.86Å; L95-E118 CarbonylContact O-C 3.58Å; L95-E118 WeakPolarHBondContact O-CA 3.24Å; L95-E118 PolarHBondContact O-N 3.49Å; L95-L119 HydrophobicContact CB-CD2 3.96Å; L95-L119 HydrophobicContact CB-CG 4.46Å; L95-L119 VanDerWaalsContact O-CD2 3.31Å; L95-L119 WeakPolarHBondContact O-CD2 3.42Å; L95-L119 WeakPolarHBondContact O-CG 3.41Å; L95-L119 PolarHBondContact O-N 3.31Å
96	Q	91.3	Very high	90.3	Very high	96 Å²	96	26 Å²	26	45%	0.449	14%	0.138	S	C	.	.			trans	-92.3	-26.9	175	-69.9	-179.2	4	0	0	111.9	N72 K94 E118	N72-Q96 PolarHBondContact O-N 2.99Å; K94-Q96 PolarHBondContact O-N 3.09Å; Q96-E118 HydrophobicContact CG-CB 3.66Å; Q96-E118 WeakPolarHBondContact CG-OE2 3.28Å; Q96-E118 PolarHBondContact NE2-OE2 2.99Å
97	N	89.6	Confident	90.2	Very high	56 Å²	56	28 Å²	28	30%	0.299	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.6	-174.8	-170.1	45	0	0	0	112.2	I73 L74 R123	I73-N97 WeakPolarHBondContact CA-O 3.38Å; L74-N97 PolarHBondContact N-O 3.44Å; N97-R123 PolarHBondContact OD1-NH2 3.09Å
98	I	93.6	Very high	90.1	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.3	173.4	-59.5	173.5	0	0	0	107.3	L74 A102 F103 L114 L119 R123 T126	L74-I98 HydrophobicContact CB-CG2 4.28Å; L74-I98 HydrophobicContact CD1-CD1 4.43Å; L74-I98 HydrophobicContact CD1-CG1 4.16Å; L74-I98 HydrophobicContact CD1-CG2 4.39Å; I98-A102 HydrophobicContact CG2-CB 3.77Å; I98-F103 HydrophobicContact CD1-CE2 4.42Å; I98-F103 HydrophobicContact CD1-CZ 4.15Å; I98-F103 HydrophobicContact CG2-CE2 3.89Å; I98-F103 HydrophobicContact CG2-CZ 4.13Å; I98-L114 HydrophobicContact CD1-CD1 4.03Å; I98-L114 HydrophobicContact CD1-CD2 3.98Å; I98-L119 HydrophobicContact CD1-CD1 3.91Å; I98-L119 HydrophobicContact CD1-CD2 3.86Å; I98-L119 HydrophobicContact CG1-CD2 3.77Å; I98-R123 PolarHBondContact O-NH1 3.09Å; I98-R123 PolarHBondContact O-NH2 3.42Å; I98-T126 HydrophobicContact CB-CG2 4.09Å; I98-T126 HydrophobicContact CD1-CG2 4.43Å; I98-T126 HydrophobicContact CG2-CG2 3.96Å
99	E	90.9	Very high	90.2	Very high	61 Å²	61	29.1 Å²	29.1	29%	0.285	16%	0.163	S	C	.	.			trans	-69.9	154	-177.7	-64.9	-175.2	-173.7	0	0	111.7	I73 L74 Y75 P76 G101 A102	I73-E99 HydrophobicContact CG2-CG 4.31Å; L74-E99 WeakPolarHBondContact O-CB 3.4Å; L74-E99 PolarHBondContact O-N 3Å; Y75-E99 WeakPolarHBondContact CD1-OE2 3.33Å; P76-E99 WeakPolarHBondContact CD-OE2 3.5Å; P76-E99 HydrophobicContact CG-CB 4.08Å; E99-G101 PolarHBondContact O-N 2.85Å; E99-A102 VanDerWaalsContact O-CB 3.29Å; E99-A102 WeakPolarHBondContact O-CB 3.39Å; E99-A102 PolarHBondContact O-N 3.13Å
100	G	88.6	Confident	90.2	Very high	20 Å²	20	30.2 Å²	30.2	21%	0.206	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.2	-175.1	0	0	0	0	0	112.7	P76 A102 D125	P76-G100 WeakPolarHBondContact CB-O 3.44Å; P76-G100 WeakPolarHBondContact CG-O 3.39Å; G100-A102 VanDerWaalsContact C-N 3.3Å; G100-A102 PolarHBondContact O-N 2.8Å; G100-D125 WeakPolarHBondContact CA-OD2 3.33Å
101	G	86.9	Confident	90.2	Very high	5 Å²	5	32 Å²	32	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	21.9	-177.1	0	0	0	0	0	114.9	N77 E99 F103 L104 D125	N77-G101 PolarHBondContact N-O 3.08Å; E99-G101 PolarHBondContact O-N 2.85Å; G101-F103 PolarHBondContact O-N 2.82Å; G101-L104 VanDerWaalsContact O-CB 3.24Å; G101-L104 WeakPolarHBondContact O-CB 3.49Å; G101-L104 PolarHBondContact O-N 3.2Å; G101-D125 PolarHBondContact N-O 2.7Å
102	A	91.4	Very high	90.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34	170.1	0	0	0	0	0	113	L74 Y75 T78 I98 E99 G100 L104	L74-A102 HydrophobicContact CB-CB 3.84Å; Y75-A102 VanDerWaalsContact O-CA 3.27Å; Y75-A102 WeakPolarHBondContact O-CA 3.19Å; Y75-A102 WeakPolarHBondContact O-CB 3.49Å; T78-A102 PolarHBondContact N-O 2.94Å; I98-A102 HydrophobicContact CG2-CB 3.77Å; E99-A102 VanDerWaalsContact O-CB 3.29Å; E99-A102 WeakPolarHBondContact O-CB 3.39Å; E99-A102 PolarHBondContact O-N 3.13Å; G100-A102 VanDerWaalsContact C-N 3.3Å; G100-A102 PolarHBondContact O-N 2.8Å; A102-L104 VanDerWaalsContact C-N 3.34Å
103	F	93.5	Very high	90.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8.5	176.4	-55.9	-56.4	0	0	0	114.1	L74 F79 L88 L90 I98 G101 G105 L106 L112 L114 T126 F127 I130	L74-F103 HydrophobicContact CD1-CE1 4Å; L74-F103 HydrophobicContact CD1-CZ 4.14Å; F79-F103 HydrophobicContact CD2-CD1 4.01Å; F79-F103 HydrophobicContact CD2-CE1 4.5Å; F79-F103 HydrophobicContact CE2-CD1 4.16Å; F79-F103 HydrophobicContact CE2-CE1 4.19Å; L88-F103 HydrophobicContact CD2-CD1 4.22Å; L88-F103 HydrophobicContact CD2-CE1 4.15Å; L90-F103 HydrophobicContact CD1-CE1 3.95Å; I98-F103 HydrophobicContact CD1-CE2 4.42Å; I98-F103 HydrophobicContact CD1-CZ 4.15Å; I98-F103 HydrophobicContact CG2-CE2 3.89Å; I98-F103 HydrophobicContact CG2-CZ 4.13Å; G101-F103 PolarHBondContact O-N 2.82Å; F103-G105 PolarHBondContact O-N 2.86Å; F103-L106 HydrophobicContact CB-CD1 3.99Å; F103-L106 HydrophobicContact CD1-CD1 3.79Å; F103-L106 HydrophobicContact CG-CD1 4.33Å; F103-L106 WeakPolarHBondContact O-CB 3.46Å; F103-L106 PolarHBondContact O-N 2.66Å; F103-L112 HydrophobicContact CD2-CD2 4.44Å; F103-L112 HydrophobicContact CE1-CD1 4.22Å; F103-L112 HydrophobicContact CE1-CD2 4.39Å; F103-L112 HydrophobicContact CE2-CD2 3.96Å; F103-L112 HydrophobicContact CZ-CD1 4.29Å; F103-L112 HydrophobicContact CZ-CD2 3.93Å; F103-L114 HydrophobicContact CZ-CD2 4.37Å; F103-T126 VanDerWaalsContact CD2-O 3.25Å; F103-T126 WeakPolarHBondContact CD2-O 3.43Å; F103-F127 HydrophobicContact CD2-CD1 4.42Å; F103-F127 HydrophobicContact CE2-CD1 4.16Å; F103-F127 HydrophobicContact CE2-CE1 4.46Å; F103-I130 HydrophobicContact CB-CD1 4.43Å; F103-I130 HydrophobicContact CB-CG2 3.83Å; F103-I130 HydrophobicContact CD2-CD1 4.11Å; F103-I130 HydrophobicContact CG-CD1 4.38Å
104	L	90.3	Very high	91.2	Very high	66 Å²	66	30.8 Å²	30.8	35%	0.346	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	133.1	174.8	-158.5	81	0	0	0	109.6	N77 F79 L80 G101 A102	N77-L104 WeakPolarHBondContact OD1-CD2 3.09Å; F79-L104 CarbonylContact C-O 3.48Å; L80-L104 VanDerWaalsContact CA-O 3.28Å; L80-L104 WeakPolarHBondContact CA-O 3.03Å; L80-L104 HydrophobicContact CD1-CD2 4.34Å; L80-L104 PolarHBondContact N-O 3.32Å; G101-L104 VanDerWaalsContact O-CB 3.24Å; G101-L104 WeakPolarHBondContact O-CB 3.49Å; G101-L104 PolarHBondContact O-N 3.2Å; A102-L104 VanDerWaalsContact C-N 3.34Å
105	G	84.8	Confident	91.3	Very high	20 Å²	20	27.1 Å²	27.1	21%	0.206	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-27.6	-174.5	0	0	0	0	0	114.5	S83 F103 S107	S83-G105 VanDerWaalsContact CA-O 3.27Å; S83-G105 WeakPolarHBondContact CA-O 3.42Å; F103-G105 PolarHBondContact O-N 2.86Å; G105-S107 PolarHBondContact O-N 3.19Å
106	L	91	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.			trans	-76.6	49.3	-176.2	-67.6	173.6	0	0	0	113.7	F79 F82 A85 L88 F103 A108 L109 I130	F79-L106 HydrophobicContact CB-CD1 3.67Å; F79-L106 HydrophobicContact CB-CD2 3.78Å; F79-L106 HydrophobicContact CB-CG 3.56Å; F79-L106 HydrophobicContact CD2-CD1 3.96Å; F79-L106 HydrophobicContact CG-CD1 3.86Å; F79-L106 HydrophobicContact CG-CD2 4.38Å; F79-L106 HydrophobicContact CG-CG 4.27Å; F82-L106 HydrophobicContact CB-CD2 3.75Å; F82-L106 WeakPolarHBondContact O-CD2 3.04Å; A85-L106 HydrophobicContact CB-CD2 3.78Å; L88-L106 HydrophobicContact CD2-CD1 3.58Å; F103-L106 HydrophobicContact CB-CD1 3.99Å; F103-L106 HydrophobicContact CD1-CD1 3.79Å; F103-L106 HydrophobicContact CG-CD1 4.33Å; F103-L106 WeakPolarHBondContact O-CB 3.46Å; F103-L106 PolarHBondContact O-N 2.66Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.89Å; L106-L109 HydrophobicContact CB-CB 4.14Å; L106-L109 HydrophobicContact CB-CD2 4.48Å; L106-L109 HydrophobicContact CD1-CD2 4.26Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.32Å; L106-L109 PolarHBondContact O-N 2.84Å; L106-L109 VanDerWaalsContact O-N 3.12Å; L106-I130 HydrophobicContact CB-CG2 3.64Å; L106-I130 HydrophobicContact CD1-CG2 4.48Å
107	S	88	Confident	91.2	Very high	67 Å²	67	27 Å²	27	47%	0.469	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.9	-169.3	60.4	0	0	0	0	114.9	G105 N132	G105-S107 PolarHBondContact O-N 3.19Å; S107-N132 PolarHBondContact O-ND2 3.06Å
108	A	89.8	Confident	91.5	Very high	23 Å²	23	27.2 Å²	27.2	19%	0.19	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.9	175.5	0	0	0	0	0	114.9	F61 S83 A85 L106 K110	F61-A108 HydrophobicContact CD1-CB 4.45Å; F61-A108 HydrophobicContact CE1-CB 4.03Å; S83-A108 WeakPolarHBondContact O-CB 3.45Å; S83-A108 PolarHBondContact O-N 3.11Å; A85-A108 CarbonylContact O-C 3.59Å; A85-A108 VanDerWaalsContact O-C 3.27Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.89Å; A108-K110 PolarHBondContact O-N 3.23Å
109	L	94.7	Very high	91.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.			trans	-67.6	127.4	-168.7	-163.9	77.8	0	0	0	112.5	A85 L88 L106 Q111 L112 I130 N132 L133	A85-L109 HydrophobicContact CB-CD1 4.32Å; A85-L109 VanDerWaalsContact O-CA 3.31Å; A85-L109 WeakPolarHBondContact O-CA 3.49Å; A85-L109 PolarHBondContact O-N 3.22Å; L88-L109 HydrophobicContact CB-CD1 3.72Å; L88-L109 HydrophobicContact CB-CD2 4.41Å; L106-L109 HydrophobicContact CB-CB 4.14Å; L106-L109 HydrophobicContact CB-CD2 4.48Å; L106-L109 HydrophobicContact CD1-CD2 4.26Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.32Å; L106-L109 PolarHBondContact O-N 2.84Å; L106-L109 VanDerWaalsContact O-N 3.12Å; L109-Q111 WeakPolarHBondContact CD1-O 3.47Å; L109-L112 HydrophobicContact CD2-CB 4.2Å; L109-I130 HydrophobicContact CB-CG2 4.12Å; L109-I130 HydrophobicContact CD2-CB 4.4Å; L109-I130 HydrophobicContact CD2-CD1 4.32Å; L109-I130 HydrophobicContact CD2-CG2 3.8Å; L109-N132 CarbonylContact O-C 3.57Å; L109-N132 VanDerWaalsContact O-C 3.24Å; L109-L133 HydrophobicContact CD2-CD1 3.99Å; L109-L133 HydrophobicContact CG-CD1 4.16Å; L109-L133 WeakPolarHBondContact O-CA 3.4Å; L109-L133 PolarHBondContact O-N 3.17Å
110	K	92.3	Very high	91.6	Very high	69 Å²	69	29.2 Å²	29.2	30%	0.3	16%	0.163	S	C	.	.			trans	-109.9	-32.5	176.1	-73.3	174.7	172.2	-94.9	0	113	V86 A108 L133 E134 Y135 Y824	V86-K110 HydrophobicContact CG1-CB 4.33Å; V86-K110 HydrophobicContact CG1-CD 4.02Å; V86-K110 HydrophobicContact CG1-CG 4.45Å; V86-K110 PolarHBondContact O-N 3.46Å; A108-K110 PolarHBondContact O-N 3.23Å; K110-L133 WeakPolarHBondContact O-CD1 3.31Å; K110-E134 IonicContact NZ-OE1 2.78Å; K110-E134 PolarHBondContact NZ-OE1 2.96Å; K110-E134 PolarHBondContact O-N 3.48Å; K110-Y135 PolarHBondContact O-N 3.11Å; K110-Y824 PolarHBondContact NZ-OH 3.25Å
111	Q	92.9	Very high	91.8	Very high	37 Å²	37	32 Å²	32	17%	0.173	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.1	-173.6	-70.7	168.8	-18.3	0	0	110.4	V86 S87 L88 L109	V86-Q111 PolarHBondContact O-N 3.22Å; V86-Q111 VanDerWaalsContact O-N 3.13Å; S87-Q111 WeakPolarHBondContact CA-O 3.29Å; S87-Q111 WeakPolarHBondContact OG-CB 3.24Å; L88-Q111 PolarHBondContact N-O 3.41Å; L109-Q111 WeakPolarHBondContact CD1-O 3.47Å
112	L	95.8	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	118.8	177	177.9	56.9	0	0	0	110.1	L88 L90 F103 L109 L114 F127 I130 L133 Y135 L136 Q137	L88-L112 HydrophobicContact CB-CD1 4.19Å; L88-L112 HydrophobicContact CD2-CD1 4.17Å; L88-L112 HydrophobicContact CG-CD1 4.13Å; L90-L112 HydrophobicContact CD1-CD1 4.31Å; F103-L112 HydrophobicContact CD2-CD2 4.44Å; F103-L112 HydrophobicContact CE1-CD1 4.22Å; F103-L112 HydrophobicContact CE1-CD2 4.39Å; F103-L112 HydrophobicContact CE2-CD2 3.96Å; F103-L112 HydrophobicContact CZ-CD1 4.29Å; F103-L112 HydrophobicContact CZ-CD2 3.93Å; L109-L112 HydrophobicContact CD2-CB 4.2Å; L112-L114 HydrophobicContact CD1-CD2 4.35Å; L112-L114 HydrophobicContact CD1-CG 4.26Å; L112-L114 HydrophobicContact CD2-CD1 4.21Å; L112-L114 HydrophobicContact CG-CD1 4.29Å; L112-L114 HydrophobicContact CG-CG 4.16Å; L112-F127 HydrophobicContact CD2-CD1 4.2Å; L112-F127 HydrophobicContact CD2-CE1 4.21Å; L112-I130 HydrophobicContact CD2-CD1 3.67Å; L112-L133 HydrophobicContact CB-CD1 3.7Å; L112-L133 HydrophobicContact CB-CD2 4.28Å; L112-Y135 PolarHBondContact N-O 3Å; L112-Y135 VanDerWaalsContact N-O 3.09Å; L112-L136 HydrophobicContact CB-CD1 4.13Å; L112-L136 HydrophobicContact CD2-CD1 3.98Å; L112-L136 HydrophobicContact CG-CD1 4.02Å; L112-Q137 PolarHBondContact O-N 2.9Å
113	H	92.6	Very high	92.3	Very high	21 Å²	21	34.1 Å²	34.1	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.5	179.3	-52.2	-100.7	0	0	0	110	L88 H89 L90 G91 Y135 Q137	L88-H113 PolarHBondContact O-N 3.02Å; H89-H113 AromaticContact CD2-CD2 3.86Å; H89-H113 AromaticContact CE1-CD2 3.56Å; H89-H113 AromaticContact CE1-NE2 3.59Å; H89-H113 AromaticContact CG-CD2 3.78Å; H89-H113 AromaticContact ND1-CD2 3.62Å; H89-H113 AromaticContact ND1-CG 3.95Å; H89-H113 AromaticContact NE2-CD2 3.72Å; H89-H113 AromaticContact NE2-NE2 3.81Å; L90-H113 CarbonylContact C-O 3.09Å; L90-H113 WeakPolarHBondContact CA-O 3.28Å; L90-H113 PolarHBondContact N-O 3.39Å; G91-H113 PolarHBondContact N-O 3.1Å; H113-Y135 AromaticContact CE1-CE1 3.35Å; H113-Y135 WeakPolarHBondContact CE1-CE1 3.42Å; H113-Y135 AromaticContact ND1-CE1 3.67Å; H113-Q137 PolarHBondContact ND1-OE1 3.34Å
114	L	94.9	Very high	92.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.			trans	-113.2	13.1	177.5	-65.2	168.9	0	0	0	112	L90 L95 I98 F103 L112 N117 L119 F127 L136 Q137 A138 N141	L90-L114 HydrophobicContact CB-CD2 3.96Å; L90-L114 HydrophobicContact CD1-CD2 4.09Å; L95-L114 HydrophobicContact CD1-CD2 4.33Å; I98-L114 HydrophobicContact CD1-CD1 4.03Å; I98-L114 HydrophobicContact CD1-CD2 3.98Å; F103-L114 HydrophobicContact CZ-CD2 4.37Å; L112-L114 HydrophobicContact CD1-CD2 4.35Å; L112-L114 HydrophobicContact CD1-CG 4.26Å; L112-L114 HydrophobicContact CD2-CD1 4.21Å; L112-L114 HydrophobicContact CG-CD1 4.29Å; L112-L114 HydrophobicContact CG-CG 4.16Å; L114-N117 PolarHBondContact O-ND2 3.44Å; L114-L119 HydrophobicContact CB-CD1 4.29Å; L114-L119 HydrophobicContact CD1-CD1 4.34Å; L114-F127 HydrophobicContact CD1-CE1 4.13Å; L114-L136 HydrophobicContact CD1-CD1 4.4Å; L114-Q137 PolarHBondContact N-O 3.4Å; L114-A138 HydrophobicContact CB-CB 4.15Å; L114-N141 PolarHBondContact O-ND2 3.31Å
115	N	91.2	Very high	92.3	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.123	20%	0.2	C	C	.	.			trans	-55.1	145	-174.9	68.1	-73.5	0	0	0	113.5	G91 N92 N117 Q137 D139	G91-N115 CarbonylContact C-O 3.5Å; G91-N115 WeakPolarHBondContact CA-O 3.26Å; G91-N115 WeakPolarHBondContact CA-OD1 3.24Å; N92-N115 PolarHBondContact N-O 3.03Å; N115-N117 PolarHBondContact O-ND2 3.31Å; N115-Q137 HydrophobicContact CB-CG 4.16Å; N115-D139 CarbonylContact C-O 3.16Å; N115-D139 WeakPolarHBondContact CA-O 3.38Å; N115-D139 WeakPolarHBondContact CB-OD1 3.49Å
116	N	89.7	Confident	92.6	Very high	82 Å²	82	35.8 Å²	35.8	44%	0.439	19%	0.191	S	C	.	.	S	Bend	trans	55	67	176	-164.2	35.5	0	0	0	112.5	N92 D139 Y140	N92-N116 VanDerWaalsContact CA-O 3.27Å; N92-N116 WeakPolarHBondContact CA-O 3.31Å; N92-N116 PolarHBondContact N-O 3.33Å; N92-N116 VanDerWaalsContact N-O 3.15Å; N92-N116 WeakPolarHBondContact OD1-CB 3.33Å; N92-N116 PolarHBondContact OD1-ND2 3.49Å; N116-D139 PolarHBondContact N-O 3.48Å; N116-Y140 WeakPolarHBondContact CA-O 3.38Å; N116-Y140 PolarHBondContact N-O 3.49Å
117	N	93.1	Very high	92.8	Very high	11 Å²	11	36 Å²	36	6%	0.059	19%	0.192	C	C	.	.	S	Bend	trans	-139.8	179.9	-179.9	-90.3	-74.6	0	0	0	110	L90 N93 L95 L114 N115 L119 Y140 N141	L90-N117 PolarHBondContact O-ND2 2.91Å; N93-N117 WeakPolarHBondContact CA-OD1 3.4Å; N93-N117 WeakPolarHBondContact CB-OD1 3.36Å; N93-N117 PolarHBondContact N-OD1 3.11Å; N93-N117 PolarHBondContact O-OD1 2.03Å; L95-N117 HydrophobicContact CB-CB 4.27Å; L95-N117 VanDerWaalsContact CB-OD1 3.26Å; L95-N117 WeakPolarHBondContact CB-OD1 3.47Å; L95-N117 WeakPolarHBondContact CG-OD1 3.19Å; L95-N117 PolarHBondContact N-OD1 2.86Å; L114-N117 PolarHBondContact O-ND2 3.44Å; N115-N117 PolarHBondContact O-ND2 3.31Å; N117-L119 HydrophobicContact CB-CG 4.34Å; N117-Y140 PolarHBondContact N-O 2.99Å; N117-N141 VanDerWaalsContact C-OD1 3.24Å; N117-N141 WeakPolarHBondContact CB-OD1 3.39Å; N117-N141 WeakPolarHBondContact O-CA 3.09Å; N117-N141 PolarHBondContact O-OD1 3.34Å
118	E	95	Very high	92.9	Very high	62 Å²	62	36.5 Å²	36.5	29%	0.29	19%	0.189	S	C	.	.			trans	-103.6	21.7	-176	-62.8	-176.5	-157.2	0	0	113.4	L95 Q96 K120 L142	L95-E118 CarbonylContact O-C 3.58Å; L95-E118 WeakPolarHBondContact O-CA 3.24Å; L95-E118 PolarHBondContact O-N 3.49Å; Q96-E118 HydrophobicContact CG-CB 3.66Å; Q96-E118 WeakPolarHBondContact CG-OE2 3.28Å; Q96-E118 PolarHBondContact NE2-OE2 2.99Å; E118-K120 PolarHBondContact O-N 2.98Å; E118-L142 HydrophobicContact CB-CD1 4.43Å
119	L	95	Very high	92.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.19	C	C	.	.			trans	-66.9	130.6	-172.7	-60.9	172.4	0	0	0	111.1	L95 I98 L114 N117 N141 L142 I143	L95-L119 HydrophobicContact CB-CD2 3.96Å; L95-L119 HydrophobicContact CB-CG 4.46Å; L95-L119 VanDerWaalsContact O-CD2 3.31Å; L95-L119 WeakPolarHBondContact O-CD2 3.42Å; L95-L119 WeakPolarHBondContact O-CG 3.41Å; L95-L119 PolarHBondContact O-N 3.31Å; I98-L119 HydrophobicContact CD1-CD1 3.91Å; I98-L119 HydrophobicContact CD1-CD2 3.86Å; I98-L119 HydrophobicContact CG1-CD2 3.77Å; L114-L119 HydrophobicContact CB-CD1 4.29Å; L114-L119 HydrophobicContact CD1-CD1 4.34Å; N117-L119 HydrophobicContact CB-CG 4.34Å; L119-N141 VanDerWaalsContact CB-OD1 3.23Å; L119-N141 WeakPolarHBondContact CB-OD1 3.36Å; L119-N141 VanDerWaalsContact CG-OD1 3.3Å; L119-N141 WeakPolarHBondContact CG-OD1 3.37Å; L119-N141 PolarHBondContact N-OD1 3.06Å; L119-L142 CarbonylContact O-C 3.48Å; L119-L142 VanDerWaalsContact O-CA 3.24Å; L119-L142 WeakPolarHBondContact O-CA 3.46Å; L119-L142 WeakPolarHBondContact O-CB 3.49Å; L119-L142 PolarHBondContact O-N 3.48Å; L119-I143 HydrophobicContact CB-CG1 4.2Å; L119-I143 WeakPolarHBondContact O-CG1 3.49Å; L119-I143 PolarHBondContact O-N 2.82Å
120	K	92.6	Very high	92.7	Very high	103 Å²	103	36.4 Å²	36.4	45%	0.448	19%	0.19	S	C	.	.			trans	-105.6	-25.2	-174.6	-65.4	169.8	-170.3	167.8	0	114.6	E118 L142 K144	E118-K120 PolarHBondContact O-N 2.98Å; K120-L142 HydrophobicContact CG-CB 4.09Å; K120-K144 PolarHBondContact O-N 3.38Å
121	I	93.1	Very high	92.7	Very high	79 Å²	79	37 Å²	37	41%	0.405	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.1	-175.3	-55.6	179.7	0	0	0	108.7	R123 Y145	I121-R123 HydrophobicContact CG2-CG 4.08Å; I121-Y145 WeakPolarHBondContact CA-O 3.35Å; I121-Y145 HydrophobicContact CG1-CD2 4.45Å
122	L	94.4	Very high	92.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.5	163.6	-62.5	-176.8	0	0	0	108.9	F127 I143 Y145 I146 E147 F151 L162	L122-F127 HydrophobicContact CD1-CE2 4.25Å; L122-F127 HydrophobicContact CD1-CZ 4.25Å; L122-F127 HydrophobicContact CD2-CE2 4.33Å; L122-F127 HydrophobicContact CD2-CZ 3.95Å; L122-I143 HydrophobicContact CD1-CD1 4.02Å; L122-I143 HydrophobicContact CD2-CD1 4.05Å; L122-I143 HydrophobicContact CG-CD1 3.93Å; L122-I143 HydrophobicContact CG-CG1 4.35Å; L122-I143 HydrophobicContact CG-CG2 4.09Å; L122-Y145 PolarHBondContact N-O 3.01Å; L122-Y145 VanDerWaalsContact N-O 3.07Å; L122-I146 HydrophobicContact CB-CG1 4.34Å; L122-I146 HydrophobicContact CB-CG2 4.39Å; L122-I146 HydrophobicContact CD1-CD1 4.37Å; L122-I146 HydrophobicContact CD1-CG1 4.33Å; L122-E147 PolarHBondContact O-N 2.97Å; L122-F151 HydrophobicContact CD1-CE1 4.26Å; L122-F151 HydrophobicContact CD1-CZ 4.19Å; L122-L162 HydrophobicContact CD1-CD2 4.38Å
123	R	93.6	Very high	92.6	Very high	49 Å²	49	38.1 Å²	38.1	19%	0.185	20%	0.201	C	C	.	.			trans	-89.4	161.8	-177.3	-72	-168.3	-101.9	79.9	9.9	112.6	N97 I98 I121 D125 T126 E147	N97-R123 PolarHBondContact OD1-NH2 3.09Å; I98-R123 PolarHBondContact O-NH1 3.09Å; I98-R123 PolarHBondContact O-NH2 3.42Å; I121-R123 HydrophobicContact CG2-CG 4.08Å; R123-D125 WeakPolarHBondContact CB-OD1 3.31Å; R123-D125 IonicContact CZ-OD1 2.91Å; R123-D125 IonicContact NH1-OD1 3.84Å; R123-D125 PolarHBondContact NH1-OD1 2.98Å; R123-D125 IonicContact NH1-OD2 3.31Å; R123-D125 PolarHBondContact O-N 3.49Å; R123-D125 VanDerWaalsContact O-N 3.16Å; R123-T126 PolarHBondContact N-OG1 2.85Å; R123-T126 WeakPolarHBondContact O-CB 3.45Å; R123-T126 PolarHBondContact O-N 3.37Å; R123-T126 PolarHBondContact O-OG1 3.16Å; R123-E147 WeakPolarHBondContact CA-OE2 3.05Å; R123-E147 VanDerWaalsContact CB-OE2 3.3Å; R123-E147 WeakPolarHBondContact CB-OE2 3.04Å; R123-E147 HydrophobicContact CG-CG 4.48Å
124	A	91.4	Very high	92.6	Very high	55 Å²	55	38 Å²	38	46%	0.455	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.5	176.5	0	0	0	0	0	113.5	E147	A124-E147 HydrophobicContact CB-CB 4.39Å; A124-E147 PolarHBondContact N-OE2 3.3Å
125	D	91.8	Very high	92.5	Very high	63 Å²	63	39 Å²	39	34%	0.337	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-6.6	-178.5	65.3	-8.8	0	0	0	114.4	G100 G101 R123 F127 L128	G100-D125 WeakPolarHBondContact CA-OD2 3.33Å; G101-D125 PolarHBondContact N-O 2.7Å; R123-D125 WeakPolarHBondContact CB-OD1 3.31Å; R123-D125 IonicContact CZ-OD1 2.91Å; R123-D125 IonicContact NH1-OD1 3.84Å; R123-D125 PolarHBondContact NH1-OD1 2.98Å; R123-D125 IonicContact NH1-OD2 3.31Å; R123-D125 PolarHBondContact O-N 3.49Å; R123-D125 VanDerWaalsContact O-N 3.16Å; D125-F127 PolarHBondContact O-N 3.38Å; D125-L128 VanDerWaalsContact O-CB 3.29Å; D125-L128 WeakPolarHBondContact O-CB 3.44Å; D125-L128 PolarHBondContact O-N 2.63Å
126	T	92.7	Very high	92.7	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-44	-173.7	-66.1	0	0	0	0	112.2	I98 F103 R123	I98-T126 HydrophobicContact CB-CG2 4.09Å; I98-T126 HydrophobicContact CD1-CG2 4.43Å; I98-T126 HydrophobicContact CG2-CG2 3.96Å; F103-T126 VanDerWaalsContact CD2-O 3.25Å; F103-T126 WeakPolarHBondContact CD2-O 3.43Å; R123-T126 PolarHBondContact N-OG1 2.85Å; R123-T126 WeakPolarHBondContact O-CB 3.45Å; R123-T126 PolarHBondContact O-N 3.37Å; R123-T126 PolarHBondContact O-OG1 3.16Å
127	F	93.3	Very high	92.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	23	-176.5	-51.4	-69.8	0	0	0	113.4	F103 L112 L114 L122 D125 G129 I130 L136 F151 L154	F103-F127 HydrophobicContact CD2-CD1 4.42Å; F103-F127 HydrophobicContact CE2-CD1 4.16Å; F103-F127 HydrophobicContact CE2-CE1 4.46Å; L112-F127 HydrophobicContact CD2-CD1 4.2Å; L112-F127 HydrophobicContact CD2-CE1 4.21Å; L114-F127 HydrophobicContact CD1-CE1 4.13Å; L122-F127 HydrophobicContact CD1-CE2 4.25Å; L122-F127 HydrophobicContact CD1-CZ 4.25Å; L122-F127 HydrophobicContact CD2-CE2 4.33Å; L122-F127 HydrophobicContact CD2-CZ 3.95Å; D125-F127 PolarHBondContact O-N 3.38Å; F127-G129 PolarHBondContact O-N 3.17Å; F127-I130 HydrophobicContact CB-CD1 4.12Å; F127-I130 HydrophobicContact CB-CG1 4.12Å; F127-I130 HydrophobicContact CD1-CD1 4.04Å; F127-I130 VanDerWaalsContact O-CG1 3.29Å; F127-I130 WeakPolarHBondContact O-CG1 3.44Å; F127-L136 HydrophobicContact CE1-CD1 3.96Å; F127-L136 HydrophobicContact CE1-CD2 3.93Å; F127-L136 HydrophobicContact CE2-CD2 4.16Å; F127-L136 HydrophobicContact CZ-CD1 4.37Å; F127-L136 HydrophobicContact CZ-CD2 3.72Å; F127-F151 HydrophobicContact CD2-CD1 4.23Å; F127-F151 HydrophobicContact CD2-CE1 4.33Å; F127-F151 HydrophobicContact CE2-CD1 4.12Å; F127-F151 AromaticContact CE2-CE1 3.76Å; F127-F151 HydrophobicContact CE2-CE1 3.76Å; F127-L154 HydrophobicContact CB-CD1 4.14Å; F127-L154 HydrophobicContact CB-CD2 4.01Å; F127-L154 HydrophobicContact CB-CG 4.43Å; F127-L154 HydrophobicContact CD2-CD1 4.29Å; F127-L154 HydrophobicContact CG-CD1 4.21Å
128	L	91.2	Very high	93	Very high	78 Å²	78	35.1 Å²	35.1	41%	0.408	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	122.7	176.3	-176.5	65.2	0	0	0	110.9	D125	D125-L128 VanDerWaalsContact O-CB 3.29Å; D125-L128 WeakPolarHBondContact O-CB 3.44Å; D125-L128 PolarHBondContact O-N 2.63Å
129	G	87.6	Confident	92.7	Very high	21 Å²	21	32.8 Å²	32.8	22%	0.216	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.4	-15.5	178.2	0	0	0	0	0	115.4	F127	F127-G129 PolarHBondContact O-N 3.17Å
130	I	93.3	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.			trans	-111.8	48	-175.6	55.8	171.7	0	0	0	112.8	F103 L106 L109 L112 F127 N132 L133 L154	F103-I130 HydrophobicContact CB-CD1 4.43Å; F103-I130 HydrophobicContact CB-CG2 3.83Å; F103-I130 HydrophobicContact CD2-CD1 4.11Å; F103-I130 HydrophobicContact CG-CD1 4.38Å; L106-I130 HydrophobicContact CB-CG2 3.64Å; L106-I130 HydrophobicContact CD1-CG2 4.48Å; L109-I130 HydrophobicContact CB-CG2 4.12Å; L109-I130 HydrophobicContact CD2-CB 4.4Å; L109-I130 HydrophobicContact CD2-CD1 4.32Å; L109-I130 HydrophobicContact CD2-CG2 3.8Å; L112-I130 HydrophobicContact CD2-CD1 3.67Å; F127-I130 HydrophobicContact CB-CD1 4.12Å; F127-I130 HydrophobicContact CB-CG1 4.12Å; F127-I130 HydrophobicContact CD1-CD1 4.04Å; F127-I130 VanDerWaalsContact O-CG1 3.29Å; F127-I130 WeakPolarHBondContact O-CG1 3.44Å; I130-N132 PolarHBondContact O-N 3.14Å; I130-L133 HydrophobicContact CD1-CD1 4.42Å; I130-L133 HydrophobicContact CD1-CD2 4.08Å; I130-L133 WeakPolarHBondContact O-CB 3.43Å; I130-L133 PolarHBondContact O-N 3.22Å; I130-L133 VanDerWaalsContact O-N 3.09Å; I130-L154 HydrophobicContact CG1-CD2 4.24Å; I130-L154 WeakPolarHBondContact O-CD2 3.28Å
131	E	90.9	Very high	92.5	Very high	83 Å²	83	32.7 Å²	32.7	39%	0.388	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.7	-177.3	-54.5	-167.7	154.4	0	0	113.8	K153	E131-K153 HydrophobicContact CG-CB 4.37Å; E131-K153 WeakPolarHBondContact OE1-CD 3.4Å; E131-K153 IonicContact OE1-NZ 2.61Å; E131-K153 PolarHBondContact OE1-NZ 3.06Å
132	N	92.6	Very high	92.6	Very high	60 Å²	60	32.4 Å²	32.4	32%	0.321	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.9	176	-78.9	-50	0	0	0	115	S107 L109 I130 E134 K156	S107-N132 PolarHBondContact O-ND2 3.06Å; L109-N132 CarbonylContact O-C 3.57Å; L109-N132 VanDerWaalsContact O-C 3.24Å; I130-N132 PolarHBondContact O-N 3.14Å; N132-E134 PolarHBondContact O-N 2.87Å; N132-K156 WeakPolarHBondContact OD1-CE 3.39Å; N132-K156 PolarHBondContact OD1-NZ 3.36Å
133	L	95.2	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.			trans	-61.1	130	-175.5	-162.2	75.8	0	0	0	112	L109 K110 L112 I130 L136 L154 K156 L157	L109-L133 HydrophobicContact CD2-CD1 3.99Å; L109-L133 HydrophobicContact CG-CD1 4.16Å; L109-L133 WeakPolarHBondContact O-CA 3.4Å; L109-L133 PolarHBondContact O-N 3.17Å; K110-L133 WeakPolarHBondContact O-CD1 3.31Å; L112-L133 HydrophobicContact CB-CD1 3.7Å; L112-L133 HydrophobicContact CB-CD2 4.28Å; I130-L133 HydrophobicContact CD1-CD1 4.42Å; I130-L133 HydrophobicContact CD1-CD2 4.08Å; I130-L133 WeakPolarHBondContact O-CB 3.43Å; I130-L133 PolarHBondContact O-N 3.22Å; I130-L133 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CD2-CB 3.84Å; L133-L136 HydrophobicContact CD2-CD1 4.23Å; L133-L136 HydrophobicContact CD2-CD2 4.47Å; L133-L136 HydrophobicContact CD2-CG 4.4Å; L133-L154 HydrophobicContact CB-CD2 4.29Å; L133-L154 HydrophobicContact CD2-CD1 4.31Å; L133-K156 CarbonylContact O-C 3.48Å; L133-L157 HydrophobicContact CD2-CD1 4.3Å; L133-L157 WeakPolarHBondContact O-CA 3.32Å; L133-L157 PolarHBondContact O-N 3.16Å; L133-L157 VanDerWaalsContact O-N 3.1Å
134	E	92.5	Very high	92.6	Very high	18 Å²	18	34.8 Å²	34.8	8%	0.084	18%	0.181	C	C	.	.			trans	-110.3	-25.8	178.6	-68.8	-177.1	-124.9	0	0	112.4	K110 N132 K156 K158 V159 Y824	K110-E134 IonicContact NZ-OE1 2.78Å; K110-E134 PolarHBondContact NZ-OE1 2.96Å; K110-E134 PolarHBondContact O-N 3.48Å; N132-E134 PolarHBondContact O-N 2.87Å; E134-K156 WeakPolarHBondContact CA-O 3.36Å; E134-K156 HydrophobicContact CG-CB 4Å; E134-K158 PolarHBondContact O-N 3.4Å; E134-K158 WeakPolarHBondContact OE2-CE 3.43Å; E134-K158 IonicContact OE2-NZ 3.2Å; E134-K158 PolarHBondContact OE2-NZ 3.03Å; E134-V159 PolarHBondContact O-N 3.04Å; E134-V159 VanDerWaalsContact O-N 3.1Å; E134-Y824 HydrophobicContact CB-CE2 3.86Å; E134-Y824 HydrophobicContact CG-CE2 4.41Å; E134-Y824 PolarHBondContact OE1-OH 3.34Å; E134-Y824 VanDerWaalsContact OE2-CE2 3.25Å; E134-Y824 WeakPolarHBondContact OE2-CE2 3.27Å; E134-Y824 PolarHBondContact OE2-OH 2.83Å
135	Y	92.6	Very high	92.7	Very high	22 Å²	22	37.2 Å²	37.2	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.6	-178.5	-179.5	-76.8	0	0	0	110.5	K110 L112 H113 Q137 V159 I161	K110-Y135 PolarHBondContact O-N 3.11Å; L112-Y135 PolarHBondContact N-O 3Å; L112-Y135 VanDerWaalsContact N-O 3.09Å; H113-Y135 AromaticContact CE1-CE1 3.35Å; H113-Y135 WeakPolarHBondContact CE1-CE1 3.42Å; H113-Y135 AromaticContact ND1-CE1 3.67Å; Y135-Q137 HydrophobicContact CD1-CB 4.43Å; Y135-Q137 HydrophobicContact CE1-CB 3.59Å; Y135-Q137 PolarHBondContact OH-OE1 3.13Å; Y135-V159 HydrophobicContact CD2-CB 3.62Å; Y135-V159 HydrophobicContact CD2-CG1 3.6Å; Y135-V159 HydrophobicContact CD2-CG2 4.05Å; Y135-V159 HydrophobicContact CE2-CB 4.23Å; Y135-V159 HydrophobicContact CE2-CG1 3.68Å; Y135-V159 HydrophobicContact CG-CB 4.25Å; Y135-V159 HydrophobicContact CG-CG1 4.44Å; Y135-I161 HydrophobicContact CE2-CD1 4.23Å; Y135-I161 WeakPolarHBondContact OH-CD1 3.46Å
136	L	96.2	Very high	92.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.3	174.4	179.4	56	0	0	0	110.3	L112 L114 F127 L133 F151 L154 L157 V159 L160 I161	L112-L136 HydrophobicContact CB-CD1 4.13Å; L112-L136 HydrophobicContact CD2-CD1 3.98Å; L112-L136 HydrophobicContact CG-CD1 4.02Å; L114-L136 HydrophobicContact CD1-CD1 4.4Å; F127-L136 HydrophobicContact CE1-CD1 3.96Å; F127-L136 HydrophobicContact CE1-CD2 3.93Å; F127-L136 HydrophobicContact CE2-CD2 4.16Å; F127-L136 HydrophobicContact CZ-CD1 4.37Å; F127-L136 HydrophobicContact CZ-CD2 3.72Å; L133-L136 HydrophobicContact CD2-CB 3.84Å; L133-L136 HydrophobicContact CD2-CD1 4.23Å; L133-L136 HydrophobicContact CD2-CD2 4.47Å; L133-L136 HydrophobicContact CD2-CG 4.4Å; L136-F151 HydrophobicContact CD2-CD1 4.47Å; L136-F151 HydrophobicContact CD2-CE1 4.03Å; L136-L154 HydrophobicContact CD2-CD1 4.4Å; L136-L157 HydrophobicContact CB-CD1 3.8Å; L136-V159 PolarHBondContact N-O 3Å; L136-L160 HydrophobicContact CB-CD1 4.07Å; L136-L160 HydrophobicContact CD2-CD1 3.88Å; L136-L160 HydrophobicContact CG-CD1 4Å; L136-L160 WeakPolarHBondContact O-CA 3.47Å; L136-I161 PolarHBondContact O-N 2.99Å
137	Q	93.4	Very high	92.9	Very high	32 Å²	32	38.4 Å²	38.4	15%	0.15	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.1	176.4	175.1	-177.1	7.9	0	0	110.1	L112 H113 L114 N115 Y135 D139 I161	L112-Q137 PolarHBondContact O-N 2.9Å; H113-Q137 PolarHBondContact ND1-OE1 3.34Å; L114-Q137 PolarHBondContact N-O 3.4Å; N115-Q137 HydrophobicContact CB-CG 4.16Å; Y135-Q137 HydrophobicContact CD1-CB 4.43Å; Y135-Q137 HydrophobicContact CE1-CB 3.59Å; Y135-Q137 PolarHBondContact OH-OE1 3.13Å; Q137-D139 VanDerWaalsContact CD-OD1 3.27Å; Q137-D139 WeakPolarHBondContact CG-OD1 3.23Å; Q137-D139 PolarHBondContact NE2-OD1 3.47Å; Q137-I161 HydrophobicContact CB-CB 4.33Å; Q137-I161 HydrophobicContact CG-CB 4.25Å; Q137-I161 HydrophobicContact CG-CG2 4.27Å
138	A	94.9	Very high	92.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.213	C	C	.	.			trans	-145.5	38.5	178.4	0	0	0	0	0	112.4	L114 N141 I143 I161 L162 N165	L114-A138 HydrophobicContact CB-CB 4.15Å; A138-N141 PolarHBondContact O-ND2 2.92Å; A138-I143 HydrophobicContact CB-CD1 4.23Å; A138-I161 PolarHBondContact N-O 2.9Å; A138-L162 HydrophobicContact CB-CD2 4.15Å; A138-N165 PolarHBondContact O-ND2 2.85Å
139	D	89.1	Confident	92.7	Very high	14 Å²	14	43.4 Å²	43.4	8%	0.075	20%	0.199	C	C	.	.			trans	-67.8	165.5	173.7	58.3	-59.7	0	0	0	113.5	N115 N116 Q137 N141 I161 N163	N115-D139 CarbonylContact C-O 3.16Å; N115-D139 WeakPolarHBondContact CA-O 3.38Å; N115-D139 WeakPolarHBondContact CB-OD1 3.49Å; N116-D139 PolarHBondContact N-O 3.48Å; Q137-D139 VanDerWaalsContact CD-OD1 3.27Å; Q137-D139 WeakPolarHBondContact CG-OD1 3.23Å; Q137-D139 PolarHBondContact NE2-OD1 3.47Å; D139-N141 VanDerWaalsContact C-N 3.3Å; D139-N141 PolarHBondContact O-N 2.97Å; D139-N141 PolarHBondContact O-ND2 2.88Å; D139-I161 HydrophobicContact CB-CG2 4.2Å; D139-N163 WeakPolarHBondContact CA-O 3.49Å; D139-N163 WeakPolarHBondContact CB-OD1 3.36Å
140	Y	90.5	Very high	93	Very high	99 Å²	99	42.6 Å²	42.6	39%	0.388	19%	0.19	S	C	.	.	S	Bend	trans	47.8	52.1	-176.9	-66.1	-71.9	0	0	0	112.2	N116 N117 N163 D164	N116-Y140 WeakPolarHBondContact CA-O 3.38Å; N116-Y140 PolarHBondContact N-O 3.49Å; N117-Y140 PolarHBondContact N-O 2.99Å; Y140-N163 PolarHBondContact N-O 2.83Å; Y140-D164 VanDerWaalsContact CA-O 3.32Å; Y140-D164 WeakPolarHBondContact CA-O 3.42Å; Y140-D164 HydrophobicContact CD1-CB 3.49Å; Y140-D164 VanDerWaalsContact CD1-CB 3.49Å; Y140-D164 HydrophobicContact CE1-CB 3.36Å; Y140-D164 WeakPolarHBondContact CE1-OD2 3.25Å; Y140-D164 HydrophobicContact CE2-CB 4.43Å; Y140-D164 HydrophobicContact CG-CB 4.06Å; Y140-D164 VanDerWaalsContact CZ-CG 3.47Å; Y140-D164 PolarHBondContact N-O 3.42Å; Y140-D164 PolarHBondContact OH-OD2 3.38Å
141	N	93.3	Very high	93	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.032	19%	0.19	C	C	.	.	S	Bend	trans	-124	179.5	177.1	-90	-96.4	0	0	0	110.1	L114 N117 L119 A138 D139 I143 D164 N165	L114-N141 PolarHBondContact O-ND2 3.31Å; N117-N141 VanDerWaalsContact C-OD1 3.24Å; N117-N141 WeakPolarHBondContact CB-OD1 3.39Å; N117-N141 WeakPolarHBondContact O-CA 3.09Å; N117-N141 PolarHBondContact O-OD1 3.34Å; L119-N141 VanDerWaalsContact CB-OD1 3.23Å; L119-N141 WeakPolarHBondContact CB-OD1 3.36Å; L119-N141 VanDerWaalsContact CG-OD1 3.3Å; L119-N141 WeakPolarHBondContact CG-OD1 3.37Å; L119-N141 PolarHBondContact N-OD1 3.06Å; A138-N141 PolarHBondContact O-ND2 2.92Å; D139-N141 VanDerWaalsContact C-N 3.3Å; D139-N141 PolarHBondContact O-N 2.97Å; D139-N141 PolarHBondContact O-ND2 2.88Å; N141-I143 HydrophobicContact CB-CD1 4.05Å; N141-I143 HydrophobicContact CB-CG1 4.03Å; N141-D164 PolarHBondContact N-O 2.89Å; N141-N165 WeakPolarHBondContact CA-OD1 3.49Å; N141-N165 WeakPolarHBondContact CB-OD1 3.36Å; N141-N165 PolarHBondContact O-OD1 3.12Å
142	L	94.2	Very high	92.9	Very high	73 Å²	73	41.5 Å²	41.5	38%	0.382	19%	0.187	S	C	.	.			trans	-104.7	23.3	-179.2	-58.2	178.1	0	0	0	111.8	E118 L119 K120 K144 L166	E118-L142 HydrophobicContact CB-CD1 4.43Å; L119-L142 CarbonylContact O-C 3.48Å; L119-L142 VanDerWaalsContact O-CA 3.24Å; L119-L142 WeakPolarHBondContact O-CA 3.46Å; L119-L142 WeakPolarHBondContact O-CB 3.49Å; L119-L142 PolarHBondContact O-N 3.48Å; K120-L142 HydrophobicContact CG-CB 4.09Å; L142-K144 PolarHBondContact O-N 2.92Å; L142-L166 HydrophobicContact CB-CD1 4.41Å; L142-L166 HydrophobicContact CD2-CD1 4.27Å
143	I	96	Very high	92.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.192	C	C	.	.			trans	-67.3	110.8	-169	-60.4	161.5	0	0	0	108.3	L119 L122 A138 N141 I146 N165 L166 I167	L119-I143 HydrophobicContact CB-CG1 4.2Å; L119-I143 WeakPolarHBondContact O-CG1 3.49Å; L119-I143 PolarHBondContact O-N 2.82Å; L122-I143 HydrophobicContact CD1-CD1 4.02Å; L122-I143 HydrophobicContact CD2-CD1 4.05Å; L122-I143 HydrophobicContact CG-CD1 3.93Å; L122-I143 HydrophobicContact CG-CG1 4.35Å; L122-I143 HydrophobicContact CG-CG2 4.09Å; A138-I143 HydrophobicContact CB-CD1 4.23Å; N141-I143 HydrophobicContact CB-CD1 4.05Å; N141-I143 HydrophobicContact CB-CG1 4.03Å; I143-I146 HydrophobicContact CG2-CG1 4.09Å; I143-N165 WeakPolarHBondContact CB-OD1 3.48Å; I143-N165 WeakPolarHBondContact CG1-OD1 3.37Å; I143-N165 PolarHBondContact N-OD1 3.45Å; I143-L166 CarbonylContact O-C 3.56Å; I143-L166 VanDerWaalsContact O-CA 3.3Å; I143-L166 WeakPolarHBondContact O-CA 3.11Å; I143-L166 PolarHBondContact O-N 2.85Å; I143-I167 HydrophobicContact CB-CG1 4.44Å; I143-I167 HydrophobicContact CG2-CG1 4.11Å; I143-I167 WeakPolarHBondContact O-CG1 3.48Å; I143-I167 PolarHBondContact O-N 3.25Å
144	K	92.8	Very high	92.6	Very high	100 Å²	100	43.3 Å²	43.3	44%	0.435	19%	0.192	S	C	.	.			trans	-100.3	-28.4	178.9	-170	-179.8	178	-158.9	0	112.4	K120 L142 L166	K120-K144 PolarHBondContact O-N 3.38Å; L142-K144 PolarHBondContact O-N 2.92Å; K144-L166 HydrophobicContact CB-CB 4.26Å
145	Y	92.8	Very high	92.5	Very high	105 Å²	105	47 Å²	47	41%	0.412	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.5	-176.5	-55.4	-72.3	0	0	0	111	I121 L122 F169	I121-Y145 WeakPolarHBondContact CA-O 3.35Å; I121-Y145 HydrophobicContact CG1-CD2 4.45Å; L122-Y145 PolarHBondContact N-O 3.01Å; L122-Y145 VanDerWaalsContact N-O 3.07Å; Y145-F169 HydrophobicContact CD1-CE1 4.33Å
146	I	95	Very high	92.5	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.4	167.9	-58.9	179.9	0	0	0	106.4	L122 I143 A150 F151 L162 I167 L170 P171 I174	L122-I146 HydrophobicContact CB-CG1 4.34Å; L122-I146 HydrophobicContact CB-CG2 4.39Å; L122-I146 HydrophobicContact CD1-CD1 4.37Å; L122-I146 HydrophobicContact CD1-CG1 4.33Å; I143-I146 HydrophobicContact CG2-CG1 4.09Å; I146-A150 HydrophobicContact CG2-CB 3.79Å; I146-F151 HydrophobicContact CD1-CZ 4.35Å; I146-F151 HydrophobicContact CG2-CZ 4.47Å; I146-L162 HydrophobicContact CD1-CD1 4.23Å; I146-I167 HydrophobicContact CD1-CD1 3.91Å; I146-I167 HydrophobicContact CD1-CG1 4.5Å; I146-L170 HydrophobicContact CD1-CD2 4.29Å; I146-P171 HydrophobicContact CB-CG 4.35Å; I146-P171 HydrophobicContact CG2-CG 4.47Å; I146-P171 WeakPolarHBondContact O-CG 3.45Å; I146-I174 HydrophobicContact CG2-CD1 3.98Å; I146-I174 HydrophobicContact CG2-CG1 4.42Å
147	E	93.6	Very high	92.4	Very high	81 Å²	81	51.1 Å²	51.1	38%	0.379	23%	0.227	S	C	.	.			trans	-76.1	154	178.9	-71.8	-173.8	166.5	0	0	112.5	L122 R123 A124 G149 A150	L122-E147 PolarHBondContact O-N 2.97Å; R123-E147 WeakPolarHBondContact CA-OE2 3.05Å; R123-E147 VanDerWaalsContact CB-OE2 3.3Å; R123-E147 WeakPolarHBondContact CB-OE2 3.04Å; R123-E147 HydrophobicContact CG-CG 4.48Å; A124-E147 HydrophobicContact CB-CB 4.39Å; A124-E147 PolarHBondContact N-OE2 3.3Å; E147-G149 PolarHBondContact O-N 3.02Å; E147-A150 PolarHBondContact O-N 3.16Å
148	R	90.6	Very high	92.2	Very high	178 Å²	178	50.9 Å²	50.9	67%	0.672	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	107.2	177.4	-73.4	176.5	177.2	-98.1	-13	109.9	P171 D172	R148-P171 HydrophobicContact CG-CB 4.06Å; R148-D172 IonicContact CZ-OD2 3.83Å; R148-D172 IonicContact NH1-OD2 2.73Å; R148-D172 PolarHBondContact NH1-OD2 2.9Å; R148-D172 IonicContact NH2-OD2 3.6Å; R148-D172 PolarHBondContact NH2-OD2 3.01Å
149	G	89.4	Confident	92	Very high	10 Å²	10	51 Å²	51	10%	0.103	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	15.2	176.1	0	0	0	0	0	116.5	E147 F151 N152	E147-G149 PolarHBondContact O-N 3.02Å; G149-F151 PolarHBondContact O-N 2.84Å; G149-N152 VanDerWaalsContact CA-ND2 3.3Å; G149-N152 WeakPolarHBondContact CA-ND2 3.49Å; G149-N152 WeakPolarHBondContact CA-OD1 3.22Å; G149-N152 VanDerWaalsContact O-CB 3.25Å; G149-N152 WeakPolarHBondContact O-CB 3.29Å; G149-N152 PolarHBondContact O-N 3.35Å
150	A	93.2	Very high	92.3	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.033	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.4	175	0	0	0	0	0	114.4	I146 E147 I174	I146-A150 HydrophobicContact CG2-CB 3.79Å; E147-A150 PolarHBondContact O-N 3.16Å; A150-I174 HydrophobicContact CB-CD1 4.33Å
151	F	93.3	Very high	92.3	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	5.4	177.2	-46	-45.9	0	0	0	114.2	L122 F127 L136 I146 G149 K153 L154 L160 L162 I174 F175	L122-F151 HydrophobicContact CD1-CE1 4.26Å; L122-F151 HydrophobicContact CD1-CZ 4.19Å; F127-F151 HydrophobicContact CD2-CD1 4.23Å; F127-F151 HydrophobicContact CD2-CE1 4.33Å; F127-F151 HydrophobicContact CE2-CD1 4.12Å; F127-F151 AromaticContact CE2-CE1 3.76Å; F127-F151 HydrophobicContact CE2-CE1 3.76Å; L136-F151 HydrophobicContact CD2-CD1 4.47Å; L136-F151 HydrophobicContact CD2-CE1 4.03Å; I146-F151 HydrophobicContact CD1-CZ 4.35Å; I146-F151 HydrophobicContact CG2-CZ 4.47Å; G149-F151 PolarHBondContact O-N 2.84Å; F151-K153 PolarHBondContact O-N 3.33Å; F151-L154 HydrophobicContact CB-CD1 4.34Å; F151-L154 HydrophobicContact CD1-CD1 3.94Å; F151-L154 PolarHBondContact O-N 3.35Å; F151-L160 HydrophobicContact CD2-CD2 4.16Å; F151-L160 HydrophobicContact CE2-CD2 3.68Å; F151-L160 HydrophobicContact CZ-CD1 4.28Å; F151-L160 HydrophobicContact CZ-CD2 4.01Å; F151-L162 HydrophobicContact CZ-CD1 4.46Å; F151-I174 HydrophobicContact CD2-CD1 3.93Å; F151-I174 HydrophobicContact CD2-CG1 3.72Å; F151-I174 HydrophobicContact CE2-CD1 4.34Å; F151-I174 HydrophobicContact CE2-CG1 3.99Å; F151-I174 HydrophobicContact CG-CD1 4.49Å; F151-F175 HydrophobicContact CD2-CD1 4.24Å; F151-F175 HydrophobicContact CD2-CE1 4.01Å; F151-F175 HydrophobicContact CE2-CE1 4.08Å
152	N	89.4	Confident	92.4	Very high	59 Å²	59	46.2 Å²	46.2	32%	0.316	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.4	-174.3	-81.6	-3.9	0	0	0	114.2	G149 H155 F177	G149-N152 VanDerWaalsContact CA-ND2 3.3Å; G149-N152 WeakPolarHBondContact CA-ND2 3.49Å; G149-N152 WeakPolarHBondContact CA-OD1 3.22Å; G149-N152 VanDerWaalsContact O-CB 3.25Å; G149-N152 WeakPolarHBondContact O-CB 3.29Å; G149-N152 PolarHBondContact O-N 3.35Å; N152-H155 PolarHBondContact O-CE1 2.92Å; N152-F177 HydrophobicContact CB-CD2 4.12Å
153	K	88.9	Confident	92.1	Very high	98 Å²	98	43.4 Å²	43.4	43%	0.426	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-10.2	179.1	-69.7	-55.5	-150	138.4	0	114.4	E131 F151 H155	E131-K153 HydrophobicContact CG-CB 4.37Å; E131-K153 WeakPolarHBondContact OE1-CD 3.4Å; E131-K153 IonicContact OE1-NZ 2.61Å; E131-K153 PolarHBondContact OE1-NZ 3.06Å; F151-K153 PolarHBondContact O-N 3.33Å; K153-H155 PolarHBondContact O-N 2.03Å
154	L	92.8	Very high	91.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.208	C	C	.	.			trans	-90.8	60	-172	-53.2	-177	0	0	0	110.4	F127 I130 L133 L136 F151 K156 L157	F127-L154 HydrophobicContact CB-CD1 4.14Å; F127-L154 HydrophobicContact CB-CD2 4.01Å; F127-L154 HydrophobicContact CB-CG 4.43Å; F127-L154 HydrophobicContact CD2-CD1 4.29Å; F127-L154 HydrophobicContact CG-CD1 4.21Å; I130-L154 HydrophobicContact CG1-CD2 4.24Å; I130-L154 WeakPolarHBondContact O-CD2 3.28Å; L133-L154 HydrophobicContact CB-CD2 4.29Å; L133-L154 HydrophobicContact CD2-CD1 4.31Å; L136-L154 HydrophobicContact CD2-CD1 4.4Å; F151-L154 HydrophobicContact CB-CD1 4.34Å; F151-L154 HydrophobicContact CD1-CD1 3.94Å; F151-L154 PolarHBondContact O-N 3.35Å; L154-K156 PolarHBondContact O-N 2.92Å; L154-L157 HydrophobicContact CB-CB 3.94Å; L154-L157 HydrophobicContact CB-CD2 4.3Å; L154-L157 HydrophobicContact CD1-CD2 4.13Å; L154-L157 VanDerWaalsContact O-CB 3.29Å; L154-L157 WeakPolarHBondContact O-CB 3.14Å; L154-L157 PolarHBondContact O-N 3.47Å
155	H	90.8	Very high	91.9	Very high	96 Å²	96	41.8 Å²	41.8	44%	0.444	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.5	-171.2	-62.6	-49.2	0	0	0	114.9	N152 K153 F177	N152-H155 PolarHBondContact O-CE1 2.92Å; K153-H155 PolarHBondContact O-N 2.03Å; H155-F177 WeakPolarHBondContact CA-O 3.33Å
156	K	91.9	Very high	92	Very high	108 Å²	108	40.2 Å²	40.2	47%	0.47	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.9	178	-62	-171.6	-176.6	171.8	0	114	N132 L133 E134 L154 K158	N132-K156 WeakPolarHBondContact OD1-CE 3.39Å; N132-K156 PolarHBondContact OD1-NZ 3.36Å; L133-K156 CarbonylContact O-C 3.48Å; E134-K156 WeakPolarHBondContact CA-O 3.36Å; E134-K156 HydrophobicContact CG-CB 4Å; L154-K156 PolarHBondContact O-N 2.92Å; K156-K158 PolarHBondContact O-N 2.96Å
157	L	94.1	Very high	92.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.			trans	-65	123.1	-174.8	-170.4	66	0	0	0	111	L133 L136 L154 V159 L160 A178 S179 L180	L133-L157 HydrophobicContact CD2-CD1 4.3Å; L133-L157 WeakPolarHBondContact O-CA 3.32Å; L133-L157 PolarHBondContact O-N 3.16Å; L133-L157 VanDerWaalsContact O-N 3.1Å; L136-L157 HydrophobicContact CB-CD1 3.8Å; L154-L157 HydrophobicContact CB-CB 3.94Å; L154-L157 HydrophobicContact CB-CD2 4.3Å; L154-L157 HydrophobicContact CD1-CD2 4.13Å; L154-L157 VanDerWaalsContact O-CB 3.29Å; L154-L157 WeakPolarHBondContact O-CB 3.14Å; L154-L157 PolarHBondContact O-N 3.47Å; L157-V159 WeakPolarHBondContact CD1-O 3.12Å; L157-L160 HydrophobicContact CD2-CB 4.43Å; L157-A178 HydrophobicContact CB-CB 4.29Å; L157-S179 CarbonylContact O-C 3.5Å; L157-L180 HydrophobicContact CB-CD2 4.4Å; L157-L180 HydrophobicContact CD2-CD2 3.99Å; L157-L180 HydrophobicContact CG-CD2 3.8Å
158	K	89.6	Confident	92	Very high	27 Å²	27	38.2 Å²	38.2	12%	0.117	18%	0.183	C	C	.	.			trans	-113.3	-39.2	-179.1	-68.6	168.4	-179.2	170.8	0	112.1	E134 K156 T181 H182 V827 Q831	E134-K158 PolarHBondContact O-N 3.4Å; E134-K158 WeakPolarHBondContact OE2-CE 3.43Å; E134-K158 IonicContact OE2-NZ 3.2Å; E134-K158 PolarHBondContact OE2-NZ 3.03Å; K156-K158 PolarHBondContact O-N 2.96Å; K158-T181 HydrophobicContact CB-CG2 4.46Å; K158-T181 PolarHBondContact O-N 3.15Å; K158-T181 PolarHBondContact O-OG1 3.44Å; K158-H182 PolarHBondContact O-N 2.89Å; K158-V827 HydrophobicContact CB-CG1 4.38Å; K158-V827 HydrophobicContact CD-CG1 4.06Å; K158-Q831 VanDerWaalsContact CE-OE1 3.3Å
159	V	90.1	Very high	92	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.8	-176.4	-177.7	0	0	0	0	108.8	E134 Y135 L136 L157 I161 H182 P822 V827	E134-V159 PolarHBondContact O-N 3.04Å; E134-V159 VanDerWaalsContact O-N 3.1Å; Y135-V159 HydrophobicContact CD2-CB 3.62Å; Y135-V159 HydrophobicContact CD2-CG1 3.6Å; Y135-V159 HydrophobicContact CD2-CG2 4.05Å; Y135-V159 HydrophobicContact CE2-CB 4.23Å; Y135-V159 HydrophobicContact CE2-CG1 3.68Å; Y135-V159 HydrophobicContact CG-CB 4.25Å; Y135-V159 HydrophobicContact CG-CG1 4.44Å; L136-V159 PolarHBondContact N-O 3Å; L157-V159 WeakPolarHBondContact CD1-O 3.12Å; V159-I161 HydrophobicContact CG1-CD1 4.11Å; V159-I161 HydrophobicContact CG1-CG1 4.02Å; V159-H182 HydrophobicContact CB-CB 4.46Å; V159-H182 HydrophobicContact CG1-CB 4.18Å; V159-H182 HydrophobicContact CG2-CB 4.16Å; V159-P822 HydrophobicContact CG1-CG 3.93Å; V159-P822 HydrophobicContact CG2-CG 4.1Å; V159-V827 HydrophobicContact CG2-CG2 4.1Å
160	L	95.1	Very high	92.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.2	176.6	178	58.2	0	0	0	109.8	L136 F151 L157 L162 F175 L180 H182 L183 D184	L136-L160 HydrophobicContact CB-CD1 4.07Å; L136-L160 HydrophobicContact CD2-CD1 3.88Å; L136-L160 HydrophobicContact CG-CD1 4Å; L136-L160 WeakPolarHBondContact O-CA 3.47Å; F151-L160 HydrophobicContact CD2-CD2 4.16Å; F151-L160 HydrophobicContact CE2-CD2 3.68Å; F151-L160 HydrophobicContact CZ-CD1 4.28Å; F151-L160 HydrophobicContact CZ-CD2 4.01Å; L157-L160 HydrophobicContact CD2-CB 4.43Å; L160-L162 HydrophobicContact CD1-CD1 4.04Å; L160-L162 HydrophobicContact CD1-CD2 4.19Å; L160-L162 HydrophobicContact CD1-CG 3.88Å; L160-L162 HydrophobicContact CD2-CD1 3.96Å; L160-L162 HydrophobicContact CG-CD1 3.91Å; L160-L162 HydrophobicContact CG-CG 4.02Å; L160-F175 HydrophobicContact CD2-CE1 3.71Å; L160-F175 HydrophobicContact CD2-CZ 4.44Å; L160-L180 HydrophobicContact CB-CD1 4.31Å; L160-L180 HydrophobicContact CB-CD2 3.87Å; L160-L180 HydrophobicContact CD2-CD1 4.18Å; L160-H182 PolarHBondContact N-O 3.28Å; L160-L183 HydrophobicContact CB-CD1 4.06Å; L160-L183 HydrophobicContact CD2-CD1 3.96Å; L160-L183 HydrophobicContact CG-CD1 3.99Å; L160-L183 WeakPolarHBondContact O-CA 3.32Å; L160-D184 PolarHBondContact O-N 2.87Å
161	I	90.8	Very high	92.1	Very high	18 Å²	18	34.9 Å²	34.9	9%	0.092	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.9	-178.2	-60.1	172.9	0	0	0	108.5	Y135 L136 Q137 A138 D139 V159 N163 D184	Y135-I161 HydrophobicContact CE2-CD1 4.23Å; Y135-I161 WeakPolarHBondContact OH-CD1 3.46Å; L136-I161 PolarHBondContact O-N 2.99Å; Q137-I161 HydrophobicContact CB-CB 4.33Å; Q137-I161 HydrophobicContact CG-CB 4.25Å; Q137-I161 HydrophobicContact CG-CG2 4.27Å; A138-I161 PolarHBondContact N-O 2.9Å; D139-I161 HydrophobicContact CB-CG2 4.2Å; V159-I161 HydrophobicContact CG1-CD1 4.11Å; V159-I161 HydrophobicContact CG1-CG1 4.02Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.35Å; I161-D184 HydrophobicContact CG2-CB 4.41Å
162	L	95.3	Very high	91.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.			trans	-133.6	19.7	-174.9	-67	173.6	0	0	0	112.2	L122 A138 I146 F151 L160 N165 I167 D184 I185 N188	L122-L162 HydrophobicContact CD1-CD2 4.38Å; A138-L162 HydrophobicContact CB-CD2 4.15Å; I146-L162 HydrophobicContact CD1-CD1 4.23Å; F151-L162 HydrophobicContact CZ-CD1 4.46Å; L160-L162 HydrophobicContact CD1-CD1 4.04Å; L160-L162 HydrophobicContact CD1-CD2 4.19Å; L160-L162 HydrophobicContact CD1-CG 3.88Å; L160-L162 HydrophobicContact CD2-CD1 3.96Å; L160-L162 HydrophobicContact CG-CD1 3.91Å; L160-L162 HydrophobicContact CG-CG 4.02Å; L162-N165 PolarHBondContact O-ND2 2.85Å; L162-I167 HydrophobicContact CB-CD1 4.19Å; L162-I167 HydrophobicContact CD1-CD1 4.2Å; L162-D184 WeakPolarHBondContact CA-O 3.34Å; L162-D184 PolarHBondContact N-O 3.46Å; L162-I185 HydrophobicContact CB-CG2 4.38Å; L162-N188 PolarHBondContact O-ND2 2.95Å
163	N	89.4	Confident	91.9	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.07	19%	0.187	C	C	.	.			trans	-64.4	163.4	-178.2	62.6	-76.5	0	0	0	113.2	D139 Y140 I161 N165 D184 R186	D139-N163 WeakPolarHBondContact CA-O 3.49Å; D139-N163 WeakPolarHBondContact CB-OD1 3.36Å; Y140-N163 PolarHBondContact N-O 2.83Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.35Å; N163-N165 PolarHBondContact O-N 2.82Å; N163-N165 PolarHBondContact O-ND2 3.28Å; N163-D184 WeakPolarHBondContact CB-OD2 3.17Å; N163-D184 PolarHBondContact OD1-OD2 2.78Å; N163-R186 CarbonylContact C-O 3.52Å; N163-R186 WeakPolarHBondContact CA-O 3.23Å; N163-R186 HydrophobicContact CB-CB 4.1Å
164	D	90.3	Very high	92.1	Very high	62 Å²	62	33.2 Å²	33.2	33%	0.332	17%	0.167	S	C	.	.	S	Bend	trans	51.9	57.2	176	-65.8	-72.2	0	0	0	112.1	Y140 N141 R186	Y140-D164 VanDerWaalsContact CA-O 3.32Å; Y140-D164 WeakPolarHBondContact CA-O 3.42Å; Y140-D164 HydrophobicContact CD1-CB 3.49Å; Y140-D164 VanDerWaalsContact CD1-CB 3.49Å; Y140-D164 HydrophobicContact CE1-CB 3.36Å; Y140-D164 WeakPolarHBondContact CE1-OD2 3.25Å; Y140-D164 HydrophobicContact CE2-CB 4.43Å; Y140-D164 HydrophobicContact CG-CB 4.06Å; Y140-D164 VanDerWaalsContact CZ-CG 3.47Å; Y140-D164 PolarHBondContact N-O 3.42Å; Y140-D164 PolarHBondContact OH-OD2 3.38Å; N141-D164 PolarHBondContact N-O 2.89Å; D164-R186 PolarHBondContact N-O 3.35Å
165	N	94.3	Very high	92	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-135.5	-173.3	-177.2	-94.5	-85.2	0	0	0	110.4	A138 N141 I143 L162 N163 I167 G187 N188	A138-N165 PolarHBondContact O-ND2 2.85Å; N141-N165 WeakPolarHBondContact CA-OD1 3.49Å; N141-N165 WeakPolarHBondContact CB-OD1 3.36Å; N141-N165 PolarHBondContact O-OD1 3.12Å; I143-N165 WeakPolarHBondContact CB-OD1 3.48Å; I143-N165 WeakPolarHBondContact CG1-OD1 3.37Å; I143-N165 PolarHBondContact N-OD1 3.45Å; L162-N165 PolarHBondContact O-ND2 2.85Å; N163-N165 PolarHBondContact O-N 2.82Å; N163-N165 PolarHBondContact O-ND2 3.28Å; N165-I167 HydrophobicContact CB-CD1 4.47Å; N165-I167 HydrophobicContact CB-CG1 4.37Å; N165-G187 PolarHBondContact N-O 3.47Å; N165-N188 VanDerWaalsContact C-OD1 3.24Å; N165-N188 WeakPolarHBondContact CB-OD1 3.17Å
166	L	94.4	Very high	91.9	Very high	73 Å²	73	35.3 Å²	35.3	38%	0.382	17%	0.17	S	C	.	.			trans	-115.4	19.7	-174.6	-60.5	177.5	0	0	0	113.3	L142 I143 K144 S168	L142-L166 HydrophobicContact CB-CD1 4.41Å; L142-L166 HydrophobicContact CD2-CD1 4.27Å; I143-L166 CarbonylContact O-C 3.56Å; I143-L166 VanDerWaalsContact O-CA 3.3Å; I143-L166 WeakPolarHBondContact O-CA 3.11Å; I143-L166 PolarHBondContact O-N 2.85Å; K144-L166 HydrophobicContact CB-CB 4.26Å; L166-S168 PolarHBondContact O-N 3.4Å
167	I	96.4	Very high	91.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.			trans	-66.9	122.5	-173.8	-57	166.6	0	0	0	108.9	I143 I146 L162 N165 F169 L170 N188 R189 I190	I143-I167 HydrophobicContact CB-CG1 4.44Å; I143-I167 HydrophobicContact CG2-CG1 4.11Å; I143-I167 WeakPolarHBondContact O-CG1 3.48Å; I143-I167 PolarHBondContact O-N 3.25Å; I146-I167 HydrophobicContact CD1-CD1 3.91Å; I146-I167 HydrophobicContact CD1-CG1 4.5Å; L162-I167 HydrophobicContact CB-CD1 4.19Å; L162-I167 HydrophobicContact CD1-CD1 4.2Å; N165-I167 HydrophobicContact CB-CD1 4.47Å; N165-I167 HydrophobicContact CB-CG1 4.37Å; I167-F169 WeakPolarHBondContact CG2-O 3.42Å; I167-L170 HydrophobicContact CG2-CD2 4.01Å; I167-N188 VanDerWaalsContact CB-OD1 3.23Å; I167-N188 WeakPolarHBondContact CB-OD1 3.34Å; I167-N188 VanDerWaalsContact CG1-OD1 3.29Å; I167-N188 WeakPolarHBondContact CG1-OD1 3.48Å; I167-N188 PolarHBondContact N-OD1 2.86Å; I167-R189 CarbonylContact O-C 3.09Å; I167-R189 VanDerWaalsContact O-CA 3.26Å; I167-R189 WeakPolarHBondContact O-CA 3.25Å; I167-R189 PolarHBondContact O-N 3.34Å; I167-I190 HydrophobicContact CG2-CD1 4.29Å; I167-I190 HydrophobicContact CG2-CG1 4.23Å; I167-I190 WeakPolarHBondContact O-CG1 3.22Å; I167-I190 PolarHBondContact O-N 2.87Å
168	S	91.1	Very high	91.5	Very high	47 Å²	47	34.7 Å²	34.7	33%	0.329	17%	0.169	S	C	.	.			trans	-98.6	-22.5	179.3	59	0	0	0	0	114.7	L166 R189	L166-S168 PolarHBondContact O-N 3.4Å; S168-R189 WeakPolarHBondContact CA-O 3.18Å
169	F	91.1	Very high	91.3	Very high	108 Å²	108	36 Å²	36	47%	0.474	18%	0.181	S	C	.	.			trans	-154.5	157	173.4	67.6	-86.2	0	0	0	110.7	Y145 I167	Y145-F169 HydrophobicContact CD1-CE1 4.33Å; I167-F169 WeakPolarHBondContact CG2-O 3.42Å
170	L	93.1	Very high	91.3	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.052	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-100.8	137.7	170.7	-64.1	-179.9	0	0	0	110	I146 I167 I174 F175 I190 L193 V198	I146-L170 HydrophobicContact CD1-CD2 4.29Å; I167-L170 HydrophobicContact CG2-CD2 4.01Å; L170-I174 HydrophobicContact CB-CG2 4.39Å; L170-F175 HydrophobicContact CD1-CE2 3.92Å; L170-F175 HydrophobicContact CD1-CZ 4.01Å; L170-I190 HydrophobicContact CG-CD1 4.33Å; L170-L193 HydrophobicContact CD1-CD2 3.8Å; L170-L193 HydrophobicContact CG-CD2 4.33Å; L170-V198 HydrophobicContact CB-CG2 4.35Å; L170-V198 HydrophobicContact CD1-CG1 4.22Å
171	P	92.3	Very high	91	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.032	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-68.4	154	179.4	-20.6	32.4	0	0	0	114.3	I146 R148 I174	I146-P171 HydrophobicContact CB-CG 4.35Å; I146-P171 HydrophobicContact CG2-CG 4.47Å; I146-P171 WeakPolarHBondContact O-CG 3.45Å; R148-P171 HydrophobicContact CG-CB 4.06Å; P171-I174 HydrophobicContact CB-CB 4.35Å; P171-I174 HydrophobicContact CG-CD1 4.49Å; P171-I174 VanDerWaalsContact O-CB 3.28Å; P171-I174 WeakPolarHBondContact O-CB 3.41Å; P171-I174 WeakPolarHBondContact O-CG2 3.38Å; P171-I174 PolarHBondContact O-N 3.3Å
172	D	89.4	Confident	90.7	Very high	69 Å²	69	37.1 Å²	37.1	37%	0.369	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	138.7	172.6	-37.3	-52.3	0	0	0	111.4	R148 I174	R148-D172 IonicContact CZ-OD2 3.83Å; R148-D172 IonicContact NH1-OD2 2.73Å; R148-D172 PolarHBondContact NH1-OD2 2.9Å; R148-D172 IonicContact NH2-OD2 3.6Å; R148-D172 PolarHBondContact NH2-OD2 3.01Å; D172-I174 PolarHBondContact O-N 3Å
173	N	89.6	Confident	90.6	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	13.6	179.4	-68.1	-118.9	0	0	0	114.8	F175 R176 G197	N173-F175 PolarHBondContact O-N 2.89Å; N173-F175 VanDerWaalsContact O-N 3.1Å; N173-R176 HydrophobicContact CB-CB 4.06Å; N173-R176 WeakPolarHBondContact O-CB 3.45Å; N173-R176 PolarHBondContact O-N 2.73Å; N173-R176 WeakPolarHBondContact OD1-CD 3.4Å; N173-R176 PolarHBondContact OD1-NH1 2.76Å; N173-G197 WeakPolarHBondContact CA-O 3.45Å; N173-G197 PolarHBondContact N-O 3.26Å
174	I	92.2	Very high	90.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27	-173.3	-168.5	58.1	0	0	0	114.4	I146 A150 F151 L170 P171 D172	I146-I174 HydrophobicContact CG2-CD1 3.98Å; I146-I174 HydrophobicContact CG2-CG1 4.42Å; A150-I174 HydrophobicContact CB-CD1 4.33Å; F151-I174 HydrophobicContact CD2-CD1 3.93Å; F151-I174 HydrophobicContact CD2-CG1 3.72Å; F151-I174 HydrophobicContact CE2-CD1 4.34Å; F151-I174 HydrophobicContact CE2-CG1 3.99Å; F151-I174 HydrophobicContact CG-CD1 4.49Å; L170-I174 HydrophobicContact CB-CG2 4.39Å; P171-I174 HydrophobicContact CB-CB 4.35Å; P171-I174 HydrophobicContact CG-CD1 4.49Å; P171-I174 VanDerWaalsContact O-CB 3.28Å; P171-I174 WeakPolarHBondContact O-CB 3.41Å; P171-I174 WeakPolarHBondContact O-CG2 3.38Å; P171-I174 PolarHBondContact O-N 3.3Å; D172-I174 PolarHBondContact O-N 3Å
175	F	91.4	Very high	90.7	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.013	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.1	177	-54.1	-50.3	0	0	0	114.1	F151 L160 L170 N173 F177 A178 L180 L183 V198 H201 I202	F151-F175 HydrophobicContact CD2-CD1 4.24Å; F151-F175 HydrophobicContact CD2-CE1 4.01Å; F151-F175 HydrophobicContact CE2-CE1 4.08Å; L160-F175 HydrophobicContact CD2-CE1 3.71Å; L160-F175 HydrophobicContact CD2-CZ 4.44Å; L170-F175 HydrophobicContact CD1-CE2 3.92Å; L170-F175 HydrophobicContact CD1-CZ 4.01Å; N173-F175 PolarHBondContact O-N 2.89Å; N173-F175 VanDerWaalsContact O-N 3.1Å; F175-F177 PolarHBondContact O-N 2.85Å; F175-A178 PolarHBondContact O-N 2.87Å; F175-L180 HydrophobicContact CD1-CD1 3.61Å; F175-L180 HydrophobicContact CE1-CD1 3.75Å; F175-L180 HydrophobicContact CG-CD1 4.12Å; F175-L180 HydrophobicContact CZ-CD1 4.34Å; F175-L183 HydrophobicContact CE2-CD2 3.98Å; F175-L183 HydrophobicContact CZ-CD1 4.39Å; F175-L183 HydrophobicContact CZ-CD2 3.93Å; F175-V198 HydrophobicContact CD2-CG1 4.29Å; F175-V198 HydrophobicContact CE2-CG1 4.13Å; F175-H201 HydrophobicContact CB-CB 4.04Å; F175-I202 HydrophobicContact CD2-CD1 3.72Å; F175-I202 HydrophobicContact CD2-CG1 3.85Å; F175-I202 HydrophobicContact CE2-CD1 3.78Å; F175-I202 HydrophobicContact CE2-CG1 4.38Å
176	R	88.6	Confident	90.5	Very high	136 Å²	136	37.5 Å²	37.5	51%	0.513	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.8	-173.4	174.1	169.4	169.1	172.1	-0.4	114.6	N173	N173-R176 HydrophobicContact CB-CB 4.06Å; N173-R176 WeakPolarHBondContact O-CB 3.45Å; N173-R176 PolarHBondContact O-N 2.73Å; N173-R176 WeakPolarHBondContact OD1-CD 3.4Å; N173-R176 PolarHBondContact OD1-NH1 2.76Å
177	F	87.9	Confident	90.2	Very high	93 Å²	93	35 Å²	35	41%	0.408	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	5.2	-177.6	-59.3	-72.3	0	0	0	113.9	N152 H155 F175	N152-F177 HydrophobicContact CB-CD2 4.12Å; H155-F177 WeakPolarHBondContact CA-O 3.33Å; F175-F177 PolarHBondContact O-N 2.85Å
178	A	88.4	Confident	90.1	Very high	3 Å²	3	35 Å²	35	3%	0.025	18%	0.176	C	C	.	.			trans	-119	110.6	-178	0	0	0	0	0	110	L157 F175 L180	L157-A178 HydrophobicContact CB-CB 4.29Å; F175-A178 PolarHBondContact O-N 2.87Å; A178-L180 HydrophobicContact CB-CG 4.5Å; A178-L180 PolarHBondContact O-N 3.18Å
179	S	86.8	Confident	90.3	Very high	53 Å²	53	39.4 Å²	39.4	37%	0.371	19%	0.185	S	C	.	.			trans	-83	64	-176.7	-175.2	0	0	0	0	111.5	L157 R204	L157-S179 CarbonylContact O-C 3.5Å; S179-R204 PolarHBondContact OG-NH1 3.26Å
180	L	90.3	Very high	90.5	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	16%	0.163	C	C	.	.			trans	-56.2	142	-177.6	-64.1	-179.9	0	0	0	112.7	L157 L160 F175 A178 L183 V205	L157-L180 HydrophobicContact CB-CD2 4.4Å; L157-L180 HydrophobicContact CD2-CD2 3.99Å; L157-L180 HydrophobicContact CG-CD2 3.8Å; L160-L180 HydrophobicContact CB-CD1 4.31Å; L160-L180 HydrophobicContact CB-CD2 3.87Å; L160-L180 HydrophobicContact CD2-CD1 4.18Å; F175-L180 HydrophobicContact CD1-CD1 3.61Å; F175-L180 HydrophobicContact CE1-CD1 3.75Å; F175-L180 HydrophobicContact CG-CD1 4.12Å; F175-L180 HydrophobicContact CZ-CD1 4.34Å; A178-L180 HydrophobicContact CB-CG 4.5Å; A178-L180 PolarHBondContact O-N 3.18Å; L180-L183 HydrophobicContact CD1-CB 4.44Å; L180-L183 HydrophobicContact CD1-CD1 4.28Å; L180-L183 HydrophobicContact CD1-CD2 4.28Å; L180-V205 HydrophobicContact CB-CG2 4.21Å; L180-V205 WeakPolarHBondContact O-CG2 3.29Å
181	T	87.6	Confident	90.4	Very high	23 Å²	23	38.6 Å²	38.6	14%	0.141	18%	0.182	C	C	.	.	S	Bend	trans	-115	-29.7	173.3	60.3	0	0	0	0	111.5	K158 V206 E207	K158-T181 HydrophobicContact CB-CG2 4.46Å; K158-T181 PolarHBondContact O-N 3.15Å; K158-T181 PolarHBondContact O-OG1 3.44Å; T181-V206 PolarHBondContact O-N 3.33Å; T181-E207 PolarHBondContact O-N 3.2Å
182	H	84.4	Confident	90.3	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.4	178.8	-61.9	72	0	0	0	108.7	K158 V159 L160 E207 P822	K158-H182 PolarHBondContact O-N 2.89Å; V159-H182 HydrophobicContact CB-CB 4.46Å; V159-H182 HydrophobicContact CG1-CB 4.18Å; V159-H182 HydrophobicContact CG2-CB 4.16Å; L160-H182 PolarHBondContact N-O 3.28Å; H182-E207 WeakPolarHBondContact CA-O 3.34Å; H182-E207 HydrophobicContact CB-CB 4.48Å; H182-E207 VanDerWaalsContact CD2-CB 3.48Å; H182-E207 WeakPolarHBondContact CD2-CB 3.45Å; H182-E207 IonicContact CD2-OE2 2.69Å; H182-P822 HydrophobicContact CB-CG 4.16Å
183	L	92.7	Very high	90.4	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	113.8	179.2	176.9	58.2	0	0	0	110	L160 F175 L180 I185 I202 E207 L208 Q209	L160-L183 HydrophobicContact CB-CD1 4.06Å; L160-L183 HydrophobicContact CD2-CD1 3.96Å; L160-L183 HydrophobicContact CG-CD1 3.99Å; L160-L183 WeakPolarHBondContact O-CA 3.32Å; F175-L183 HydrophobicContact CE2-CD2 3.98Å; F175-L183 HydrophobicContact CZ-CD1 4.39Å; F175-L183 HydrophobicContact CZ-CD2 3.93Å; L180-L183 HydrophobicContact CD1-CB 4.44Å; L180-L183 HydrophobicContact CD1-CD1 4.28Å; L180-L183 HydrophobicContact CD1-CD2 4.28Å; L183-I185 HydrophobicContact CD1-CG2 3.83Å; L183-I185 HydrophobicContact CG-CG2 4.17Å; L183-I202 HydrophobicContact CD2-CD1 4.22Å; L183-E207 PolarHBondContact N-O 3.49Å; L183-L208 HydrophobicContact CB-CD1 3.85Å; L183-L208 HydrophobicContact CD2-CD1 3.77Å; L183-L208 HydrophobicContact CG-CD1 3.84Å; L183-L208 WeakPolarHBondContact O-CA 3.37Å; L183-Q209 PolarHBondContact O-N 3.43Å
184	D	88.6	Confident	90.4	Very high	10 Å²	10	40 Å²	40	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.9	171.9	-175.5	6.2	0	0	0	110.3	L160 I161 L162 N163 R186 Q209	L160-D184 PolarHBondContact O-N 2.87Å; I161-D184 HydrophobicContact CG2-CB 4.41Å; L162-D184 WeakPolarHBondContact CA-O 3.34Å; L162-D184 PolarHBondContact N-O 3.46Å; N163-D184 WeakPolarHBondContact CB-OD2 3.17Å; N163-D184 PolarHBondContact OD1-OD2 2.78Å; D184-R186 WeakPolarHBondContact OD1-CB 3.36Å; D184-R186 VanDerWaalsContact OD1-CG 3.24Å; D184-R186 WeakPolarHBondContact OD1-CG 3.35Å; D184-R186 IonicContact OD1-CZ 2.77Å; D184-R186 PolarHBondContact OD1-N 3.28Å; D184-R186 IonicContact OD1-NE 2.66Å; D184-R186 PolarHBondContact OD1-NE 2.88Å; D184-R186 IonicContact OD1-NH2 2.71Å; D184-R186 IonicContact OD2-CZ 2.79Å; D184-R186 VanDerWaalsContact OD2-CZ 3.31Å; D184-R186 IonicContact OD2-NE 2.63Å; D184-R186 PolarHBondContact OD2-NE 3.42Å; D184-R186 IonicContact OD2-NH2 3.49Å; D184-R186 PolarHBondContact OD2-NH2 3.48Å; D184-Q209 HydrophobicContact CB-CB 4.29Å; D184-Q209 PolarHBondContact OD1-OE1 2.92Å; D184-Q209 PolarHBondContact OD2-OE1 3.42Å; D184-Q209 VanDerWaalsContact OD2-OE1 3.09Å
185	I	94.3	Very high	90.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	21%	0.209	C	C	.	.			trans	-126.5	21.8	176.2	54.6	168.7	0	0	0	112.1	L162 L183 N188 I190 L193 Q209 L210 N213	L162-I185 HydrophobicContact CB-CG2 4.38Å; L183-I185 HydrophobicContact CD1-CG2 3.83Å; L183-I185 HydrophobicContact CG-CG2 4.17Å; I185-N188 WeakPolarHBondContact O-CB 3.13Å; I185-N188 PolarHBondContact O-ND2 3.44Å; I185-I190 HydrophobicContact CB-CD1 4.24Å; I185-I190 HydrophobicContact CD1-CD1 3.84Å; I185-L193 HydrophobicContact CD1-CD1 4.27Å; I185-Q209 VanDerWaalsContact CG1-O 3.26Å; I185-Q209 WeakPolarHBondContact CG1-O 3.45Å; I185-Q209 PolarHBondContact N-O 2.94Å; I185-L210 HydrophobicContact CD1-CD2 3.74Å; I185-L210 HydrophobicContact CG1-CD2 4.01Å; I185-N213 PolarHBondContact O-ND2 3.48Å
186	R	89.4	Confident	89.9	Confident	74 Å²	74	51.7 Å²	51.7	28%	0.279	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	161.3	179.7	-69.6	176.1	-66.2	161.9	-5.1	113.6	N163 D164 D184 N188 Q209 E211	N163-R186 CarbonylContact C-O 3.52Å; N163-R186 WeakPolarHBondContact CA-O 3.23Å; N163-R186 HydrophobicContact CB-CB 4.1Å; D164-R186 PolarHBondContact N-O 3.35Å; D184-R186 WeakPolarHBondContact OD1-CB 3.36Å; D184-R186 VanDerWaalsContact OD1-CG 3.24Å; D184-R186 WeakPolarHBondContact OD1-CG 3.35Å; D184-R186 IonicContact OD1-CZ 2.77Å; D184-R186 PolarHBondContact OD1-N 3.28Å; D184-R186 IonicContact OD1-NE 2.66Å; D184-R186 PolarHBondContact OD1-NE 2.88Å; D184-R186 IonicContact OD1-NH2 2.71Å; D184-R186 IonicContact OD2-CZ 2.79Å; D184-R186 VanDerWaalsContact OD2-CZ 3.31Å; D184-R186 IonicContact OD2-NE 2.63Å; D184-R186 PolarHBondContact OD2-NE 3.42Å; D184-R186 IonicContact OD2-NH2 3.49Å; D184-R186 PolarHBondContact OD2-NH2 3.48Å; R186-N188 PolarHBondContact O-N 2.9Å; R186-N188 VanDerWaalsContact O-N 3.11Å; R186-N188 PolarHBondContact O-ND2 3.3Å; R186-Q209 HydrophobicContact CG-CB 3.79Å; R186-E211 VanDerWaalsContact CA-O 3.26Å; R186-E211 WeakPolarHBondContact CA-O 3.47Å; R186-E211 WeakPolarHBondContact CD-OE2 3.16Å; R186-E211 HydrophobicContact CG-CB 3.92Å; R186-E211 WeakPolarHBondContact CG-OE2 3.33Å
187	G	88.4	Confident	89.6	Confident	20 Å²	20	45.2 Å²	45.2	21%	0.206	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	25.3	172.2	0	0	0	0	0	113.8	N165 E211 D212	N165-G187 PolarHBondContact N-O 3.47Å; G187-E211 PolarHBondContact N-O 2.88Å; G187-D212 CarbonylContact C-O 3.44Å; G187-D212 WeakPolarHBondContact CA-O 3.07Å; G187-D212 PolarHBondContact N-O 3.31Å
188	N	95.1	Very high	89.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-104.8	-170.6	-179.6	-88.1	-87	0	0	0	110.8	L162 N165 I167 I185 R186 I190 D212 N213 P214	L162-N188 PolarHBondContact O-ND2 2.95Å; N165-N188 VanDerWaalsContact C-OD1 3.24Å; N165-N188 WeakPolarHBondContact CB-OD1 3.17Å; I167-N188 VanDerWaalsContact CB-OD1 3.23Å; I167-N188 WeakPolarHBondContact CB-OD1 3.34Å; I167-N188 VanDerWaalsContact CG1-OD1 3.29Å; I167-N188 WeakPolarHBondContact CG1-OD1 3.48Å; I167-N188 PolarHBondContact N-OD1 2.86Å; I185-N188 WeakPolarHBondContact O-CB 3.13Å; I185-N188 PolarHBondContact O-ND2 3.44Å; R186-N188 PolarHBondContact O-N 2.9Å; R186-N188 VanDerWaalsContact O-N 3.11Å; R186-N188 PolarHBondContact O-ND2 3.3Å; N188-I190 HydrophobicContact CB-CD1 4.41Å; N188-I190 HydrophobicContact CB-CG1 4.26Å; N188-D212 PolarHBondContact N-O 3.03Å; N188-N213 WeakPolarHBondContact CA-OD1 3.03Å; N188-N213 WeakPolarHBondContact CB-OD1 3.4Å; N188-N213 PolarHBondContact O-OD1 3.37Å; N188-P214 VanDerWaalsContact O-CD 3.27Å; N188-P214 WeakPolarHBondContact O-CD 3.46Å
189	R	94.7	Very high	89.7	Confident	139 Å²	139	40.7 Å²	40.7	53%	0.525	20%	0.196	S	C	.	.			trans	-113.3	24.3	-179	-59.5	-60.1	178.1	175.4	-3.9	112.6	I167 S168 Q191 P214	I167-R189 CarbonylContact O-C 3.09Å; I167-R189 VanDerWaalsContact O-CA 3.26Å; I167-R189 WeakPolarHBondContact O-CA 3.25Å; I167-R189 PolarHBondContact O-N 3.34Å; S168-R189 WeakPolarHBondContact CA-O 3.18Å; R189-Q191 PolarHBondContact O-N 3.46Å; R189-P214 HydrophobicContact CB-CG 4.48Å
190	I	94.6	Very high	89.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.			trans	-74.1	118.5	-176.2	-58.4	172.3	0	0	0	109.4	I167 L170 I185 N188 K192 L193 N213 W215	I167-I190 HydrophobicContact CG2-CD1 4.29Å; I167-I190 HydrophobicContact CG2-CG1 4.23Å; I167-I190 WeakPolarHBondContact O-CG1 3.22Å; I167-I190 PolarHBondContact O-N 2.87Å; L170-I190 HydrophobicContact CG-CD1 4.33Å; I185-I190 HydrophobicContact CB-CD1 4.24Å; I185-I190 HydrophobicContact CD1-CD1 3.84Å; N188-I190 HydrophobicContact CB-CD1 4.41Å; N188-I190 HydrophobicContact CB-CG1 4.26Å; I190-K192 WeakPolarHBondContact CG2-O 3.4Å; I190-L193 HydrophobicContact CG2-CD2 4.03Å; I190-L193 HydrophobicContact CG2-CG 4.26Å; I190-N213 WeakPolarHBondContact CB-OD1 3.43Å; I190-N213 PolarHBondContact N-OD1 2.9Å; I190-N213 VanDerWaalsContact N-OD1 3.07Å; I190-W215 HydrophobicContact CB-CH2 4.34Å; I190-W215 HydrophobicContact CG2-CH2 3.81Å; I190-W215 HydrophobicContact CG2-CZ3 3.75Å
191	Q	91.7	Very high	89.5	Confident	100 Å²	100	44.7 Å²	44.7	47%	0.467	21%	0.209	S	C	.	.			trans	-91.4	-28	178.1	-63	-175.1	2.1	0	0	112.9	R189 P214 N216	R189-Q191 PolarHBondContact O-N 3.46Å; Q191-P214 WeakPolarHBondContact CA-O 3.07Å; Q191-P214 HydrophobicContact CG-CG 4.23Å; Q191-N216 HydrophobicContact CB-CB 3.97Å; Q191-N216 PolarHBondContact O-N 2.97Å
192	K	90.9	Very high	89.3	Confident	102 Å²	102	43.9 Å²	43.9	44%	0.443	20%	0.203	S	C	.	.			trans	-154.2	150	-177.7	61.1	-178	179.3	-171	0	113.1	I190 D220 L221	I190-K192 WeakPolarHBondContact CG2-O 3.4Å; K192-D220 HydrophobicContact CD-CB 3.72Å; K192-D220 WeakPolarHBondContact CD-OD2 3.29Å; K192-D220 IonicContact NZ-OD2 2.77Å; K192-D220 PolarHBondContact NZ-OD2 2.92Å; K192-L221 HydrophobicContact CB-CD1 4.02Å
193	L	91.6	Very high	88.7	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.226	C	C	.	.			trans	-120.1	113.9	170.9	-69.6	175.2	0	0	0	109.4	L170 I185 I190 V198 L199 L210 W215 L224	L170-L193 HydrophobicContact CD1-CD2 3.8Å; L170-L193 HydrophobicContact CG-CD2 4.33Å; I185-L193 HydrophobicContact CD1-CD1 4.27Å; I190-L193 HydrophobicContact CG2-CD2 4.03Å; I190-L193 HydrophobicContact CG2-CG 4.26Å; L193-V198 HydrophobicContact CD2-CG1 4.31Å; L193-L199 HydrophobicContact CB-CD1 4.29Å; L193-L199 HydrophobicContact CB-CD2 4.1Å; L193-L199 HydrophobicContact CB-CG 4.25Å; L193-L199 HydrophobicContact CD1-CD2 4.12Å; L193-L210 HydrophobicContact CD1-CD2 4.23Å; L193-W215 HydrophobicContact CD1-CH2 3.67Å; L193-W215 HydrophobicContact CD1-CZ3 4.19Å; L193-W215 HydrophobicContact CG-CH2 3.78Å; L193-W215 HydrophobicContact CG-CZ3 3.88Å; L193-L224 HydrophobicContact CB-CD1 4.34Å; L193-L224 HydrophobicContact CB-CD2 4.37Å; L193-L224 HydrophobicContact CD1-CD1 4.06Å; L193-L224 HydrophobicContact CD1-CD2 4.28Å
194	P	88.8	Confident	87.9	Confident	51 Å²	51	54.4 Å²	54.4	33%	0.331	26%	0.259	S	S	.	.			trans	-73	150.6	176.2	31.6	-34.6	0	0	0	110.8	V198 L199	P194-V198 HydrophobicContact CG-CB 4.3Å; P194-V198 HydrophobicContact CG-CG2 3.93Å; P194-L199 WeakPolarHBondContact O-CG 3.33Å; P194-L199 PolarHBondContact O-N 2.95Å
195	Y	87	Confident	87.5	Confident	119 Å²	119	54.2 Å²	54.2	47%	0.467	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-54.5	174.8	179.4	-85	0	0	0	111.6	V198 L199 E200	Y195-V198 PolarHBondContact O-N 3.22Å; Y195-L199 HydrophobicContact CD2-CB 4.23Å; Y195-L199 PolarHBondContact O-N 3.15Å; Y195-L199 VanDerWaalsContact O-N 3.16Å; Y195-E200 HydrophobicContact CD1-CB 4.29Å; Y195-E200 HydrophobicContact CE1-CB 3.84Å; Y195-E200 PolarHBondContact O-N 3.48Å
196	I	85.4	Confident	86.8	Confident	131 Å²	131	55.8 Å²	55.8	67%	0.672	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	134.9	176.1	-56.2	172.1	0	0	0	108.7	V198	I196-V198 PolarHBondContact O-N 3.11Å; I196-V198 VanDerWaalsContact O-N 3.1Å
197	G	83.4	Confident	86.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-21.6	-179.8	0	0	0	0	0	116.1	N173 E200 H201	N173-G197 WeakPolarHBondContact CA-O 3.45Å; N173-G197 PolarHBondContact N-O 3.26Å; G197-E200 VanDerWaalsContact CA-OE1 3.31Å; G197-E200 WeakPolarHBondContact CA-OE1 3.43Å; G197-E200 PolarHBondContact N-OE1 2.84Å; G197-H201 PolarHBondContact O-CD2 3.07Å
198	V	89.4	Confident	86.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-78.7	-178.4	-175.8	0	0	0	0	111.3	L170 F175 L193 P194 Y195 I196 E200 H201 I202	L170-V198 HydrophobicContact CB-CG2 4.35Å; L170-V198 HydrophobicContact CD1-CG1 4.22Å; F175-V198 HydrophobicContact CD2-CG1 4.29Å; F175-V198 HydrophobicContact CE2-CG1 4.13Å; L193-V198 HydrophobicContact CD2-CG1 4.31Å; P194-V198 HydrophobicContact CG-CB 4.3Å; P194-V198 HydrophobicContact CG-CG2 3.93Å; Y195-V198 PolarHBondContact O-N 3.22Å; I196-V198 PolarHBondContact O-N 3.11Å; I196-V198 VanDerWaalsContact O-N 3.1Å; V198-E200 PolarHBondContact O-N 2.91Å; V198-E200 VanDerWaalsContact O-N 3.15Å; V198-H201 PolarHBondContact O-N 3.47Å; V198-H201 VanDerWaalsContact O-N 3.09Å; V198-I202 HydrophobicContact CG1-CD1 3.96Å; V198-I202 WeakPolarHBondContact O-CG1 3.4Å
199	L	88.3	Confident	85.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-63.9	-24.9	-171.3	-56.2	166.6	0	0	0	113.7	L193 P194 Y195 H201 I202 L224 W227	L193-L199 HydrophobicContact CB-CD1 4.29Å; L193-L199 HydrophobicContact CB-CD2 4.1Å; L193-L199 HydrophobicContact CB-CG 4.25Å; L193-L199 HydrophobicContact CD1-CD2 4.12Å; P194-L199 WeakPolarHBondContact O-CG 3.33Å; P194-L199 PolarHBondContact O-N 2.95Å; Y195-L199 HydrophobicContact CD2-CB 4.23Å; Y195-L199 PolarHBondContact O-N 3.15Å; Y195-L199 VanDerWaalsContact O-N 3.16Å; L199-H201 PolarHBondContact O-N 3.44Å; L199-I202 HydrophobicContact CD2-CD1 4.32Å; L199-I202 PolarHBondContact O-N 3.27Å; L199-I202 VanDerWaalsContact O-N 3.14Å; L199-L224 HydrophobicContact CD1-CB 4.12Å; L199-L224 HydrophobicContact CD1-CD1 3.96Å; L199-L224 HydrophobicContact CD2-CD1 3.86Å; L199-W227 HydrophobicContact CB-CD2 4.49Å; L199-W227 HydrophobicContact CB-CG 4.1Å; L199-W227 HydrophobicContact CD1-CB 4.12Å; L199-W227 HydrophobicContact CD1-CG 4.22Å; L199-W227 HydrophobicContact CD2-CD2 4.24Å; L199-W227 HydrophobicContact CD2-CG 4.48Å; L199-W227 PolarHBondContact O-NE1 3.44Å; L199-W227 VanDerWaalsContact O-NE1 3.1Å
200	E	87.6	Confident	85.7	Confident	69 Å²	69	46.8 Å²	46.8	32%	0.322	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-59.7	-24.8	175.2	71.4	-173.3	178.6	0	0	113.7	Y195 G197 V198	Y195-E200 HydrophobicContact CD1-CB 4.29Å; Y195-E200 HydrophobicContact CE1-CB 3.84Å; Y195-E200 PolarHBondContact O-N 3.48Å; G197-E200 VanDerWaalsContact CA-OE1 3.31Å; G197-E200 WeakPolarHBondContact CA-OE1 3.43Å; G197-E200 PolarHBondContact N-OE1 2.84Å; V198-E200 PolarHBondContact O-N 2.91Å; V198-E200 VanDerWaalsContact O-N 3.15Å
201	H	86.7	Confident	85.3	Confident	75 Å²	75	48.4 Å²	48.4	35%	0.347	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-94.9	-10.4	178.3	-58	-53	0	0	0	113.6	F175 G197 V198 L199 G203	F175-H201 HydrophobicContact CB-CB 4.04Å; G197-H201 PolarHBondContact O-CD2 3.07Å; V198-H201 PolarHBondContact O-N 3.47Å; V198-H201 VanDerWaalsContact O-N 3.09Å; L199-H201 PolarHBondContact O-N 3.44Å; H201-G203 VanDerWaalsContact C-N 3.34Å; H201-G203 PolarHBondContact O-N 3.48Å
202	I	83.2	Confident	85.1	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.248	C	C	.	.			trans	-90.2	2.3	-171.7	-57.3	179.6	0	0	0	111.8	F175 L183 V198 L199 R204 V205 W227	F175-I202 HydrophobicContact CD2-CD1 3.72Å; F175-I202 HydrophobicContact CD2-CG1 3.85Å; F175-I202 HydrophobicContact CE2-CD1 3.78Å; F175-I202 HydrophobicContact CE2-CG1 4.38Å; L183-I202 HydrophobicContact CD2-CD1 4.22Å; V198-I202 HydrophobicContact CG1-CD1 3.96Å; V198-I202 WeakPolarHBondContact O-CG1 3.4Å; L199-I202 HydrophobicContact CD2-CD1 4.32Å; L199-I202 PolarHBondContact O-N 3.27Å; L199-I202 VanDerWaalsContact O-N 3.14Å; I202-R204 PolarHBondContact O-N 3.34Å; I202-V205 HydrophobicContact CG2-CB 4.15Å; I202-V205 HydrophobicContact CG2-CG2 3.61Å; I202-V205 PolarHBondContact O-N 3.2Å; I202-W227 HydrophobicContact CB-CZ2 3.96Å; I202-W227 HydrophobicContact CG2-CH2 4.08Å; I202-W227 HydrophobicContact CG2-CZ2 3.67Å
203	G	70.9	Confident	85.2	Confident	53 Å²	53	45.3 Å²	45.3	55%	0.546	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	19.1	-175	0	0	0	0	0	118	H201	H201-G203 VanDerWaalsContact C-N 3.34Å; H201-G203 PolarHBondContact O-N 3.48Å
204	R	75.1	Confident	85.1	Confident	187 Å²	187	45.8 Å²	45.8	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.5	7.6	175.5	-70.3	-176.5	174	175.4	-2.7	113.8	S179 I202	S179-R204 PolarHBondContact OG-NH1 3.26Å; I202-R204 PolarHBondContact O-N 3.34Å
205	V	81.5	Confident	85.3	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.036	22%	0.216	C	C	.	.			trans	-74.9	138.7	-177.1	167.5	0	0	0	0	111.8	L180 I202 E207 L208 I235	L180-V205 HydrophobicContact CB-CG2 4.21Å; L180-V205 WeakPolarHBondContact O-CG2 3.29Å; I202-V205 HydrophobicContact CG2-CB 4.15Å; I202-V205 HydrophobicContact CG2-CG2 3.61Å; I202-V205 PolarHBondContact O-N 3.2Å; V205-E207 WeakPolarHBondContact CG1-O 3.48Å; V205-L208 HydrophobicContact CG1-CB 3.92Å; V205-I235 WeakPolarHBondContact O-CD1 3.49Å; V205-I235 WeakPolarHBondContact O-CG2 3.48Å
206	V	78.3	Confident	85.5	Confident	35 Å²	35	39.9 Å²	39.9	21%	0.212	21%	0.205	C	C	.	.	S	Bend	trans	-94.2	-36.1	172.2	-178.5	0	0	0	0	110.4	T181 I235 Y236	T181-V206 PolarHBondContact O-N 3.33Å; V206-I235 WeakPolarHBondContact O-CA 3.36Å; V206-I235 VanDerWaalsContact O-CG2 3.26Å; V206-I235 WeakPolarHBondContact O-CG2 3.39Å; V206-Y236 PolarHBondContact O-N 2.71Å
207	E	78.8	Confident	85.7	Confident	18 Å²	18	33.7 Å²	33.7	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.7	177.5	-166.6	177.5	-149.3	0	0	112.8	T181 H182 L183 V205 Q209 Y236	T181-E207 PolarHBondContact O-N 3.2Å; H182-E207 WeakPolarHBondContact CA-O 3.34Å; H182-E207 HydrophobicContact CB-CB 4.48Å; H182-E207 VanDerWaalsContact CD2-CB 3.48Å; H182-E207 WeakPolarHBondContact CD2-CB 3.45Å; H182-E207 IonicContact CD2-OE2 2.69Å; L183-E207 PolarHBondContact N-O 3.49Å; V205-E207 WeakPolarHBondContact CG1-O 3.48Å; E207-Q209 VanDerWaalsContact CD-NE2 3.29Å; E207-Q209 HydrophobicContact CG-CG 4.07Å; E207-Q209 PolarHBondContact OE1-NE2 2.99Å; E207-Y236 WeakPolarHBondContact CA-O 3.49Å; E207-Y236 HydrophobicContact CG-CD1 3.8Å; E207-Y236 HydrophobicContact CG-CG 4.41Å
208	L	88.8	Confident	86	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.9	173.9	180	63.6	0	0	0	110.8	L183 V205 L210 W227 Y236 I237 G238	L183-L208 HydrophobicContact CB-CD1 3.85Å; L183-L208 HydrophobicContact CD2-CD1 3.77Å; L183-L208 HydrophobicContact CG-CD1 3.84Å; L183-L208 WeakPolarHBondContact O-CA 3.37Å; V205-L208 HydrophobicContact CG1-CB 3.92Å; L208-L210 HydrophobicContact CD1-CD2 4.01Å; L208-L210 HydrophobicContact CD2-CD1 4.08Å; L208-L210 HydrophobicContact CD2-CD2 4.04Å; L208-L210 HydrophobicContact CD2-CG 4.21Å; L208-L210 HydrophobicContact CG-CD1 4.31Å; L208-L210 HydrophobicContact CG-CD2 3.8Å; L208-L210 HydrophobicContact CG-CG 3.92Å; L208-W227 HydrophobicContact CD2-CH2 3.41Å; L208-W227 VanDerWaalsContact CD2-CH2 3.41Å; L208-W227 HydrophobicContact CD2-CZ2 4.46Å; L208-W227 HydrophobicContact CD2-CZ3 3.51Å; L208-Y236 PolarHBondContact N-O 2.79Å; L208-I237 HydrophobicContact CB-CG2 4.34Å; L208-I237 HydrophobicContact CD2-CG2 4.43Å; L208-I237 CarbonylContact O-C 3.49Å; L208-I237 VanDerWaalsContact O-CA 3.3Å; L208-I237 WeakPolarHBondContact O-CA 3.36Å; L208-G238 PolarHBondContact O-N 3.02Å
209	Q	85.5	Confident	85.9	Confident	25 Å²	25	38 Å²	38	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.9	-179.2	-57	-177.7	-15	0	0	110.2	L183 D184 I185 R186 E207 E211 Y236	L183-Q209 PolarHBondContact O-N 3.43Å; D184-Q209 HydrophobicContact CB-CB 4.29Å; D184-Q209 PolarHBondContact OD1-OE1 2.92Å; D184-Q209 PolarHBondContact OD2-OE1 3.42Å; D184-Q209 VanDerWaalsContact OD2-OE1 3.09Å; I185-Q209 VanDerWaalsContact CG1-O 3.26Å; I185-Q209 WeakPolarHBondContact CG1-O 3.45Å; I185-Q209 PolarHBondContact N-O 2.94Å; R186-Q209 HydrophobicContact CG-CB 3.79Å; E207-Q209 VanDerWaalsContact CD-NE2 3.29Å; E207-Q209 HydrophobicContact CG-CG 4.07Å; E207-Q209 PolarHBondContact OE1-NE2 2.99Å; Q209-E211 WeakPolarHBondContact CA-OE2 3.49Å; Q209-Y236 HydrophobicContact CG-CE1 4.25Å
210	L	91.9	Very high	85.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.			trans	-132.1	-1.7	-165.4	-62.9	-178.5	0	0	0	113.8	I185 L193 L208 W215 L228 I237 A240	I185-L210 HydrophobicContact CD1-CD2 3.74Å; I185-L210 HydrophobicContact CG1-CD2 4.01Å; L193-L210 HydrophobicContact CD1-CD2 4.23Å; L208-L210 HydrophobicContact CD1-CD2 4.01Å; L208-L210 HydrophobicContact CD2-CD1 4.08Å; L208-L210 HydrophobicContact CD2-CD2 4.04Å; L208-L210 HydrophobicContact CD2-CG 4.21Å; L208-L210 HydrophobicContact CG-CD1 4.31Å; L208-L210 HydrophobicContact CG-CD2 3.8Å; L208-L210 HydrophobicContact CG-CG 3.92Å; L210-W215 HydrophobicContact CB-CZ2 4.12Å; L210-W215 HydrophobicContact CD2-CH2 4.44Å; L210-W215 HydrophobicContact CD2-CZ2 4.11Å; L210-W215 PolarHBondContact O-NE1 3.09Å; L210-L228 HydrophobicContact CD1-CD2 4.21Å; L210-I237 HydrophobicContact CD1-CG2 3.99Å; L210-A240 HydrophobicContact CB-CB 4.18Å; L210-A240 HydrophobicContact CD1-CB 4.23Å
211	E	86.6	Confident	85.9	Confident	34 Å²	34	38.6 Å²	38.6	16%	0.159	21%	0.209	C	C	.	.			trans	-61.1	165	-178.9	-59.1	89.3	151.9	0	0	112	R186 G187 Q209 N213 G238	R186-E211 VanDerWaalsContact CA-O 3.26Å; R186-E211 WeakPolarHBondContact CA-O 3.47Å; R186-E211 WeakPolarHBondContact CD-OE2 3.16Å; R186-E211 HydrophobicContact CG-CB 3.92Å; R186-E211 WeakPolarHBondContact CG-OE2 3.33Å; G187-E211 PolarHBondContact N-O 2.88Å; Q209-E211 WeakPolarHBondContact CA-OE2 3.49Å; E211-N213 PolarHBondContact O-N 3.43Å; E211-N213 VanDerWaalsContact O-N 3.09Å; E211-N213 PolarHBondContact O-ND2 2.92Å; E211-G238 WeakPolarHBondContact OE1-CA 3.23Å; E211-G238 WeakPolarHBondContact OE2-CA 3.32Å
212	D	87.8	Confident	86	Confident	131 Å²	131	37.6 Å²	37.6	70%	0.701	21%	0.205	S	C	*	.	S	Bend	trans	52.7	36.7	171.2	-50.5	-43.1	0	0	0	114.6	G187 N188	G187-D212 CarbonylContact C-O 3.44Å; G187-D212 WeakPolarHBondContact CA-O 3.07Å; G187-D212 PolarHBondContact N-O 3.31Å; N188-D212 PolarHBondContact N-O 3.03Å
213	N	91.7	Very high	86.3	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.032	22%	0.218	C	C	.	.	S	Bend	trans	-121.1	144.8	174.5	-87.4	-94.2	0	0	0	110.8	I185 N188 I190 E211 W215	I185-N213 PolarHBondContact O-ND2 3.48Å; N188-N213 WeakPolarHBondContact CA-OD1 3.03Å; N188-N213 WeakPolarHBondContact CB-OD1 3.4Å; N188-N213 PolarHBondContact O-OD1 3.37Å; I190-N213 WeakPolarHBondContact CB-OD1 3.43Å; I190-N213 PolarHBondContact N-OD1 2.9Å; I190-N213 VanDerWaalsContact N-OD1 3.07Å; E211-N213 PolarHBondContact O-N 3.43Å; E211-N213 VanDerWaalsContact O-N 3.09Å; E211-N213 PolarHBondContact O-ND2 2.92Å; N213-W215 HydrophobicContact CB-CD2 4.37Å; N213-W215 HydrophobicContact CB-CZ2 3.94Å; N213-W215 PolarHBondContact O-N 3.44Å
214	P	91.2	Very high	87.3	Confident	12 Å²	12	37 Å²	37	8%	0.078	19%	0.192	C	C	.	.			trans	-79.5	63.2	-174.3	34.5	-38.9	0	0	0	112.4	N188 R189 Q191 N216 E243	N188-P214 VanDerWaalsContact O-CD 3.27Å; N188-P214 WeakPolarHBondContact O-CD 3.46Å; R189-P214 HydrophobicContact CB-CG 4.48Å; Q191-P214 WeakPolarHBondContact CA-O 3.07Å; Q191-P214 HydrophobicContact CG-CG 4.23Å; P214-N216 PolarHBondContact O-N 2.95Å; P214-E243 VanDerWaalsContact CA-OE2 3.3Å; P214-E243 WeakPolarHBondContact CA-OE2 3.47Å; P214-E243 HydrophobicContact CB-CB 4.24Å; P214-E243 HydrophobicContact CB-CG 4.46Å; P214-E243 VanDerWaalsContact CB-OE2 3.31Å; P214-E243 WeakPolarHBondContact CB-OE2 3.49Å
215	W	93.1	Very high	87.9	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	122.5	-172.6	-65.6	107.8	0	0	0	112.3	I190 L193 L210 N213 C217 L221 L224 A240 I241 E243 T244	I190-W215 HydrophobicContact CB-CH2 4.34Å; I190-W215 HydrophobicContact CG2-CH2 3.81Å; I190-W215 HydrophobicContact CG2-CZ3 3.75Å; L193-W215 HydrophobicContact CD1-CH2 3.67Å; L193-W215 HydrophobicContact CD1-CZ3 4.19Å; L193-W215 HydrophobicContact CG-CH2 3.78Å; L193-W215 HydrophobicContact CG-CZ3 3.88Å; L210-W215 HydrophobicContact CB-CZ2 4.12Å; L210-W215 HydrophobicContact CD2-CH2 4.44Å; L210-W215 HydrophobicContact CD2-CZ2 4.11Å; L210-W215 PolarHBondContact O-NE1 3.09Å; N213-W215 HydrophobicContact CB-CD2 4.37Å; N213-W215 HydrophobicContact CB-CZ2 3.94Å; N213-W215 PolarHBondContact O-N 3.44Å; W215-C217 PolarHBondContact O-N 3.02Å; W215-L221 HydrophobicContact CB-CD2 4.06Å; W215-L221 HydrophobicContact CE3-CD1 3.82Å; W215-L221 HydrophobicContact CE3-CD2 4.4Å; W215-L221 HydrophobicContact CZ3-CD1 4.22Å; W215-L224 HydrophobicContact CE3-CD2 4.06Å; W215-L224 HydrophobicContact CH2-CD2 4.11Å; W215-L224 HydrophobicContact CZ3-CD2 3.77Å; W215-A240 HydrophobicContact CG-CB 4.49Å; W215-I241 WeakPolarHBondContact CB-O 3.45Å; W215-I241 VanDerWaalsContact CD1-O 3.29Å; W215-E243 PolarHBondContact O-N 3.38Å; W215-T244 PolarHBondContact O-N 2.81Å; W215-T244 VanDerWaalsContact O-N 3.12Å
216	N	91.1	Very high	88.2	Confident	46 Å²	46	29.7 Å²	29.7	25%	0.246	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	89.3	176.4	-178.3	-21.7	0	0	0	109.3	Q191 P214 S218 L221 T244	Q191-N216 HydrophobicContact CB-CB 3.97Å; Q191-N216 PolarHBondContact O-N 2.97Å; P214-N216 PolarHBondContact O-N 2.95Å; N216-S218 PolarHBondContact O-N 3.33Å; N216-S218 WeakPolarHBondContact OD1-CB 3.29Å; N216-S218 PolarHBondContact OD1-N 3.46Å; N216-S218 PolarHBondContact OD1-OG 3.41Å; N216-L221 WeakPolarHBondContact O-CB 3.18Å; N216-T244 CarbonylContact C-O 3.43Å; N216-T244 VanDerWaalsContact CA-OG1 3.31Å; N216-T244 WeakPolarHBondContact CA-OG1 3.5Å; N216-T244 WeakPolarHBondContact CB-OG1 3.4Å
217	C	89.3	Confident	88.7	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.007	16%	0.164	C	C	.	.			trans	-71.6	59.3	177.5	-69.8	0	0	0	0	112.6	W215 L221 C242 T244 P245 L248 L261	W215-C217 PolarHBondContact O-N 3.02Å; C217-L221 HydrophobicContact CB-CD2 4.34Å; C217-L221 VanDerWaalsContact SG-CD2 3.59Å; C217-C242 HydrophobicContact CB-CB 3.73Å; C217-C242 WeakPolarHBondContact CB-SG 3.21Å; C217-C242 VanDerWaalsContact SG-CA 3.5Å; C217-C242 WeakPolarHBondContact SG-CB 3.49Å; C217-C242 CovalentContact SG-SG 2.02Å; C217-C242 PolarHBondContact SG-SG 3.45Å; C217-T244 WeakPolarHBondContact CA-O 3.32Å; C217-T244 WeakPolarHBondContact CB-O 3.47Å; C217-T244 PolarHBondContact N-O 3.16Å; C217-P245 VanDerWaalsContact O-CD 3.3Å; C217-P245 WeakPolarHBondContact O-CD 3.5Å; C217-L248 HydrophobicContact CB-CB 4.3Å; C217-L248 HydrophobicContact CB-CD1 3.98Å; C217-L248 VanDerWaalsContact O-CD1 3.24Å; C217-L248 WeakPolarHBondContact O-CD1 3.46Å; C217-L261 VanDerWaalsContact C-CD2 3.45Å; C217-L261 HydrophobicContact CB-CD2 3.54Å; C217-L261 VanDerWaalsContact O-CD2 3.26Å; C217-L261 WeakPolarHBondContact O-CD2 3.43Å
218	S	89.1	Confident	89.1	Confident	37 Å²	37	28.3 Å²	28.3	26%	0.259	16%	0.162	S	C	.	.	S	Bend	trans	-106.9	-171.9	165.1	56.1	0	0	0	0	110.2	N216 D220 L221 L261	N216-S218 PolarHBondContact O-N 3.33Å; N216-S218 WeakPolarHBondContact OD1-CB 3.29Å; N216-S218 PolarHBondContact OD1-N 3.46Å; N216-S218 PolarHBondContact OD1-OG 3.41Å; S218-D220 PolarHBondContact O-N 2.86Å; S218-D220 VanDerWaalsContact O-N 3.09Å; S218-L221 PolarHBondContact O-N 3.39Å; S218-L261 CarbonylContact C-O 3.51Å
219	C	87.3	Confident	88.9	Confident	55 Å²	55	31.8 Å²	31.8	37%	0.372	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-51.2	-34	177.7	-83.5	0	0	0	0	114	L221 L222 L261 C262	C219-L221 PolarHBondContact O-N 3.21Å; C219-L221 VanDerWaalsContact O-N 3.11Å; C219-L222 WeakPolarHBondContact O-CB 3.44Å; C219-L222 PolarHBondContact O-N 3.45Å; C219-L222 VanDerWaalsContact O-N 3.09Å; C219-L261 PolarHBondContact N-O 3.35Å; C219-C262 WeakPolarHBondContact CA-SG 2.82Å; C219-C262 HydrophobicContact CB-CB 4.48Å; C219-C262 WeakPolarHBondContact CB-SG 3.46Å; C219-C262 WeakPolarHBondContact SG-CA 3.11Å; C219-C262 WeakPolarHBondContact SG-CB 3.3Å; C219-C262 CovalentContact SG-SG 2.04Å; C219-C262 PolarHBondContact SG-SG 3.48Å
220	D	86.3	Confident	88.7	Confident	82 Å²	82	37.1 Å²	37.1	44%	0.439	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20	179.8	-81	15.8	0	0	0	114	K192 S218 P223	K192-D220 HydrophobicContact CD-CB 3.72Å; K192-D220 WeakPolarHBondContact CD-OD2 3.29Å; K192-D220 IonicContact NZ-OD2 2.77Å; K192-D220 PolarHBondContact NZ-OD2 2.92Å; S218-D220 PolarHBondContact O-N 2.86Å; S218-D220 VanDerWaalsContact O-N 3.09Å; D220-P223 WeakPolarHBondContact O-CD 3.31Å
221	L	90.8	Very high	88	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-99.2	-5	-179.7	-152.7	64.5	0	0	0	113.7	K192 W215 N216 C217 S218 C219 P223 L224 K225 L253	K192-L221 HydrophobicContact CB-CD1 4.02Å; W215-L221 HydrophobicContact CB-CD2 4.06Å; W215-L221 HydrophobicContact CE3-CD1 3.82Å; W215-L221 HydrophobicContact CE3-CD2 4.4Å; W215-L221 HydrophobicContact CZ3-CD1 4.22Å; N216-L221 WeakPolarHBondContact O-CB 3.18Å; C217-L221 HydrophobicContact CB-CD2 4.34Å; C217-L221 VanDerWaalsContact SG-CD2 3.59Å; S218-L221 PolarHBondContact O-N 3.39Å; C219-L221 PolarHBondContact O-N 3.21Å; C219-L221 VanDerWaalsContact O-N 3.11Å; L221-P223 VanDerWaalsContact C-N 3.3Å; L221-L224 HydrophobicContact CD1-CB 4.07Å; L221-L224 HydrophobicContact CD1-CD2 3.74Å; L221-L224 HydrophobicContact CG-CB 4.33Å; L221-L224 HydrophobicContact CG-CD2 4.29Å; L221-L224 PolarHBondContact O-N 2.79Å; L221-K225 PolarHBondContact O-N 2.98Å; L221-L253 HydrophobicContact CD2-CD1 3.85Å; L221-L253 HydrophobicContact CD2-CD2 3.77Å; L221-L253 HydrophobicContact CD2-CG 4.41Å; L221-L253 HydrophobicContact CG-CD1 4.17Å; L221-L253 HydrophobicContact CG-CD2 3.83Å
222	L	88.6	Confident	87.2	Confident	54 Å²	54	40.2 Å²	40.2	28%	0.283	23%	0.227	S	C	.	.	H	α-helix	trans	-53.2	-37	172.4	-175.4	63.5	0	0	0	113.8	C219 K225 A226 K258 L261	C219-L222 WeakPolarHBondContact O-CB 3.44Å; C219-L222 PolarHBondContact O-N 3.45Å; C219-L222 VanDerWaalsContact O-N 3.09Å; L222-K225 PolarHBondContact O-N 3.39Å; L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 3.48Å; L222-K258 HydrophobicContact CD1-CB 3.87Å; L222-K258 HydrophobicContact CD1-CD 4.05Å; L222-K258 HydrophobicContact CD1-CG 3.67Å; L222-L261 HydrophobicContact CD1-CD1 4.42Å
223	P	89.4	Confident	85.8	Confident	45 Å²	45	45.1 Å²	45.1	29%	0.292	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-39.8	177.3	-17.4	31.3	0	0	0	112.8	D220 L221 A226 W227	D220-P223 WeakPolarHBondContact O-CD 3.31Å; L221-P223 VanDerWaalsContact C-N 3.3Å; P223-A226 PolarHBondContact O-N 3.12Å; P223-W227 WeakPolarHBondContact O-CB 3.35Å; P223-W227 PolarHBondContact O-N 3Å
224	L	90.9	Very high	84.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-43.5	173.6	178.8	61.4	0	0	0	110.8	L193 L199 W215 L221 A226 W227 L228 L253	L193-L224 HydrophobicContact CB-CD1 4.34Å; L193-L224 HydrophobicContact CB-CD2 4.37Å; L193-L224 HydrophobicContact CD1-CD1 4.06Å; L193-L224 HydrophobicContact CD1-CD2 4.28Å; L199-L224 HydrophobicContact CD1-CB 4.12Å; L199-L224 HydrophobicContact CD1-CD1 3.96Å; L199-L224 HydrophobicContact CD2-CD1 3.86Å; W215-L224 HydrophobicContact CE3-CD2 4.06Å; W215-L224 HydrophobicContact CH2-CD2 4.11Å; W215-L224 HydrophobicContact CZ3-CD2 3.77Å; L221-L224 HydrophobicContact CD1-CB 4.07Å; L221-L224 HydrophobicContact CD1-CD2 3.74Å; L221-L224 HydrophobicContact CG-CB 4.33Å; L221-L224 HydrophobicContact CG-CD2 4.29Å; L221-L224 PolarHBondContact O-N 2.79Å; L224-A226 PolarHBondContact O-N 3.43Å; L224-W227 WeakPolarHBondContact O-CB 3.32Å; L224-W227 PolarHBondContact O-N 3.13Å; L224-L228 HydrophobicContact CD1-CD1 4.28Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.21Å; L224-L228 PolarHBondContact O-N 3.4Å; L224-L253 HydrophobicContact CB-CD2 4.26Å; L224-L253 HydrophobicContact CD2-CD2 3.69Å; L224-L253 HydrophobicContact CG-CD2 3.8Å
225	K	88.6	Confident	83.4	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-48.8	175.2	-175.3	177.9	-161.3	-76.9	0	112.4	L221 L222 W227 L228 E229 L253 T256 K258 L261	L221-K225 PolarHBondContact O-N 2.98Å; L222-K225 PolarHBondContact O-N 3.39Å; K225-W227 PolarHBondContact O-N 3.05Å; K225-L228 PolarHBondContact O-N 2.96Å; K225-E229 IonicContact NZ-OE1 3.45Å; K225-E229 PolarHBondContact NZ-OE1 2.8Å; K225-E229 WeakPolarHBondContact O-CG 3.1Å; K225-E229 PolarHBondContact O-N 3.12Å; K225-L253 HydrophobicContact CB-CD1 4.09Å; K225-L253 HydrophobicContact CB-CG 4.18Å; K225-L253 VanDerWaalsContact CE-O 3.3Å; K225-L253 WeakPolarHBondContact CE-O 3.49Å; K225-T256 WeakPolarHBondContact CE-O 3.35Å; K225-T256 WeakPolarHBondContact CE-OG1 3.47Å; K225-T256 PolarHBondContact NZ-O 3.22Å; K225-K258 HydrophobicContact CD-CG 4.31Å; K225-L261 HydrophobicContact CB-CD1 4.26Å; K225-L261 HydrophobicContact CD-CD1 3.59Å
226	A	87.5	Confident	82.4	Confident	31 Å²	31	55.9 Å²	55.9	26%	0.256	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-34.1	179.9	0	0	0	0	0	112.1	L222 P223 L224 N230	L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 3.48Å; P223-A226 PolarHBondContact O-N 3.12Å; L224-A226 PolarHBondContact O-N 3.43Å; A226-N230 VanDerWaalsContact O-CG 3.29Å; A226-N230 PolarHBondContact O-N 2.79Å; A226-N230 PolarHBondContact O-ND2 3.36Å; A226-N230 VanDerWaalsContact O-ND2 3.11Å
227	W	88.5	Confident	81.9	Confident	17 Å²	17	55.6 Å²	55.6	6%	0.064	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-45.9	172.7	-172	97.9	0	0	0	111.7	L199 I202 L208 P223 L224 K225 E229 N230 M231 I237	L199-W227 HydrophobicContact CB-CD2 4.49Å; L199-W227 HydrophobicContact CB-CG 4.1Å; L199-W227 HydrophobicContact CD1-CB 4.12Å; L199-W227 HydrophobicContact CD1-CG 4.22Å; L199-W227 HydrophobicContact CD2-CD2 4.24Å; L199-W227 HydrophobicContact CD2-CG 4.48Å; L199-W227 PolarHBondContact O-NE1 3.44Å; L199-W227 VanDerWaalsContact O-NE1 3.1Å; I202-W227 HydrophobicContact CB-CZ2 3.96Å; I202-W227 HydrophobicContact CG2-CH2 4.08Å; I202-W227 HydrophobicContact CG2-CZ2 3.67Å; L208-W227 HydrophobicContact CD2-CH2 3.41Å; L208-W227 VanDerWaalsContact CD2-CH2 3.41Å; L208-W227 HydrophobicContact CD2-CZ2 4.46Å; L208-W227 HydrophobicContact CD2-CZ3 3.51Å; P223-W227 WeakPolarHBondContact O-CB 3.35Å; P223-W227 PolarHBondContact O-N 3Å; L224-W227 WeakPolarHBondContact O-CB 3.32Å; L224-W227 PolarHBondContact O-N 3.13Å; K225-W227 PolarHBondContact O-N 3.05Å; W227-E229 VanDerWaalsContact C-N 3.29Å; W227-E229 PolarHBondContact O-N 3.13Å; W227-N230 PolarHBondContact O-N 3.01Å; W227-N230 VanDerWaalsContact O-N 3.14Å; W227-M231 HydrophobicContact CD2-CE 4.11Å; W227-M231 HydrophobicContact CD2-CG 4.26Å; W227-M231 HydrophobicContact CE3-CG 4.09Å; W227-M231 HydrophobicContact CH2-CE 4.05Å; W227-M231 HydrophobicContact CH2-CG 4.1Å; W227-M231 HydrophobicContact CZ2-CE 3.39Å; W227-M231 HydrophobicContact CZ2-CG 4.33Å; W227-M231 HydrophobicContact CZ3-CG 3.99Å; W227-M231 PolarHBondContact O-N 3.15Å; W227-I237 HydrophobicContact CZ3-CD1 4.17Å
228	L	86.8	Confident	81.2	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-24	177.1	-69.5	171.9	0	0	0	114.6	L210 L224 K225 I237 L253 K254	L210-L228 HydrophobicContact CD1-CD2 4.21Å; L224-L228 HydrophobicContact CD1-CD1 4.28Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.21Å; L224-L228 PolarHBondContact O-N 3.4Å; K225-L228 PolarHBondContact O-N 2.96Å; L228-I237 HydrophobicContact CD2-CD1 4.31Å; L228-I237 HydrophobicContact CD2-CG2 3.53Å; L228-L253 HydrophobicContact CD1-CD2 3.8Å; L228-L253 HydrophobicContact CD1-CG 4.3Å; L228-K254 PolarHBondContact O-NZ 3.07Å
229	E	84.2	Confident	80.9	Confident	75 Å²	75	57.3 Å²	57.3	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-76.5	-32.5	172.7	-75.3	173	160.6	0	0	112.5	K225 W227 K258	K225-E229 IonicContact NZ-OE1 3.45Å; K225-E229 PolarHBondContact NZ-OE1 2.8Å; K225-E229 WeakPolarHBondContact O-CG 3.1Å; K225-E229 PolarHBondContact O-N 3.12Å; W227-E229 VanDerWaalsContact C-N 3.29Å; W227-E229 PolarHBondContact O-N 3.13Å; E229-K258 WeakPolarHBondContact OE1-CE 3.4Å; E229-K258 IonicContact OE1-NZ 3.31Å; E229-K258 WeakPolarHBondContact OE2-CE 3.3Å; E229-K258 IonicContact OE2-NZ 3.4Å; E229-K258 PolarHBondContact OE2-NZ 2.84Å
230	N	82.8	Confident	80.9	Confident	136 Å²	136	54.8 Å²	54.8	73%	0.727	28%	0.275	S	S	*	.	H	α-helix	trans	-90.8	-12.2	-174.7	-71.1	-26.1	0	0	0	114	A226 W227	A226-N230 VanDerWaalsContact O-CG 3.29Å; A226-N230 PolarHBondContact O-N 2.79Å; A226-N230 PolarHBondContact O-ND2 3.36Å; A226-N230 VanDerWaalsContact O-ND2 3.11Å; W227-N230 PolarHBondContact O-N 3.01Å; W227-N230 VanDerWaalsContact O-N 3.14Å
231	M	77.1	Confident	80.8	Confident	33 Å²	33	54.6 Å²	54.6	16%	0.163	27%	0.274	C	S	.	.	S	Bend	trans	-76.2	136.8	-179.6	-78.8	-59.7	169.2	0	0	113	W227 I235 I237	W227-M231 HydrophobicContact CD2-CE 4.11Å; W227-M231 HydrophobicContact CD2-CG 4.26Å; W227-M231 HydrophobicContact CE3-CG 4.09Å; W227-M231 HydrophobicContact CH2-CE 4.05Å; W227-M231 HydrophobicContact CH2-CG 4.1Å; W227-M231 HydrophobicContact CZ2-CE 3.39Å; W227-M231 HydrophobicContact CZ2-CG 4.33Å; W227-M231 HydrophobicContact CZ3-CG 3.99Å; W227-M231 PolarHBondContact O-N 3.15Å; M231-I235 HydrophobicContact CB-CD1 4.41Å; M231-I235 HydrophobicContact CG-CD1 4.49Å; M231-I235 HydrophobicContact SD-CD1 3.72Å; M231-I237 HydrophobicContact CB-CD1 3.73Å; M231-I237 HydrophobicContact CG-CD1 4.09Å
232	P	70.1	Confident	80.6	Confident	66 Å²	66	54.6 Å²	54.6	43%	0.429	27%	0.274	S	S	.	.			trans	-71.5	150.6	-176.8	30.6	-37.6	0	0	0	113.1	N234 I235	P232-N234 WeakPolarHBondContact CB-OD1 3.18Å; P232-N234 WeakPolarHBondContact CG-OD1 3.25Å; P232-N234 PolarHBondContact O-N 2.88Å; P232-I235 HydrophobicContact CG-CD1 3.8Å; P232-I235 HydrophobicContact CG-CG1 4.19Å; P232-I235 PolarHBondContact O-N 3.37Å
233	Y	57.8	Low	80.4	Confident	234 Å²	234	56 Å²	56	92%	0.918	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-1.1	-171	-58.2	-86.4	0	0	0	116.3
234	N	63.1	Low	79.9	Confident	128 Å²	128	56.5 Å²	56.5	68%	0.684	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-5.5	177.8	67.3	-60.4	0	0	0	113.8	P232	P232-N234 WeakPolarHBondContact CB-OD1 3.18Å; P232-N234 WeakPolarHBondContact CG-OD1 3.25Å; P232-N234 PolarHBondContact O-N 2.88Å
235	I	69.2	Low	79.3	Confident	33 Å²	33	58.9 Å²	58.9	17%	0.169	30%	0.297	C	S	.	.	S	Bend	trans	-88.1	132.2	173.4	-58.5	174.4	0	0	0	108	V205 V206 M231 P232 I237	V205-I235 WeakPolarHBondContact O-CD1 3.49Å; V205-I235 WeakPolarHBondContact O-CG2 3.48Å; V206-I235 WeakPolarHBondContact O-CA 3.36Å; V206-I235 VanDerWaalsContact O-CG2 3.26Å; V206-I235 WeakPolarHBondContact O-CG2 3.39Å; M231-I235 HydrophobicContact CB-CD1 4.41Å; M231-I235 HydrophobicContact CG-CD1 4.49Å; M231-I235 HydrophobicContact SD-CD1 3.72Å; P232-I235 HydrophobicContact CG-CD1 3.8Å; P232-I235 HydrophobicContact CG-CG1 4.19Å; P232-I235 PolarHBondContact O-N 3.37Å; I235-I237 HydrophobicContact CB-CD1 4.44Å; I235-I237 HydrophobicContact CB-CG1 4.27Å; I235-I237 HydrophobicContact CG2-CD1 4Å; I235-I237 HydrophobicContact CG2-CG1 3.58Å; I235-I237 PolarHBondContact O-N 2.77Å
236	Y	72.9	Confident	78.6	Confident	84 Å²	84	63.3 Å²	63.3	33%	0.329	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.4	168.1	-177.6	-86.9	0	0	0	109.1	V206 E207 L208 Q209	V206-Y236 PolarHBondContact O-N 2.71Å; E207-Y236 WeakPolarHBondContact CA-O 3.49Å; E207-Y236 HydrophobicContact CG-CD1 3.8Å; E207-Y236 HydrophobicContact CG-CG 4.41Å; L208-Y236 PolarHBondContact N-O 2.79Å; Q209-Y236 HydrophobicContact CG-CE1 4.25Å
237	I	80.6	Confident	78	Confident	41 Å²	41	68.1 Å²	68.1	21%	0.21	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.5	177.1	-49.5	176.4	0	0	0	109.2	L208 L210 W227 L228 M231 I235	L208-I237 HydrophobicContact CB-CG2 4.34Å; L208-I237 HydrophobicContact CD2-CG2 4.43Å; L208-I237 CarbonylContact O-C 3.49Å; L208-I237 VanDerWaalsContact O-CA 3.3Å; L208-I237 WeakPolarHBondContact O-CA 3.36Å; L210-I237 HydrophobicContact CD1-CG2 3.99Å; W227-I237 HydrophobicContact CZ3-CD1 4.17Å; L228-I237 HydrophobicContact CD2-CD1 4.31Å; L228-I237 HydrophobicContact CD2-CG2 3.53Å; M231-I237 HydrophobicContact CB-CD1 3.73Å; M231-I237 HydrophobicContact CG-CD1 4.09Å; I235-I237 HydrophobicContact CB-CD1 4.44Å; I235-I237 HydrophobicContact CB-CG1 4.27Å; I235-I237 HydrophobicContact CG2-CD1 4Å; I235-I237 HydrophobicContact CG2-CG1 3.58Å; I235-I237 PolarHBondContact O-N 2.77Å
238	G	73.6	Confident	77.4	Confident	7 Å²	7	67.7 Å²	67.7	7%	0.072	35%	0.349	C	S	.	.			trans	-65.9	156.6	-176.9	0	0	0	0	0	114.8	L208 E211 A240	L208-G238 PolarHBondContact O-N 3.02Å; E211-G238 WeakPolarHBondContact OE1-CA 3.23Å; E211-G238 WeakPolarHBondContact OE2-CA 3.32Å; G238-A240 PolarHBondContact O-N 2.94Å
239	E	82.3	Confident	76.8	Confident	67 Å²	67	71.8 Å²	71.8	31%	0.313	37%	0.365	S	S	.	.			trans	-74.8	92.8	-178.6	-75.6	-176	-157.4	0	0	111.7	I241 L252 R429	E239-I241 HydrophobicContact CB-CG1 4.5Å; E239-I241 PolarHBondContact O-N 3.49Å; E239-I241 VanDerWaalsContact O-N 3.09Å; E239-L252 HydrophobicContact CB-CD1 3.82Å; E239-L252 HydrophobicContact CG-CD1 4Å; E239-L252 HydrophobicContact CG-CD2 4.44Å; E239-R429 IonicContact OE1-CZ 2.73Å; E239-R429 IonicContact OE1-NH1 2.66Å; E239-R429 PolarHBondContact OE1-NH1 2.97Å; E239-R429 IonicContact OE1-NH2 2.79Å; E239-R429 PolarHBondContact OE1-NH2 3.19Å; E239-R429 IonicContact OE2-CZ 2.63Å; E239-R429 IonicContact OE2-NH1 3.19Å; E239-R429 PolarHBondContact OE2-NH1 2.82Å; E239-R429 IonicContact OE2-NH2 2.76Å
240	A	87.7	Confident	76.1	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	36%	0.362	C	S	.	.			trans	-71.4	97	172.3	0	0	0	0	0	111.3	L210 W215 G238 L253	L210-A240 HydrophobicContact CB-CB 4.18Å; L210-A240 HydrophobicContact CD1-CB 4.23Å; W215-A240 HydrophobicContact CG-CB 4.49Å; G238-A240 PolarHBondContact O-N 2.94Å; A240-L253 HydrophobicContact CB-CB 4.24Å; A240-L253 HydrophobicContact CB-CD2 4.45Å; A240-L253 VanDerWaalsContact O-CB 3.31Å; A240-L253 WeakPolarHBondContact O-CB 3.24Å; A240-L253 PolarHBondContact O-N 2.71Å
241	I	85.4	Confident	75.5	Confident	78 Å²	78	65.3 Å²	65.3	40%	0.4	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-95.4	129.5	-177.6	-63.6	161.9	0	0	0	110.8	W215 E239 E243 R251	W215-I241 WeakPolarHBondContact CB-O 3.45Å; W215-I241 VanDerWaalsContact CD1-O 3.29Å; E239-I241 HydrophobicContact CB-CG1 4.5Å; E239-I241 PolarHBondContact O-N 3.49Å; E239-I241 VanDerWaalsContact O-N 3.09Å; I241-E243 PolarHBondContact O-N 2.92Å; I241-R251 WeakPolarHBondContact CA-O 3.42Å
242	C	86.1	Confident	75.7	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.007	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.8	176.7	-59.4	0	0	0	0	112.5	C217 L248 Y249 G250 R251	C217-C242 HydrophobicContact CB-CB 3.73Å; C217-C242 WeakPolarHBondContact CB-SG 3.21Å; C217-C242 VanDerWaalsContact SG-CA 3.5Å; C217-C242 WeakPolarHBondContact SG-CB 3.49Å; C217-C242 CovalentContact SG-SG 2.02Å; C217-C242 PolarHBondContact SG-SG 3.45Å; C242-L248 HydrophobicContact CB-CB 4.33Å; C242-L248 WeakPolarHBondContact CB-O 3.16Å; C242-Y249 CarbonylContact O-C 3.53Å; C242-Y249 WeakPolarHBondContact O-CA 3.47Å; C242-G250 PolarHBondContact O-N 3.31Å; C242-R251 PolarHBondContact N-O 3.35Å; C242-R251 PolarHBondContact SG-O 3.49Å
243	E	84.6	Confident	76.4	Confident	83 Å²	83	62.3 Å²	62.3	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-24.6	169.4	-164.7	179.6	126.1	0	0	111.9	P214 W215 I241 Y249	P214-E243 VanDerWaalsContact CA-OE2 3.3Å; P214-E243 WeakPolarHBondContact CA-OE2 3.47Å; P214-E243 HydrophobicContact CB-CB 4.24Å; P214-E243 HydrophobicContact CB-CG 4.46Å; P214-E243 VanDerWaalsContact CB-OE2 3.31Å; P214-E243 WeakPolarHBondContact CB-OE2 3.49Å; W215-E243 PolarHBondContact O-N 3.38Å; I241-E243 PolarHBondContact O-N 2.92Å; E243-Y249 HydrophobicContact CG-CD2 4.34Å; E243-Y249 HydrophobicContact CG-CE2 3.83Å; E243-Y249 WeakPolarHBondContact O-CD2 3.4Å
244	T	78.3	Confident	77.4	Confident	56 Å²	56	56 Å²	56	34%	0.344	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.5	171	49.5	0	0	0	0	110.8	W215 N216 C217	W215-T244 PolarHBondContact O-N 2.81Å; W215-T244 VanDerWaalsContact O-N 3.12Å; N216-T244 CarbonylContact C-O 3.43Å; N216-T244 VanDerWaalsContact CA-OG1 3.31Å; N216-T244 WeakPolarHBondContact CA-OG1 3.5Å; N216-T244 WeakPolarHBondContact CB-OG1 3.4Å; C217-T244 WeakPolarHBondContact CA-O 3.32Å; C217-T244 WeakPolarHBondContact CB-O 3.47Å; C217-T244 PolarHBondContact N-O 3.16Å
245	P	77.5	Confident	78	Confident	50 Å²	50	53.5 Å²	53.5	33%	0.325	28%	0.278	S	S	.	.	S	Bend	cis	-71	169.5	-14	34	-36.9	0	0	0	112.1	C217 D247 L248 Y249	C217-P245 VanDerWaalsContact O-CD 3.3Å; C217-P245 WeakPolarHBondContact O-CD 3.5Å; P245-D247 PolarHBondContact O-N 2.9Å; P245-D247 VanDerWaalsContact O-N 3.11Å; P245-L248 HydrophobicContact CG-CD1 4.43Å; P245-L248 PolarHBondContact O-N 3.43Å; P245-Y249 PolarHBondContact O-N 2.89Å
246	S	74.4	Confident	78.4	Confident	101 Å²	101	52.2 Å²	52.2	71%	0.706	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.8	-172.9	-44	0	0	0	0	114.7	L248 Y249	S246-L248 PolarHBondContact O-N 3.32Å; S246-Y249 PolarHBondContact O-N 2.93Å
247	D	74.2	Confident	78.8	Confident	132 Å²	132	51.5 Å²	51.5	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.3	179	-54.3	-59.9	0	0	0	113.7	P245 R251	P245-D247 PolarHBondContact O-N 2.9Å; P245-D247 VanDerWaalsContact O-N 3.11Å; D247-R251 PolarHBondContact O-NE 2.82Å; D247-R251 PolarHBondContact O-NH2 3.48Å
248	L	77.1	Confident	78.9	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-4.1	-178.5	-58.3	-179.2	0	0	0	113.1	C217 C242 P245 S246 G250 R251 E260 L261	C217-L248 HydrophobicContact CB-CB 4.3Å; C217-L248 HydrophobicContact CB-CD1 3.98Å; C217-L248 VanDerWaalsContact O-CD1 3.24Å; C217-L248 WeakPolarHBondContact O-CD1 3.46Å; C242-L248 HydrophobicContact CB-CB 4.33Å; C242-L248 WeakPolarHBondContact CB-O 3.16Å; P245-L248 HydrophobicContact CG-CD1 4.43Å; P245-L248 PolarHBondContact O-N 3.43Å; S246-L248 PolarHBondContact O-N 3.32Å; L248-G250 PolarHBondContact O-N 3.29Å; L248-R251 VanDerWaalsContact CD2-CZ 3.43Å; L248-R251 VanDerWaalsContact O-CB 3.29Å; L248-R251 WeakPolarHBondContact O-CB 3.34Å; L248-R251 VanDerWaalsContact O-CG 3.29Å; L248-R251 WeakPolarHBondContact O-CG 3.16Å; L248-R251 PolarHBondContact O-N 3.45Å; L248-R251 VanDerWaalsContact O-N 3.08Å; L248-E260 HydrophobicContact CD2-CB 4.22Å; L248-L261 HydrophobicContact CD1-CD2 4.1Å
249	Y	73.4	Confident	79.1	Confident	95 Å²	95	60.1 Å²	60.1	37%	0.373	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	131.3	177.2	-172.8	-71.6	0	0	0	111.7	C242 E243 P245 S246 R251	C242-Y249 CarbonylContact O-C 3.53Å; C242-Y249 WeakPolarHBondContact O-CA 3.47Å; E243-Y249 HydrophobicContact CG-CD2 4.34Å; E243-Y249 HydrophobicContact CG-CE2 3.83Å; E243-Y249 WeakPolarHBondContact O-CD2 3.4Å; P245-Y249 PolarHBondContact O-N 2.89Å; S246-Y249 PolarHBondContact O-N 2.93Å; Y249-R251 VanDerWaalsContact C-N 3.3Å; Y249-R251 PolarHBondContact O-N 2.9Å
250	G	69.6	Low	78.8	Confident	29 Å²	29	59.7 Å²	59.7	30%	0.299	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	0.8	178.2	0	0	0	0	0	115	C242 L248	C242-G250 PolarHBondContact O-N 3.31Å; L248-G250 PolarHBondContact O-N 3.29Å
251	R	70.9	Confident	78.5	Confident	46 Å²	46	59.8 Å²	59.8	17%	0.174	31%	0.308	C	S	.	.			trans	-85.7	140.3	175.8	-60.1	-176.1	-167.6	-163.7	8.8	111.5	I241 C242 D247 L248 Y249 L253 T256 E260	I241-R251 WeakPolarHBondContact CA-O 3.42Å; C242-R251 PolarHBondContact N-O 3.35Å; C242-R251 PolarHBondContact SG-O 3.49Å; D247-R251 PolarHBondContact O-NE 2.82Å; D247-R251 PolarHBondContact O-NH2 3.48Å; L248-R251 VanDerWaalsContact CD2-CZ 3.43Å; L248-R251 VanDerWaalsContact O-CB 3.29Å; L248-R251 WeakPolarHBondContact O-CB 3.34Å; L248-R251 VanDerWaalsContact O-CG 3.29Å; L248-R251 WeakPolarHBondContact O-CG 3.16Å; L248-R251 PolarHBondContact O-N 3.45Å; L248-R251 VanDerWaalsContact O-N 3.08Å; Y249-R251 VanDerWaalsContact C-N 3.3Å; Y249-R251 PolarHBondContact O-N 2.9Å; R251-L253 PolarHBondContact O-N 3.46Å; R251-T256 HydrophobicContact CB-CG2 4.23Å; R251-E260 IonicContact CZ-OE1 2.7Å; R251-E260 VanDerWaalsContact NH1-CD 3.32Å; R251-E260 IonicContact NH1-OE1 2.7Å; R251-E260 PolarHBondContact NH1-OE1 3.34Å; R251-E260 IonicContact NH1-OE2 2.73Å; R251-E260 PolarHBondContact NH1-OE2 2.7Å
252	L	80.1	Confident	78.4	Confident	35 Å²	35	57.3 Å²	57.3	18%	0.183	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-70.3	126.9	169.2	179.1	59.5	0	0	0	109.9	E239 K254 E255 T256	E239-L252 HydrophobicContact CB-CD1 3.82Å; E239-L252 HydrophobicContact CG-CD1 4Å; E239-L252 HydrophobicContact CG-CD2 4.44Å; L252-K254 HydrophobicContact CD2-CB 4.49Å; L252-K254 HydrophobicContact CG-CB 4.24Å; L252-K254 PolarHBondContact O-N 2.89Å; L252-K254 VanDerWaalsContact O-N 3.12Å; L252-E255 HydrophobicContact CB-CB 4.37Å; L252-E255 HydrophobicContact CB-CG 4.18Å; L252-E255 HydrophobicContact CD2-CG 4.2Å; L252-E255 HydrophobicContact CG-CG 4.46Å; L252-E255 WeakPolarHBondContact O-CA 3.29Å; L252-E255 WeakPolarHBondContact O-CB 3.31Å; L252-E255 PolarHBondContact O-N 3.17Å; L252-T256 PolarHBondContact O-N 3.37Å
253	L	85.2	Confident	77.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-53.6	-37.3	-177.5	179.2	59.2	0	0	0	112.8	L221 L224 K225 L228 A240 R251 E255 T256 L261	L221-L253 HydrophobicContact CD2-CD1 3.85Å; L221-L253 HydrophobicContact CD2-CD2 3.77Å; L221-L253 HydrophobicContact CD2-CG 4.41Å; L221-L253 HydrophobicContact CG-CD1 4.17Å; L221-L253 HydrophobicContact CG-CD2 3.83Å; L224-L253 HydrophobicContact CB-CD2 4.26Å; L224-L253 HydrophobicContact CD2-CD2 3.69Å; L224-L253 HydrophobicContact CG-CD2 3.8Å; K225-L253 HydrophobicContact CB-CD1 4.09Å; K225-L253 HydrophobicContact CB-CG 4.18Å; K225-L253 VanDerWaalsContact CE-O 3.3Å; K225-L253 WeakPolarHBondContact CE-O 3.49Å; L228-L253 HydrophobicContact CD1-CD2 3.8Å; L228-L253 HydrophobicContact CD1-CG 4.3Å; A240-L253 HydrophobicContact CB-CB 4.24Å; A240-L253 HydrophobicContact CB-CD2 4.45Å; A240-L253 VanDerWaalsContact O-CB 3.31Å; A240-L253 WeakPolarHBondContact O-CB 3.24Å; A240-L253 PolarHBondContact O-N 2.71Å; R251-L253 PolarHBondContact O-N 3.46Å; L253-E255 VanDerWaalsContact C-N 3.28Å; L253-E255 PolarHBondContact O-N 3.27Å; L253-T256 PolarHBondContact O-N 3.28Å; L253-T256 PolarHBondContact O-OG1 3.31Å; L253-L261 HydrophobicContact CD1-CD1 4.03Å; L253-L261 HydrophobicContact CD1-CD2 4.27Å
254	K	78.3	Confident	76.2	Confident	102 Å²	102	66.2 Å²	66.2	44%	0.443	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-66.8	-23.7	177.2	-166	161	-179.6	151.2	0	113.7	L228 L252	L228-K254 PolarHBondContact O-NZ 3.07Å; L252-K254 HydrophobicContact CD2-CB 4.49Å; L252-K254 HydrophobicContact CG-CB 4.24Å; L252-K254 PolarHBondContact O-N 2.89Å; L252-K254 VanDerWaalsContact O-N 3.12Å
255	E	75.9	Confident	74.5	Confident	75 Å²	75	66.8 Å²	66.8	35%	0.35	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-91.4	-10.8	175.1	-65.9	-178.2	179.2	0	0	113.6	L252 L253 K381	L252-E255 HydrophobicContact CB-CB 4.37Å; L252-E255 HydrophobicContact CB-CG 4.18Å; L252-E255 HydrophobicContact CD2-CG 4.2Å; L252-E255 HydrophobicContact CG-CG 4.46Å; L252-E255 WeakPolarHBondContact O-CA 3.29Å; L252-E255 WeakPolarHBondContact O-CB 3.31Å; L252-E255 PolarHBondContact O-N 3.17Å; L253-E255 VanDerWaalsContact C-N 3.28Å; L253-E255 PolarHBondContact O-N 3.27Å; E255-K381 IonicContact OE1-NZ 3.59Å; E255-K381 PolarHBondContact OE1-NZ 2.71Å; E255-K381 IonicContact OE2-NZ 2.78Å; E255-K381 PolarHBondContact OE2-NZ 3.24Å
256	T	79	Confident	72.7	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.037	40%	0.398	C	S	.	.	S	Bend	trans	-69.5	159.3	177	65.5	0	0	0	0	112	K225 R251 L252 L253	K225-T256 WeakPolarHBondContact CE-O 3.35Å; K225-T256 WeakPolarHBondContact CE-OG1 3.47Å; K225-T256 PolarHBondContact NZ-O 3.22Å; R251-T256 HydrophobicContact CB-CG2 4.23Å; L252-T256 PolarHBondContact O-N 3.37Å; L253-T256 PolarHBondContact O-N 3.28Å; L253-T256 PolarHBondContact O-OG1 3.31Å
257	N	81.1	Confident	70.8	Confident	69 Å²	69	70 Å²	70	37%	0.369	39%	0.393	S	S	.	.			trans	-94.3	147.1	167.7	-172.1	7	0	0	0	111.1	Q259 E260 L261	N257-Q259 PolarHBondContact ND2-OE1 3.05Å; N257-Q259 PolarHBondContact O-N 3.01Å; N257-E260 HydrophobicContact CB-CB 4.35Å; N257-E260 HydrophobicContact CB-CG 4Å; N257-E260 WeakPolarHBondContact CB-OE2 3.24Å; N257-E260 PolarHBondContact N-OE2 2.8Å; N257-E260 WeakPolarHBondContact O-CB 3.02Å; N257-E260 PolarHBondContact O-N 2.04Å; N257-L261 PolarHBondContact O-N 3.28Å
258	K	81.4	Confident	68.8	Low	87 Å²	87	68.7 Å²	68.7	38%	0.378	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-33.3	176.7	-62.7	-176.7	176.7	174.9	0	111.9	L222 K225 E229 E260 C262	L222-K258 HydrophobicContact CD1-CB 3.87Å; L222-K258 HydrophobicContact CD1-CD 4.05Å; L222-K258 HydrophobicContact CD1-CG 3.67Å; K225-K258 HydrophobicContact CD-CG 4.31Å; E229-K258 WeakPolarHBondContact OE1-CE 3.4Å; E229-K258 IonicContact OE1-NZ 3.31Å; E229-K258 WeakPolarHBondContact OE2-CE 3.3Å; E229-K258 IonicContact OE2-NZ 3.4Å; E229-K258 PolarHBondContact OE2-NZ 2.84Å; K258-E260 VanDerWaalsContact C-N 3.35Å; K258-C262 PolarHBondContact O-N 3.25Å
259	Q	77.6	Confident	67	Low	142 Å²	142	76.2 Å²	76.2	66%	0.664	44%	0.435	S	S	*	.	H	α-helix	trans	-77.1	-15.8	175.2	-65.4	142.6	-18.4	0	0	113.7	N257 C262	N257-Q259 PolarHBondContact ND2-OE1 3.05Å; N257-Q259 PolarHBondContact O-N 3.01Å; Q259-C262 CarbonylContact O-C 3.52Å
260	E	76.8	Confident	65.1	Low	58 Å²	58	80.4 Å²	80.4	27%	0.271	46%	0.456	S	S	.	.	H	α-helix	trans	-83.4	-35.9	171.1	-71.4	175.4	130.4	0	0	111.2	L248 R251 N257 K258 K349	L248-E260 HydrophobicContact CD2-CB 4.22Å; R251-E260 IonicContact CZ-OE1 2.7Å; R251-E260 VanDerWaalsContact NH1-CD 3.32Å; R251-E260 IonicContact NH1-OE1 2.7Å; R251-E260 PolarHBondContact NH1-OE1 3.34Å; R251-E260 IonicContact NH1-OE2 2.73Å; R251-E260 PolarHBondContact NH1-OE2 2.7Å; N257-E260 HydrophobicContact CB-CB 4.35Å; N257-E260 HydrophobicContact CB-CG 4Å; N257-E260 WeakPolarHBondContact CB-OE2 3.24Å; N257-E260 PolarHBondContact N-OE2 2.8Å; N257-E260 WeakPolarHBondContact O-CB 3.02Å; N257-E260 PolarHBondContact O-N 2.04Å; K258-E260 VanDerWaalsContact C-N 3.35Å; E260-K349 IonicContact OE1-NZ 3.83Å; E260-K349 PolarHBondContact OE1-NZ 3.35Å; E260-K349 IonicContact OE2-NZ 3.36Å; E260-K349 PolarHBondContact OE2-NZ 2.85Å
261	L	81.7	Confident	63.2	Low	4 Å²	4	85 Å²	85	2%	0.021	47%	0.473	C	S	.	.	H	α-helix	trans	-70.6	-39.9	171.9	-64.6	176.5	0	0	0	112.3	C217 S218 C219 L222 K225 L248 L253 N257	C217-L261 VanDerWaalsContact C-CD2 3.45Å; C217-L261 HydrophobicContact CB-CD2 3.54Å; C217-L261 VanDerWaalsContact O-CD2 3.26Å; C217-L261 WeakPolarHBondContact O-CD2 3.43Å; S218-L261 CarbonylContact C-O 3.51Å; C219-L261 PolarHBondContact N-O 3.35Å; L222-L261 HydrophobicContact CD1-CD1 4.42Å; K225-L261 HydrophobicContact CB-CD1 4.26Å; K225-L261 HydrophobicContact CD-CD1 3.59Å; L248-L261 HydrophobicContact CD1-CD2 4.1Å; L253-L261 HydrophobicContact CD1-CD1 4.03Å; L253-L261 HydrophobicContact CD1-CD2 4.27Å; N257-L261 PolarHBondContact O-N 3.28Å
262	C	83.3	Confident	61.4	Low	26 Å²	26	89.7 Å²	89.7	18%	0.176	51%	0.507	C	S	.	.			trans	-121	85.6	175.6	-75.8	0	0	0	0	111.3	C219 K258 Q259 M264	C219-C262 WeakPolarHBondContact CA-SG 2.82Å; C219-C262 HydrophobicContact CB-CB 4.48Å; C219-C262 WeakPolarHBondContact CB-SG 3.46Å; C219-C262 WeakPolarHBondContact SG-CA 3.11Å; C219-C262 WeakPolarHBondContact SG-CB 3.3Å; C219-C262 CovalentContact SG-SG 2.04Å; C219-C262 PolarHBondContact SG-SG 3.48Å; K258-C262 PolarHBondContact O-N 3.25Å; Q259-C262 CarbonylContact O-C 3.52Å; C262-M264 PolarHBondContact O-N 3.34Å
263	P	67.6	Low	59	Low	106 Å²	106	97.6 Å²	97.6	69%	0.688	53%	0.534	S	S	*	.			trans	-73.7	70.7	167.3	32.3	-35.2	0	0	0	110.3	G265	P263-G265 PolarHBondContact O-N 3.36Å
264	M	56.3	Low	56.4	Low	165 Å²	165	105.3 Å²	105.3	81%	0.813	57%	0.573	S	S	*	*			trans	-63.3	127.5	169.7	-73.4	-67.8	-76.7	0	0	109.3	C262	C262-M264 PolarHBondContact O-N 3.34Å
265	G	43.2	Very low	54	Low	67 Å²	67	107.6 Å²	107.6	69%	0.691	59%	0.59	S	S	*	*			trans	-61.3	158.8	179.9	0	0	0	0	0	112.9	P263 G267	P263-G265 PolarHBondContact O-N 3.36Å; G265-G267 PolarHBondContact O-N 3.18Å
266	T	38.8	Very low	51.8	Low	158 Å²	158	109.2 Å²	109.2	97%	0.969	61%	0.607	S	S	*	*	S	Bend	trans	-56.5	104.1	-178.2	50.3	0	0	0	0	112.3
267	G	34.6	Very low	49.6	Very low	60 Å²	60	115.5 Å²	115.5	62%	0.619	65%	0.648	S	S	*	*			trans	-173.6	75.5	-176	0	0	0	0	0	115	G265	G265-G267 PolarHBondContact O-N 3.18Å
268	S	33.2	Very low	47.1	Very low	105 Å²	105	117.3 Å²	117.3	73%	0.734	67%	0.666	S	S	*	*			trans	59.2	138.5	169.1	52.8	0	0	0	0	118.9	F270	S268-F270 PolarHBondContact O-N 3.32Å
269	D	40.2	Very low	44.6	Very low	166 Å²	166	121.4 Å²	121.4	89%	0.888	69%	0.687	S	S	*	*			trans	-60.1	128.2	162.6	-61.1	-71.2	0	0	0	110.4
270	F	33	Very low	42.3	Very low	183 Å²	183	121.6 Å²	121.6	80%	0.803	69%	0.691	S	S	*	*			trans	-129.1	97.3	159.1	-104.4	-84.9	0	0	0	109.5	S268 V272	S268-F270 PolarHBondContact O-N 3.32Å; F270-V272 PolarHBondContact O-N 2.97Å
271	D	29.9	Very low	39.9	Very low	125 Å²	125	128.1 Å²	128.1	67%	0.668	72%	0.722	S	S	*	*			trans	-47.8	125.5	155.3	-90.4	-23.4	0	0	0	108.6	R273	D271-R273 HydrophobicContact CB-CG 4.19Å; D271-R273 PolarHBondContact O-N 3.27Å; D271-R273 IonicContact OD2-NE 3.8Å
272	V	32	Very low	37.3	Very low	144 Å²	144	133.7 Å²	133.7	87%	0.873	75%	0.752	S	S	*	*			trans	-77	66.6	169.2	-173	0	0	0	0	109.1	F270 I274	F270-V272 PolarHBondContact O-N 2.97Å; V272-I274 PolarHBondContact O-N 3.13Å
273	R	29.4	Very low	34.5	Very low	202 Å²	202	135.6 Å²	135.6	76%	0.762	78%	0.776	S	S	*	*			trans	-73.8	111.2	164.3	-78.2	-177.1	-178.4	-145.7	-2.2	108.3	D271 L275	D271-R273 HydrophobicContact CB-CG 4.19Å; D271-R273 PolarHBondContact O-N 3.27Å; D271-R273 IonicContact OD2-NE 3.8Å; R273-L275 PolarHBondContact O-N 3.14Å
274	I	31.8	Very low	32.7	Very low	161 Å²	161	140.1 Å²	140.1	83%	0.826	78%	0.78	S	S	*	*			trans	-64.9	115.4	175.7	-58.7	170	0	0	0	109.1	V272	V272-I274 PolarHBondContact O-N 3.13Å
275	L	28.3	Very low	31.1	Very low	150 Å²	150	134.4 Å²	134.4	79%	0.785	76%	0.755	S	S	*	*			trans	-132.5	153.6	159.3	-101	101.2	0	0	0	110.2	R273	R273-L275 PolarHBondContact O-N 3.14Å
276	P	29.1	Very low	30.5	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	74%	0.743	S	S	*	*			trans	-89.3	158.5	-165.7	27.3	-18.8	0	0	0	113.6
277	P	33.5	Very low	30.3	Very low	137 Å²	137	130.8 Å²	130.8	89%	0.89	72%	0.721	S	S	*	*			trans	-76.5	134.7	-174.5	30.5	-35.3	0	0	0	113.1
278	S	28.3	Very low	30.1	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	73%	0.732	S	S	*	*			trans	-127.8	91.1	174.1	63.5	0	0	0	0	113.2
279	Q	29	Very low	29.7	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	73%	0.726	S	S	*	*			trans	71.3	142.5	148.6	-54	-172.6	6	0	0	120.2
280	L	28.4	Very low	29.2	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	73%	0.729	S	S	*	*			trans	-81.1	156.5	171.6	-83.7	61.1	0	0	0	111
281	E	26.9	Very low	28.9	Very low	195 Å²	195	132.6 Å²	132.6	91%	0.911	73%	0.729	S	S	*	*			trans	-127.8	168.1	137.4	-78	-157.5	128.7	0	0	110.6
282	N	26.4	Very low	28.7	Very low	122 Å²	122	133.4 Å²	133.4	65%	0.652	74%	0.738	S	S	*	*			trans	-119.7	160.2	-150.6	-58	-71.9	0	0	0	115.5
283	G	26	Very low	28.4	Very low	66 Å²	66	135.6 Å²	135.6	68%	0.68	74%	0.739	S	S	*	*			trans	84.7	157.2	147.3	0	0	0	0	0	116.4
284	Y	28.7	Very low	28.2	Very low	200 Å²	200	133 Å²	133	78%	0.784	75%	0.745	S	S	*	*			cis	-140	-173.9	8.4	-80.6	-92.4	0	0	0	111.3
285	T	23.7	Very low	27.9	Very low	46 Å²	46	129.9 Å²	129.9	28%	0.282	74%	0.738	S	S	.	*			trans	-146.8	165.3	-160.3	51.9	0	0	0	0	114.6	V757 I759	T285-V757 VanDerWaalsContact CB-CG1 3.45Å; T285-V757 HydrophobicContact CG2-CG1 3.35Å; T285-I759 HydrophobicContact CG2-CB 4.33Å; T285-I759 HydrophobicContact CG2-CD1 3.87Å; T285-I759 HydrophobicContact CG2-CG1 4.2Å
286	T	28.6	Very low	27.8	Very low	73 Å²	73	130 Å²	130	45%	0.448	74%	0.739	S	S	.	*			trans	82.2	162.2	161.7	77.9	0	0	0	0	117.9	F758	T286-F758 HydrophobicContact CG2-CB 4.42Å; T286-F758 HydrophobicContact CG2-CD1 3.64Å; T286-F758 HydrophobicContact CG2-CD2 3.65Å; T286-F758 HydrophobicContact CG2-CE1 3.68Å; T286-F758 HydrophobicContact CG2-CE2 3.7Å; T286-F758 HydrophobicContact CG2-CG 3.63Å; T286-F758 HydrophobicContact CG2-CZ 3.71Å
287	P	35.7	Very low	27.8	Very low	76 Å²	76	133.7 Å²	133.7	49%	0.494	75%	0.746	S	S	.	*			cis	-142.5	-177.5	-43.4	37.8	-20.7	0	0	0	115.3	F758	P287-F758 HydrophobicContact CB-CD2 4.24Å; P287-F758 HydrophobicContact CB-CE2 3.6Å; P287-F758 HydrophobicContact CB-CZ 4.45Å; P287-F758 HydrophobicContact CG-CE2 3.77Å; P287-F758 HydrophobicContact CG-CZ 4.18Å
288	N	29.8	Very low	27.6	Very low	159 Å²	159	137.6 Å²	137.6	85%	0.85	74%	0.743	S	S	*	*			trans	70.1	146	164.8	-56	-18.2	0	0	0	116.9
289	G	26.1	Very low	27.6	Very low	60 Å²	60	140.1 Å²	140.1	62%	0.619	75%	0.747	S	S	*	*			cis	172.4	166.5	-7	0	0	0	0	0	113.1
290	H	29.5	Very low	27.5	Very low	202 Å²	202	137.4 Å²	137.4	94%	0.935	74%	0.742	S	S	*	*			trans	80.3	140.4	175.4	-58.2	-73.3	0	0	0	119.7
291	T	25.7	Very low	27.5	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	74%	0.739	S	S	*	*			trans	-102.6	151.4	-177.6	38.7	0	0	0	0	111.7
292	T	26.5	Very low	27.6	Very low	142 Å²	142	135.5 Å²	135.5	87%	0.871	73%	0.734	S	S	*	*			trans	-134.4	141.3	148.9	43.5	0	0	0	0	109.4
293	Q	24.5	Very low	28.1	Very low	190 Å²	190	135 Å²	135	89%	0.888	74%	0.738	S	S	*	*			trans	-102	137	170.5	-67	175.8	-20.7	0	0	108.7
294	T	26	Very low	28.4	Very low	146 Å²	146	137.9 Å²	137.9	90%	0.896	75%	0.745	S	S	*	*			trans	-147	149.7	150.1	-1	0	0	0	0	111.6
295	S	24.8	Very low	28.4	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	75%	0.75	S	S	*	*			trans	-85.2	156.9	-163.4	47.6	0	0	0	0	114.5
296	L	27.6	Very low	28.7	Very low	154 Å²	154	142.5 Å²	142.5	81%	0.806	78%	0.776	S	S	*	*			trans	58.5	125.1	149.1	-66.4	161	0	0	0	118.9
297	H	28	Very low	28.7	Very low	187 Å²	187	146 Å²	146	87%	0.866	80%	0.798	S	S	*	*				-157.1	148.9	108.7	-110.9	-76.6	0	0	0	112.4
298	R	30.3	Very low	28.3	Very low	219 Å²	219	150.2 Å²	150.2	83%	0.826	82%	0.816	S	S	*	*			trans	-104.2	134.5	178.3	-177.3	-169.4	-165.9	-174.8	7.9	108.9
299	L	27.3	Very low	29.4	Very low	160 Å²	160	148 Å²	148	84%	0.838	81%	0.81	S	S	*	*			trans	-142.5	143	170.4	-113.8	127.2	0	0	0	112.3
300	V	27.6	Very low	29.5	Very low	117 Å²	117	150.1 Å²	150.1	71%	0.709	82%	0.816	S	S	*	*			trans	-141.1	126.6	-175.3	171.6	0	0	0	0	108.3
301	T	28.5	Very low	29.4	Very low	112 Å²	112	149.4 Å²	149.4	69%	0.687	81%	0.81	S	S	*	*			trans	172.5	155.8	161.3	37.1	0	0	0	0	108.4
302	K	29.1	Very low	29.5	Very low	187 Å²	187	149.9 Å²	149.9	81%	0.813	81%	0.806	S	S	*	*			cis	-159	164.8	-19.6	-110.9	174.3	-173.6	173.7	0	107.6
303	P	37.1	Very low	29.5	Very low	111 Å²	111	148.8 Å²	148.8	72%	0.721	81%	0.805	S	S	*	*			trans	-88.5	158.5	-173	35.4	-36.2	0	0	0	114.5
304	P	31.7	Very low	29.6	Very low	128 Å²	128	143.5 Å²	143.5	83%	0.831	80%	0.801	S	S	*	*			trans	-76.8	160.8	166.8	33.5	-34.4	0	0	0	112.3
305	K	27.8	Very low	29.9	Very low	205 Å²	205	144.7 Å²	144.7	89%	0.891	80%	0.8	S	S	*	*			trans	-113.1	162.1	-178.3	-75.4	-174.3	175.8	-177	0	113.1
306	T	30.6	Very low	30	Very low	137 Å²	137	146.8 Å²	146.8	84%	0.84	81%	0.808	S	S	*	*			trans	-81.4	151	171.9	48.5	0	0	0	0	113.3
307	T	28.8	Very low	30.1	Very low	146 Å²	146	144.2 Å²	144.2	90%	0.896	81%	0.81	S	S	*	*			trans	-152	155.1	154.2	22.4	0	0	0	0	109.6
308	N	27.7	Very low	30.1	Very low	165 Å²	165	138.8 Å²	138.8	88%	0.882	80%	0.804	S	S	*	*			trans	-113.8	-173.6	-162.5	-122.8	-1.1	0	0	0	112.8
309	P	51.7	Low	30	Very low	112 Å²	112	138.5 Å²	138.5	73%	0.727	81%	0.809	S	S	*	*			trans	-116.6	169.3	-145.6	43.9	-36.6	0	0	0	116.3
310	S	28.6	Very low	29.9	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	81%	0.806	S	S	*	*			trans	-162.7	129.2	154.8	64.2	0	0	0	0	116.9
311	K	28.2	Very low	30	Very low	188 Å²	188	138 Å²	138	82%	0.817	82%	0.815	S	S	*	*			trans	74.5	122.8	132.5	-78.6	-178.8	171.3	179.6	0	123.7
312	I	27.1	Very low	30	Very low	140 Å²	140	137 Å²	137	72%	0.718	81%	0.813	S	S	*	*			trans	92.2	104.1	130.5	-65.1	168.1	0	0	0	119.9
313	S	26.1	Very low	30	Very low	120 Å²	120	135 Å²	135	84%	0.839	81%	0.812	S	S	*	*				28.4	134.5	129.1	-42.3	0	0	0	0	122.6
314	G	26.6	Very low	29.8	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	82%	0.822	S	S	*	*			trans	-165.2	103.6	158.3	0	0	0	0	0	113.3
315	I	32.2	Very low	29.8	Very low	172 Å²	172	143.3 Å²	143.3	88%	0.882	82%	0.824	S	S	*	*			trans	-96.9	122.1	171.3	-61.2	171.9	0	0	0	108.8
316	V	27.6	Very low	30	Very low	139 Å²	139	141.4 Å²	141.4	84%	0.842	82%	0.823	S	S	*	*			trans	-143.1	130.8	162	-178.3	0	0	0	0	109.7
317	A	29.9	Very low	30	Very low	101 Å²	101	140 Å²	140	84%	0.835	82%	0.818	S	S	*	*			trans	-97.1	140.1	170.8	0	0	0	0	0	110.8
318	G	27.4	Very low	30.1	Very low	73 Å²	73	141.9 Å²	141.9	75%	0.753	82%	0.817	S	S	*	*			trans	-137	32.9	-155	0	0	0	0	0	119.3
319	K	28.1	Very low	30.3	Very low	212 Å²	212	141.1 Å²	141.1	92%	0.922	81%	0.811	S	S	*	*			trans	60.6	149	166.9	-68.4	179.5	176.1	176.4	0	118.7
320	A	25.1	Very low	29.2	Very low	95 Å²	95	140.7 Å²	140.7	79%	0.785	81%	0.806	S	S	*	*			trans	-92.4	159.1	-179.9	0	0	0	0	0	113.1
321	L	29.8	Very low	29.1	Very low	171 Å²	171	140.3 Å²	140.3	90%	0.895	80%	0.804	S	S	*	*			trans	-119.4	120.7	155.6	-95.4	91.2	0	0	0	111.4
322	S	29.2	Very low	29.2	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	80%	0.803	S	S	*	*			trans	27.4	110.9	141	-170.3	0	0	0	0	120.1
323	N	28.6	Very low	29.2	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	81%	0.808	S	S	*	*			trans	54.2	109.1	135.1	-59	-20.1	0	0	0	120.1
324	R	33.9	Very low	29.6	Very low	248 Å²	248	143.2 Å²	143.2	94%	0.936	81%	0.806	S	S	*	*				-151.1	141.4	104.3	-107.4	169.9	-171.8	-166.7	1.6	110.9	L326	R324-L326 PolarHBondContact O-N 3.11Å
325	N	29.9	Very low	29.9	Very low	164 Å²	164	150.3 Å²	150.3	88%	0.877	81%	0.808	S	S	*	*			trans	-72.1	124.7	178	-73.6	-19.2	0	0	0	110.5
326	L	32.6	Very low	30.1	Very low	166 Å²	166	147.9 Å²	147.9	87%	0.869	80%	0.801	S	S	*	*			trans	-133.9	139.9	149.2	-153.9	71.7	0	0	0	108	R324 Q328	R324-L326 PolarHBondContact O-N 3.11Å; L326-Q328 PolarHBondContact O-N 3.33Å
327	S	31.1	Very low	30.6	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	79%	0.787	S	S	*	*			trans	-60.3	124.1	-170.7	50.2	0	0	0	0	112.5	I329	S327-I329 PolarHBondContact O-N 2.98Å
328	Q	30.4	Very low	31.2	Very low	187 Å²	187	146.2 Å²	146.2	87%	0.874	78%	0.784	S	S	*	*			trans	-65.8	103.2	170.7	-71.5	178.5	-41.9	0	0	110.3	L326 V330	L326-Q328 PolarHBondContact O-N 3.33Å; Q328-V330 PolarHBondContact O-N 3.46Å
329	I	32.1	Very low	32.4	Very low	148 Å²	148	150.5 Å²	150.5	76%	0.759	79%	0.789	S	S	*	*			trans	-72	121.3	151.6	-64	177.6	0	0	0	105.8	S327 S331	S327-I329 PolarHBondContact O-N 2.98Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 3Å
330	V	29.5	Very low	33.8	Very low	103 Å²	103	142.7 Å²	142.7	62%	0.624	76%	0.76	S	S	*	*			trans	-72.4	89.6	173.5	179.5	0	0	0	0	107.8	Q328 Y332	Q328-V330 PolarHBondContact O-N 3.46Å; V330-Y332 HydrophobicContact CG1-CE2 4.38Å; V330-Y332 WeakPolarHBondContact O-CD2 2.9Å; V330-Y332 PolarHBondContact O-N 3.47Å
331	S	25.8	Very low	35.9	Very low	98 Å²	98	141.2 Å²	141.2	69%	0.685	74%	0.742	S	S	*	*			trans	-61.5	100.8	163.3	-64.3	0	0	0	0	107.9	I329 Q333	I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 3Å; S331-Q333 PolarHBondContact O-N 3.45Å
332	Y	30.1	Very low	38.2	Very low	204 Å²	204	135 Å²	135	80%	0.8	71%	0.713	S	S	*	*			trans	-61.4	92.7	162.8	-70.3	-88.8	0	0	0	107.4	V330 T334	V330-Y332 HydrophobicContact CG1-CE2 4.38Å; V330-Y332 WeakPolarHBondContact O-CD2 2.9Å; V330-Y332 PolarHBondContact O-N 3.47Å; Y332-T334 PolarHBondContact O-N 3.49Å
333	Q	28.1	Very low	40.7	Very low	176 Å²	176	130.7 Å²	130.7	82%	0.822	68%	0.682	S	S	*	*			trans	-60.8	97.7	158.9	-79.8	-173.1	-31.8	0	0	106.4	S331 R335	S331-Q333 PolarHBondContact O-N 3.45Å; Q333-R335 PolarHBondContact O-N 2.93Å
334	T	32.9	Very low	42.9	Very low	128 Å²	128	128.4 Å²	128.4	79%	0.785	68%	0.683	S	S	*	*			trans	-55.1	98.1	153.9	38	0	0	0	0	106	Y332 V336	Y332-T334 PolarHBondContact O-N 3.49Å; T334-V336 PolarHBondContact O-N 3.48Å
335	R	34.4	Very low	45	Very low	228 Å²	228	118.8 Å²	118.8	86%	0.86	65%	0.653	S	S	*	*			trans	-53	114.3	167.9	-80.5	-177.3	172.9	176.2	-2.5	105.7	Q333	Q333-R335 PolarHBondContact O-N 2.93Å
336	V	35.2	Very low	47.6	Very low	120 Å²	120	111.9 Å²	111.9	73%	0.727	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-49.4	126.4	165.6	-177.4	0	0	0	0	105.6	T334	T334-V336 PolarHBondContact O-N 3.48Å
337	P	38.6	Very low	50	Low	86 Å²	86	109.9 Å²	109.9	56%	0.558	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-49.2	138	176.7	-28.2	35.6	0	0	0	109.2	L339	P337-L339 PolarHBondContact O-N 3.03Å; P337-L339 VanDerWaalsContact O-N 3.16Å
338	P	42.1	Very low	52.5	Low	119 Å²	119	106.2 Å²	106.2	77%	0.773	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-53.4	128.3	-175.4	23.6	-33.8	0	0	0	108.7	T340	P338-T340 PolarHBondContact O-N 3.02Å
339	L	52.4	Low	54.4	Low	163 Å²	163	100.2 Å²	100.2	85%	0.853	55%	0.547	S	S	*	.			trans	-42.7	103.7	-172.2	-77.5	163.6	0	0	0	110.5	P337 P341	P337-L339 PolarHBondContact O-N 3.03Å; P337-L339 VanDerWaalsContact O-N 3.16Å; L339-P341 VanDerWaalsContact O-N 3.12Å
340	T	58.4	Low	56.1	Low	49 Å²	49	97.5 Å²	97.5	30%	0.301	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-59.1	120.5	-179.3	-48.3	0	0	0	0	107.3	P338 C342 L357 L377	P338-T340 PolarHBondContact O-N 3.02Å; T340-C342 PolarHBondContact O-N 3.37Å; T340-C342 VanDerWaalsContact O-N 3.1Å; T340-L357 HydrophobicContact CG2-CD2 3.63Å; T340-L377 HydrophobicContact CG2-CB 4.26Å; T340-L377 WeakPolarHBondContact CG2-O 3.49Å
341	P	69	Low	57.4	Low	63 Å²	63	94.9 Å²	94.9	41%	0.409	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-74	117	-164.9	32.3	-37.4	0	0	0	108.4	L339 P374	L339-P341 VanDerWaalsContact O-N 3.12Å; P341-P374 HydrophobicContact CB-CG 3.57Å; P341-P374 HydrophobicContact CG-CB 4.34Å; P341-P374 HydrophobicContact CG-CG 3.91Å
342	C	77.2	Confident	58.5	Low	42 Å²	42	95.7 Å²	95.7	28%	0.284	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-80.1	143.7	-179	-171.2	0	0	0	0	110	T340 A344 C346 C348	T340-C342 PolarHBondContact O-N 3.37Å; T340-C342 VanDerWaalsContact O-N 3.1Å; C342-A344 PolarHBondContact O-N 3.22Å; C342-C346 PolarHBondContact SG-O 3.48Å; C342-C348 VanDerWaalsContact CA-SG 3.59Å; C342-C348 HydrophobicContact CB-CB 3.72Å; C342-C348 WeakPolarHBondContact CB-SG 3.38Å; C342-C348 WeakPolarHBondContact SG-CB 3.39Å; C342-C348 PolarHBondContact SG-N 3.45Å; C342-C348 CovalentContact SG-SG 2.03Å; C342-C348 PolarHBondContact SG-SG 2.98Å
343	P	83	Confident	59.6	Low	1 Å²	1	90.6 Å²	90.6	1%	0.006	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-58.2	138.1	172.3	-20.7	29.1	0	0	0	111.9	P345 C346 L372 I373 P374 P376	P343-P345 VanDerWaalsContact C-CD 3.43Å; P343-C346 HydrophobicContact CB-CB 4.14Å; P343-C346 HydrophobicContact CG-CB 4.4Å; P343-C346 PolarHBondContact O-N 2.88Å; P343-L372 HydrophobicContact CB-CB 4.14Å; P343-L372 HydrophobicContact CB-CG 4.47Å; P343-L372 HydrophobicContact CG-CB 4.02Å; P343-L372 HydrophobicContact CG-CD2 4.41Å; P343-L372 HydrophobicContact CG-CG 4.44Å; P343-I373 WeakPolarHBondContact CA-O 3.49Å; P343-P374 WeakPolarHBondContact CG-O 3.39Å; P343-P376 HydrophobicContact CG-CG 4.33Å
344	A	73.9	Confident	60.9	Low	97 Å²	97	86.1 Å²	86.1	80%	0.802	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.2	-175.4	0	0	0	0	0	116.8	C342 C346 I373	C342-A344 PolarHBondContact O-N 3.22Å; A344-C346 VanDerWaalsContact C-N 3.32Å; A344-I373 PolarHBondContact N-O 3.5Å
345	P	78.9	Confident	62.2	Low	47 Å²	47	86.7 Å²	86.7	31%	0.305	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.7	175.8	30.9	-34.3	0	0	0	114.1	P343 K364 I366	P343-P345 VanDerWaalsContact C-CD 3.43Å; P345-K364 HydrophobicContact CB-CB 4.33Å; P345-K364 WeakPolarHBondContact O-CD 3.38Å; P345-K364 WeakPolarHBondContact O-CG 3.48Å; P345-I366 HydrophobicContact CG-CD1 4.24Å
346	C	84.7	Confident	63.8	Low	19 Å²	19	76 Å²	76	13%	0.128	46%	0.456	C	S	.	.	S	Bend	trans	-107.1	159.8	-168.3	-54.9	0	0	0	0	113.1	C342 P343 A344 V359 N360 C361	C342-C346 PolarHBondContact SG-O 3.48Å; P343-C346 HydrophobicContact CB-CB 4.14Å; P343-C346 HydrophobicContact CG-CB 4.4Å; P343-C346 PolarHBondContact O-N 2.88Å; A344-C346 VanDerWaalsContact C-N 3.32Å; C346-V359 HydrophobicContact CB-CG1 4.32Å; C346-N360 CarbonylContact C-O 3.05Å; C346-N360 WeakPolarHBondContact CA-O 3.3Å; C346-N360 WeakPolarHBondContact CB-O 3.26Å; C346-C361 HydrophobicContact CB-CB 4.08Å; C346-C361 WeakPolarHBondContact CB-SG 3.42Å; C346-C361 WeakPolarHBondContact SG-CB 3.45Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.11Å
347	F	82.9	Confident	65.8	Low	123 Å²	123	70.8 Å²	70.8	54%	0.539	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.7	168.3	179.5	-94.5	0	0	0	109.7	K349 N360	F347-K349 HydrophobicContact CE1-CB 4.04Å; F347-N360 PolarHBondContact N-O 3.3Å; F347-N360 PolarHBondContact O-N 2.94Å
348	C	82.1	Confident	68	Low	29 Å²	29	68.4 Å²	68.4	20%	0.196	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.4	179.4	-53.2	0	0	0	0	111.7	C342 L357 S358	C342-C348 VanDerWaalsContact CA-SG 3.59Å; C342-C348 HydrophobicContact CB-CB 3.72Å; C342-C348 WeakPolarHBondContact CB-SG 3.38Å; C342-C348 WeakPolarHBondContact SG-CB 3.39Å; C342-C348 PolarHBondContact SG-N 3.45Å; C342-C348 CovalentContact SG-SG 2.03Å; C342-C348 PolarHBondContact SG-SG 2.98Å; C348-L357 HydrophobicContact CB-CD1 3.79Å; C348-L357 HydrophobicContact CB-CD2 4.47Å; C348-L357 HydrophobicContact CB-CG 4.21Å; C348-S358 CarbonylContact C-O 3.13Å; C348-S358 VanDerWaalsContact CA-O 3.23Å; C348-S358 WeakPolarHBondContact CA-O 3.27Å
349	K	70.8	Confident	70.1	Confident	61 Å²	61	62.8 Å²	62.8	27%	0.265	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.1	177.4	-178	178.6	175.1	-175.2	0	110.9	E260 F347 S358	E260-K349 IonicContact OE1-NZ 3.83Å; E260-K349 PolarHBondContact OE1-NZ 3.35Å; E260-K349 IonicContact OE2-NZ 3.36Å; E260-K349 PolarHBondContact OE2-NZ 2.85Å; F347-K349 HydrophobicContact CE1-CB 4.04Å; K349-S358 PolarHBondContact N-O 2.97Å; K349-S358 PolarHBondContact O-N 3.32Å
350	T	68.6	Low	71.6	Confident	91 Å²	91	56.6 Å²	56.6	56%	0.558	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.5	172.6	44.8	0	0	0	0	111	L357	T350-L357 HydrophobicContact CG2-CD1 3.88Å
351	H	55.9	Low	72.9	Confident	48 Å²	48	54.2 Å²	54.2	22%	0.222	33%	0.326	C	S	.	.			trans	-91.4	120.5	179.2	-159.7	-104	0	0	0	111.3	S353 D354 L355 G356	H351-S353 VanDerWaalsContact C-N 3.3Å; H351-S353 PolarHBondContact O-N 3.13Å; H351-D354 HydrophobicContact CB-CB 4.36Å; H351-D354 PolarHBondContact O-N 3.27Å; H351-L355 PolarHBondContact O-N 2.77Å; H351-L355 VanDerWaalsContact O-N 3.17Å; H351-G356 PolarHBondContact N-O 3.23Å
352	P	49.7	Very low	73.5	Confident	116 Å²	116	52.2 Å²	52.2	75%	0.753	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.5	-172.2	-26.8	35.2	0	0	0	115	D354	P352-D354 VanDerWaalsContact C-N 3.33Å; P352-D354 PolarHBondContact O-N 3.13Å
353	S	52.2	Low	73.8	Confident	97 Å²	97	56.8 Å²	56.8	68%	0.678	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-23.5	-176.7	-43.1	0	0	0	0	114.1	H351	H351-S353 VanDerWaalsContact C-N 3.3Å; H351-S353 PolarHBondContact O-N 3.13Å
354	D	55.4	Low	73.8	Confident	81 Å²	81	61.8 Å²	61.8	43%	0.433	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-10.8	-151.8	-97.1	72	0	0	0	114.5	H351 P352 G356 K380	H351-D354 HydrophobicContact CB-CB 4.36Å; H351-D354 PolarHBondContact O-N 3.27Å; P352-D354 VanDerWaalsContact C-N 3.33Å; P352-D354 PolarHBondContact O-N 3.13Å; D354-G356 PolarHBondContact O-N 3.29Å; D354-K380 IonicContact OD2-NZ 3.5Å; D354-K380 PolarHBondContact OD2-NZ 2.9Å
355	L	60.3	Low	74.4	Confident	140 Å²	140	63 Å²	63	73%	0.733	34%	0.343	S	S	*	.			trans	55.1	-6.3	-166.4	-84	71.6	0	0	0	115.8	H351	H351-L355 PolarHBondContact O-N 2.77Å; H351-L355 VanDerWaalsContact O-N 3.17Å
356	G	67.6	Low	74.8	Confident	5 Å²	5	60.9 Å²	60.9	5%	0.052	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-65.7	145.1	178.8	0	0	0	0	0	113.2	H351 D354	H351-G356 PolarHBondContact N-O 3.23Å; D354-G356 PolarHBondContact O-N 3.29Å
357	L	79.1	Confident	75	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.047	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	177.8	-170.8	56.5	0	0	0	109.9	T340 C348 T350 V359 P376 N378 A379 K380	T340-L357 HydrophobicContact CG2-CD2 3.63Å; C348-L357 HydrophobicContact CB-CD1 3.79Å; C348-L357 HydrophobicContact CB-CD2 4.47Å; C348-L357 HydrophobicContact CB-CG 4.21Å; T350-L357 HydrophobicContact CG2-CD1 3.88Å; L357-V359 HydrophobicContact CG-CG2 4.13Å; L357-P376 HydrophobicContact CD2-CB 3.78Å; L357-N378 PolarHBondContact N-O 3.32Å; L357-A379 CarbonylContact O-C 3.54Å; L357-A379 WeakPolarHBondContact O-CA 3.35Å; L357-K380 PolarHBondContact O-N 3.49Å
358	S	83.3	Confident	75.3	Confident	37 Å²	37	63 Å²	63	26%	0.259	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.4	167.3	-176.1	0	0	0	0	109	C348 K349	C348-S358 CarbonylContact C-O 3.13Å; C348-S358 VanDerWaalsContact CA-O 3.23Å; C348-S358 WeakPolarHBondContact CA-O 3.27Å; K349-S358 PolarHBondContact N-O 2.97Å; K349-S358 PolarHBondContact O-N 3.32Å
359	V	86.1	Confident	75.5	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.2	-172	-177.1	0	0	0	0	108.2	C346 L357 P376 A379 K381 L382 H383	C346-V359 HydrophobicContact CB-CG1 4.32Å; L357-V359 HydrophobicContact CG-CG2 4.13Å; V359-P376 HydrophobicContact CG1-CG 4.26Å; V359-P376 HydrophobicContact CG2-CB 4.08Å; V359-P376 HydrophobicContact CG2-CG 3.69Å; V359-A379 HydrophobicContact CG2-CB 4.08Å; V359-K381 PolarHBondContact N-O 3.5Å; V359-L382 HydrophobicContact CB-CD1 3.79Å; V359-L382 HydrophobicContact CG1-CD1 3.63Å; V359-L382 WeakPolarHBondContact O-CA 3.3Å; V359-H383 PolarHBondContact O-N 3.17Å
360	N	84.3	Confident	76.1	Confident	33 Å²	33	62.3 Å²	62.3	18%	0.176	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.5	180	-173	-18.8	0	0	0	110.7	C346 F347 Q362 H383	C346-N360 CarbonylContact C-O 3.05Å; C346-N360 WeakPolarHBondContact CA-O 3.3Å; C346-N360 WeakPolarHBondContact CB-O 3.26Å; F347-N360 PolarHBondContact N-O 3.3Å; F347-N360 PolarHBondContact O-N 2.94Å; N360-Q362 PolarHBondContact ND2-NE2 3.38Å; N360-Q362 VanDerWaalsContact ND2-NE2 3.15Å; N360-Q362 WeakPolarHBondContact OD1-CB 3.27Å; N360-Q362 WeakPolarHBondContact OD1-CG 3.36Å; N360-Q362 PolarHBondContact OD1-N 3.11Å; N360-H383 HydrophobicContact CB-CB 4.48Å
361	C	86.2	Confident	76.8	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.			trans	-126.3	24.5	-177.2	-50.2	0	0	0	0	111	C346 K364 I366 H383 V384 N387	C346-C361 HydrophobicContact CB-CB 4.08Å; C346-C361 WeakPolarHBondContact CB-SG 3.42Å; C346-C361 WeakPolarHBondContact SG-CB 3.45Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.11Å; C361-K364 VanDerWaalsContact O-CG 3.31Å; C361-K364 WeakPolarHBondContact O-CG 3.03Å; C361-I366 HydrophobicContact CB-CD1 3.85Å; C361-H383 WeakPolarHBondContact CA-O 3.42Å; C361-H383 WeakPolarHBondContact CB-O 3.36Å; C361-H383 PolarHBondContact N-O 2.96Å; C361-V384 HydrophobicContact CB-CG1 3.83Å; C361-N387 PolarHBondContact O-ND2 2.66Å
362	Q	82.2	Confident	78	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.093	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	142.1	-175.4	74.5	-161.3	-10	0	0	112.8	N360 K364 N385	N360-Q362 PolarHBondContact ND2-NE2 3.38Å; N360-Q362 VanDerWaalsContact ND2-NE2 3.15Å; N360-Q362 WeakPolarHBondContact OD1-CB 3.27Å; N360-Q362 WeakPolarHBondContact OD1-CG 3.36Å; N360-Q362 PolarHBondContact OD1-N 3.11Å; Q362-K364 VanDerWaalsContact C-N 3.31Å; Q362-K364 VanDerWaalsContact O-CE 3.29Å; Q362-K364 WeakPolarHBondContact O-CE 3.49Å; Q362-K364 WeakPolarHBondContact O-CG 3.5Å; Q362-K364 PolarHBondContact O-N 3.39Å; Q362-K364 PolarHBondContact O-NZ 3.27Å; Q362-N385 VanDerWaalsContact CA-O 3.25Å; Q362-N385 WeakPolarHBondContact CA-O 3.3Å; Q362-N385 WeakPolarHBondContact CB-ND2 3.44Å; Q362-N385 PolarHBondContact OE1-ND2 2.91Å
363	E	83.6	Confident	79.4	Confident	139 Å²	139	60.1 Å²	60.1	65%	0.65	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	42.5	176.3	-57.6	-178.3	175.7	0	0	113.5	N385 G386	E363-N385 PolarHBondContact N-O 3.26Å; E363-N385 VanDerWaalsContact N-O 3.13Å; E363-G386 WeakPolarHBondContact CA-O 3.26Å
364	K	82.6	Confident	80.6	Confident	105 Å²	105	58.2 Å²	58.2	46%	0.457	31%	0.308	S	S	.	.	S	Bend	trans	-103.5	3.6	-179.6	-57.5	-54.7	174.4	-140.8	0	114.2	P345 C361 Q362 I366 N387	P345-K364 HydrophobicContact CB-CB 4.33Å; P345-K364 WeakPolarHBondContact O-CD 3.38Å; P345-K364 WeakPolarHBondContact O-CG 3.48Å; C361-K364 VanDerWaalsContact O-CG 3.31Å; C361-K364 WeakPolarHBondContact O-CG 3.03Å; Q362-K364 VanDerWaalsContact C-N 3.31Å; Q362-K364 VanDerWaalsContact O-CE 3.29Å; Q362-K364 WeakPolarHBondContact O-CE 3.49Å; Q362-K364 WeakPolarHBondContact O-CG 3.5Å; Q362-K364 PolarHBondContact O-N 3.39Å; Q362-K364 PolarHBondContact O-NZ 3.27Å; K364-I366 HydrophobicContact CB-CD1 3.97Å; K364-I366 HydrophobicContact CB-CG1 3.97Å; K364-I366 PolarHBondContact O-N 3.36Å; K364-N387 WeakPolarHBondContact CA-OD1 3.48Å; K364-N387 PolarHBondContact N-OD1 2.87Å
365	N	86.1	Confident	81.6	Confident	123 Å²	123	57.2 Å²	57.2	66%	0.658	30%	0.3	S	S	*	.			trans	58.4	27.7	-175.2	-58.6	-70.1	0	0	0	114	N387	N365-N387 PolarHBondContact N-OD1 3.37Å
366	I	87.8	Confident	82.2	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.265	C	S	.	.			trans	-61.9	134.7	175	-65.8	164.7	0	0	0	108.9	P345 C361 K364 S368 E371 L372 N387 S388 I389	P345-I366 HydrophobicContact CG-CD1 4.24Å; C361-I366 HydrophobicContact CB-CD1 3.85Å; K364-I366 HydrophobicContact CB-CD1 3.97Å; K364-I366 HydrophobicContact CB-CG1 3.97Å; K364-I366 PolarHBondContact O-N 3.36Å; I366-S368 WeakPolarHBondContact CG2-O 3.24Å; I366-E371 HydrophobicContact CG2-CB 4.28Å; I366-L372 HydrophobicContact CD1-CD1 4.35Å; I366-L372 HydrophobicContact CG2-CD1 4.33Å; I366-N387 HydrophobicContact CB-CB 4.21Å; I366-N387 PolarHBondContact N-OD1 3.44Å; I366-S388 CarbonylContact O-C 3.56Å; I366-S388 WeakPolarHBondContact O-CA 2.99Å; I366-S388 PolarHBondContact O-N 3.47Å; I366-I389 HydrophobicContact CG2-CD1 4.37Å; I366-I389 HydrophobicContact CG2-CG1 4.2Å; I366-I389 PolarHBondContact O-N 3.35Å
367	Q	88.2	Confident	82.4	Confident	142 Å²	142	55.5 Å²	55.5	66%	0.664	29%	0.29	S	S	*	.			trans	-106.9	-24.1	-178.2	-54.2	-177.8	24.3	0	0	112.1	E371 I389	Q367-E371 WeakPolarHBondContact CA-OE1 2.83Å; Q367-E371 WeakPolarHBondContact CB-OE1 3.41Å; Q367-E371 PolarHBondContact N-OE1 2.86Å; Q367-I389 WeakPolarHBondContact O-CA 3.26Å
368	S	88.7	Confident	82.2	Confident	45 Å²	45	61.1 Å²	61.1	32%	0.315	32%	0.32	S	S	.	.			trans	-141.6	143.1	174.1	179.2	0	0	0	0	111.7	I366 S370 E371	I366-S368 WeakPolarHBondContact CG2-O 3.24Å; S368-S370 PolarHBondContact O-N 2.96Å; S368-S370 VanDerWaalsContact O-N 3.15Å; S368-S370 PolarHBondContact OG-N 3.37Å; S368-E371 PolarHBondContact N-OE1 3.44Å; S368-E371 WeakPolarHBondContact O-CB 3.06Å; S368-E371 WeakPolarHBondContact O-CG 2.97Å; S368-E371 PolarHBondContact O-N 3.08Å
369	M	87	Confident	82.1	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.034	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-57.7	-24.3	171.1	-73.5	-65.3	-60.6	0	0	113.2	E371 L372 L382 V384 I389 D396 F397 L408	M369-E371 PolarHBondContact O-N 2.82Å; M369-L372 HydrophobicContact CE-CD1 4.37Å; M369-L372 VanDerWaalsContact O-CD1 3.25Å; M369-L372 WeakPolarHBondContact O-CD1 3.28Å; M369-L372 PolarHBondContact O-N 3.18Å; M369-L372 VanDerWaalsContact O-N 3.17Å; M369-L372 HydrophobicContact SD-CD1 4.19Å; M369-L382 HydrophobicContact CE-CD2 4.12Å; M369-V384 HydrophobicContact SD-CB 4.37Å; M369-V384 HydrophobicContact SD-CG1 4.18Å; M369-V384 HydrophobicContact SD-CG2 4.14Å; M369-I389 HydrophobicContact CG-CD1 4.18Å; M369-I389 HydrophobicContact CG-CG2 4.44Å; M369-I389 HydrophobicContact SD-CD1 3.77Å; M369-D396 HydrophobicContact CB-CB 3.71Å; M369-D396 WeakPolarHBondContact CB-OD1 3.38Å; M369-D396 HydrophobicContact CG-CB 4.37Å; M369-F397 HydrophobicContact CE-CD1 4.5Å; M369-F397 HydrophobicContact CE-CE1 3.6Å; M369-F397 HydrophobicContact CE-CZ 3.93Å; M369-L408 HydrophobicContact SD-CD2 4.15Å
370	S	83.9	Confident	82	Confident	69 Å²	69	62.9 Å²	62.9	48%	0.483	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-67.7	-8.6	173.8	-70.8	0	0	0	0	114.2	S368 L372 I373 D396	S368-S370 PolarHBondContact O-N 2.96Å; S368-S370 VanDerWaalsContact O-N 3.15Å; S368-S370 PolarHBondContact OG-N 3.37Å; S370-L372 VanDerWaalsContact C-N 3.31Å; S370-I373 WeakPolarHBondContact O-CG1 3.19Å; S370-D396 PolarHBondContact OG-OD1 3.38Å
371	E	82.5	Confident	82	Confident	84 Å²	84	63.6 Å²	63.6	39%	0.393	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-77.2	-12.6	170.9	-66.2	171.6	-121.3	0	0	113.5	I366 Q367 S368 M369 I373	I366-E371 HydrophobicContact CG2-CB 4.28Å; Q367-E371 WeakPolarHBondContact CA-OE1 2.83Å; Q367-E371 WeakPolarHBondContact CB-OE1 3.41Å; Q367-E371 PolarHBondContact N-OE1 2.86Å; S368-E371 PolarHBondContact N-OE1 3.44Å; S368-E371 WeakPolarHBondContact O-CB 3.06Å; S368-E371 WeakPolarHBondContact O-CG 2.97Å; S368-E371 PolarHBondContact O-N 3.08Å; M369-E371 PolarHBondContact O-N 2.82Å; E371-I373 PolarHBondContact O-N 3.09Å
372	L	81.4	Confident	82.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	33%	0.325	C	S	.	.			trans	-76.4	63.4	179	-74.4	86.2	0	0	0	111.7	P343 I366 M369 S370 P374 K375 L382 V384	P343-L372 HydrophobicContact CB-CB 4.14Å; P343-L372 HydrophobicContact CB-CG 4.47Å; P343-L372 HydrophobicContact CG-CB 4.02Å; P343-L372 HydrophobicContact CG-CD2 4.41Å; P343-L372 HydrophobicContact CG-CG 4.44Å; I366-L372 HydrophobicContact CD1-CD1 4.35Å; I366-L372 HydrophobicContact CG2-CD1 4.33Å; M369-L372 HydrophobicContact CE-CD1 4.37Å; M369-L372 VanDerWaalsContact O-CD1 3.25Å; M369-L372 WeakPolarHBondContact O-CD1 3.28Å; M369-L372 PolarHBondContact O-N 3.18Å; M369-L372 VanDerWaalsContact O-N 3.17Å; M369-L372 HydrophobicContact SD-CD1 4.19Å; S370-L372 VanDerWaalsContact C-N 3.31Å; L372-P374 CarbonylContact O-C 3.55Å; L372-K375 PolarHBondContact O-N 3.3Å; L372-L382 HydrophobicContact CD2-CD1 4.14Å; L372-V384 HydrophobicContact CD2-CG1 4.08Å
373	I	78.8	Confident	82.3	Confident	121 Å²	121	64 Å²	64	62%	0.621	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-102.6	131.7	179.4	-55.3	179.3	0	0	0	110	P343 A344 S370 E371	P343-I373 WeakPolarHBondContact CA-O 3.49Å; A344-I373 PolarHBondContact N-O 3.5Å; S370-I373 WeakPolarHBondContact O-CG1 3.19Å; E371-I373 PolarHBondContact O-N 3.09Å
374	P	76.7	Confident	82.6	Confident	58 Å²	58	57.3 Å²	57.3	38%	0.377	30%	0.295	S	S	.	.	S	Bend	cis	-77.3	151.4	-10.9	31.2	-32.1	0	0	0	112	P341 P343 L372	P341-P374 HydrophobicContact CB-CG 3.57Å; P341-P374 HydrophobicContact CG-CB 4.34Å; P341-P374 HydrophobicContact CG-CG 3.91Å; P343-P374 WeakPolarHBondContact CG-O 3.39Å; L372-P374 CarbonylContact O-C 3.55Å
375	K	76.9	Confident	82.8	Confident	59 Å²	59	53 Å²	53	26%	0.257	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-65.7	131.1	177.4	-69.1	-171.9	-177.8	-170	0	111.1	L372 L377 S395 D396 T398 D399 F400	L372-K375 PolarHBondContact O-N 3.3Å; K375-L377 PolarHBondContact O-N 3.12Å; K375-S395 PolarHBondContact NZ-O 3.28Å; K375-D396 WeakPolarHBondContact CE-O 3.47Å; K375-D396 PolarHBondContact NZ-O 2.87Å; K375-T398 PolarHBondContact NZ-OG1 2.89Å; K375-T398 VanDerWaalsContact NZ-OG1 3.14Å; K375-D399 HydrophobicContact CD-CB 3.93Å; K375-D399 WeakPolarHBondContact CD-OD2 3.18Å; K375-D399 WeakPolarHBondContact CE-OD2 3.24Å; K375-D399 IonicContact NZ-OD2 3.9Å; K375-D399 PolarHBondContact NZ-OD2 3.15Å; K375-F400 HydrophobicContact CD-CE2 4.06Å; K375-F400 HydrophobicContact CG-CE2 4.3Å
376	P	72.6	Confident	82.7	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.26	C	S	.	.			trans	-81.9	110.9	-175.5	29.2	-31.6	0	0	0	112.3	P343 L357 V359 A379 F400	P343-P376 HydrophobicContact CG-CG 4.33Å; L357-P376 HydrophobicContact CD2-CB 3.78Å; V359-P376 HydrophobicContact CG1-CG 4.26Å; V359-P376 HydrophobicContact CG2-CB 4.08Å; V359-P376 HydrophobicContact CG2-CG 3.69Å; P376-A379 HydrophobicContact CG-CB 4.34Å; P376-F400 HydrophobicContact CG-CE1 4.01Å; P376-F400 HydrophobicContact CG-CZ 4.21Å
377	L	71.9	Confident	82.8	Confident	109 Å²	109	48.8 Å²	48.8	57%	0.571	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	144.6	174.4	-64.1	95.1	0	0	0	111.5	T340 K375 A379	T340-L377 HydrophobicContact CG2-CB 4.26Å; T340-L377 WeakPolarHBondContact CG2-O 3.49Å; K375-L377 PolarHBondContact O-N 3.12Å; L377-A379 VanDerWaalsContact C-N 3.27Å; L377-A379 PolarHBondContact O-N 3.46Å
378	N	75.2	Confident	83	Confident	127 Å²	127	43.7 Å²	43.7	68%	0.679	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	31.2	-179.9	-53.7	-24.5	0	0	0	114.7	L357 K380	L357-N378 PolarHBondContact N-O 3.32Å; N378-K380 PolarHBondContact O-N 2.02Å
379	A	80.9	Confident	83.2	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	129.9	166.9	0	0	0	0	0	111.1	L357 V359 P376 L377 F400 G402 L403	L357-A379 CarbonylContact O-C 3.54Å; L357-A379 WeakPolarHBondContact O-CA 3.35Å; V359-A379 HydrophobicContact CG2-CB 4.08Å; P376-A379 HydrophobicContact CG-CB 4.34Å; L377-A379 VanDerWaalsContact C-N 3.27Å; L377-A379 PolarHBondContact O-N 3.46Å; A379-F400 HydrophobicContact CB-CD1 3.85Å; A379-F400 HydrophobicContact CB-CE1 3.92Å; A379-G402 CarbonylContact O-C 3.4Å; A379-L403 HydrophobicContact CB-CD2 4.04Å; A379-L403 PolarHBondContact O-N 3.21Å
380	K	83.9	Confident	83.4	Confident	72 Å²	72	46.3 Å²	46.3	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-34.5	173.6	-78	-158.6	-177.3	-162.2	0	113.6	D354 L357 N378 D404 L405	D354-K380 IonicContact OD2-NZ 3.5Å; D354-K380 PolarHBondContact OD2-NZ 2.9Å; L357-K380 PolarHBondContact O-N 3.49Å; N378-K380 PolarHBondContact O-N 2.02Å; K380-D404 PolarHBondContact O-N 2.9Å; K380-L405 PolarHBondContact O-N 3.42Å
381	K	85	Confident	83.7	Confident	48 Å²	48	47.6 Å²	47.6	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.5	177.8	-56.7	-173.8	-175.8	-176.4	0	108.1	E255 V359 L405	E255-K381 IonicContact OE1-NZ 3.59Å; E255-K381 PolarHBondContact OE1-NZ 2.71Å; E255-K381 IonicContact OE2-NZ 2.78Å; E255-K381 PolarHBondContact OE2-NZ 3.24Å; V359-K381 PolarHBondContact N-O 3.5Å; K381-L405 HydrophobicContact CB-CB 4.45Å; K381-L405 HydrophobicContact CG-CB 4.28Å
382	L	88.6	Confident	84.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.5	178.4	179	60.4	0	0	0	110.8	V359 M369 L372 V384 F397 F400 L403 L405 L406 H407	V359-L382 HydrophobicContact CB-CD1 3.79Å; V359-L382 HydrophobicContact CG1-CD1 3.63Å; V359-L382 WeakPolarHBondContact O-CA 3.3Å; M369-L382 HydrophobicContact CE-CD2 4.12Å; L372-L382 HydrophobicContact CD2-CD1 4.14Å; L382-V384 HydrophobicContact CD1-CG1 4Å; L382-V384 HydrophobicContact CG-CG1 4.23Å; L382-F397 HydrophobicContact CD2-CE1 4.38Å; L382-F400 HydrophobicContact CD2-CD1 4.13Å; L382-F400 HydrophobicContact CD2-CE1 3.72Å; L382-F400 HydrophobicContact CD2-CZ 4.06Å; L382-L403 HydrophobicContact CB-CD1 4.19Å; L382-L403 HydrophobicContact CB-CD2 3.76Å; L382-L403 HydrophobicContact CD2-CD1 4.32Å; L382-L405 PolarHBondContact N-O 2.85Å; L382-L406 HydrophobicContact CB-CD1 4.15Å; L382-L406 HydrophobicContact CD2-CD1 3.89Å; L382-L406 HydrophobicContact CG-CD1 4.09Å; L382-H407 PolarHBondContact O-N 3.05Å
383	H	85.6	Confident	84.5	Confident	27 Å²	27	46.2 Å²	46.2	13%	0.125	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.5	179.8	-56.1	-100.9	0	0	0	109.7	V359 N360 C361	V359-H383 PolarHBondContact O-N 3.17Å; N360-H383 HydrophobicContact CB-CB 4.48Å; C361-H383 WeakPolarHBondContact CA-O 3.42Å; C361-H383 WeakPolarHBondContact CB-O 3.36Å; C361-H383 PolarHBondContact N-O 2.96Å
384	V	89.3	Confident	84.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.			trans	-130.8	22.6	-175.8	-79.1	0	0	0	0	111.5	C361 M369 L372 L382 N387 I389 L406 H407 L408 N411	C361-V384 HydrophobicContact CB-CG1 3.83Å; M369-V384 HydrophobicContact SD-CB 4.37Å; M369-V384 HydrophobicContact SD-CG1 4.18Å; M369-V384 HydrophobicContact SD-CG2 4.14Å; L372-V384 HydrophobicContact CD2-CG1 4.08Å; L382-V384 HydrophobicContact CD1-CG1 4Å; L382-V384 HydrophobicContact CG-CG1 4.23Å; V384-N387 PolarHBondContact O-ND2 2.63Å; V384-I389 HydrophobicContact CB-CD1 4.4Å; V384-L406 HydrophobicContact CG2-CD1 4.5Å; V384-H407 CarbonylContact C-O 3.19Å; V384-H407 WeakPolarHBondContact CG2-O 3.38Å; V384-H407 PolarHBondContact N-O 2.64Å; V384-L408 HydrophobicContact CG2-CD2 3.5Å; V384-L408 HydrophobicContact CG2-CG 3.94Å; V384-N411 PolarHBondContact O-ND2 2.88Å
385	N	88.6	Confident	85.4	Confident	14 Å²	14	42.7 Å²	42.7	8%	0.075	23%	0.229	C	C	.	.			trans	-71	157.9	179.3	52.5	-74.5	0	0	0	114.7	Q362 E363 N387 H407 G409	Q362-N385 VanDerWaalsContact CA-O 3.25Å; Q362-N385 WeakPolarHBondContact CA-O 3.3Å; Q362-N385 WeakPolarHBondContact CB-ND2 3.44Å; Q362-N385 PolarHBondContact OE1-ND2 2.91Å; E363-N385 PolarHBondContact N-O 3.26Å; E363-N385 VanDerWaalsContact N-O 3.13Å; N385-N387 VanDerWaalsContact C-N 3.29Å; N385-N387 PolarHBondContact O-N 3.33Å; N385-N387 PolarHBondContact O-ND2 2.96Å; N385-H407 VanDerWaalsContact CB-CE1 3.46Å; N385-H407 WeakPolarHBondContact CB-CE1 3.31Å; N385-H407 VanDerWaalsContact CB-ND1 3.34Å; N385-H407 WeakPolarHBondContact CB-ND1 3.41Å; N385-H407 PolarHBondContact N-O 3.07Å; N385-H407 PolarHBondContact OD1-CE1 3.22Å; N385-H407 PolarHBondContact OD1-ND1 2.94Å; N385-G409 WeakPolarHBondContact CA-O 3.3Å; N385-G409 WeakPolarHBondContact CB-O 3.28Å
386	G	82.3	Confident	85.8	Confident	29 Å²	29	40.1 Å²	40.1	30%	0.299	22%	0.218	S	C	.	.	S	Bend	trans	68.2	29.3	177.8	0	0	0	0	0	113	E363 G409 S410	E363-G386 WeakPolarHBondContact CA-O 3.26Å; G386-G409 PolarHBondContact N-O 2.9Å; G386-S410 VanDerWaalsContact CA-O 3.22Å; G386-S410 WeakPolarHBondContact CA-O 3.19Å; G386-S410 PolarHBondContact N-O 3.2Å
387	N	89.9	Confident	86.6	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.043	22%	0.219	C	C	.	.	S	Bend	trans	-112.4	-172.7	179.9	-76.1	-62.1	0	0	0	110.3	C361 K364 N365 I366 V384 N385 I389 N411	C361-N387 PolarHBondContact O-ND2 2.66Å; K364-N387 WeakPolarHBondContact CA-OD1 3.48Å; K364-N387 PolarHBondContact N-OD1 2.87Å; N365-N387 PolarHBondContact N-OD1 3.37Å; I366-N387 HydrophobicContact CB-CB 4.21Å; I366-N387 PolarHBondContact N-OD1 3.44Å; V384-N387 PolarHBondContact O-ND2 2.63Å; N385-N387 VanDerWaalsContact C-N 3.29Å; N385-N387 PolarHBondContact O-N 3.33Å; N385-N387 PolarHBondContact O-ND2 2.96Å; N387-I389 HydrophobicContact CB-CD1 4.41Å; N387-I389 HydrophobicContact CB-CG1 4.32Å; N387-N411 WeakPolarHBondContact CA-OD1 3Å; N387-N411 WeakPolarHBondContact CB-OD1 3.32Å; N387-N411 PolarHBondContact O-OD1 2.97Å
388	S	92.3	Very high	87.1	Confident	35 Å²	35	37.6 Å²	37.6	25%	0.245	21%	0.207	C	C	.	.			trans	-114.6	31.2	-178	-67.3	0	0	0	0	112.6	I366 Q412	I366-S388 CarbonylContact O-C 3.56Å; I366-S388 WeakPolarHBondContact O-CA 2.99Å; I366-S388 PolarHBondContact O-N 3.47Å; S388-Q412 PolarHBondContact OG-NE2 3.34Å
389	I	93.4	Very high	87.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.			trans	-68.6	130.9	179	-57	165.8	0	0	0	109.3	I366 Q367 M369 V384 N387 V392 L408 N411 Q412 I413	I366-I389 HydrophobicContact CG2-CD1 4.37Å; I366-I389 HydrophobicContact CG2-CG1 4.2Å; I366-I389 PolarHBondContact O-N 3.35Å; Q367-I389 WeakPolarHBondContact O-CA 3.26Å; M369-I389 HydrophobicContact CG-CD1 4.18Å; M369-I389 HydrophobicContact CG-CG2 4.44Å; M369-I389 HydrophobicContact SD-CD1 3.77Å; V384-I389 HydrophobicContact CB-CD1 4.4Å; N387-I389 HydrophobicContact CB-CD1 4.41Å; N387-I389 HydrophobicContact CB-CG1 4.32Å; I389-V392 HydrophobicContact CG2-CG2 4.26Å; I389-L408 HydrophobicContact CD1-CD2 4.49Å; I389-N411 HydrophobicContact CB-CB 4.44Å; I389-N411 WeakPolarHBondContact CB-OD1 3.03Å; I389-N411 WeakPolarHBondContact CG1-OD1 3.35Å; I389-N411 PolarHBondContact N-OD1 3.17Å; I389-N411 VanDerWaalsContact N-OD1 3.13Å; I389-Q412 CarbonylContact O-C 3.35Å; I389-Q412 VanDerWaalsContact O-CA 3.28Å; I389-Q412 WeakPolarHBondContact O-CA 3.3Å; I389-Q412 PolarHBondContact O-N 3.18Å; I389-I413 HydrophobicContact CB-CG1 4.46Å; I389-I413 HydrophobicContact CG2-CG1 4.2Å; I389-I413 PolarHBondContact O-N 3.49Å; I389-I413 VanDerWaalsContact O-N 3.11Å
390	K	91.4	Very high	87.5	Confident	107 Å²	107	36.1 Å²	36.1	47%	0.465	20%	0.199	S	C	.	.			trans	-113.5	-32.2	-174.6	-68.6	-178.2	-179.6	-179.7	0	115.3	Q412 I413 T414	K390-Q412 WeakPolarHBondContact CA-O 3.34Å; K390-Q412 HydrophobicContact CG-CB 3.91Å; K390-I413 WeakPolarHBondContact O-CA 3.42Å; K390-T414 PolarHBondContact O-N 3.45Å; K390-T414 PolarHBondContact O-OG1 2.85Å
391	D	90.1	Very high	87.5	Confident	95 Å²	95	38.1 Å²	38.1	51%	0.508	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147	-174.9	-58.1	-80.9	0	0	0	107.9	V415	D391-V415 WeakPolarHBondContact CA-O 3.47Å
392	V	91.8	Very high	87.5	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.8	-179.1	-164.5	0	0	0	0	109.9	I389 F397 I413 V415 K417 V420	I389-V392 HydrophobicContact CG2-CG2 4.26Å; V392-F397 HydrophobicContact CG1-CD2 4.42Å; V392-F397 HydrophobicContact CG1-CE2 3.49Å; V392-F397 VanDerWaalsContact CG1-CE2 3.49Å; V392-F397 HydrophobicContact CG1-CZ 4.09Å; V392-I413 HydrophobicContact CG2-CD1 3.89Å; V392-I413 HydrophobicContact CG2-CG1 4.07Å; V392-I413 HydrophobicContact CG2-CG2 4Å; V392-V415 PolarHBondContact N-O 3.35Å; V392-K417 PolarHBondContact O-N 2.73Å; V392-V420 HydrophobicContact CB-CG1 4.45Å; V392-V420 HydrophobicContact CG1-CG1 3.79Å; V392-V420 WeakPolarHBondContact O-CG2 3.24Å
393	D	89.7	Confident	87.5	Confident	55 Å²	55	37.5 Å²	37.5	29%	0.294	22%	0.217	S	C	.	.			trans	-115.1	157.9	-168.8	-146.8	-27.6	0	0	0	112.6	S395 D396 K417	D393-S395 PolarHBondContact O-N 2.69Å; D393-D396 PolarHBondContact N-OD2 2.85Å; D393-D396 WeakPolarHBondContact O-CB 3.46Å; D393-D396 PolarHBondContact O-N 2.91Å; D393-K417 VanDerWaalsContact OD1-CD 3.26Å; D393-K417 WeakPolarHBondContact OD1-CD 3.48Å; D393-K417 IonicContact OD1-NZ 3Å; D393-K417 PolarHBondContact OD1-NZ 2.86Å; D393-K417 IonicContact OD2-NZ 2.64Å; D393-K417 PolarHBondContact OD2-NZ 2.89Å
394	V	87.5	Confident	87.5	Confident	43 Å²	43	38.7 Å²	38.7	26%	0.261	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-32.5	-178.9	-173.1	0	0	0	0	110.8	D396 G418 V420	V394-D396 PolarHBondContact O-N 3.16Å; V394-G418 VanDerWaalsContact CG2-O 3.24Å; V394-G418 WeakPolarHBondContact CG2-O 3.38Å; V394-V420 HydrophobicContact CG2-CG2 4.11Å
395	S	86.1	Confident	87.5	Confident	62 Å²	62	39.4 Å²	39.4	43%	0.434	23%	0.228	S	C	.	.	H	α-helix	trans	-67.6	-11.9	175.4	51.9	0	0	0	0	114.9	K375 D393 T398	K375-S395 PolarHBondContact NZ-O 3.28Å; D393-S395 PolarHBondContact O-N 2.69Å; S395-T398 PolarHBondContact O-OG1 2.78Å
396	D	86.7	Confident	87.7	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-76.4	-44.4	-179.6	-66	-40	0	0	0	110.9	M369 S370 K375 D393 V394	M369-D396 HydrophobicContact CB-CB 3.71Å; M369-D396 WeakPolarHBondContact CB-OD1 3.38Å; M369-D396 HydrophobicContact CG-CB 4.37Å; S370-D396 PolarHBondContact OG-OD1 3.38Å; K375-D396 WeakPolarHBondContact CE-O 3.47Å; K375-D396 PolarHBondContact NZ-O 2.87Å; D393-D396 PolarHBondContact N-OD2 2.85Å; D393-D396 WeakPolarHBondContact O-CB 3.46Å; D393-D396 PolarHBondContact O-N 2.91Å; V394-D396 PolarHBondContact O-N 3.16Å
397	F	88	Confident	88	Confident	3 Å²	3	39.5 Å²	39.5	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-98.3	2.7	-173.1	-61.1	-61.9	0	0	0	116.4	M369 L382 V392 D399 F400 L406 L408 V420 F421 L424	M369-F397 HydrophobicContact CE-CD1 4.5Å; M369-F397 HydrophobicContact CE-CE1 3.6Å; M369-F397 HydrophobicContact CE-CZ 3.93Å; L382-F397 HydrophobicContact CD2-CE1 4.38Å; V392-F397 HydrophobicContact CG1-CD2 4.42Å; V392-F397 HydrophobicContact CG1-CE2 3.49Å; V392-F397 VanDerWaalsContact CG1-CE2 3.49Å; V392-F397 HydrophobicContact CG1-CZ 4.09Å; F397-D399 PolarHBondContact O-N 2.94Å; F397-F400 HydrophobicContact CD1-CB 4.49Å; F397-F400 HydrophobicContact CD1-CD2 4.34Å; F397-F400 WeakPolarHBondContact O-CB 3.26Å; F397-F400 PolarHBondContact O-N 3.14Å; F397-L406 HydrophobicContact CD1-CD2 4.35Å; F397-L406 HydrophobicContact CE1-CD1 3.93Å; F397-L406 HydrophobicContact CE1-CD2 3.76Å; F397-L406 HydrophobicContact CE2-CD2 4.36Å; F397-L406 HydrophobicContact CZ-CD1 4.32Å; F397-L406 HydrophobicContact CZ-CD2 3.78Å; F397-L408 HydrophobicContact CZ-CD1 4.09Å; F397-V420 HydrophobicContact CD2-CG1 3.61Å; F397-V420 HydrophobicContact CE2-CG1 3.71Å; F397-F421 AromaticContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CE1 4.02Å; F397-F421 HydrophobicContact CE2-CD1 4.03Å; F397-F421 AromaticContact CE2-CE1 3.59Å; F397-F421 HydrophobicContact CE2-CE1 3.59Å; F397-F421 HydrophobicContact CZ-CE1 4.27Å; F397-L424 HydrophobicContact CB-CD1 4.31Å; F397-L424 HydrophobicContact CB-CD2 4.16Å; F397-L424 HydrophobicContact CB-CG 4.32Å; F397-L424 HydrophobicContact CD1-CD1 4.35Å; F397-L424 HydrophobicContact CG-CD1 4.16Å
398	T	82.1	Confident	88.2	Confident	54 Å²	54	39.1 Å²	39.1	33%	0.331	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-40.9	180	40.2	0	0	0	0	114.5	K375 S395 N423	K375-T398 PolarHBondContact NZ-OG1 2.89Å; K375-T398 VanDerWaalsContact NZ-OG1 3.14Å; S395-T398 PolarHBondContact O-OG1 2.78Å; T398-N423 PolarHBondContact O-ND2 2.84Å
399	D	80.8	Confident	88	Confident	94 Å²	94	37.5 Å²	37.5	50%	0.503	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9.5	-171.5	-46.2	-102.3	0	0	0	113.3	K375 F397	K375-D399 HydrophobicContact CD-CB 3.93Å; K375-D399 WeakPolarHBondContact CD-OD2 3.18Å; K375-D399 WeakPolarHBondContact CE-OD2 3.24Å; K375-D399 IonicContact NZ-OD2 3.9Å; K375-D399 PolarHBondContact NZ-OD2 3.15Å; F397-D399 PolarHBondContact O-N 2.94Å
400	F	84.4	Confident	87.8	Confident	5 Å²	5	41.2 Å²	41.2	2%	0.022	23%	0.233	C	C	.	.			trans	-112.1	20.7	-168.9	-76	-85.5	0	0	0	114.1	K375 P376 A379 L382 F397 G402 L403 L424	K375-F400 HydrophobicContact CD-CE2 4.06Å; K375-F400 HydrophobicContact CG-CE2 4.3Å; P376-F400 HydrophobicContact CG-CE1 4.01Å; P376-F400 HydrophobicContact CG-CZ 4.21Å; A379-F400 HydrophobicContact CB-CD1 3.85Å; A379-F400 HydrophobicContact CB-CE1 3.92Å; L382-F400 HydrophobicContact CD2-CD1 4.13Å; L382-F400 HydrophobicContact CD2-CE1 3.72Å; L382-F400 HydrophobicContact CD2-CZ 4.06Å; F397-F400 HydrophobicContact CD1-CB 4.49Å; F397-F400 HydrophobicContact CD1-CD2 4.34Å; F397-F400 WeakPolarHBondContact O-CB 3.26Å; F397-F400 PolarHBondContact O-N 3.14Å; F400-G402 PolarHBondContact O-N 2.02Å; F400-L403 HydrophobicContact CB-CD1 3.8Å; F400-L403 HydrophobicContact CB-CG 4.04Å; F400-L403 HydrophobicContact CD1-CD1 3.94Å; F400-L403 HydrophobicContact CD1-CD2 4.29Å; F400-L403 HydrophobicContact CD1-CG 4.1Å; F400-L403 HydrophobicContact CG-CD1 4.19Å; F400-L403 WeakPolarHBondContact O-CG 3.48Å; F400-L403 PolarHBondContact O-N 3.26Å; F400-L424 HydrophobicContact CB-CD2 3.88Å; F400-L424 VanDerWaalsContact O-CD2 3.23Å; F400-L424 WeakPolarHBondContact O-CD2 3.42Å
401	E	85	Confident	87.8	Confident	114 Å²	114	36.7 Å²	36.7	53%	0.533	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-29.2	-178.8	-62.8	175.9	-175	0	0	115.1	N423 N426	E401-N423 HydrophobicContact CG-CB 4.13Å; E401-N426 PolarHBondContact O-ND2 3.37Å
402	G	84.6	Confident	88	Confident	35 Å²	35	35.2 Å²	35.2	36%	0.361	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.6	-178.7	0	0	0	0	0	116.4	A379 F400	A379-G402 CarbonylContact O-C 3.4Å; F400-G402 PolarHBondContact O-N 2.02Å
403	L	88.8	Confident	88.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.			trans	-66.3	135.8	-178.4	-73.1	179.9	0	0	0	112.8	A379 L382 F400 L406 L424 N426 L427	A379-L403 HydrophobicContact CB-CD2 4.04Å; A379-L403 PolarHBondContact O-N 3.21Å; L382-L403 HydrophobicContact CB-CD1 4.19Å; L382-L403 HydrophobicContact CB-CD2 3.76Å; L382-L403 HydrophobicContact CD2-CD1 4.32Å; F400-L403 HydrophobicContact CB-CD1 3.8Å; F400-L403 HydrophobicContact CB-CG 4.04Å; F400-L403 HydrophobicContact CD1-CD1 3.94Å; F400-L403 HydrophobicContact CD1-CD2 4.29Å; F400-L403 HydrophobicContact CD1-CG 4.1Å; F400-L403 HydrophobicContact CG-CD1 4.19Å; F400-L403 WeakPolarHBondContact O-CG 3.48Å; F400-L403 PolarHBondContact O-N 3.26Å; L403-L406 HydrophobicContact CD1-CB 4.45Å; L403-L406 HydrophobicContact CD1-CD1 4.4Å; L403-L424 HydrophobicContact CB-CD2 4.46Å; L403-L424 HydrophobicContact CD1-CD2 4.18Å; L403-N426 CarbonylContact O-C 3.56Å; L403-N426 WeakPolarHBondContact O-CB 3.28Å; L403-L427 HydrophobicContact CB-CD1 3.85Å; L403-L427 VanDerWaalsContact O-CA 3.24Å; L403-L427 WeakPolarHBondContact O-CA 3.47Å; L403-L427 PolarHBondContact O-N 2.04Å; L403-L427 VanDerWaalsContact O-N 3.08Å
404	D	85.7	Confident	88.3	Confident	51 Å²	51	35.4 Å²	35.4	27%	0.273	21%	0.207	S	C	.	.	S	Bend	trans	-107	-32.1	171.3	177.8	68.8	0	0	0	110.7	K380 R428 R429	K380-D404 PolarHBondContact O-N 2.9Å; D404-R428 PolarHBondContact O-N 2.87Å; D404-R428 WeakPolarHBondContact OD1-CD 3.13Å; D404-R428 VanDerWaalsContact OD1-CG 3.29Å; D404-R428 WeakPolarHBondContact OD1-CG 3.44Å; D404-R428 IonicContact OD1-NE 2.75Å; D404-R428 PolarHBondContact OD1-NE 2.94Å; D404-R429 PolarHBondContact O-N 2.85Å; D404-R429 VanDerWaalsContact O-N 3.13Å
405	L	88.2	Confident	88.4	Confident	16 Å²	16	36.7 Å²	36.7	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.6	177.6	-175.9	157.9	0	0	0	111.9	K380 K381 L382 H407 R429 Y431	K380-L405 PolarHBondContact O-N 3.42Å; K381-L405 HydrophobicContact CB-CB 4.45Å; K381-L405 HydrophobicContact CG-CB 4.28Å; L382-L405 PolarHBondContact N-O 2.85Å; L405-H407 HydrophobicContact CD2-CB 3.94Å; L405-R429 WeakPolarHBondContact CA-O 3.4Å; L405-R429 HydrophobicContact CB-CB 4.43Å; L405-R429 HydrophobicContact CD1-CB 4.41Å; L405-R429 HydrophobicContact CG-CB 4.15Å; L405-Y431 HydrophobicContact CD1-CE2 4.32Å; L405-Y431 HydrophobicContact CG-CE2 4.23Å
406	L	92.8	Very high	88.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.3	174.2	177.4	56.1	0	0	0	110.2	L382 V384 F397 L403 L408 F421 L424 L427 R429 L430 Y431	L382-L406 HydrophobicContact CB-CD1 4.15Å; L382-L406 HydrophobicContact CD2-CD1 3.89Å; L382-L406 HydrophobicContact CG-CD1 4.09Å; V384-L406 HydrophobicContact CG2-CD1 4.5Å; F397-L406 HydrophobicContact CD1-CD2 4.35Å; F397-L406 HydrophobicContact CE1-CD1 3.93Å; F397-L406 HydrophobicContact CE1-CD2 3.76Å; F397-L406 HydrophobicContact CE2-CD2 4.36Å; F397-L406 HydrophobicContact CZ-CD1 4.32Å; F397-L406 HydrophobicContact CZ-CD2 3.78Å; L403-L406 HydrophobicContact CD1-CB 4.45Å; L403-L406 HydrophobicContact CD1-CD1 4.4Å; L406-L408 HydrophobicContact CD1-CD1 4.22Å; L406-L408 HydrophobicContact CD1-CG 4.13Å; L406-L408 HydrophobicContact CD2-CD1 3.91Å; L406-L408 HydrophobicContact CG-CD1 3.93Å; L406-L408 HydrophobicContact CG-CG 4.22Å; L406-F421 HydrophobicContact CD2-CD1 4.31Å; L406-F421 HydrophobicContact CD2-CE1 3.89Å; L406-L424 HydrophobicContact CD2-CD1 3.78Å; L406-L427 HydrophobicContact CB-CD1 3.75Å; L406-L427 HydrophobicContact CB-CD2 4.21Å; L406-R429 PolarHBondContact N-O 3.38Å; L406-L430 HydrophobicContact CB-CD1 4.11Å; L406-L430 HydrophobicContact CD2-CD1 3.95Å; L406-L430 HydrophobicContact CG-CD1 4Å; L406-Y431 PolarHBondContact O-N 3.18Å
407	H	89	Confident	88.8	Confident	45 Å²	45	38.2 Å²	38.2	21%	0.208	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	92.6	-174.2	-172.6	-112.5	0	0	0	110.8	L382 V384 N385 L405 Y431	L382-H407 PolarHBondContact O-N 3.05Å; V384-H407 CarbonylContact C-O 3.19Å; V384-H407 WeakPolarHBondContact CG2-O 3.38Å; V384-H407 PolarHBondContact N-O 2.64Å; N385-H407 VanDerWaalsContact CB-CE1 3.46Å; N385-H407 WeakPolarHBondContact CB-CE1 3.31Å; N385-H407 VanDerWaalsContact CB-ND1 3.34Å; N385-H407 WeakPolarHBondContact CB-ND1 3.41Å; N385-H407 PolarHBondContact N-O 3.07Å; N385-H407 PolarHBondContact OD1-CE1 3.22Å; N385-H407 PolarHBondContact OD1-ND1 2.94Å; L405-H407 HydrophobicContact CD2-CB 3.94Å; H407-Y431 HydrophobicContact CB-CD2 4.3Å; H407-Y431 AromaticContact CD2-CD1 3.94Å; H407-Y431 AromaticContact CD2-CD2 3.67Å; H407-Y431 AromaticContact CD2-CG 3.48Å; H407-Y431 VanDerWaalsContact CD2-CG 3.48Å
408	L	93.5	Very high	88.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.			trans	-100.5	6.6	179	-75.5	157.1	0	0	0	112.7	M369 V384 I389 F397 L406 N411 I413 F421 Y431 L432 N435	M369-L408 HydrophobicContact SD-CD2 4.15Å; V384-L408 HydrophobicContact CG2-CD2 3.5Å; V384-L408 HydrophobicContact CG2-CG 3.94Å; I389-L408 HydrophobicContact CD1-CD2 4.49Å; F397-L408 HydrophobicContact CZ-CD1 4.09Å; L406-L408 HydrophobicContact CD1-CD1 4.22Å; L406-L408 HydrophobicContact CD1-CG 4.13Å; L406-L408 HydrophobicContact CD2-CD1 3.91Å; L406-L408 HydrophobicContact CG-CD1 3.93Å; L406-L408 HydrophobicContact CG-CG 4.22Å; L408-N411 PolarHBondContact O-ND2 3.04Å; L408-I413 HydrophobicContact CB-CD1 4.13Å; L408-I413 HydrophobicContact CD2-CD1 4.17Å; L408-F421 HydrophobicContact CD1-CE1 4.4Å; L408-F421 HydrophobicContact CD1-CZ 4.45Å; L408-Y431 CarbonylContact C-O 3.15Å; L408-Y431 WeakPolarHBondContact CA-O 3.21Å; L408-Y431 WeakPolarHBondContact CB-O 3.09Å; L408-Y431 PolarHBondContact N-O 3.24Å; L408-L432 HydrophobicContact CB-CD2 3.92Å; L408-L432 HydrophobicContact CD1-CD2 3.8Å; L408-N435 PolarHBondContact O-ND2 2.73Å; L408-N435 VanDerWaalsContact O-ND2 3.12Å
409	G	89.1	Confident	89.3	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	23%	0.225	C	C	.	.			trans	-61.3	156.9	-176.4	0	0	0	0	0	114.2	N385 G386 N411 Y431 N433	N385-G409 WeakPolarHBondContact CA-O 3.3Å; N385-G409 WeakPolarHBondContact CB-O 3.28Å; G386-G409 PolarHBondContact N-O 2.9Å; G409-N411 PolarHBondContact O-ND2 2.97Å; G409-Y431 PolarHBondContact N-O 3.14Å; G409-N433 CarbonylContact C-O 3.18Å; G409-N433 WeakPolarHBondContact CA-O 3.44Å; G409-N433 WeakPolarHBondContact CA-OD1 3.16Å
410	S	89.1	Confident	89.8	Confident	78 Å²	78	35.4 Å²	35.4	55%	0.545	20%	0.201	S	C	.	.	S	Bend	trans	53.2	56.6	-178.5	-58.1	0	0	0	0	112.8	G386 N433 G434	G386-S410 VanDerWaalsContact CA-O 3.22Å; G386-S410 WeakPolarHBondContact CA-O 3.19Å; G386-S410 PolarHBondContact N-O 3.2Å; S410-N433 PolarHBondContact N-O 3.48Å; S410-G434 WeakPolarHBondContact CA-O 3.43Å
411	N	91.4	Very high	90.2	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.059	20%	0.201	C	C	.	.	S	Bend	trans	-124.1	-165.8	173.1	-90.2	-82.4	0	0	0	109.2	V384 N387 I389 L408 G409 I413 G434 N435	V384-N411 PolarHBondContact O-ND2 2.88Å; N387-N411 WeakPolarHBondContact CA-OD1 3Å; N387-N411 WeakPolarHBondContact CB-OD1 3.32Å; N387-N411 PolarHBondContact O-OD1 2.97Å; I389-N411 HydrophobicContact CB-CB 4.44Å; I389-N411 WeakPolarHBondContact CB-OD1 3.03Å; I389-N411 WeakPolarHBondContact CG1-OD1 3.35Å; I389-N411 PolarHBondContact N-OD1 3.17Å; I389-N411 VanDerWaalsContact N-OD1 3.13Å; L408-N411 PolarHBondContact O-ND2 3.04Å; G409-N411 PolarHBondContact O-ND2 2.97Å; N411-I413 HydrophobicContact CB-CD1 4.19Å; N411-I413 HydrophobicContact CB-CG1 4.05Å; N411-G434 PolarHBondContact N-O 3.02Å; N411-N435 VanDerWaalsContact CA-OD1 3.31Å; N411-N435 WeakPolarHBondContact CA-OD1 3.17Å; N411-N435 WeakPolarHBondContact CB-OD1 3.27Å; N411-N435 PolarHBondContact N-OD1 3.11Å; N411-N435 PolarHBondContact O-OD1 2.91Å
412	Q	93.3	Very high	90.4	Very high	65 Å²	65	32.9 Å²	32.9	30%	0.304	19%	0.19	S	C	.	.			trans	-112.8	26.2	178.2	-64.9	172.9	38.7	0	0	111.5	S388 I389 K390 T414 N435	S388-Q412 PolarHBondContact OG-NE2 3.34Å; I389-Q412 CarbonylContact O-C 3.35Å; I389-Q412 VanDerWaalsContact O-CA 3.28Å; I389-Q412 WeakPolarHBondContact O-CA 3.3Å; I389-Q412 PolarHBondContact O-N 3.18Å; K390-Q412 WeakPolarHBondContact CA-O 3.34Å; K390-Q412 HydrophobicContact CG-CB 3.91Å; Q412-T414 PolarHBondContact O-N 2.86Å; Q412-T414 VanDerWaalsContact O-N 3.16Å; Q412-N435 PolarHBondContact N-OD1 3.09Å
413	I	95.2	Very high	90.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.			trans	-66.3	118	-170.1	-59.8	165.7	0	0	0	109.6	I389 K390 V392 L408 N411 I416 L432 N435 Q436 I437	I389-I413 HydrophobicContact CB-CG1 4.46Å; I389-I413 HydrophobicContact CG2-CG1 4.2Å; I389-I413 PolarHBondContact O-N 3.49Å; I389-I413 VanDerWaalsContact O-N 3.11Å; K390-I413 WeakPolarHBondContact O-CA 3.42Å; V392-I413 HydrophobicContact CG2-CD1 3.89Å; V392-I413 HydrophobicContact CG2-CG1 4.07Å; V392-I413 HydrophobicContact CG2-CG2 4Å; L408-I413 HydrophobicContact CB-CD1 4.13Å; L408-I413 HydrophobicContact CD2-CD1 4.17Å; N411-I413 HydrophobicContact CB-CD1 4.19Å; N411-I413 HydrophobicContact CB-CG1 4.05Å; I413-I416 HydrophobicContact CG2-CD1 4.45Å; I413-I416 HydrophobicContact CG2-CG1 3.74Å; I413-L432 HydrophobicContact CD1-CD2 4.49Å; I413-N435 HydrophobicContact CB-CB 4.18Å; I413-N435 VanDerWaalsContact CB-OD1 3.29Å; I413-N435 WeakPolarHBondContact CB-OD1 3.26Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.38Å; I413-N435 PolarHBondContact N-OD1 2.85Å; I413-Q436 CarbonylContact O-C 3.53Å; I413-Q436 VanDerWaalsContact O-CA 3.31Å; I413-Q436 WeakPolarHBondContact O-CA 3.47Å; I413-Q436 PolarHBondContact O-N 3.12Å; I413-I437 HydrophobicContact CG2-CG1 4.35Å; I413-I437 PolarHBondContact O-N 3.4Å
414	T	92.6	Very high	90.7	Very high	61 Å²	61	33.4 Å²	33.4	37%	0.374	18%	0.184	S	C	.	.			trans	-107	-37.5	176.3	54.9	0	0	0	0	111.8	K390 Q412 Q436	K390-T414 PolarHBondContact O-N 3.45Å; K390-T414 PolarHBondContact O-OG1 2.85Å; Q412-T414 PolarHBondContact O-N 2.86Å; Q412-T414 VanDerWaalsContact O-N 3.16Å; T414-Q436 HydrophobicContact CG2-CB 3.67Å
415	V	89.1	Confident	91	Very high	71 Å²	71	33.8 Å²	33.8	43%	0.43	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121	179.5	-174.9	0	0	0	0	110.4	D391 V392	D391-V415 WeakPolarHBondContact CA-O 3.47Å; V392-V415 PolarHBondContact N-O 3.35Å
416	I	92.8	Very high	91	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.2	159.5	-50	172	0	0	0	105.8	I413 V420 F421 L432 I437 Y441 I444	I413-I416 HydrophobicContact CG2-CD1 4.45Å; I413-I416 HydrophobicContact CG2-CG1 3.74Å; I416-V420 HydrophobicContact CG2-CB 3.97Å; I416-V420 HydrophobicContact CG2-CG1 4.07Å; I416-V420 HydrophobicContact CG2-CG2 4.02Å; I416-F421 HydrophobicContact CG2-CE2 4.33Å; I416-F421 HydrophobicContact CG2-CZ 4.42Å; I416-L432 HydrophobicContact CD1-CD1 3.93Å; I416-L432 HydrophobicContact CD1-CD2 4Å; I416-I437 HydrophobicContact CD1-CD1 3.79Å; I416-I437 HydrophobicContact CD1-CG1 4.4Å; I416-Y441 PolarHBondContact O-OH 3.27Å; I416-I444 HydrophobicContact CB-CG2 4.34Å; I416-I444 HydrophobicContact CD1-CG2 4.41Å; I416-I444 HydrophobicContact CG2-CG2 3.92Å
417	K	89.9	Confident	91.1	Very high	93 Å²	93	36.9 Å²	36.9	40%	0.404	21%	0.205	S	C	.	.			trans	-76.1	165	174.5	-70.9	-179.5	-178.6	179.8	0	112.1	V392 D393 V420 Y441	V392-K417 PolarHBondContact O-N 2.73Å; D393-K417 VanDerWaalsContact OD1-CD 3.26Å; D393-K417 WeakPolarHBondContact OD1-CD 3.48Å; D393-K417 IonicContact OD1-NZ 3Å; D393-K417 PolarHBondContact OD1-NZ 2.86Å; D393-K417 IonicContact OD2-NZ 2.64Å; D393-K417 PolarHBondContact OD2-NZ 2.89Å; K417-V420 HydrophobicContact CB-CG2 3.61Å; K417-V420 WeakPolarHBondContact O-CG2 3.5Å; K417-Y441 WeakPolarHBondContact CA-OH 3.32Å
418	G	89.3	Confident	91	Very high	21 Å²	21	40.4 Å²	40.4	22%	0.216	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	150.2	166.7	0	0	0	0	0	111.5	V394 V420 Y441	V394-G418 VanDerWaalsContact CG2-O 3.24Å; V394-G418 WeakPolarHBondContact CG2-O 3.38Å; G418-V420 PolarHBondContact O-N 3.09Å; G418-Y441 PolarHBondContact N-OH 3.47Å; G418-Y441 VanDerWaalsContact N-OH 3.11Å
419	D	90.1	Very high	90.8	Very high	69 Å²	69	43.3 Å²	43.3	37%	0.369	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	14.3	180	-61.6	-67.2	0	0	0	115.6	F421 H422 E443 S446	D419-F421 PolarHBondContact O-N 2.7Å; D419-F421 VanDerWaalsContact O-N 3.12Å; D419-H422 HydrophobicContact CB-CB 4.19Å; D419-H422 WeakPolarHBondContact O-CB 3.45Å; D419-H422 PolarHBondContact O-N 2.65Å; D419-H422 VanDerWaalsContact O-N 3.11Å; D419-H422 PolarHBondContact O-ND1 3.19Å; D419-E443 WeakPolarHBondContact CA-O 3.4Å; D419-E443 PolarHBondContact N-O 3.45Å; D419-S446 WeakPolarHBondContact OD1-CB 3.24Å; D419-S446 PolarHBondContact OD1-OG 3.4Å
420	V	91.6	Very high	91.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.5	179	167.7	0	0	0	0	112.6	V392 V394 F397 I416 K417 G418	V392-V420 HydrophobicContact CB-CG1 4.45Å; V392-V420 HydrophobicContact CG1-CG1 3.79Å; V392-V420 WeakPolarHBondContact O-CG2 3.24Å; V394-V420 HydrophobicContact CG2-CG2 4.11Å; F397-V420 HydrophobicContact CD2-CG1 3.61Å; F397-V420 HydrophobicContact CE2-CG1 3.71Å; I416-V420 HydrophobicContact CG2-CB 3.97Å; I416-V420 HydrophobicContact CG2-CG1 4.07Å; I416-V420 HydrophobicContact CG2-CG2 4.02Å; K417-V420 HydrophobicContact CB-CG2 3.61Å; K417-V420 WeakPolarHBondContact O-CG2 3.5Å; G418-V420 PolarHBondContact O-N 3.09Å
421	F	92.6	Very high	91.2	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	7.9	-179	-54.2	-51	0	0	0	114.7	F397 L406 L408 I416 D419 N423 L424 L430 L432 I444 F445 S446 L448	F397-F421 AromaticContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CE1 4.02Å; F397-F421 HydrophobicContact CE2-CD1 4.03Å; F397-F421 AromaticContact CE2-CE1 3.59Å; F397-F421 HydrophobicContact CE2-CE1 3.59Å; F397-F421 HydrophobicContact CZ-CE1 4.27Å; L406-F421 HydrophobicContact CD2-CD1 4.31Å; L406-F421 HydrophobicContact CD2-CE1 3.89Å; L408-F421 HydrophobicContact CD1-CE1 4.4Å; L408-F421 HydrophobicContact CD1-CZ 4.45Å; I416-F421 HydrophobicContact CG2-CE2 4.33Å; I416-F421 HydrophobicContact CG2-CZ 4.42Å; D419-F421 PolarHBondContact O-N 2.7Å; D419-F421 VanDerWaalsContact O-N 3.12Å; F421-N423 VanDerWaalsContact C-N 3.29Å; F421-N423 PolarHBondContact O-N 2.88Å; F421-N423 VanDerWaalsContact O-N 3.12Å; F421-L424 HydrophobicContact CB-CD1 4.33Å; F421-L424 HydrophobicContact CD1-CD1 3.72Å; F421-L424 HydrophobicContact CG-CD1 4.44Å; F421-L424 WeakPolarHBondContact O-CB 3.5Å; F421-L424 PolarHBondContact O-N 3.05Å; F421-L430 HydrophobicContact CD2-CD2 4.18Å; F421-L430 HydrophobicContact CE2-CD2 3.91Å; F421-L430 HydrophobicContact CZ-CD1 4.34Å; F421-L430 HydrophobicContact CZ-CD2 4.26Å; F421-L432 HydrophobicContact CE2-CD1 4.34Å; F421-L432 HydrophobicContact CZ-CD1 4.43Å; F421-I444 HydrophobicContact CD2-CG2 4.28Å; F421-I444 VanDerWaalsContact CD2-O 3.24Å; F421-I444 WeakPolarHBondContact CD2-O 3.42Å; F421-I444 HydrophobicContact CE2-CG2 4.02Å; F421-F445 HydrophobicContact CD2-CD1 4.26Å; F421-F445 HydrophobicContact CE2-CD1 4.42Å; F421-F445 HydrophobicContact CE2-CE1 4.42Å; F421-S446 CarbonylContact C-O 3.38Å; F421-L448 HydrophobicContact CB-CD1 3.95Å; F421-L448 HydrophobicContact CB-CD2 3.83Å; F421-L448 HydrophobicContact CB-CG 3.82Å; F421-L448 HydrophobicContact CD2-CD1 3.96Å; F421-L448 HydrophobicContact CG-CD1 4.22Å
422	H	90.4	Very high	91.4	Very high	65 Å²	65	40.8 Å²	40.8	30%	0.301	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.3	-170.9	73.7	-73.8	0	0	0	114.8	D419 S446	D419-H422 HydrophobicContact CB-CB 4.19Å; D419-H422 WeakPolarHBondContact O-CB 3.45Å; D419-H422 PolarHBondContact O-N 2.65Å; D419-H422 VanDerWaalsContact O-N 3.11Å; D419-H422 PolarHBondContact O-ND1 3.19Å; H422-S446 WeakPolarHBondContact CA-O 3.26Å; H422-S446 PolarHBondContact N-O 2.93Å
423	N	88.1	Confident	91.3	Very high	47 Å²	47	39.2 Å²	39.2	25%	0.251	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.2	179.1	-88.4	5.7	0	0	0	114.1	T398 E401 F421 T425	T398-N423 PolarHBondContact O-ND2 2.84Å; E401-N423 HydrophobicContact CG-CB 4.13Å; F421-N423 VanDerWaalsContact C-N 3.29Å; F421-N423 PolarHBondContact O-N 2.88Å; F421-N423 VanDerWaalsContact O-N 3.12Å; N423-T425 PolarHBondContact O-N 3.04Å
424	L	91.4	Very high	91	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.			trans	-81.8	43.8	-174.4	-57.2	-170.7	0	0	0	112.8	F397 F400 L403 L406 F421 N426 L427 L448	F397-L424 HydrophobicContact CB-CD1 4.31Å; F397-L424 HydrophobicContact CB-CD2 4.16Å; F397-L424 HydrophobicContact CB-CG 4.32Å; F397-L424 HydrophobicContact CD1-CD1 4.35Å; F397-L424 HydrophobicContact CG-CD1 4.16Å; F400-L424 HydrophobicContact CB-CD2 3.88Å; F400-L424 VanDerWaalsContact O-CD2 3.23Å; F400-L424 WeakPolarHBondContact O-CD2 3.42Å; L403-L424 HydrophobicContact CB-CD2 4.46Å; L403-L424 HydrophobicContact CD1-CD2 4.18Å; L406-L424 HydrophobicContact CD2-CD1 3.78Å; F421-L424 HydrophobicContact CB-CD1 4.33Å; F421-L424 HydrophobicContact CD1-CD1 3.72Å; F421-L424 HydrophobicContact CG-CD1 4.44Å; F421-L424 WeakPolarHBondContact O-CB 3.5Å; F421-L424 PolarHBondContact O-N 3.05Å; L424-N426 PolarHBondContact O-N 2.92Å; L424-N426 VanDerWaalsContact O-N 3.09Å; L424-L427 HydrophobicContact CB-CB 4.14Å; L424-L427 HydrophobicContact CB-CD2 4.42Å; L424-L427 HydrophobicContact CD1-CD2 4.19Å; L424-L427 WeakPolarHBondContact O-CB 2.98Å; L424-L427 PolarHBondContact O-N 2.85Å; L424-L448 HydrophobicContact CB-CD2 3.96Å
425	T	90.6	Very high	91.1	Very high	58 Å²	58	38 Å²	38	36%	0.356	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.7	-173	59.9	0	0	0	0	114.3	N423 N450	N423-T425 PolarHBondContact O-N 3.04Å; T425-N450 WeakPolarHBondContact O-CB 3.22Å; T425-N450 PolarHBondContact O-ND2 3.05Å
426	N	90	Very high	91.4	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-9.2	177.6	-67.6	-70.6	0	0	0	114.2	E401 L403 L424	E401-N426 PolarHBondContact O-ND2 3.37Å; L403-N426 CarbonylContact O-C 3.56Å; L403-N426 WeakPolarHBondContact O-CB 3.28Å; L424-N426 PolarHBondContact O-N 2.92Å; L424-N426 VanDerWaalsContact O-N 3.09Å
427	L	93.6	Very high	91.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.			trans	-67.7	131.7	-169.1	-165.2	74.6	0	0	0	111.7	L403 L406 L424 L430 L448 N450 L451	L403-L427 HydrophobicContact CB-CD1 3.85Å; L403-L427 VanDerWaalsContact O-CA 3.24Å; L403-L427 WeakPolarHBondContact O-CA 3.47Å; L403-L427 PolarHBondContact O-N 2.04Å; L403-L427 VanDerWaalsContact O-N 3.08Å; L406-L427 HydrophobicContact CB-CD1 3.75Å; L406-L427 HydrophobicContact CB-CD2 4.21Å; L424-L427 HydrophobicContact CB-CB 4.14Å; L424-L427 HydrophobicContact CB-CD2 4.42Å; L424-L427 HydrophobicContact CD1-CD2 4.19Å; L424-L427 WeakPolarHBondContact O-CB 2.98Å; L424-L427 PolarHBondContact O-N 2.85Å; L427-L430 HydrophobicContact CD2-CB 3.99Å; L427-L430 HydrophobicContact CD2-CD1 4.3Å; L427-L430 HydrophobicContact CD2-CD2 4.45Å; L427-L430 HydrophobicContact CD2-CG 4.48Å; L427-L448 HydrophobicContact CB-CD2 4.01Å; L427-L448 HydrophobicContact CD2-CD2 3.69Å; L427-L448 HydrophobicContact CG-CD2 4.46Å; L427-N450 CarbonylContact O-C 3.57Å; L427-L451 HydrophobicContact CB-CD1 4.34Å; L427-L451 HydrophobicContact CD2-CD1 3.96Å; L427-L451 HydrophobicContact CG-CD1 3.94Å; L427-L451 VanDerWaalsContact O-CA 3.24Å; L427-L451 WeakPolarHBondContact O-CA 3.2Å; L427-L451 PolarHBondContact O-N 3.27Å; L427-L451 VanDerWaalsContact O-N 3.09Å
428	R	88.1	Confident	91.7	Very high	119 Å²	119	38 Å²	38	45%	0.449	19%	0.193	S	C	.	.			trans	-112.4	-34.3	179.1	-60.4	-172	-168	-154.6	-3	113.9	D404 Q452 Y453	D404-R428 PolarHBondContact O-N 2.87Å; D404-R428 WeakPolarHBondContact OD1-CD 3.13Å; D404-R428 VanDerWaalsContact OD1-CG 3.29Å; D404-R428 WeakPolarHBondContact OD1-CG 3.44Å; D404-R428 IonicContact OD1-NE 2.75Å; D404-R428 PolarHBondContact OD1-NE 2.94Å; R428-Q452 PolarHBondContact O-N 3.26Å; R428-Y453 PolarHBondContact O-N 3.22Å
429	R	88.8	Confident	91.9	Very high	60 Å²	60	44.2 Å²	44.2	23%	0.226	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.4	-177.5	-62.3	-179.4	179.9	-173.8	3.8	109.8	E239 D404 L405 L406 Y431 Y453	E239-R429 IonicContact OE1-CZ 2.73Å; E239-R429 IonicContact OE1-NH1 2.66Å; E239-R429 PolarHBondContact OE1-NH1 2.97Å; E239-R429 IonicContact OE1-NH2 2.79Å; E239-R429 PolarHBondContact OE1-NH2 3.19Å; E239-R429 IonicContact OE2-CZ 2.63Å; E239-R429 IonicContact OE2-NH1 3.19Å; E239-R429 PolarHBondContact OE2-NH1 2.82Å; E239-R429 IonicContact OE2-NH2 2.76Å; D404-R429 PolarHBondContact O-N 2.85Å; D404-R429 VanDerWaalsContact O-N 3.13Å; L405-R429 WeakPolarHBondContact CA-O 3.4Å; L405-R429 HydrophobicContact CB-CB 4.43Å; L405-R429 HydrophobicContact CD1-CB 4.41Å; L405-R429 HydrophobicContact CG-CB 4.15Å; L406-R429 PolarHBondContact N-O 3.38Å; R429-Y431 HydrophobicContact CB-CE2 3.79Å; R429-Y453 HydrophobicContact CG-CD2 3.79Å; R429-Y453 HydrophobicContact CG-CG 4.34Å
430	L	95.4	Very high	92.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.5	176.2	176.8	56.8	0	0	0	109.7	L406 F421 L427 L432 F445 L448 L451 Y453 L454 Y455	L406-L430 HydrophobicContact CB-CD1 4.11Å; L406-L430 HydrophobicContact CD2-CD1 3.95Å; L406-L430 HydrophobicContact CG-CD1 4Å; F421-L430 HydrophobicContact CD2-CD2 4.18Å; F421-L430 HydrophobicContact CE2-CD2 3.91Å; F421-L430 HydrophobicContact CZ-CD1 4.34Å; F421-L430 HydrophobicContact CZ-CD2 4.26Å; L427-L430 HydrophobicContact CD2-CB 3.99Å; L427-L430 HydrophobicContact CD2-CD1 4.3Å; L427-L430 HydrophobicContact CD2-CD2 4.45Å; L427-L430 HydrophobicContact CD2-CG 4.48Å; L430-L432 HydrophobicContact CD1-CD1 4.4Å; L430-L432 HydrophobicContact CD1-CG 4.17Å; L430-L432 HydrophobicContact CD2-CD1 4.05Å; L430-L432 HydrophobicContact CG-CD1 4.14Å; L430-L432 HydrophobicContact CG-CG 4.23Å; L430-F445 HydrophobicContact CD2-CD1 4.35Å; L430-F445 HydrophobicContact CD2-CE1 4.19Å; L430-L448 HydrophobicContact CD2-CD1 3.83Å; L430-L451 HydrophobicContact CB-CD1 3.7Å; L430-L451 HydrophobicContact CB-CD2 4.11Å; L430-Y453 PolarHBondContact N-O 2.85Å; L430-L454 HydrophobicContact CB-CD1 4.1Å; L430-L454 HydrophobicContact CD2-CD1 3.96Å; L430-L454 HydrophobicContact CG-CD1 3.96Å; L430-Y455 PolarHBondContact O-N 2.92Å
431	Y	91.2	Very high	92.2	Very high	38 Å²	38	44 Å²	44	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	178.2	-53.4	-108.8	0	0	0	110.4	L405 L406 H407 L408 G409 R429 Y455	L405-Y431 HydrophobicContact CD1-CE2 4.32Å; L405-Y431 HydrophobicContact CG-CE2 4.23Å; L406-Y431 PolarHBondContact O-N 3.18Å; H407-Y431 HydrophobicContact CB-CD2 4.3Å; H407-Y431 AromaticContact CD2-CD1 3.94Å; H407-Y431 AromaticContact CD2-CD2 3.67Å; H407-Y431 AromaticContact CD2-CG 3.48Å; H407-Y431 VanDerWaalsContact CD2-CG 3.48Å; L408-Y431 CarbonylContact C-O 3.15Å; L408-Y431 WeakPolarHBondContact CA-O 3.21Å; L408-Y431 WeakPolarHBondContact CB-O 3.09Å; L408-Y431 PolarHBondContact N-O 3.24Å; G409-Y431 PolarHBondContact N-O 3.14Å; R429-Y431 HydrophobicContact CB-CE2 3.79Å; Y431-Y455 HydrophobicContact CD1-CD1 4.3Å; Y431-Y455 AromaticContact CD1-CD2 3.23Å; Y431-Y455 HydrophobicContact CD1-CD2 3.23Å; Y431-Y455 AromaticContact CD1-CE2 3.79Å; Y431-Y455 HydrophobicContact CD1-CE2 3.79Å; Y431-Y455 AromaticContact CD1-CG 3.52Å; Y431-Y455 HydrophobicContact CD1-CG 3.52Å; Y431-Y455 HydrophobicContact CD2-CD2 4.43Å; Y431-Y455 HydrophobicContact CE1-CD1 4.33Å; Y431-Y455 AromaticContact CE1-CD2 3.28Å; Y431-Y455 HydrophobicContact CE1-CD2 3.28Å; Y431-Y455 HydrophobicContact CE1-CE1 4.34Å; Y431-Y455 AromaticContact CE1-CE2 3.27Å; Y431-Y455 HydrophobicContact CE1-CE2 3.27Å; Y431-Y455 AromaticContact CE1-CG 3.83Å; Y431-Y455 HydrophobicContact CE1-CG 3.83Å; Y431-Y455 AromaticContact CE1-CZ 3.84Å; Y431-Y455 HydrophobicContact CE2-CD2 4.47Å; Y431-Y455 HydrophobicContact CE2-CE2 4.47Å; Y431-Y455 AromaticContact CG-CD2 3.85Å; Y431-Y455 HydrophobicContact CG-CD2 3.85Å; Y431-Y455 HydrophobicContact CG-CG 4.33Å; Y431-Y455 AromaticContact CZ-CD2 3.93Å; Y431-Y455 AromaticContact CZ-CE2 3.67Å
432	L	95.4	Very high	92.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.			trans	-124.6	11.7	177.4	-70.6	166.8	0	0	0	111	L408 I413 I416 F421 L430 N435 I437 F445 Y455 L456 N459	L408-L432 HydrophobicContact CB-CD2 3.92Å; L408-L432 HydrophobicContact CD1-CD2 3.8Å; I413-L432 HydrophobicContact CD1-CD2 4.49Å; I416-L432 HydrophobicContact CD1-CD1 3.93Å; I416-L432 HydrophobicContact CD1-CD2 4Å; F421-L432 HydrophobicContact CE2-CD1 4.34Å; F421-L432 HydrophobicContact CZ-CD1 4.43Å; L430-L432 HydrophobicContact CD1-CD1 4.4Å; L430-L432 HydrophobicContact CD1-CG 4.17Å; L430-L432 HydrophobicContact CD2-CD1 4.05Å; L430-L432 HydrophobicContact CG-CD1 4.14Å; L430-L432 HydrophobicContact CG-CG 4.23Å; L432-N435 WeakPolarHBondContact O-CB 3.37Å; L432-N435 PolarHBondContact O-ND2 2.95Å; L432-I437 HydrophobicContact CB-CD1 4.07Å; L432-F445 HydrophobicContact CD1-CE1 4.15Å; L432-Y455 CarbonylContact C-O 3.09Å; L432-Y455 WeakPolarHBondContact CA-O 3.14Å; L432-Y455 PolarHBondContact N-O 3.26Å; L432-L456 HydrophobicContact CB-CD2 3.75Å; L432-L456 HydrophobicContact CD1-CD2 4.01Å; L432-N459 PolarHBondContact O-ND2 3.42Å
433	N	91.4	Very high	92.2	Very high	31 Å²	31	47.1 Å²	47.1	17%	0.166	22%	0.222	C	C	.	.			trans	-64	152.3	-179.1	59.4	-18.7	0	0	0	113.2	G409 S410 N435 Y455 E457	G409-N433 CarbonylContact C-O 3.18Å; G409-N433 WeakPolarHBondContact CA-O 3.44Å; G409-N433 WeakPolarHBondContact CA-OD1 3.16Å; S410-N433 PolarHBondContact N-O 3.48Å; N433-N435 PolarHBondContact O-N 2.97Å; N433-N435 PolarHBondContact O-ND2 3.34Å; N433-Y455 PolarHBondContact N-O 3.27Å; N433-E457 CarbonylContact C-O 3.11Å; N433-E457 WeakPolarHBondContact CA-O 3.15Å; N433-E457 HydrophobicContact CB-CG 3.92Å; N433-E457 WeakPolarHBondContact CB-O 3.35Å; N433-E457 VanDerWaalsContact CB-OE1 3.23Å; N433-E457 WeakPolarHBondContact CB-OE1 3.37Å; N433-E457 PolarHBondContact ND2-OE1 3.31Å
434	G	88.1	Confident	92.5	Very high	28 Å²	28	45 Å²	45	29%	0.289	21%	0.211	S	C	.	.	S	Bend	trans	63.4	37.4	-179.6	0	0	0	0	0	114	S410 N411 E457 Y458	S410-G434 WeakPolarHBondContact CA-O 3.43Å; N411-G434 PolarHBondContact N-O 3.02Å; G434-E457 PolarHBondContact N-O 3.4Å; G434-Y458 VanDerWaalsContact CA-O 3.25Å; G434-Y458 WeakPolarHBondContact CA-O 2.88Å; G434-Y458 PolarHBondContact N-O 3.35Å
435	N	94.3	Very high	92.6	Very high	7 Å²	7	45 Å²	45	4%	0.037	21%	0.211	C	C	.	.	S	Bend	trans	-116.7	-168.1	175.7	-82.9	-76.1	0	0	0	110.4	L408 N411 Q412 I413 L432 N433 I437 N459	L408-N435 PolarHBondContact O-ND2 2.73Å; L408-N435 VanDerWaalsContact O-ND2 3.12Å; N411-N435 VanDerWaalsContact CA-OD1 3.31Å; N411-N435 WeakPolarHBondContact CA-OD1 3.17Å; N411-N435 WeakPolarHBondContact CB-OD1 3.27Å; N411-N435 PolarHBondContact N-OD1 3.11Å; N411-N435 PolarHBondContact O-OD1 2.91Å; Q412-N435 PolarHBondContact N-OD1 3.09Å; I413-N435 HydrophobicContact CB-CB 4.18Å; I413-N435 VanDerWaalsContact CB-OD1 3.29Å; I413-N435 WeakPolarHBondContact CB-OD1 3.26Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.38Å; I413-N435 PolarHBondContact N-OD1 2.85Å; L432-N435 WeakPolarHBondContact O-CB 3.37Å; L432-N435 PolarHBondContact O-ND2 2.95Å; N433-N435 PolarHBondContact O-N 2.97Å; N433-N435 PolarHBondContact O-ND2 3.34Å; N435-I437 HydrophobicContact CB-CD1 4.31Å; N435-I437 HydrophobicContact CB-CG1 4.21Å; N435-N459 WeakPolarHBondContact CA-OD1 3.21Å; N435-N459 WeakPolarHBondContact CB-OD1 3.12Å; N435-N459 PolarHBondContact O-OD1 3.41Å
436	Q	95.3	Very high	92.7	Very high	88 Å²	88	43.6 Å²	43.6	41%	0.411	20%	0.203	S	C	.	.			trans	-119.2	28.2	-175.3	-60.9	-177.5	16.7	0	0	112	I413 T414 E438 N459 L460	I413-Q436 CarbonylContact O-C 3.53Å; I413-Q436 VanDerWaalsContact O-CA 3.31Å; I413-Q436 WeakPolarHBondContact O-CA 3.47Å; I413-Q436 PolarHBondContact O-N 3.12Å; T414-Q436 HydrophobicContact CG2-CB 3.67Å; Q436-E438 PolarHBondContact O-N 3.12Å; Q436-N459 PolarHBondContact N-OD1 3.28Å; Q436-L460 HydrophobicContact CB-CD1 4.26Å
437	I	95.8	Very high	92.6	Very high	3 Å²	3	40 Å²	40	2%	0.015	19%	0.186	C	C	.	.			trans	-68.5	124	-176	-56.7	165.3	0	0	0	109.4	I413 I416 L432 N435 L440 L456 N459 L460 I461	I413-I437 HydrophobicContact CG2-CG1 4.35Å; I413-I437 PolarHBondContact O-N 3.4Å; I416-I437 HydrophobicContact CD1-CD1 3.79Å; I416-I437 HydrophobicContact CD1-CG1 4.4Å; L432-I437 HydrophobicContact CB-CD1 4.07Å; N435-I437 HydrophobicContact CB-CD1 4.31Å; N435-I437 HydrophobicContact CB-CG1 4.21Å; I437-L440 HydrophobicContact CG2-CD2 3.86Å; I437-L456 HydrophobicContact CD1-CD2 4.29Å; I437-N459 WeakPolarHBondContact CB-OD1 3.31Å; I437-N459 WeakPolarHBondContact CG1-OD1 3.39Å; I437-N459 PolarHBondContact N-OD1 3.06Å; I437-N459 VanDerWaalsContact N-OD1 3.14Å; I437-L460 CarbonylContact O-C 3.32Å; I437-L460 WeakPolarHBondContact O-CA 3.47Å; I437-L460 PolarHBondContact O-N 3.09Å; I437-L460 VanDerWaalsContact O-N 3.17Å; I437-I461 HydrophobicContact CB-CG1 4.41Å; I437-I461 HydrophobicContact CG2-CG1 4.33Å; I437-I461 WeakPolarHBondContact O-CA 3.36Å; I437-I461 WeakPolarHBondContact O-CG1 3.26Å; I437-I461 PolarHBondContact O-N 3.04Å
438	E	94.1	Very high	92.6	Very high	79 Å²	79	40 Å²	40	37%	0.369	19%	0.186	S	C	.	.			trans	-96.2	-25.4	-177.5	-63	-146.7	148.2	0	0	115.3	Q436 L460 I461 K462	Q436-E438 PolarHBondContact O-N 3.12Å; E438-L460 HydrophobicContact CG-CB 4.47Å; E438-I461 WeakPolarHBondContact O-CA 3.43Å; E438-K462 PolarHBondContact O-N 3.11Å; E438-K462 WeakPolarHBondContact OE1-CE 3.03Å; E438-K462 IonicContact OE1-NZ 3.15Å; E438-K462 PolarHBondContact OE1-NZ 3.43Å; E438-K462 IonicContact OE2-NZ 3.92Å; E438-K462 PolarHBondContact OE2-NZ 3.35Å
439	R	93.1	Very high	92.7	Very high	152 Å²	152	38.8 Å²	38.8	57%	0.574	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.6	-175.6	-67.8	-166.9	170.1	106.6	-5	111.3	E463	R439-E463 WeakPolarHBondContact CA-O 3.26Å; R439-E463 HydrophobicContact CG-CB 4.3Å; R439-E463 IonicContact CZ-OE2 3.19Å; R439-E463 IonicContact NE-OE2 3.56Å; R439-E463 PolarHBondContact NE-OE2 3.07Å; R439-E463 IonicContact NH2-OE2 2.93Å; R439-E463 PolarHBondContact NH2-OE2 2.82Å
440	L	95.1	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.3	169.6	-57.4	175.9	0	0	0	111.1	I437 I444 F445 L456 I461 E463 I464 L465 T468	I437-L440 HydrophobicContact CG2-CD2 3.86Å; L440-I444 HydrophobicContact CD2-CD1 4Å; L440-F445 HydrophobicContact CB-CE2 4.4Å; L440-F445 HydrophobicContact CD1-CE2 4.15Å; L440-F445 HydrophobicContact CD1-CZ 4.37Å; L440-F445 HydrophobicContact CD2-CE2 4.07Å; L440-F445 HydrophobicContact CD2-CZ 3.98Å; L440-F445 HydrophobicContact CG-CE2 4.45Å; L440-L456 HydrophobicContact CD1-CD1 3.77Å; L440-L456 HydrophobicContact CD1-CD2 4.48Å; L440-L456 HydrophobicContact CD2-CD2 4.47Å; L440-I461 HydrophobicContact CD1-CD1 3.95Å; L440-I461 HydrophobicContact CD1-CG2 4.49Å; L440-I461 HydrophobicContact CG-CD1 4.28Å; L440-I461 HydrophobicContact CG-CG2 4.23Å; L440-E463 PolarHBondContact N-O 3.47Å; L440-E463 VanDerWaalsContact N-O 3.11Å; L440-I464 HydrophobicContact CB-CG1 4.28Å; L440-I464 HydrophobicContact CB-CG2 4.42Å; L440-I464 HydrophobicContact CD1-CD1 4.34Å; L440-I464 HydrophobicContact CD1-CG1 4.22Å; L440-L465 PolarHBondContact O-N 3.49Å; L440-T468 HydrophobicContact CB-CG2 3.84Å
441	Y	93.5	Very high	92.9	Very high	65 Å²	65	39 Å²	39	26%	0.255	19%	0.191	S	C	.	.			trans	-140.8	154.2	-178.1	56.7	-87.1	0	0	0	110.8	I416 K417 G418 E443 I444	I416-Y441 PolarHBondContact O-OH 3.27Å; K417-Y441 WeakPolarHBondContact CA-OH 3.32Å; G418-Y441 PolarHBondContact N-OH 3.47Å; G418-Y441 VanDerWaalsContact N-OH 3.11Å; Y441-E443 VanDerWaalsContact C-N 3.3Å; Y441-E443 HydrophobicContact CD2-CB 3.99Å; Y441-E443 WeakPolarHBondContact CD2-OE2 3.35Å; Y441-E443 HydrophobicContact CE2-CB 4.06Å; Y441-E443 PolarHBondContact O-N 3.43Å; Y441-I444 HydrophobicContact CD1-CD1 3.59Å; Y441-I444 HydrophobicContact CD1-CG1 3.83Å; Y441-I444 HydrophobicContact CD2-CG1 3.95Å; Y441-I444 HydrophobicContact CE1-CD1 3.56Å; Y441-I444 HydrophobicContact CE1-CG1 3.64Å; Y441-I444 HydrophobicContact CE2-CG1 3.8Å; Y441-I444 HydrophobicContact CG-CD1 4.13Å; Y441-I444 HydrophobicContact CG-CG1 3.97Å; Y441-I444 WeakPolarHBondContact O-CB 3.37Å; Y441-I444 WeakPolarHBondContact O-CG1 3.41Å; Y441-I444 PolarHBondContact O-N 2.73Å; Y441-I444 VanDerWaalsContact O-N 3.1Å
442	P	91.1	Very high	92.8	Very high	35 Å²	35	39.1 Å²	39.1	23%	0.227	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.6	-37.4	-166.6	-26.6	36	0	0	0	115.4	I444 F445 S446 A466	P442-I444 PolarHBondContact O-N 2.7Å; P442-F445 PolarHBondContact O-N 3.32Å; P442-S446 PolarHBondContact O-N 3.48Å; P442-A466 VanDerWaalsContact CG-O 3.26Å; P442-A466 WeakPolarHBondContact CG-O 3.48Å
443	E	91.9	Very high	92.5	Very high	97 Å²	97	42.2 Å²	42.2	45%	0.453	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.5	-26.4	-178.2	-62.3	84.1	165.8	0	0	111.9	D419 Y441 F445 S446	D419-E443 WeakPolarHBondContact CA-O 3.4Å; D419-E443 PolarHBondContact N-O 3.45Å; Y441-E443 VanDerWaalsContact C-N 3.3Å; Y441-E443 HydrophobicContact CD2-CB 3.99Å; Y441-E443 WeakPolarHBondContact CD2-OE2 3.35Å; Y441-E443 HydrophobicContact CE2-CB 4.06Å; Y441-E443 PolarHBondContact O-N 3.43Å; E443-F445 PolarHBondContact O-N 3.18Å; E443-S446 VanDerWaalsContact O-CB 3.29Å; E443-S446 WeakPolarHBondContact O-CB 3.47Å; E443-S446 PolarHBondContact O-N 3.03Å
444	I	93.6	Very high	92.7	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58	-49.7	177.7	-60.7	178.5	0	0	0	111.2	I416 F421 L440 Y441 P442	I416-I444 HydrophobicContact CB-CG2 4.34Å; I416-I444 HydrophobicContact CD1-CG2 4.41Å; I416-I444 HydrophobicContact CG2-CG2 3.92Å; F421-I444 HydrophobicContact CD2-CG2 4.28Å; F421-I444 VanDerWaalsContact CD2-O 3.24Å; F421-I444 WeakPolarHBondContact CD2-O 3.42Å; F421-I444 HydrophobicContact CE2-CG2 4.02Å; L440-I444 HydrophobicContact CD2-CD1 4Å; Y441-I444 HydrophobicContact CD1-CD1 3.59Å; Y441-I444 HydrophobicContact CD1-CG1 3.83Å; Y441-I444 HydrophobicContact CD2-CG1 3.95Å; Y441-I444 HydrophobicContact CE1-CD1 3.56Å; Y441-I444 HydrophobicContact CE1-CG1 3.64Å; Y441-I444 HydrophobicContact CE2-CG1 3.8Å; Y441-I444 HydrophobicContact CG-CD1 4.13Å; Y441-I444 HydrophobicContact CG-CG1 3.97Å; Y441-I444 WeakPolarHBondContact O-CB 3.37Å; Y441-I444 WeakPolarHBondContact O-CG1 3.41Å; Y441-I444 PolarHBondContact O-N 2.73Å; Y441-I444 VanDerWaalsContact O-N 3.1Å; P442-I444 PolarHBondContact O-N 2.7Å
445	F	93.7	Very high	93	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-97.7	15.2	-171.3	-55.9	-63.2	0	0	0	113.3	F421 L430 L432 L440 P442 E443 L448 L454 L456 T468 F469 S471 M472	F421-F445 HydrophobicContact CD2-CD1 4.26Å; F421-F445 HydrophobicContact CE2-CD1 4.42Å; F421-F445 HydrophobicContact CE2-CE1 4.42Å; L430-F445 HydrophobicContact CD2-CD1 4.35Å; L430-F445 HydrophobicContact CD2-CE1 4.19Å; L432-F445 HydrophobicContact CD1-CE1 4.15Å; L440-F445 HydrophobicContact CB-CE2 4.4Å; L440-F445 HydrophobicContact CD1-CE2 4.15Å; L440-F445 HydrophobicContact CD1-CZ 4.37Å; L440-F445 HydrophobicContact CD2-CE2 4.07Å; L440-F445 HydrophobicContact CD2-CZ 3.98Å; L440-F445 HydrophobicContact CG-CE2 4.45Å; P442-F445 PolarHBondContact O-N 3.32Å; E443-F445 PolarHBondContact O-N 3.18Å; F445-L448 HydrophobicContact CB-CD1 4.11Å; F445-L448 HydrophobicContact CD1-CD1 3.81Å; F445-L448 HydrophobicContact CG-CD1 4.44Å; F445-L448 WeakPolarHBondContact O-CB 3.4Å; F445-L448 PolarHBondContact O-N 2.89Å; F445-L454 HydrophobicContact CE1-CD1 4.22Å; F445-L454 HydrophobicContact CE1-CD2 4.19Å; F445-L454 HydrophobicContact CZ-CD2 4.18Å; F445-L456 HydrophobicContact CZ-CD1 4.27Å; F445-T468 HydrophobicContact CD2-CG2 3.75Å; F445-T468 HydrophobicContact CE2-CG2 3.84Å; F445-F469 HydrophobicContact CE2-CE1 4.33Å; F445-S471 WeakPolarHBondContact O-CB 3.41Å; F445-M472 HydrophobicContact CB-CE 3.69Å; F445-M472 HydrophobicContact CB-SD 3.98Å; F445-M472 HydrophobicContact CD1-CE 4.4Å; F445-M472 HydrophobicContact CD1-SD 4.49Å; F445-M472 HydrophobicContact CD2-CE 4.05Å; F445-M472 HydrophobicContact CG-CE 3.8Å; F445-M472 HydrophobicContact CG-SD 4.3Å
446	S	92.3	Very high	93.1	Very high	29 Å²	29	41 Å²	41	20%	0.203	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	137.6	167.6	-175.4	0	0	0	0	111.3	D419 F421 H422 P442 E443 L448	D419-S446 WeakPolarHBondContact OD1-CB 3.24Å; D419-S446 PolarHBondContact OD1-OG 3.4Å; F421-S446 CarbonylContact C-O 3.38Å; H422-S446 WeakPolarHBondContact CA-O 3.26Å; H422-S446 PolarHBondContact N-O 2.93Å; P442-S446 PolarHBondContact O-N 3.48Å; E443-S446 VanDerWaalsContact O-CB 3.29Å; E443-S446 WeakPolarHBondContact O-CB 3.47Å; E443-S446 PolarHBondContact O-N 3.03Å; S446-L448 VanDerWaalsContact C-N 3.3Å; S446-L448 PolarHBondContact O-N 2.87Å
447	G	88.1	Confident	92.8	Very high	7 Å²	7	37.7 Å²	37.7	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-9.4	177.5	0	0	0	0	0	117.7	H449	G447-H449 PolarHBondContact O-N 2.97Å
448	L	93.8	Very high	92.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.201	C	C	.	.			trans	-76.6	44.1	-174.3	-70.7	-177.7	0	0	0	115.3	F421 L424 L427 L430 F445 S446 N450 L451 M472	F421-L448 HydrophobicContact CB-CD1 3.95Å; F421-L448 HydrophobicContact CB-CD2 3.83Å; F421-L448 HydrophobicContact CB-CG 3.82Å; F421-L448 HydrophobicContact CD2-CD1 3.96Å; F421-L448 HydrophobicContact CG-CD1 4.22Å; L424-L448 HydrophobicContact CB-CD2 3.96Å; L427-L448 HydrophobicContact CB-CD2 4.01Å; L427-L448 HydrophobicContact CD2-CD2 3.69Å; L427-L448 HydrophobicContact CG-CD2 4.46Å; L430-L448 HydrophobicContact CD2-CD1 3.83Å; F445-L448 HydrophobicContact CB-CD1 4.11Å; F445-L448 HydrophobicContact CD1-CD1 3.81Å; F445-L448 HydrophobicContact CG-CD1 4.44Å; F445-L448 WeakPolarHBondContact O-CB 3.4Å; F445-L448 PolarHBondContact O-N 2.89Å; S446-L448 VanDerWaalsContact C-N 3.3Å; S446-L448 PolarHBondContact O-N 2.87Å; L448-N450 VanDerWaalsContact C-N 3.29Å; L448-N450 PolarHBondContact O-N 2.77Å; L448-N450 VanDerWaalsContact O-N 3.13Å; L448-L451 HydrophobicContact CB-CB 4.25Å; L448-L451 HydrophobicContact CD1-CD2 4.36Å; L448-L451 WeakPolarHBondContact O-CB 3.42Å; L448-L451 PolarHBondContact O-N 2.92Å; L448-M472 HydrophobicContact CB-CG 3.77Å; L448-M472 HydrophobicContact CB-SD 4.03Å; L448-M472 HydrophobicContact CD1-SD 4.18Å
449	H	91.4	Very high	92.6	Very high	93 Å²	93	41.2 Å²	41.2	43%	0.431	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.2	-166.8	-55.9	-37.2	0	0	0	115.4	G447 S471 N474	G447-H449 PolarHBondContact O-N 2.97Å; H449-S471 WeakPolarHBondContact CA-O 3.48Å; H449-S471 PolarHBondContact ND1-O 3.27Å; H449-N474 PolarHBondContact O-ND2 3.36Å
450	N	92.6	Very high	92.7	Very high	66 Å²	66	37.4 Å²	37.4	35%	0.353	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	5.2	178.2	-74.2	-64.7	0	0	0	114.2	T425 L427 L448 Q452	T425-N450 WeakPolarHBondContact O-CB 3.22Å; T425-N450 PolarHBondContact O-ND2 3.05Å; L427-N450 CarbonylContact O-C 3.57Å; L448-N450 VanDerWaalsContact C-N 3.29Å; L448-N450 PolarHBondContact O-N 2.77Å; L448-N450 VanDerWaalsContact O-N 3.13Å; N450-Q452 PolarHBondContact O-N 2.87Å
451	L	94.9	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.			trans	-66.2	132.2	-176.2	-158.1	79.8	0	0	0	111.2	L427 L430 L448 L454 M472 N474 L475	L427-L451 HydrophobicContact CB-CD1 4.34Å; L427-L451 HydrophobicContact CD2-CD1 3.96Å; L427-L451 HydrophobicContact CG-CD1 3.94Å; L427-L451 VanDerWaalsContact O-CA 3.24Å; L427-L451 WeakPolarHBondContact O-CA 3.2Å; L427-L451 PolarHBondContact O-N 3.27Å; L427-L451 VanDerWaalsContact O-N 3.09Å; L430-L451 HydrophobicContact CB-CD1 3.7Å; L430-L451 HydrophobicContact CB-CD2 4.11Å; L448-L451 HydrophobicContact CB-CB 4.25Å; L448-L451 HydrophobicContact CD1-CD2 4.36Å; L448-L451 WeakPolarHBondContact O-CB 3.42Å; L448-L451 PolarHBondContact O-N 2.92Å; L451-L454 HydrophobicContact CD2-CB 3.94Å; L451-L454 HydrophobicContact CD2-CD1 4.25Å; L451-L454 HydrophobicContact CD2-CD2 4.38Å; L451-L454 HydrophobicContact CD2-CG 4.42Å; L451-M472 HydrophobicContact CB-CG 4.33Å; L451-M472 HydrophobicContact CB-SD 4.11Å; L451-M472 HydrophobicContact CD2-SD 3.44Å; L451-M472 WeakPolarHBondContact CD2-SD 3.48Å; L451-M472 HydrophobicContact CG-SD 4.39Å; L451-N474 CarbonylContact O-C 3.44Å; L451-L475 HydrophobicContact CD2-CD1 4.22Å; L451-L475 VanDerWaalsContact O-CA 3.3Å; L451-L475 WeakPolarHBondContact O-CA 3.23Å; L451-L475 PolarHBondContact O-N 2.99Å; L451-L475 VanDerWaalsContact O-N 3.09Å
452	Q	89.2	Confident	92.9	Very high	40 Å²	40	38.7 Å²	38.7	19%	0.187	18%	0.182	C	C	.	.			trans	-116.7	-32.6	-177.5	-72.4	166.6	6.4	0	0	111.9	R428 N450 N474 Q476 L477	R428-Q452 PolarHBondContact O-N 3.26Å; N450-Q452 PolarHBondContact O-N 2.87Å; Q452-N474 HydrophobicContact CG-CB 4.39Å; Q452-Q476 PolarHBondContact O-N 3.12Å; Q452-L477 PolarHBondContact O-N 2.93Å
453	Y	90.1	Very high	93	Very high	64 Å²	64	41 Å²	41	25%	0.251	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.2	-176.2	-52.1	-95	0	0	0	110.5	R428 R429 L430 L477	R428-Y453 PolarHBondContact O-N 3.22Å; R429-Y453 HydrophobicContact CG-CD2 3.79Å; R429-Y453 HydrophobicContact CG-CG 4.34Å; L430-Y453 PolarHBondContact N-O 2.85Å; Y453-L477 HydrophobicContact CD1-CB 3.75Å; Y453-L477 HydrophobicContact CD1-CD1 4.16Å; Y453-L477 HydrophobicContact CD1-CG 4.36Å; Y453-L477 HydrophobicContact CE1-CB 4.36Å
454	L	95.8	Very high	93.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.1	178	-178.1	53	0	0	0	110.8	L430 F445 L451 L456 F469 M472 L475 L477 L478 Y479	L430-L454 HydrophobicContact CB-CD1 4.1Å; L430-L454 HydrophobicContact CD2-CD1 3.96Å; L430-L454 HydrophobicContact CG-CD1 3.96Å; F445-L454 HydrophobicContact CE1-CD1 4.22Å; F445-L454 HydrophobicContact CE1-CD2 4.19Å; F445-L454 HydrophobicContact CZ-CD2 4.18Å; L451-L454 HydrophobicContact CD2-CB 3.94Å; L451-L454 HydrophobicContact CD2-CD1 4.25Å; L451-L454 HydrophobicContact CD2-CD2 4.38Å; L451-L454 HydrophobicContact CD2-CG 4.42Å; L454-L456 HydrophobicContact CD1-CD1 4.08Å; L454-L456 HydrophobicContact CD1-CG 4.13Å; L454-L456 HydrophobicContact CD2-CD1 3.81Å; L454-L456 HydrophobicContact CG-CD1 3.71Å; L454-L456 HydrophobicContact CG-CG 4.15Å; L454-F469 HydrophobicContact CD2-CE1 4.43Å; L454-M472 HydrophobicContact CD2-CE 3.96Å; L454-M472 HydrophobicContact CD2-SD 4.35Å; L454-L475 HydrophobicContact CB-CD1 3.82Å; L454-L477 PolarHBondContact N-O 2.67Å; L454-L478 HydrophobicContact CB-CD1 4.19Å; L454-L478 HydrophobicContact CD2-CD1 4.01Å; L454-L478 HydrophobicContact CG-CD1 4.06Å; L454-Y479 PolarHBondContact O-N 3.03Å
455	Y	93.5	Very high	93.1	Very high	41 Å²	41	40.4 Å²	40.4	16%	0.161	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.8	-178.7	-61.5	-93.2	0	0	0	110.1	L430 Y431 L432 N433 E457 L477 Y479	L430-Y455 PolarHBondContact O-N 2.92Å; Y431-Y455 HydrophobicContact CD1-CD1 4.3Å; Y431-Y455 AromaticContact CD1-CD2 3.23Å; Y431-Y455 HydrophobicContact CD1-CD2 3.23Å; Y431-Y455 AromaticContact CD1-CE2 3.79Å; Y431-Y455 HydrophobicContact CD1-CE2 3.79Å; Y431-Y455 AromaticContact CD1-CG 3.52Å; Y431-Y455 HydrophobicContact CD1-CG 3.52Å; Y431-Y455 HydrophobicContact CD2-CD2 4.43Å; Y431-Y455 HydrophobicContact CE1-CD1 4.33Å; Y431-Y455 AromaticContact CE1-CD2 3.28Å; Y431-Y455 HydrophobicContact CE1-CD2 3.28Å; Y431-Y455 HydrophobicContact CE1-CE1 4.34Å; Y431-Y455 AromaticContact CE1-CE2 3.27Å; Y431-Y455 HydrophobicContact CE1-CE2 3.27Å; Y431-Y455 AromaticContact CE1-CG 3.83Å; Y431-Y455 HydrophobicContact CE1-CG 3.83Å; Y431-Y455 AromaticContact CE1-CZ 3.84Å; Y431-Y455 HydrophobicContact CE2-CD2 4.47Å; Y431-Y455 HydrophobicContact CE2-CE2 4.47Å; Y431-Y455 AromaticContact CG-CD2 3.85Å; Y431-Y455 HydrophobicContact CG-CD2 3.85Å; Y431-Y455 HydrophobicContact CG-CG 4.33Å; Y431-Y455 AromaticContact CZ-CD2 3.93Å; Y431-Y455 AromaticContact CZ-CE2 3.67Å; L432-Y455 CarbonylContact C-O 3.09Å; L432-Y455 WeakPolarHBondContact CA-O 3.14Å; L432-Y455 PolarHBondContact N-O 3.26Å; N433-Y455 PolarHBondContact N-O 3.27Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.32Å; Y455-E457 WeakPolarHBondContact CB-OE2 3.06Å; Y455-L477 HydrophobicContact CD1-CD2 4.35Å; Y455-L477 HydrophobicContact CE1-CD2 3.84Å; Y455-L477 HydrophobicContact CE2-CD2 4.39Å; Y455-Y479 AromaticContact CD1-CD2 3.77Å; Y455-Y479 HydrophobicContact CD1-CD2 3.77Å; Y455-Y479 HydrophobicContact CD1-CE2 4.41Å; Y455-Y479 HydrophobicContact CD1-CG 4.31Å; Y455-Y479 AromaticContact CE1-CD2 3.84Å; Y455-Y479 HydrophobicContact CE1-CD2 3.84Å; Y455-Y479 HydrophobicContact CE1-CE2 4.03Å
456	L	95.9	Very high	93	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.			trans	-130.2	10.8	-176.9	-74.6	158.9	0	0	0	111.8	L432 I437 L440 F445 L454 N459 I461 L478 Y479 L480 N483	L432-L456 HydrophobicContact CB-CD2 3.75Å; L432-L456 HydrophobicContact CD1-CD2 4.01Å; I437-L456 HydrophobicContact CD1-CD2 4.29Å; L440-L456 HydrophobicContact CD1-CD1 3.77Å; L440-L456 HydrophobicContact CD1-CD2 4.48Å; L440-L456 HydrophobicContact CD2-CD2 4.47Å; F445-L456 HydrophobicContact CZ-CD1 4.27Å; L454-L456 HydrophobicContact CD1-CD1 4.08Å; L454-L456 HydrophobicContact CD1-CG 4.13Å; L454-L456 HydrophobicContact CD2-CD1 3.81Å; L454-L456 HydrophobicContact CG-CD1 3.71Å; L454-L456 HydrophobicContact CG-CG 4.15Å; L456-N459 PolarHBondContact O-ND2 3.25Å; L456-N459 VanDerWaalsContact O-ND2 3.09Å; L456-I461 HydrophobicContact CB-CD1 4.14Å; L456-I461 HydrophobicContact CD2-CD1 4.3Å; L456-L478 HydrophobicContact CD1-CD1 4.25Å; L456-Y479 CarbonylContact C-O 3.57Å; L456-Y479 WeakPolarHBondContact CA-O 3.25Å; L456-Y479 WeakPolarHBondContact CB-O 3.48Å; L456-Y479 PolarHBondContact N-O 3.18Å; L456-L480 HydrophobicContact CB-CD2 3.82Å; L456-L480 HydrophobicContact CD1-CD2 3.94Å; L456-N483 PolarHBondContact O-ND2 3.44Å
457	E	90.1	Very high	92.8	Very high	18 Å²	18	42.9 Å²	42.9	8%	0.084	21%	0.214	C	C	.	.			trans	-64.9	156.1	179.6	68.5	-78.1	178.7	0	0	113.5	N433 G434 Y455 N459 Y479 N481	N433-E457 CarbonylContact C-O 3.11Å; N433-E457 WeakPolarHBondContact CA-O 3.15Å; N433-E457 HydrophobicContact CB-CG 3.92Å; N433-E457 WeakPolarHBondContact CB-O 3.35Å; N433-E457 VanDerWaalsContact CB-OE1 3.23Å; N433-E457 WeakPolarHBondContact CB-OE1 3.37Å; N433-E457 PolarHBondContact ND2-OE1 3.31Å; G434-E457 PolarHBondContact N-O 3.4Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.32Å; Y455-E457 WeakPolarHBondContact CB-OE2 3.06Å; E457-N459 VanDerWaalsContact C-N 3.34Å; E457-N459 PolarHBondContact O-N 2.69Å; E457-N459 PolarHBondContact O-ND2 2.96Å; E457-Y479 PolarHBondContact N-O 3.09Å; E457-Y479 WeakPolarHBondContact OE2-CB 3.42Å; E457-N481 CarbonylContact C-O 3.6Å; E457-N481 WeakPolarHBondContact CA-O 3.34Å; E457-N481 WeakPolarHBondContact CB-ND2 3.35Å; E457-N481 VanDerWaalsContact CB-O 3.3Å; E457-N481 WeakPolarHBondContact CB-O 3.33Å; E457-N481 WeakPolarHBondContact CB-OD1 3.02Å
458	Y	91.3	Very high	93.1	Very high	150 Å²	150	42.6 Å²	42.6	59%	0.588	21%	0.211	S	C	*	.	S	Bend	trans	53.5	47.8	-175.3	-55.2	-78.8	0	0	0	113	G434 N481 N482	G434-Y458 VanDerWaalsContact CA-O 3.25Å; G434-Y458 WeakPolarHBondContact CA-O 2.88Å; G434-Y458 PolarHBondContact N-O 3.35Å; Y458-N481 PolarHBondContact N-O 2.99Å; Y458-N482 WeakPolarHBondContact CA-O 3.47Å; Y458-N482 HydrophobicContact CD1-CB 3.56Å; Y458-N482 HydrophobicContact CE1-CB 3.81Å; Y458-N482 VanDerWaalsContact CE1-CG 3.46Å; Y458-N482 WeakPolarHBondContact CE1-ND2 3.34Å; Y458-N482 HydrophobicContact CG-CB 4.19Å; Y458-N482 PolarHBondContact N-O 3.04Å; Y458-N482 PolarHBondContact OH-ND2 3.45Å
459	N	94.1	Very high	93.1	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.032	21%	0.211	C	C	.	.	S	Bend	trans	-114.6	-173.3	169.7	-87.8	-88.3	0	0	0	110.2	L432 N435 Q436 I437 L456 E457 I461 N483	L432-N459 PolarHBondContact O-ND2 3.42Å; N435-N459 WeakPolarHBondContact CA-OD1 3.21Å; N435-N459 WeakPolarHBondContact CB-OD1 3.12Å; N435-N459 PolarHBondContact O-OD1 3.41Å; Q436-N459 PolarHBondContact N-OD1 3.28Å; I437-N459 WeakPolarHBondContact CB-OD1 3.31Å; I437-N459 WeakPolarHBondContact CG1-OD1 3.39Å; I437-N459 PolarHBondContact N-OD1 3.06Å; I437-N459 VanDerWaalsContact N-OD1 3.14Å; L456-N459 PolarHBondContact O-ND2 3.25Å; L456-N459 VanDerWaalsContact O-ND2 3.09Å; E457-N459 VanDerWaalsContact C-N 3.34Å; E457-N459 PolarHBondContact O-N 2.69Å; E457-N459 PolarHBondContact O-ND2 2.96Å; N459-I461 HydrophobicContact CB-CD1 4.07Å; N459-I461 HydrophobicContact CB-CG1 3.9Å; N459-N483 WeakPolarHBondContact CA-OD1 3.33Å; N459-N483 WeakPolarHBondContact CB-OD1 3.49Å; N459-N483 PolarHBondContact O-OD1 2.76Å
460	L	95.9	Very high	93.1	Very high	72 Å²	72	42.2 Å²	42.2	38%	0.377	21%	0.212	S	C	.	.			trans	-109.1	25.8	179.6	-60.3	179	0	0	0	112.1	Q436 I437 E438 K462 L484	Q436-L460 HydrophobicContact CB-CD1 4.26Å; I437-L460 CarbonylContact O-C 3.32Å; I437-L460 WeakPolarHBondContact O-CA 3.47Å; I437-L460 PolarHBondContact O-N 3.09Å; I437-L460 VanDerWaalsContact O-N 3.17Å; E438-L460 HydrophobicContact CG-CB 4.47Å; L460-K462 WeakPolarHBondContact O-CG 3.43Å; L460-K462 PolarHBondContact O-N 3.39Å; L460-K462 VanDerWaalsContact O-N 3.16Å; L460-L484 HydrophobicContact CB-CD1 4.43Å; L460-L484 HydrophobicContact CD2-CD1 4.38Å
461	I	97.3	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.			trans	-68.5	116.6	-167.8	-52.8	161.9	0	0	0	109.7	I437 E438 L440 L456 N459 I464 L480 N483 L484 L485	I437-I461 HydrophobicContact CB-CG1 4.41Å; I437-I461 HydrophobicContact CG2-CG1 4.33Å; I437-I461 WeakPolarHBondContact O-CA 3.36Å; I437-I461 WeakPolarHBondContact O-CG1 3.26Å; I437-I461 PolarHBondContact O-N 3.04Å; E438-I461 WeakPolarHBondContact O-CA 3.43Å; L440-I461 HydrophobicContact CD1-CD1 3.95Å; L440-I461 HydrophobicContact CD1-CG2 4.49Å; L440-I461 HydrophobicContact CG-CD1 4.28Å; L440-I461 HydrophobicContact CG-CG2 4.23Å; L456-I461 HydrophobicContact CB-CD1 4.14Å; L456-I461 HydrophobicContact CD2-CD1 4.3Å; N459-I461 HydrophobicContact CB-CD1 4.07Å; N459-I461 HydrophobicContact CB-CG1 3.9Å; I461-I464 HydrophobicContact CG2-CG1 4.04Å; I461-L480 HydrophobicContact CD1-CD2 3.99Å; I461-N483 HydrophobicContact CB-CB 4.42Å; I461-N483 WeakPolarHBondContact CB-OD1 3.29Å; I461-N483 WeakPolarHBondContact CD1-OD1 3.46Å; I461-N483 VanDerWaalsContact CG1-OD1 3.26Å; I461-N483 WeakPolarHBondContact CG1-OD1 3.23Å; I461-N483 PolarHBondContact N-OD1 2.94Å; I461-L484 CarbonylContact O-C 3.55Å; I461-L484 VanDerWaalsContact O-CA 3.28Å; I461-L484 WeakPolarHBondContact O-CA 3.2Å; I461-L484 PolarHBondContact O-N 2.9Å; I461-L485 HydrophobicContact CB-CD2 4.27Å; I461-L485 HydrophobicContact CG2-CD2 3.7Å; I461-L485 PolarHBondContact O-N 3.1Å; I461-L485 VanDerWaalsContact O-N 3.11Å
462	K	94.4	Very high	92.8	Very high	92 Å²	92	40.7 Å²	40.7	40%	0.4	21%	0.206	S	C	.	.			trans	-95.4	-28.8	-179.7	-64.9	157.8	-162.9	177.8	0	112.2	E438 L460 L484	E438-K462 PolarHBondContact O-N 3.11Å; E438-K462 WeakPolarHBondContact OE1-CE 3.03Å; E438-K462 IonicContact OE1-NZ 3.15Å; E438-K462 PolarHBondContact OE1-NZ 3.43Å; E438-K462 IonicContact OE2-NZ 3.92Å; E438-K462 PolarHBondContact OE2-NZ 3.35Å; L460-K462 WeakPolarHBondContact O-CG 3.43Å; L460-K462 PolarHBondContact O-N 3.39Å; L460-K462 VanDerWaalsContact O-N 3.16Å; K462-L484 HydrophobicContact CG-CB 3.99Å; K462-L484 HydrophobicContact CG-CD1 4.19Å
463	E	92.9	Very high	92.9	Very high	83 Å²	83	41.9 Å²	41.9	39%	0.388	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	138.7	-164.6	-178.2	172.7	-149.8	0	0	110.7	R439 L440 L465	R439-E463 WeakPolarHBondContact CA-O 3.26Å; R439-E463 HydrophobicContact CG-CB 4.3Å; R439-E463 IonicContact CZ-OE2 3.19Å; R439-E463 IonicContact NE-OE2 3.56Å; R439-E463 PolarHBondContact NE-OE2 3.07Å; R439-E463 IonicContact NH2-OE2 2.93Å; R439-E463 PolarHBondContact NH2-OE2 2.82Å; L440-E463 PolarHBondContact N-O 3.47Å; L440-E463 VanDerWaalsContact N-O 3.11Å; E463-L465 HydrophobicContact CG-CD2 4.34Å
464	I	95.5	Very high	93	Very high	8 Å²	8	42 Å²	42	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.2	174	-60.8	174.7	0	0	0	105.9	L440 I461 T468 F469 L480 L485 L488 P489 I492	L440-I464 HydrophobicContact CB-CG1 4.28Å; L440-I464 HydrophobicContact CB-CG2 4.42Å; L440-I464 HydrophobicContact CD1-CD1 4.34Å; L440-I464 HydrophobicContact CD1-CG1 4.22Å; I461-I464 HydrophobicContact CG2-CG1 4.04Å; I464-T468 HydrophobicContact CG2-CG2 4Å; I464-F469 HydrophobicContact CD1-CZ 4.29Å; I464-F469 HydrophobicContact CG2-CE2 4.46Å; I464-F469 HydrophobicContact CG2-CZ 4.29Å; I464-L480 HydrophobicContact CD1-CD1 3.99Å; I464-L480 HydrophobicContact CD1-CD2 4.26Å; I464-L485 HydrophobicContact CD1-CD1 3.99Å; I464-L485 HydrophobicContact CD1-CD2 3.8Å; I464-L485 HydrophobicContact CG1-CD2 3.79Å; I464-L488 HydrophobicContact CD1-CD2 4.15Å; I464-P489 WeakPolarHBondContact O-CD 3.33Å; I464-P489 WeakPolarHBondContact O-CG 3.13Å; I464-I492 HydrophobicContact CG2-CD1 3.86Å; I464-I492 HydrophobicContact CG2-CG1 4.34Å
465	L	92.9	Very high	92.9	Very high	79 Å²	79	42 Å²	42	41%	0.414	22%	0.222	S	C	.	.			trans	-81.6	157	179.6	-60.6	-173.8	0	0	0	112	L440 E463 T468 I492	L440-L465 PolarHBondContact O-N 3.49Å; E463-L465 HydrophobicContact CG-CD2 4.34Å; L465-T468 WeakPolarHBondContact O-CB 3.42Å; L465-T468 PolarHBondContact O-N 3.24Å; L465-T468 PolarHBondContact O-OG1 2.78Å; L465-I492 WeakPolarHBondContact O-CD1 3.35Å
466	A	90.5	Very high	92.7	Very high	61 Å²	61	44 Å²	44	50%	0.504	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	143.9	172.8	0	0	0	0	0	110.3	P442 P489	P442-A466 VanDerWaalsContact CG-O 3.26Å; P442-A466 WeakPolarHBondContact CG-O 3.48Å; A466-P489 HydrophobicContact CB-CB 4.08Å; A466-P489 HydrophobicContact CB-CG 4.39Å
467	G	89.8	Confident	92.4	Very high	20 Å²	20	44.5 Å²	44.5	21%	0.206	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-3.2	-177.1	0	0	0	0	0	115.5	F469 D470	G467-F469 PolarHBondContact O-N 3.24Å; G467-F469 VanDerWaalsContact O-N 3.16Å; G467-D470 VanDerWaalsContact CA-OD1 3.23Å; G467-D470 WeakPolarHBondContact CA-OD1 3.49Å; G467-D470 PolarHBondContact O-N 2.86Å
468	T	93.8	Very high	92.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.5	-168.2	-62.3	0	0	0	0	114.4	L440 F445 I464 L465	L440-T468 HydrophobicContact CB-CG2 3.84Å; F445-T468 HydrophobicContact CD2-CG2 3.75Å; F445-T468 HydrophobicContact CE2-CG2 3.84Å; I464-T468 HydrophobicContact CG2-CG2 4Å; L465-T468 WeakPolarHBondContact O-CB 3.42Å; L465-T468 PolarHBondContact O-N 3.24Å; L465-T468 PolarHBondContact O-OG1 2.78Å
469	F	93.7	Very high	92.8	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-4.1	-177.4	-53.9	-44.4	0	0	0	114.2	F445 L454 I464 G467 S471 M472 L478 L480 I492 F493	F445-F469 HydrophobicContact CE2-CE1 4.33Å; L454-F469 HydrophobicContact CD2-CE1 4.43Å; I464-F469 HydrophobicContact CD1-CZ 4.29Å; I464-F469 HydrophobicContact CG2-CE2 4.46Å; I464-F469 HydrophobicContact CG2-CZ 4.29Å; G467-F469 PolarHBondContact O-N 3.24Å; G467-F469 VanDerWaalsContact O-N 3.16Å; F469-S471 PolarHBondContact O-N 2.97Å; F469-S471 VanDerWaalsContact O-N 3.13Å; F469-M472 HydrophobicContact CB-CE 4.23Å; F469-M472 HydrophobicContact CD1-CE 3.6Å; F469-M472 HydrophobicContact CG-CE 4.36Å; F469-M472 PolarHBondContact O-N 3.02Å; F469-L478 HydrophobicContact CD2-CD2 4.16Å; F469-L478 HydrophobicContact CE1-CD2 4.42Å; F469-L478 HydrophobicContact CE2-CD2 3.64Å; F469-L478 HydrophobicContact CZ-CD1 4.36Å; F469-L478 HydrophobicContact CZ-CD2 3.77Å; F469-L480 HydrophobicContact CZ-CD1 4.49Å; F469-I492 HydrophobicContact CD2-CD1 3.87Å; F469-I492 HydrophobicContact CD2-CG1 3.79Å; F469-I492 WeakPolarHBondContact CD2-O 3.49Å; F469-I492 HydrophobicContact CE2-CD1 4.09Å; F469-I492 HydrophobicContact CE2-CG1 3.85Å; F469-F493 AromaticContact CD2-CD1 4Å; F469-F493 HydrophobicContact CD2-CD1 4Å; F469-F493 AromaticContact CD2-CE1 3.93Å; F469-F493 HydrophobicContact CD2-CE1 3.93Å; F469-F493 HydrophobicContact CE2-CD1 4.42Å; F469-F493 AromaticContact CE2-CE1 3.88Å; F469-F493 HydrophobicContact CE2-CE1 3.88Å
470	D	90.6	Very high	92.9	Very high	85 Å²	85	39.1 Å²	39.1	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	-175	-61.4	28.3	0	0	0	113.2	G467 M472	G467-D470 VanDerWaalsContact CA-OD1 3.23Å; G467-D470 WeakPolarHBondContact CA-OD1 3.49Å; G467-D470 PolarHBondContact O-N 2.86Å; D470-M472 PolarHBondContact O-N 3.48Å
471	S	88.7	Confident	92.7	Very high	34 Å²	34	36.4 Å²	36.4	24%	0.238	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.9	177	-69.3	0	0	0	0	114.4	F445 H449 F469 P473	F445-S471 WeakPolarHBondContact O-CB 3.41Å; H449-S471 WeakPolarHBondContact CA-O 3.48Å; H449-S471 PolarHBondContact ND1-O 3.27Å; F469-S471 PolarHBondContact O-N 2.97Å; F469-S471 VanDerWaalsContact O-N 3.13Å; S471-P473 VanDerWaalsContact C-CD 3.41Å; S471-P473 WeakPolarHBondContact O-CD 3.43Å
472	M	93.7	Very high	92.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.			trans	-120.2	64.8	-169.1	-59.2	-176.7	-76.6	0	0	112.8	F445 L448 L451 L454 F469 D470 N474 L475	F445-M472 HydrophobicContact CB-CE 3.69Å; F445-M472 HydrophobicContact CB-SD 3.98Å; F445-M472 HydrophobicContact CD1-CE 4.4Å; F445-M472 HydrophobicContact CD1-SD 4.49Å; F445-M472 HydrophobicContact CD2-CE 4.05Å; F445-M472 HydrophobicContact CG-CE 3.8Å; F445-M472 HydrophobicContact CG-SD 4.3Å; L448-M472 HydrophobicContact CB-CG 3.77Å; L448-M472 HydrophobicContact CB-SD 4.03Å; L448-M472 HydrophobicContact CD1-SD 4.18Å; L451-M472 HydrophobicContact CB-CG 4.33Å; L451-M472 HydrophobicContact CB-SD 4.11Å; L451-M472 HydrophobicContact CD2-SD 3.44Å; L451-M472 WeakPolarHBondContact CD2-SD 3.48Å; L451-M472 HydrophobicContact CG-SD 4.39Å; L454-M472 HydrophobicContact CD2-CE 3.96Å; L454-M472 HydrophobicContact CD2-SD 4.35Å; F469-M472 HydrophobicContact CB-CE 4.23Å; F469-M472 HydrophobicContact CD1-CE 3.6Å; F469-M472 HydrophobicContact CG-CE 4.36Å; F469-M472 PolarHBondContact O-N 3.02Å; D470-M472 PolarHBondContact O-N 3.48Å; M472-N474 PolarHBondContact O-N 3.09Å; M472-L475 HydrophobicContact CB-CB 4.14Å; M472-L475 HydrophobicContact CE-CD2 4.33Å; M472-L475 VanDerWaalsContact O-CB 3.32Å; M472-L475 WeakPolarHBondContact O-CB 3.45Å; M472-L475 PolarHBondContact O-N 3.43Å; M472-L475 VanDerWaalsContact O-N 3.09Å
473	P	91.3	Very high	92.5	Very high	65 Å²	65	34.1 Å²	34.1	42%	0.422	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-1.1	-174.2	30.9	-38.5	0	0	0	115.1	S471 G495 P497	S471-P473 VanDerWaalsContact C-CD 3.41Å; S471-P473 WeakPolarHBondContact O-CD 3.43Å; P473-G495 WeakPolarHBondContact CA-O 3.24Å; P473-P497 WeakPolarHBondContact O-CD 3.3Å; P473-P497 WeakPolarHBondContact O-CG 3.43Å
474	N	91.6	Very high	92.6	Very high	65 Å²	65	33.2 Å²	33.2	35%	0.348	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	4.8	175.6	-72.2	-77.2	0	0	0	113.2	H449 L451 Q452 M472 Q476	H449-N474 PolarHBondContact O-ND2 3.36Å; L451-N474 CarbonylContact O-C 3.44Å; Q452-N474 HydrophobicContact CG-CB 4.39Å; M472-N474 PolarHBondContact O-N 3.09Å; N474-Q476 PolarHBondContact O-N 2.95Å
475	L	94	Very high	92.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.			trans	-68.7	119.2	-173.1	-171.4	67	0	0	0	111.6	L451 L454 M472 P497 L498	L451-L475 HydrophobicContact CD2-CD1 4.22Å; L451-L475 VanDerWaalsContact O-CA 3.3Å; L451-L475 WeakPolarHBondContact O-CA 3.23Å; L451-L475 PolarHBondContact O-N 2.99Å; L451-L475 VanDerWaalsContact O-N 3.09Å; L454-L475 HydrophobicContact CB-CD1 3.82Å; M472-L475 HydrophobicContact CB-CB 4.14Å; M472-L475 HydrophobicContact CE-CD2 4.33Å; M472-L475 VanDerWaalsContact O-CB 3.32Å; M472-L475 WeakPolarHBondContact O-CB 3.45Å; M472-L475 PolarHBondContact O-N 3.43Å; M472-L475 VanDerWaalsContact O-N 3.09Å; L475-P497 CarbonylContact O-C 3.55Å; L475-P497 VanDerWaalsContact O-C 3.27Å; L475-P497 WeakPolarHBondContact O-CD 3.41Å; L475-L498 HydrophobicContact CB-CD2 4.44Å; L475-L498 HydrophobicContact CD2-CD2 3.95Å; L475-L498 HydrophobicContact CG-CD2 3.78Å; L475-L498 PolarHBondContact O-N 2.81Å
476	Q	88.4	Confident	92.7	Very high	84 Å²	84	35.5 Å²	35.5	39%	0.393	20%	0.195	S	C	.	.			trans	-109.9	-33.2	-176.5	-70.8	173	7.3	0	0	112.9	Q452 N474 A499 R500	Q452-Q476 PolarHBondContact O-N 3.12Å; N474-Q476 PolarHBondContact O-N 2.95Å; Q476-A499 PolarHBondContact O-N 3.02Å; Q476-R500 PolarHBondContact O-N 3.27Å
477	L	89.9	Confident	92.8	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.7	-178.5	-176.1	150.3	0	0	0	110.5	Q452 Y453 L454 Y455 Y479 R500	Q452-L477 PolarHBondContact O-N 2.93Å; Y453-L477 HydrophobicContact CD1-CB 3.75Å; Y453-L477 HydrophobicContact CD1-CD1 4.16Å; Y453-L477 HydrophobicContact CD1-CG 4.36Å; Y453-L477 HydrophobicContact CE1-CB 4.36Å; L454-L477 PolarHBondContact N-O 2.67Å; Y455-L477 HydrophobicContact CD1-CD2 4.35Å; Y455-L477 HydrophobicContact CE1-CD2 3.84Å; Y455-L477 HydrophobicContact CE2-CD2 4.39Å; L477-Y479 HydrophobicContact CD1-CE1 3.86Å; L477-Y479 HydrophobicContact CD2-CD1 3.63Å; L477-Y479 HydrophobicContact CD2-CD2 4.35Å; L477-Y479 HydrophobicContact CD2-CE1 3.8Å; L477-Y479 HydrophobicContact CD2-CE2 4.5Å; L477-Y479 HydrophobicContact CD2-CG 3.93Å; L477-Y479 HydrophobicContact CG-CD1 4Å; L477-Y479 HydrophobicContact CG-CE1 3.78Å; L477-R500 WeakPolarHBondContact CA-O 3.36Å; L477-R500 HydrophobicContact CD1-CB 4.37Å; L477-R500 HydrophobicContact CG-CB 4.29Å
478	L	95.9	Very high	93	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	110.8	176.3	176.4	58.8	0	0	0	110.2	L454 L456 F469 L480 F493 L498 R500 L501 N502	L454-L478 HydrophobicContact CB-CD1 4.19Å; L454-L478 HydrophobicContact CD2-CD1 4.01Å; L454-L478 HydrophobicContact CG-CD1 4.06Å; L456-L478 HydrophobicContact CD1-CD1 4.25Å; F469-L478 HydrophobicContact CD2-CD2 4.16Å; F469-L478 HydrophobicContact CE1-CD2 4.42Å; F469-L478 HydrophobicContact CE2-CD2 3.64Å; F469-L478 HydrophobicContact CZ-CD1 4.36Å; F469-L478 HydrophobicContact CZ-CD2 3.77Å; L478-L480 HydrophobicContact CD1-CD1 4.15Å; L478-L480 HydrophobicContact CD1-CG 4.02Å; L478-L480 HydrophobicContact CD2-CD1 3.87Å; L478-L480 HydrophobicContact CG-CD1 3.91Å; L478-L480 HydrophobicContact CG-CG 4.11Å; L478-F493 HydrophobicContact CD2-CE1 3.88Å; L478-L498 HydrophobicContact CB-CD1 4.4Å; L478-L498 HydrophobicContact CB-CD2 3.71Å; L478-L498 HydrophobicContact CD2-CD1 4.14Å; L478-R500 PolarHBondContact N-O 2.67Å; L478-L501 HydrophobicContact CB-CD1 4.28Å; L478-L501 HydrophobicContact CD2-CD1 4.05Å; L478-L501 HydrophobicContact CG-CD1 4.17Å; L478-N502 PolarHBondContact O-N 2.91Å
479	Y	93.2	Very high	92.9	Very high	61 Å²	61	36.4 Å²	36.4	24%	0.239	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.3	175.3	-77	7.4	0	0	0	110.4	L454 Y455 L456 E457 L477 N502	L454-Y479 PolarHBondContact O-N 3.03Å; Y455-Y479 AromaticContact CD1-CD2 3.77Å; Y455-Y479 HydrophobicContact CD1-CD2 3.77Å; Y455-Y479 HydrophobicContact CD1-CE2 4.41Å; Y455-Y479 HydrophobicContact CD1-CG 4.31Å; Y455-Y479 AromaticContact CE1-CD2 3.84Å; Y455-Y479 HydrophobicContact CE1-CD2 3.84Å; Y455-Y479 HydrophobicContact CE1-CE2 4.03Å; L456-Y479 CarbonylContact C-O 3.57Å; L456-Y479 WeakPolarHBondContact CA-O 3.25Å; L456-Y479 WeakPolarHBondContact CB-O 3.48Å; L456-Y479 PolarHBondContact N-O 3.18Å; E457-Y479 PolarHBondContact N-O 3.09Å; E457-Y479 WeakPolarHBondContact OE2-CB 3.42Å; L477-Y479 HydrophobicContact CD1-CE1 3.86Å; L477-Y479 HydrophobicContact CD2-CD1 3.63Å; L477-Y479 HydrophobicContact CD2-CD2 4.35Å; L477-Y479 HydrophobicContact CD2-CE1 3.8Å; L477-Y479 HydrophobicContact CD2-CE2 4.5Å; L477-Y479 HydrophobicContact CD2-CG 3.93Å; L477-Y479 HydrophobicContact CG-CD1 4Å; L477-Y479 HydrophobicContact CG-CE1 3.78Å; Y479-N502 HydrophobicContact CD1-CB 3.54Å; Y479-N502 HydrophobicContact CE1-CB 3.98Å; Y479-N502 HydrophobicContact CG-CB 4.11Å
480	L	96.1	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.			trans	-127.1	15.3	-179.3	-76.7	167.2	0	0	0	111.3	L456 I461 I464 F469 L478 N483 L485 N502 L503 N506	L456-L480 HydrophobicContact CB-CD2 3.82Å; L456-L480 HydrophobicContact CD1-CD2 3.94Å; I461-L480 HydrophobicContact CD1-CD2 3.99Å; I464-L480 HydrophobicContact CD1-CD1 3.99Å; I464-L480 HydrophobicContact CD1-CD2 4.26Å; F469-L480 HydrophobicContact CZ-CD1 4.49Å; L478-L480 HydrophobicContact CD1-CD1 4.15Å; L478-L480 HydrophobicContact CD1-CG 4.02Å; L478-L480 HydrophobicContact CD2-CD1 3.87Å; L478-L480 HydrophobicContact CG-CD1 3.91Å; L478-L480 HydrophobicContact CG-CG 4.11Å; L480-N483 WeakPolarHBondContact O-CB 3.21Å; L480-N483 PolarHBondContact O-ND2 3.13Å; L480-L485 HydrophobicContact CB-CD1 4.23Å; L480-L485 HydrophobicContact CD1-CD1 4.25Å; L480-L485 HydrophobicContact CD2-CD1 4.48Å; L480-N502 CarbonylContact C-O 3.49Å; L480-N502 WeakPolarHBondContact CA-O 3.45Å; L480-N502 PolarHBondContact N-O 3.11Å; L480-L503 HydrophobicContact CB-CD2 3.99Å; L480-L503 HydrophobicContact CD1-CD2 4.03Å; L480-N506 PolarHBondContact O-ND2 2.94Å
481	N	92.6	Very high	92.6	Very high	16 Å²	16	43.2 Å²	43.2	9%	0.086	22%	0.222	C	C	.	.			trans	-71.5	154.9	-175.8	56.1	-81.3	0	0	0	113.6	E457 Y458 N483 N502 R504	E457-N481 CarbonylContact C-O 3.6Å; E457-N481 WeakPolarHBondContact CA-O 3.34Å; E457-N481 WeakPolarHBondContact CB-ND2 3.35Å; E457-N481 VanDerWaalsContact CB-O 3.3Å; E457-N481 WeakPolarHBondContact CB-O 3.33Å; E457-N481 WeakPolarHBondContact CB-OD1 3.02Å; Y458-N481 PolarHBondContact N-O 2.99Å; N481-N483 PolarHBondContact O-ND2 3.01Å; N481-N502 WeakPolarHBondContact CB-OD1 3.22Å; N481-N502 PolarHBondContact N-O 3.32Å; N481-N502 PolarHBondContact OD1-ND2 2.8Å; N481-N502 VanDerWaalsContact OD1-ND2 3.13Å; N481-R504 CarbonylContact C-O 3.53Å; N481-R504 WeakPolarHBondContact CA-O 3.35Å; N481-R504 HydrophobicContact CB-CB 3.99Å; N481-R504 WeakPolarHBondContact CB-O 3.43Å
482	N	90.9	Very high	92.8	Very high	40 Å²	40	41.6 Å²	41.6	21%	0.214	21%	0.211	C	C	.	.	S	Bend	trans	54.9	56.2	-173.1	-49.3	-67.4	0	0	0	111.6	Y458 R504 N505	Y458-N482 WeakPolarHBondContact CA-O 3.47Å; Y458-N482 HydrophobicContact CD1-CB 3.56Å; Y458-N482 HydrophobicContact CE1-CB 3.81Å; Y458-N482 VanDerWaalsContact CE1-CG 3.46Å; Y458-N482 WeakPolarHBondContact CE1-ND2 3.34Å; Y458-N482 HydrophobicContact CG-CB 4.19Å; Y458-N482 PolarHBondContact N-O 3.04Å; Y458-N482 PolarHBondContact OH-ND2 3.45Å; N482-R504 PolarHBondContact N-O 2.64Å; N482-N505 WeakPolarHBondContact CA-O 3.07Å; N482-N505 PolarHBondContact N-O 2.85Å; N482-N505 VanDerWaalsContact OD1-CB 3.24Å; N482-N505 WeakPolarHBondContact OD1-CB 3.09Å; N482-N505 PolarHBondContact OD1-ND2 3.38Å
483	N	95.6	Very high	92.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	-128.4	-170.4	174.8	-88	-78.4	0	0	0	109.6	L456 N459 I461 L480 N481 L485 N505 N506	L456-N483 PolarHBondContact O-ND2 3.44Å; N459-N483 WeakPolarHBondContact CA-OD1 3.33Å; N459-N483 WeakPolarHBondContact CB-OD1 3.49Å; N459-N483 PolarHBondContact O-OD1 2.76Å; I461-N483 HydrophobicContact CB-CB 4.42Å; I461-N483 WeakPolarHBondContact CB-OD1 3.29Å; I461-N483 WeakPolarHBondContact CD1-OD1 3.46Å; I461-N483 VanDerWaalsContact CG1-OD1 3.26Å; I461-N483 WeakPolarHBondContact CG1-OD1 3.23Å; I461-N483 PolarHBondContact N-OD1 2.94Å; L480-N483 WeakPolarHBondContact O-CB 3.21Å; L480-N483 PolarHBondContact O-ND2 3.13Å; N481-N483 PolarHBondContact O-ND2 3.01Å; N483-L485 HydrophobicContact CB-CG 4.43Å; N483-N505 PolarHBondContact N-O 3.23Å; N483-N506 WeakPolarHBondContact CA-OD1 3.37Å; N483-N506 WeakPolarHBondContact CB-OD1 3.23Å; N483-N506 PolarHBondContact O-OD1 3.12Å
484	L	96.5	Very high	92.4	Very high	64 Å²	64	41.4 Å²	41.4	34%	0.335	21%	0.211	S	C	.	.			trans	-115.1	20	-174.7	-58.9	177.8	0	0	0	113.1	L460 I461 K462 K486 N506	L460-L484 HydrophobicContact CB-CD1 4.43Å; L460-L484 HydrophobicContact CD2-CD1 4.38Å; I461-L484 CarbonylContact O-C 3.55Å; I461-L484 VanDerWaalsContact O-CA 3.28Å; I461-L484 WeakPolarHBondContact O-CA 3.2Å; I461-L484 PolarHBondContact O-N 2.9Å; K462-L484 HydrophobicContact CG-CB 3.99Å; K462-L484 HydrophobicContact CG-CD1 4.19Å; L484-K486 PolarHBondContact O-N 3.22Å; L484-N506 PolarHBondContact N-OD1 2.76Å
485	L	96.8	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.			trans	-65.2	131.1	-175.2	-60.7	172.2	0	0	0	111.5	I461 I464 L480 N483 L488 L503 N506 K507 F508	I461-L485 HydrophobicContact CB-CD2 4.27Å; I461-L485 HydrophobicContact CG2-CD2 3.7Å; I461-L485 PolarHBondContact O-N 3.1Å; I461-L485 VanDerWaalsContact O-N 3.11Å; I464-L485 HydrophobicContact CD1-CD1 3.99Å; I464-L485 HydrophobicContact CD1-CD2 3.8Å; I464-L485 HydrophobicContact CG1-CD2 3.79Å; L480-L485 HydrophobicContact CB-CD1 4.23Å; L480-L485 HydrophobicContact CD1-CD1 4.25Å; L480-L485 HydrophobicContact CD2-CD1 4.48Å; N483-L485 HydrophobicContact CB-CG 4.43Å; L485-L488 HydrophobicContact CD1-CD2 4.46Å; L485-L503 HydrophobicContact CD1-CD2 4.33Å; L485-N506 HydrophobicContact CB-CB 4.34Å; L485-N506 VanDerWaalsContact CB-OD1 3.29Å; L485-N506 WeakPolarHBondContact CB-OD1 3.27Å; L485-N506 WeakPolarHBondContact CG-OD1 3.43Å; L485-N506 PolarHBondContact N-OD1 3.16Å; L485-K507 CarbonylContact O-C 3.54Å; L485-K507 VanDerWaalsContact O-CA 3.22Å; L485-K507 WeakPolarHBondContact O-CA 3.18Å; L485-K507 WeakPolarHBondContact O-CB 2.95Å; L485-K507 PolarHBondContact O-N 2.86Å; L485-F508 HydrophobicContact CB-CE1 4.11Å; L485-F508 HydrophobicContact CB-CE2 3.87Å; L485-F508 HydrophobicContact CB-CZ 3.49Å; L485-F508 VanDerWaalsContact CB-CZ 3.49Å; L485-F508 HydrophobicContact CD1-CE2 4.39Å; L485-F508 HydrophobicContact CD1-CZ 4.03Å; L485-F508 HydrophobicContact CG-CZ 4.41Å; L485-F508 PolarHBondContact O-N 3.09Å
486	K	93.3	Very high	91.6	Very high	134 Å²	134	41.4 Å²	41.4	58%	0.583	23%	0.226	S	C	*	.			trans	-103.7	-28.4	178.2	-63.6	-179.1	-179.1	179.9	0	114	L484 K507 F508	L484-K486 PolarHBondContact O-N 3.22Å; K486-K507 HydrophobicContact CG-CB 4.11Å; K486-F508 WeakPolarHBondContact O-CD1 3.15Å
487	S	92.4	Very high	91.6	Very high	61 Å²	61	39.8 Å²	39.8	43%	0.427	22%	0.223	S	C	.	.			trans	-158.8	156.2	-175	52.1	0	0	0	0	109.1
488	L	94.3	Very high	91.6	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	22%	0.22	C	C	.	.			trans	-110.6	145.3	168.2	-64.7	-177.5	0	0	0	109.4	I464 L485 I492 F493 L503 F508 L511 V516	I464-L488 HydrophobicContact CD1-CD2 4.15Å; L485-L488 HydrophobicContact CD1-CD2 4.46Å; L488-I492 HydrophobicContact CB-CG2 4.22Å; L488-I492 HydrophobicContact CD1-CG2 4.44Å; L488-F493 HydrophobicContact CD1-CE2 3.83Å; L488-F493 HydrophobicContact CD1-CZ 3.69Å; L488-L503 HydrophobicContact CD1-CD1 4.32Å; L488-F508 HydrophobicContact CD2-CE1 4.32Å; L488-F508 HydrophobicContact CD2-CZ 4.07Å; L488-F508 HydrophobicContact CG-CE1 3.92Å; L488-F508 HydrophobicContact CG-CZ 3.99Å; L488-L511 HydrophobicContact CB-CD1 4.46Å; L488-L511 HydrophobicContact CD1-CD1 4.15Å; L488-L511 HydrophobicContact CG-CD1 4.19Å; L488-V516 HydrophobicContact CB-CG1 4.35Å; L488-V516 HydrophobicContact CD1-CG1 4.2Å
489	P	91.9	Very high	91.2	Very high	31 Å²	31	40.6 Å²	40.6	20%	0.201	23%	0.23	C	C	.	.			trans	-72.1	155.8	175.9	29.6	-31.6	0	0	0	111	I464 A466 I492	I464-P489 WeakPolarHBondContact O-CD 3.33Å; I464-P489 WeakPolarHBondContact O-CG 3.13Å; A466-P489 HydrophobicContact CB-CB 4.08Å; A466-P489 HydrophobicContact CB-CG 4.39Å; P489-I492 HydrophobicContact CG-CB 4.01Å; P489-I492 HydrophobicContact CG-CD1 4.02Å; P489-I492 HydrophobicContact CG-CG1 4.08Å; P489-I492 WeakPolarHBondContact O-CB 3.3Å; P489-I492 WeakPolarHBondContact O-CG2 3.23Å
490	V	88.5	Confident	90.8	Very high	76 Å²	76	40.9 Å²	40.9	46%	0.461	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	142.3	176.8	-160.6	0	0	0	0	109.7	I492 G515	V490-I492 VanDerWaalsContact C-N 3.31Å; V490-I492 PolarHBondContact O-N 3.17Å; V490-G515 WeakPolarHBondContact CG1-O 3.5Å
491	Y	88.6	Confident	90.6	Very high	152 Å²	152	41 Å²	41	60%	0.596	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	13.7	-177.4	-50.3	-66	0	0	0	116.3	F493 S494 G515 Q519	Y491-F493 PolarHBondContact O-N 3.21Å; Y491-F493 VanDerWaalsContact O-N 3.1Å; Y491-S494 WeakPolarHBondContact O-CB 3.47Å; Y491-S494 PolarHBondContact O-N 3.4Å; Y491-G515 WeakPolarHBondContact CA-O 3.35Å; Y491-G515 PolarHBondContact N-O 2.93Å; Y491-Q519 VanDerWaalsContact CA-OE1 3.31Å
492	I	92.6	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22	-176.5	-167.9	50.8	0	0	0	115.8	I464 L465 F469 L488 P489 V490 V516	I464-I492 HydrophobicContact CG2-CD1 3.86Å; I464-I492 HydrophobicContact CG2-CG1 4.34Å; L465-I492 WeakPolarHBondContact O-CD1 3.35Å; F469-I492 HydrophobicContact CD2-CD1 3.87Å; F469-I492 HydrophobicContact CD2-CG1 3.79Å; F469-I492 WeakPolarHBondContact CD2-O 3.49Å; F469-I492 HydrophobicContact CE2-CD1 4.09Å; F469-I492 HydrophobicContact CE2-CG1 3.85Å; L488-I492 HydrophobicContact CB-CG2 4.22Å; L488-I492 HydrophobicContact CD1-CG2 4.44Å; P489-I492 HydrophobicContact CG-CB 4.01Å; P489-I492 HydrophobicContact CG-CD1 4.02Å; P489-I492 HydrophobicContact CG-CG1 4.08Å; P489-I492 WeakPolarHBondContact O-CB 3.3Å; P489-I492 WeakPolarHBondContact O-CG2 3.23Å; V490-I492 VanDerWaalsContact C-N 3.31Å; V490-I492 PolarHBondContact O-N 3.17Å; I492-V516 HydrophobicContact CG2-CG1 4.1Å
493	F	91.7	Very high	90.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	18.8	177.3	-55.4	-51.6	0	0	0	112	F469 L478 L488 Y491 G495 A496 L498 L501 V516 Q519 L520	F469-F493 AromaticContact CD2-CD1 4Å; F469-F493 HydrophobicContact CD2-CD1 4Å; F469-F493 AromaticContact CD2-CE1 3.93Å; F469-F493 HydrophobicContact CD2-CE1 3.93Å; F469-F493 HydrophobicContact CE2-CD1 4.42Å; F469-F493 AromaticContact CE2-CE1 3.88Å; F469-F493 HydrophobicContact CE2-CE1 3.88Å; L478-F493 HydrophobicContact CD2-CE1 3.88Å; L488-F493 HydrophobicContact CD1-CE2 3.83Å; L488-F493 HydrophobicContact CD1-CZ 3.69Å; Y491-F493 PolarHBondContact O-N 3.21Å; Y491-F493 VanDerWaalsContact O-N 3.1Å; F493-G495 PolarHBondContact O-N 2.8Å; F493-G495 VanDerWaalsContact O-N 3.11Å; F493-A496 PolarHBondContact O-N 3.49Å; F493-L498 HydrophobicContact CD1-CD1 3.41Å; F493-L498 VanDerWaalsContact CD1-CD1 3.41Å; F493-L498 HydrophobicContact CE1-CD1 3.64Å; F493-L498 HydrophobicContact CG-CD1 4.03Å; F493-L498 HydrophobicContact CZ-CD1 4.41Å; F493-L501 HydrophobicContact CE2-CD2 3.86Å; F493-L501 HydrophobicContact CZ-CD1 4.14Å; F493-L501 HydrophobicContact CZ-CD2 3.78Å; F493-V516 HydrophobicContact CD2-CG1 4.02Å; F493-V516 HydrophobicContact CE2-CG1 3.85Å; F493-Q519 HydrophobicContact CB-CB 4.26Å; F493-L520 HydrophobicContact CB-CD2 3.87Å; F493-L520 HydrophobicContact CD2-CD1 4.27Å; F493-L520 HydrophobicContact CD2-CD2 3.66Å; F493-L520 HydrophobicContact CD2-CG 4.08Å; F493-L520 HydrophobicContact CE2-CD1 4.39Å; F493-L520 HydrophobicContact CE2-CD2 4.33Å; F493-L520 HydrophobicContact CG-CD2 3.79Å
494	S	85.9	Confident	90.5	Very high	59 Å²	59	43.1 Å²	43.1	41%	0.413	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	110.3	178.3	-172.9	0	0	0	0	111.2	Y491 A496	Y491-S494 WeakPolarHBondContact O-CB 3.47Å; Y491-S494 PolarHBondContact O-N 3.4Å; S494-A496 VanDerWaalsContact C-N 3.34Å
495	G	80.3	Confident	90.2	Very high	59 Å²	59	42.8 Å²	42.8	61%	0.608	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-1.6	179.2	0	0	0	0	0	115.4	P473 F493 P497	P473-G495 WeakPolarHBondContact CA-O 3.24Å; F493-G495 PolarHBondContact O-N 2.8Å; F493-G495 VanDerWaalsContact O-N 3.11Å; G495-P497 WeakPolarHBondContact O-CD 3.13Å
496	A	88.8	Confident	90.2	Very high	6 Å²	6	42.8 Å²	42.8	5%	0.05	24%	0.236	C	C	.	.			trans	-94.3	110.1	173.5	0	0	0	0	0	110.4	F493 S494 L498	F493-A496 PolarHBondContact O-N 3.49Å; S494-A496 VanDerWaalsContact C-N 3.34Å; A496-L498 HydrophobicContact CB-CG 4.34Å; A496-L498 PolarHBondContact O-N 3.05Å
497	P	87	Confident	90.3	Very high	51 Å²	51	41 Å²	41	33%	0.331	23%	0.228	S	C	.	.			trans	-79.9	57.3	-175.6	35.3	-37.6	0	0	0	112.1	P473 L475 G495 A499	P473-P497 WeakPolarHBondContact O-CD 3.3Å; P473-P497 WeakPolarHBondContact O-CG 3.43Å; L475-P497 CarbonylContact O-C 3.55Å; L475-P497 VanDerWaalsContact O-C 3.27Å; L475-P497 WeakPolarHBondContact O-CD 3.41Å; G495-P497 WeakPolarHBondContact O-CD 3.13Å; P497-A499 PolarHBondContact O-N 3.36Å
498	L	91.3	Very high	90.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.207	C	C	.	.			trans	-62.1	120.8	-175.7	-72.8	176	0	0	0	111.8	L475 L478 F493 A496 L520 S522 L523	L475-L498 HydrophobicContact CB-CD2 4.44Å; L475-L498 HydrophobicContact CD2-CD2 3.95Å; L475-L498 HydrophobicContact CG-CD2 3.78Å; L475-L498 PolarHBondContact O-N 2.81Å; L478-L498 HydrophobicContact CB-CD1 4.4Å; L478-L498 HydrophobicContact CB-CD2 3.71Å; L478-L498 HydrophobicContact CD2-CD1 4.14Å; F493-L498 HydrophobicContact CD1-CD1 3.41Å; F493-L498 VanDerWaalsContact CD1-CD1 3.41Å; F493-L498 HydrophobicContact CE1-CD1 3.64Å; F493-L498 HydrophobicContact CG-CD1 4.03Å; F493-L498 HydrophobicContact CZ-CD1 4.41Å; A496-L498 HydrophobicContact CB-CG 4.34Å; A496-L498 PolarHBondContact O-N 3.05Å; L498-L520 HydrophobicContact CB-CD2 3.97Å; L498-L520 HydrophobicContact CD1-CD2 4Å; L498-S522 CarbonylContact O-C 3.14Å; L498-L523 PolarHBondContact O-N 2.77Å
499	A	86.7	Confident	90.3	Very high	25 Å²	25	41.9 Å²	41.9	21%	0.207	23%	0.226	C	C	.	.	S	Bend	trans	-92.8	-37.3	171.2	0	0	0	0	0	111.8	Q476 P497 S522 T524 Q525	Q476-A499 PolarHBondContact O-N 3.02Å; P497-A499 PolarHBondContact O-N 3.36Å; A499-S522 WeakPolarHBondContact CA-O 3.43Å; A499-T524 PolarHBondContact O-N 3.2Å; A499-T524 PolarHBondContact O-OG1 3.39Å; A499-T524 VanDerWaalsContact O-OG1 3.12Å; A499-Q525 PolarHBondContact O-N 3.39Å; A499-Q525 VanDerWaalsContact O-N 3.13Å
500	R	84.8	Confident	90.2	Very high	67 Å²	67	46 Å²	46	25%	0.253	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.9	179.9	-58.5	-168.2	178.6	158.4	-0.2	111.3	Q476 L477 L478 Q525	Q476-R500 PolarHBondContact O-N 3.27Å; L477-R500 WeakPolarHBondContact CA-O 3.36Å; L477-R500 HydrophobicContact CD1-CB 4.37Å; L477-R500 HydrophobicContact CG-CB 4.29Å; L478-R500 PolarHBondContact N-O 2.67Å; R500-Q525 WeakPolarHBondContact CA-O 3.48Å; R500-Q525 HydrophobicContact CG-CB 4.11Å
501	L	92.6	Very high	90.4	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.6	178.9	175.9	59.2	0	0	0	110	L478 F493 L503 L520 L523 Q525 I526 D527	L478-L501 HydrophobicContact CB-CD1 4.28Å; L478-L501 HydrophobicContact CD2-CD1 4.05Å; L478-L501 HydrophobicContact CG-CD1 4.17Å; F493-L501 HydrophobicContact CE2-CD2 3.86Å; F493-L501 HydrophobicContact CZ-CD1 4.14Å; F493-L501 HydrophobicContact CZ-CD2 3.78Å; L501-L503 HydrophobicContact CD1-CD1 4.47Å; L501-L503 HydrophobicContact CD1-CD2 4.27Å; L501-L503 HydrophobicContact CD1-CG 4.09Å; L501-L503 HydrophobicContact CD2-CD1 4.05Å; L501-L503 HydrophobicContact CD2-CG 4.5Å; L501-L503 HydrophobicContact CG-CD1 4.18Å; L501-L503 HydrophobicContact CG-CG 4.09Å; L501-L520 HydrophobicContact CD2-CD1 3.79Å; L501-L523 HydrophobicContact CB-CD1 4.17Å; L501-Q525 PolarHBondContact N-O 2.72Å; L501-Q525 VanDerWaalsContact N-O 3.12Å; L501-I526 HydrophobicContact CB-CG1 4.26Å; L501-I526 HydrophobicContact CD2-CD1 4.04Å; L501-I526 HydrophobicContact CD2-CG1 4.43Å; L501-I526 HydrophobicContact CG-CG1 4.37Å; L501-I526 WeakPolarHBondContact O-CA 3.42Å; L501-D527 PolarHBondContact O-N 2.86Å; L501-D527 VanDerWaalsContact O-N 3.11Å
502	N	89.8	Confident	90.4	Very high	24 Å²	24	37.4 Å²	37.4	13%	0.128	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.7	178.6	-166.8	-10.3	0	0	0	111.1	L478 Y479 L480 N481 R504	L478-N502 PolarHBondContact O-N 2.91Å; Y479-N502 HydrophobicContact CD1-CB 3.54Å; Y479-N502 HydrophobicContact CE1-CB 3.98Å; Y479-N502 HydrophobicContact CG-CB 4.11Å; L480-N502 CarbonylContact C-O 3.49Å; L480-N502 WeakPolarHBondContact CA-O 3.45Å; L480-N502 PolarHBondContact N-O 3.11Å; N481-N502 WeakPolarHBondContact CB-OD1 3.22Å; N481-N502 PolarHBondContact N-O 3.32Å; N481-N502 PolarHBondContact OD1-ND2 2.8Å; N481-N502 VanDerWaalsContact OD1-ND2 3.13Å; N502-R504 VanDerWaalsContact OD1-CB 3.24Å; N502-R504 WeakPolarHBondContact OD1-CB 3.34Å; N502-R504 PolarHBondContact OD1-N 2.8Å; N502-R504 VanDerWaalsContact OD1-N 3.13Å
503	L	94.6	Very high	90.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.			trans	-115.4	12	178.6	-65.1	171.1	0	0	0	111.9	L480 L485 L488 L501 N506 F508 L511 D527 L528 N531	L480-L503 HydrophobicContact CB-CD2 3.99Å; L480-L503 HydrophobicContact CD1-CD2 4.03Å; L485-L503 HydrophobicContact CD1-CD2 4.33Å; L488-L503 HydrophobicContact CD1-CD1 4.32Å; L501-L503 HydrophobicContact CD1-CD1 4.47Å; L501-L503 HydrophobicContact CD1-CD2 4.27Å; L501-L503 HydrophobicContact CD1-CG 4.09Å; L501-L503 HydrophobicContact CD2-CD1 4.05Å; L501-L503 HydrophobicContact CD2-CG 4.5Å; L501-L503 HydrophobicContact CG-CD1 4.18Å; L501-L503 HydrophobicContact CG-CG 4.09Å; L503-N506 PolarHBondContact O-ND2 2.99Å; L503-F508 HydrophobicContact CB-CE2 4.04Å; L503-F508 HydrophobicContact CD1-CE2 4.29Å; L503-F508 HydrophobicContact CD2-CE2 3.94Å; L503-F508 HydrophobicContact CD2-CZ 4.15Å; L503-F508 HydrophobicContact CG-CE2 4.32Å; L503-L511 HydrophobicContact CD1-CD2 4.17Å; L503-D527 CarbonylContact C-O 3.58Å; L503-D527 WeakPolarHBondContact CA-O 3.44Å; L503-D527 PolarHBondContact N-O 2.94Å; L503-L528 HydrophobicContact CB-CD2 4.17Å; L503-L528 HydrophobicContact CD1-CD2 3.98Å; L503-N531 PolarHBondContact O-ND2 2.74Å
504	R	91.8	Very high	89.9	Confident	81 Å²	81	43 Å²	43	31%	0.306	24%	0.24	S	C	.	.			trans	-53.6	144.5	-179.1	-179.3	168.4	-174.7	-145.3	10.4	112.4	N481 N482 N502 N506 D527 E529	N481-R504 CarbonylContact C-O 3.53Å; N481-R504 WeakPolarHBondContact CA-O 3.35Å; N481-R504 HydrophobicContact CB-CB 3.99Å; N481-R504 WeakPolarHBondContact CB-O 3.43Å; N482-R504 PolarHBondContact N-O 2.64Å; N502-R504 VanDerWaalsContact OD1-CB 3.24Å; N502-R504 WeakPolarHBondContact OD1-CB 3.34Å; N502-R504 PolarHBondContact OD1-N 2.8Å; N502-R504 VanDerWaalsContact OD1-N 3.13Å; R504-N506 PolarHBondContact O-N 3.43Å; R504-N506 PolarHBondContact O-ND2 2.77Å; R504-D527 HydrophobicContact CB-CB 4.47Å; R504-D527 WeakPolarHBondContact CD-OD2 3.4Å; R504-D527 PolarHBondContact N-O 3.14Å; R504-E529 CarbonylContact C-O 3.16Å; R504-E529 VanDerWaalsContact CA-O 3.26Å; R504-E529 WeakPolarHBondContact CA-O 3.01Å; R504-E529 HydrophobicContact CG-CB 4.06Å; R504-E529 WeakPolarHBondContact CG-O 3.29Å; R504-E529 IonicContact CZ-OE1 2.64Å; R504-E529 IonicContact CZ-OE2 2.72Å; R504-E529 IonicContact NE-OE1 2.71Å; R504-E529 PolarHBondContact NE-OE1 3.5Å; R504-E529 IonicContact NE-OE2 3.65Å; R504-E529 PolarHBondContact NE-OE2 3Å; R504-E529 IonicContact NH2-OE1 2.57Å; R504-E529 PolarHBondContact NH2-OE1 3.15Å; R504-E529 IonicContact NH2-OE2 3.72Å; R504-E529 PolarHBondContact NH2-OE2 3.09Å
505	N	91.6	Very high	89.8	Confident	57 Å²	57	40.3 Å²	40.3	31%	0.305	22%	0.222	S	C	.	.	S	Bend	trans	54.5	51	177	-60.9	-10	0	0	0	113.5	N482 N483 E529 G530	N482-N505 WeakPolarHBondContact CA-O 3.07Å; N482-N505 PolarHBondContact N-O 2.85Å; N482-N505 VanDerWaalsContact OD1-CB 3.24Å; N482-N505 WeakPolarHBondContact OD1-CB 3.09Å; N482-N505 PolarHBondContact OD1-ND2 3.38Å; N483-N505 PolarHBondContact N-O 3.23Å; N505-E529 PolarHBondContact N-O 3.25Å; N505-G530 WeakPolarHBondContact CA-O 3.37Å
506	N	96	Very high	90.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-107.2	-151.9	170.6	-89.8	-82.7	0	0	0	110.1	L480 N483 L484 L485 L503 R504 F508 N531	L480-N506 PolarHBondContact O-ND2 2.94Å; N483-N506 WeakPolarHBondContact CA-OD1 3.37Å; N483-N506 WeakPolarHBondContact CB-OD1 3.23Å; N483-N506 PolarHBondContact O-OD1 3.12Å; L484-N506 PolarHBondContact N-OD1 2.76Å; L485-N506 HydrophobicContact CB-CB 4.34Å; L485-N506 VanDerWaalsContact CB-OD1 3.29Å; L485-N506 WeakPolarHBondContact CB-OD1 3.27Å; L485-N506 WeakPolarHBondContact CG-OD1 3.43Å; L485-N506 PolarHBondContact N-OD1 3.16Å; L503-N506 PolarHBondContact O-ND2 2.99Å; R504-N506 PolarHBondContact O-N 3.43Å; R504-N506 PolarHBondContact O-ND2 2.77Å; N506-F508 HydrophobicContact CB-CD2 3.63Å; N506-F508 HydrophobicContact CB-CE2 3.64Å; N506-N531 WeakPolarHBondContact CA-OD1 3.36Å; N506-N531 WeakPolarHBondContact CB-OD1 3.38Å; N506-N531 PolarHBondContact N-OD1 3.41Å; N506-N531 VanDerWaalsContact N-OD1 3.14Å; N506-N531 PolarHBondContact O-OD1 3.34Å
507	K	95.6	Very high	90.2	Very high	96 Å²	96	37.3 Å²	37.3	42%	0.417	19%	0.191	S	C	.	.			trans	-128.6	29.6	178.7	-59.3	-67.5	150	-122.4	0	112.1	L485 K486 M509 N531	L485-K507 CarbonylContact O-C 3.54Å; L485-K507 VanDerWaalsContact O-CA 3.22Å; L485-K507 WeakPolarHBondContact O-CA 3.18Å; L485-K507 WeakPolarHBondContact O-CB 2.95Å; L485-K507 PolarHBondContact O-N 2.86Å; K486-K507 HydrophobicContact CG-CB 4.11Å; K507-M509 PolarHBondContact O-N 2.93Å; K507-N531 PolarHBondContact N-OD1 2.94Å
508	F	94.6	Very high	90.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.			trans	-68.5	118.7	174.8	-65.2	-71.6	0	0	0	111	L485 K486 L488 L503 N506 L511 N531 P532 W533	L485-F508 HydrophobicContact CB-CE1 4.11Å; L485-F508 HydrophobicContact CB-CE2 3.87Å; L485-F508 HydrophobicContact CB-CZ 3.49Å; L485-F508 VanDerWaalsContact CB-CZ 3.49Å; L485-F508 HydrophobicContact CD1-CE2 4.39Å; L485-F508 HydrophobicContact CD1-CZ 4.03Å; L485-F508 HydrophobicContact CG-CZ 4.41Å; L485-F508 PolarHBondContact O-N 3.09Å; K486-F508 WeakPolarHBondContact O-CD1 3.15Å; L488-F508 HydrophobicContact CD2-CE1 4.32Å; L488-F508 HydrophobicContact CD2-CZ 4.07Å; L488-F508 HydrophobicContact CG-CE1 3.92Å; L488-F508 HydrophobicContact CG-CZ 3.99Å; L503-F508 HydrophobicContact CB-CE2 4.04Å; L503-F508 HydrophobicContact CD1-CE2 4.29Å; L503-F508 HydrophobicContact CD2-CE2 3.94Å; L503-F508 HydrophobicContact CD2-CZ 4.15Å; L503-F508 HydrophobicContact CG-CE2 4.32Å; N506-F508 HydrophobicContact CB-CD2 3.63Å; N506-F508 HydrophobicContact CB-CE2 3.64Å; F508-L511 HydrophobicContact CD1-CD1 4.05Å; F508-L511 HydrophobicContact CE1-CD1 4.01Å; F508-N531 HydrophobicContact CB-CB 4.3Å; F508-N531 WeakPolarHBondContact CD2-OD1 3.23Å; F508-N531 PolarHBondContact N-OD1 3.35Å; F508-P532 CarbonylContact O-C 3.41Å; F508-P532 VanDerWaalsContact O-CD 3.29Å; F508-P532 WeakPolarHBondContact O-CD 3.31Å; F508-W533 HydrophobicContact CB-CH2 3.8Å; F508-W533 HydrophobicContact CB-CZ2 4.43Å; F508-W533 HydrophobicContact CB-CZ3 3.9Å
509	M	91.4	Very high	89.8	Confident	90 Å²	90	40.1 Å²	40.1	44%	0.443	20%	0.202	S	C	.	.	S	Bend	trans	-89.6	-37.6	169	-65	173.1	-66.4	0	0	110.9	K507 P532 W533 D534	K507-M509 PolarHBondContact O-N 2.93Å; M509-P532 WeakPolarHBondContact CA-O 3.4Å; M509-P532 HydrophobicContact CG-CG 4.32Å; M509-W533 WeakPolarHBondContact O-CA 3.5Å; M509-D534 HydrophobicContact CB-CB 4.2Å; M509-D534 PolarHBondContact O-N 2.82Å
510	Y	90.9	Very high	89.8	Confident	118 Å²	118	39.6 Å²	39.6	46%	0.463	20%	0.196	S	C	.	.			trans	-141.1	158.1	170	65.2	-87.3	0	0	0	109.1
511	L	91.7	Very high	89.6	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.016	22%	0.224	C	C	.	.			trans	-137.3	112.8	177.8	-170.8	62.7	0	0	0	107.6	L488 L503 F508 V513 L517 L528 W533	L488-L511 HydrophobicContact CB-CD1 4.46Å; L488-L511 HydrophobicContact CD1-CD1 4.15Å; L488-L511 HydrophobicContact CG-CD1 4.19Å; L503-L511 HydrophobicContact CD1-CD2 4.17Å; F508-L511 HydrophobicContact CD1-CD1 4.05Å; F508-L511 HydrophobicContact CE1-CD1 4.01Å; L511-V513 PolarHBondContact O-N 2.89Å; L511-L517 HydrophobicContact CD2-CD1 3.97Å; L511-L517 HydrophobicContact CD2-CD2 4.06Å; L511-L517 HydrophobicContact CD2-CG 4.38Å; L511-L517 HydrophobicContact CG-CD1 4.04Å; L511-L517 HydrophobicContact CG-CG 4.41Å; L511-L528 HydrophobicContact CD2-CD2 3.79Å; L511-W533 HydrophobicContact CB-CH2 3.88Å; L511-W533 HydrophobicContact CB-CZ3 3.79Å; L511-W533 HydrophobicContact CD2-CH2 4.23Å
512	P	88.8	Confident	89.2	Confident	44 Å²	44	47.8 Å²	47.8	29%	0.286	25%	0.245	S	C	.	.			trans	-65.9	136.5	-176.7	26.8	-34.3	0	0	0	110.4	V516	P512-V516 HydrophobicContact CG-CG2 4.08Å
513	V	87.8	Confident	88.9	Confident	24 Å²	24	47.2 Å²	47.2	15%	0.145	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-45.7	173.8	174.3	0	0	0	0	110.8	L511 G515 V516 L517 D518 A541 L542 W545	L511-V513 PolarHBondContact O-N 2.89Å; V513-G515 PolarHBondContact O-N 2.78Å; V513-V516 PolarHBondContact O-N 3.04Å; V513-L517 HydrophobicContact CG1-CB 4.41Å; V513-L517 HydrophobicContact CG2-CD1 4.12Å; V513-L517 PolarHBondContact O-N 3.18Å; V513-D518 PolarHBondContact O-N 3.34Å; V513-A541 HydrophobicContact CB-CB 4.45Å; V513-A541 HydrophobicContact CG2-CB 4.17Å; V513-A541 WeakPolarHBondContact CG2-O 3.47Å; V513-L542 HydrophobicContact CG2-CB 4.47Å; V513-L542 HydrophobicContact CG2-CD1 4.5Å; V513-W545 HydrophobicContact CB-CB 4.47Å; V513-W545 HydrophobicContact CG1-CB 3.97Å; V513-W545 HydrophobicContact CG1-CG 3.84Å; V513-W545 HydrophobicContact CG2-CB 3.61Å; V513-W545 HydrophobicContact CG2-CG 3.99Å
514	S	86.8	Confident	88.3	Confident	94 Å²	94	50.4 Å²	50.4	66%	0.657	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	128.2	-174.5	-165.3	0	0	0	0	111.8	V516 D518	S514-V516 VanDerWaalsContact C-N 3.27Å; S514-V516 PolarHBondContact O-N 3.17Å; S514-D518 VanDerWaalsContact CA-OD2 3.28Å; S514-D518 WeakPolarHBondContact CA-OD2 3.22Å
515	G	83	Confident	87.7	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	12.8	-174.9	0	0	0	0	0	114.9	V490 Y491 V513 D518 Q519	V490-G515 WeakPolarHBondContact CG1-O 3.5Å; Y491-G515 WeakPolarHBondContact CA-O 3.35Å; Y491-G515 PolarHBondContact N-O 2.93Å; V513-G515 PolarHBondContact O-N 2.78Å; G515-D518 VanDerWaalsContact CA-OD1 3.24Å; G515-D518 WeakPolarHBondContact CA-OD1 3.28Å; G515-D518 PolarHBondContact N-OD1 3.31Å; G515-D518 PolarHBondContact N-OD2 2.88Å; G515-Q519 PolarHBondContact O-OE1 2.86Å
516	V	89.4	Confident	87.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-67.2	174.3	179	0	0	0	0	110.5	L488 I492 F493 P512 V513 S514 D518 Q519	L488-V516 HydrophobicContact CB-CG1 4.35Å; L488-V516 HydrophobicContact CD1-CG1 4.2Å; I492-V516 HydrophobicContact CG2-CG1 4.1Å; F493-V516 HydrophobicContact CD2-CG1 4.02Å; F493-V516 HydrophobicContact CE2-CG1 3.85Å; P512-V516 HydrophobicContact CG-CG2 4.08Å; V513-V516 PolarHBondContact O-N 3.04Å; S514-V516 VanDerWaalsContact C-N 3.27Å; S514-V516 PolarHBondContact O-N 3.17Å; V516-D518 PolarHBondContact N-OD1 2.57Å; V516-D518 VanDerWaalsContact N-OD1 3.16Å; V516-Q519 WeakPolarHBondContact O-CB 3.29Å; V516-Q519 PolarHBondContact O-N 2.86Å
517	L	88.5	Confident	87	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-82.5	-22.7	-177.6	-59.1	173.3	0	0	0	113.1	L511 V513 Q519 L520 I526 L542 W545	L511-L517 HydrophobicContact CD2-CD1 3.97Å; L511-L517 HydrophobicContact CD2-CD2 4.06Å; L511-L517 HydrophobicContact CD2-CG 4.38Å; L511-L517 HydrophobicContact CG-CD1 4.04Å; L511-L517 HydrophobicContact CG-CG 4.41Å; V513-L517 HydrophobicContact CG1-CB 4.41Å; V513-L517 HydrophobicContact CG2-CD1 4.12Å; V513-L517 PolarHBondContact O-N 3.18Å; L517-Q519 PolarHBondContact O-N 3.1Å; L517-L520 HydrophobicContact CD2-CD1 3.72Å; L517-L520 PolarHBondContact O-N 3.02Å; L517-I526 HydrophobicContact CD2-CD1 4.11Å; L517-L542 HydrophobicContact CD1-CD1 3.39Å; L517-W545 HydrophobicContact CB-CD2 4.15Å; L517-W545 HydrophobicContact CB-CH2 4.13Å; L517-W545 HydrophobicContact CB-CZ2 3.72Å; L517-W545 HydrophobicContact CD1-CD2 4.29Å; L517-W545 HydrophobicContact CD1-CE3 3.95Å; L517-W545 HydrophobicContact CD1-CH2 4.29Å; L517-W545 HydrophobicContact CD1-CZ3 3.95Å; L517-W545 HydrophobicContact CD2-CH2 4.09Å; L517-W545 HydrophobicContact CD2-CZ2 4.43Å; L517-W545 HydrophobicContact CD2-CZ3 4.46Å; L517-W545 HydrophobicContact CG-CH2 4.41Å; L517-W545 HydrophobicContact CG-CZ2 4.48Å; L517-W545 PolarHBondContact O-NE1 2.8Å
518	D	85.5	Confident	86.8	Confident	75 Å²	75	43 Å²	43	40%	0.401	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-69.6	-15	170.3	63.6	-4.6	0	0	0	113.7	V513 S514 G515 V516	V513-D518 PolarHBondContact O-N 3.34Å; S514-D518 VanDerWaalsContact CA-OD2 3.28Å; S514-D518 WeakPolarHBondContact CA-OD2 3.22Å; G515-D518 VanDerWaalsContact CA-OD1 3.24Å; G515-D518 WeakPolarHBondContact CA-OD1 3.28Å; G515-D518 PolarHBondContact N-OD1 3.31Å; G515-D518 PolarHBondContact N-OD2 2.88Å; V516-D518 PolarHBondContact N-OD1 2.57Å; V516-D518 VanDerWaalsContact N-OD1 3.16Å
519	Q	85	Confident	86.5	Confident	36 Å²	36	45.4 Å²	45.4	17%	0.168	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-76.8	-23.5	173.9	-50.5	-166.2	-78.3	0	0	113	Y491 F493 G515 V516 L517 Q521	Y491-Q519 VanDerWaalsContact CA-OE1 3.31Å; F493-Q519 HydrophobicContact CB-CB 4.26Å; G515-Q519 PolarHBondContact O-OE1 2.86Å; V516-Q519 WeakPolarHBondContact O-CB 3.29Å; V516-Q519 PolarHBondContact O-N 2.86Å; L517-Q519 PolarHBondContact O-N 3.1Å; Q519-Q521 PolarHBondContact O-N 2.96Å
520	L	85.5	Confident	86.3	Confident	14 Å²	14	43.3 Å²	43.3	7%	0.073	24%	0.242	C	C	.	.			trans	-80.1	60.4	-169	-61.7	175.6	0	0	0	112.3	F493 L498 L501 L517 S522 L523	F493-L520 HydrophobicContact CB-CD2 3.87Å; F493-L520 HydrophobicContact CD2-CD1 4.27Å; F493-L520 HydrophobicContact CD2-CD2 3.66Å; F493-L520 HydrophobicContact CD2-CG 4.08Å; F493-L520 HydrophobicContact CE2-CD1 4.39Å; F493-L520 HydrophobicContact CE2-CD2 4.33Å; F493-L520 HydrophobicContact CG-CD2 3.79Å; L498-L520 HydrophobicContact CB-CD2 3.97Å; L498-L520 HydrophobicContact CD1-CD2 4Å; L501-L520 HydrophobicContact CD2-CD1 3.79Å; L517-L520 HydrophobicContact CD2-CD1 3.72Å; L517-L520 PolarHBondContact O-N 3.02Å; L520-S522 VanDerWaalsContact C-N 3.26Å; L520-S522 PolarHBondContact O-N 2.86Å; L520-L523 HydrophobicContact CB-CB 4.1Å; L520-L523 HydrophobicContact CB-CD1 4.49Å; L520-L523 HydrophobicContact CB-CD2 4.05Å; L520-L523 HydrophobicContact CB-CG 4.47Å; L520-L523 HydrophobicContact CD1-CD1 4.36Å; L520-L523 HydrophobicContact CD1-CD2 4.04Å; L520-L523 WeakPolarHBondContact O-CB 3.16Å; L520-L523 PolarHBondContact O-N 2.95Å
521	Q	81.3	Confident	86.4	Confident	178 Å²	178	38 Å²	38	83%	0.832	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13	-173	-63.5	178.5	19.7	0	0	114.6	Q519	Q519-Q521 PolarHBondContact O-N 2.96Å
522	S	83.6	Confident	86.5	Confident	65 Å²	65	38.6 Å²	38.6	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	9.4	-179	-55.1	0	0	0	0	113.6	L498 A499 L520 T524	L498-S522 CarbonylContact O-C 3.14Å; A499-S522 WeakPolarHBondContact CA-O 3.43Å; L520-S522 VanDerWaalsContact C-N 3.26Å; L520-S522 PolarHBondContact O-N 2.86Å; S522-T524 PolarHBondContact O-N 2.76Å
523	L	84	Confident	86.7	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.063	21%	0.213	C	C	.	.			trans	-69.2	124.3	-170.3	-165.5	69.1	0	0	0	112.5	L498 L501 L520 Q525 I526 W545 I553	L498-L523 PolarHBondContact O-N 2.77Å; L501-L523 HydrophobicContact CB-CD1 4.17Å; L520-L523 HydrophobicContact CB-CB 4.1Å; L520-L523 HydrophobicContact CB-CD1 4.49Å; L520-L523 HydrophobicContact CB-CD2 4.05Å; L520-L523 HydrophobicContact CB-CG 4.47Å; L520-L523 HydrophobicContact CD1-CD1 4.36Å; L520-L523 HydrophobicContact CD1-CD2 4.04Å; L520-L523 WeakPolarHBondContact O-CB 3.16Å; L520-L523 PolarHBondContact O-N 2.95Å; L523-Q525 WeakPolarHBondContact CD1-O 3.43Å; L523-I526 HydrophobicContact CD1-CB 4.32Å; L523-I526 HydrophobicContact CD2-CB 3.98Å; L523-I526 HydrophobicContact CD2-CD1 4.34Å; L523-I526 HydrophobicContact CD2-CG2 3.97Å; L523-I526 HydrophobicContact CG-CB 4.4Å; L523-W545 HydrophobicContact CD2-CH2 3.82Å; L523-W545 HydrophobicContact CD2-CZ2 3.98Å; L523-I553 WeakPolarHBondContact O-CD1 3.33Å
524	T	81	Confident	86.9	Confident	66 Å²	66	37.4 Å²	37.4	41%	0.405	22%	0.216	S	C	.	.	S	Bend	trans	-110.6	-24.1	174.4	59.4	0	0	0	0	112.7	A499 S522 I553 V554	A499-T524 PolarHBondContact O-N 3.2Å; A499-T524 PolarHBondContact O-OG1 3.39Å; A499-T524 VanDerWaalsContact O-OG1 3.12Å; S522-T524 PolarHBondContact O-N 2.76Å; T524-I553 WeakPolarHBondContact O-CA 3.31Å; T524-V554 PolarHBondContact O-N 3.1Å
525	Q	80.6	Confident	87	Confident	67 Å²	67	33 Å²	33	31%	0.313	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	133.6	178	-174.6	179.5	7.3	0	0	111	A499 R500 L501 L523 V554	A499-Q525 PolarHBondContact O-N 3.39Å; A499-Q525 VanDerWaalsContact O-N 3.13Å; R500-Q525 WeakPolarHBondContact CA-O 3.48Å; R500-Q525 HydrophobicContact CG-CB 4.11Å; L501-Q525 PolarHBondContact N-O 2.72Å; L501-Q525 VanDerWaalsContact N-O 3.12Å; L523-Q525 WeakPolarHBondContact CD1-O 3.43Å; Q525-V554 HydrophobicContact CG-CB 4.4Å
526	I	87.7	Confident	87.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.2	169.8	-170.1	178	0	0	0	111.2	L501 L517 L523 L528 W545 V554 V555	L501-I526 HydrophobicContact CB-CG1 4.26Å; L501-I526 HydrophobicContact CD2-CD1 4.04Å; L501-I526 HydrophobicContact CD2-CG1 4.43Å; L501-I526 HydrophobicContact CG-CG1 4.37Å; L501-I526 WeakPolarHBondContact O-CA 3.42Å; L517-I526 HydrophobicContact CD2-CD1 4.11Å; L523-I526 HydrophobicContact CD1-CB 4.32Å; L523-I526 HydrophobicContact CD2-CB 3.98Å; L523-I526 HydrophobicContact CD2-CD1 4.34Å; L523-I526 HydrophobicContact CD2-CG2 3.97Å; L523-I526 HydrophobicContact CG-CB 4.4Å; I526-L528 HydrophobicContact CD1-CD1 4.18Å; I526-L528 HydrophobicContact CD1-CD2 4.15Å; I526-L528 HydrophobicContact CD1-CG 4.12Å; I526-L528 HydrophobicContact CG1-CD2 4.37Å; I526-L528 HydrophobicContact CG1-CG 4.07Å; I526-W545 HydrophobicContact CD1-CH2 3.91Å; I526-W545 HydrophobicContact CD1-CZ3 4.29Å; I526-W545 HydrophobicContact CG2-CH2 4.22Å; I526-W545 HydrophobicContact CG2-CZ3 4.45Å; I526-V554 PolarHBondContact N-O 3.28Å; I526-V555 HydrophobicContact CG2-CG2 3.67Å
527	D	85	Confident	87.2	Confident	11 Å²	11	37.4 Å²	37.4	6%	0.059	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	175.3	-162.2	-22.6	0	0	0	109.9	L501 L503 R504 E529 K556	L501-D527 PolarHBondContact O-N 2.86Å; L501-D527 VanDerWaalsContact O-N 3.11Å; L503-D527 CarbonylContact C-O 3.58Å; L503-D527 WeakPolarHBondContact CA-O 3.44Å; L503-D527 PolarHBondContact N-O 2.94Å; R504-D527 HydrophobicContact CB-CB 4.47Å; R504-D527 WeakPolarHBondContact CD-OD2 3.4Å; R504-D527 PolarHBondContact N-O 3.14Å; D527-E529 WeakPolarHBondContact OD1-CB 3.49Å; D527-E529 PolarHBondContact OD1-N 3.16Å; D527-K556 WeakPolarHBondContact OD2-CE 3.43Å; D527-K556 IonicContact OD2-NZ 3.2Å; D527-K556 PolarHBondContact OD2-NZ 3.23Å
528	L	90.9	Very high	87	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.			trans	-125.6	5.4	-174.1	-73.5	175.8	0	0	0	111.4	L503 L511 I526 N531 W533 L542 L558	L503-L528 HydrophobicContact CB-CD2 4.17Å; L503-L528 HydrophobicContact CD1-CD2 3.98Å; L511-L528 HydrophobicContact CD2-CD2 3.79Å; I526-L528 HydrophobicContact CD1-CD1 4.18Å; I526-L528 HydrophobicContact CD1-CD2 4.15Å; I526-L528 HydrophobicContact CD1-CG 4.12Å; I526-L528 HydrophobicContact CG1-CD2 4.37Å; I526-L528 HydrophobicContact CG1-CG 4.07Å; L528-N531 PolarHBondContact O-ND2 3.43Å; L528-N531 VanDerWaalsContact O-ND2 3.11Å; L528-W533 HydrophobicContact CB-CZ2 3.98Å; L528-W533 HydrophobicContact CD2-CH2 4.25Å; L528-W533 HydrophobicContact CD2-CZ2 4.09Å; L528-W533 HydrophobicContact CG-CZ2 4.45Å; L528-W533 PolarHBondContact O-NE1 2.94Å; L528-L542 HydrophobicContact CD1-CD1 4.48Å; L528-L558 HydrophobicContact CB-CD2 3.48Å; L528-L558 VanDerWaalsContact CB-CD2 3.48Å; L528-L558 HydrophobicContact CD1-CD1 4.2Å; L528-L558 HydrophobicContact CD1-CD2 4.39Å
529	E	88.7	Confident	87.2	Confident	52 Å²	52	39.6 Å²	39.6	24%	0.243	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	157.2	-174.4	-162.4	-149.5	108.8	0	0	111.9	R504 N505 D527 N531 K556	R504-E529 CarbonylContact C-O 3.16Å; R504-E529 VanDerWaalsContact CA-O 3.26Å; R504-E529 WeakPolarHBondContact CA-O 3.01Å; R504-E529 HydrophobicContact CG-CB 4.06Å; R504-E529 WeakPolarHBondContact CG-O 3.29Å; R504-E529 IonicContact CZ-OE1 2.64Å; R504-E529 IonicContact CZ-OE2 2.72Å; R504-E529 IonicContact NE-OE1 2.71Å; R504-E529 PolarHBondContact NE-OE1 3.5Å; R504-E529 IonicContact NE-OE2 3.65Å; R504-E529 PolarHBondContact NE-OE2 3Å; R504-E529 IonicContact NH2-OE1 2.57Å; R504-E529 PolarHBondContact NH2-OE1 3.15Å; R504-E529 IonicContact NH2-OE2 3.72Å; R504-E529 PolarHBondContact NH2-OE2 3.09Å; N505-E529 PolarHBondContact N-O 3.25Å; D527-E529 WeakPolarHBondContact OD1-CB 3.49Å; D527-E529 PolarHBondContact OD1-N 3.16Å; E529-N531 VanDerWaalsContact C-N 3.26Å; E529-N531 PolarHBondContact O-N 3.01Å; E529-N531 PolarHBondContact O-ND2 3.38Å; E529-K556 HydrophobicContact CB-CB 4.48Å; E529-K556 HydrophobicContact CB-CD 4.47Å; E529-K556 WeakPolarHBondContact OE2-CD 3.5Å; E529-K556 IonicContact OE2-NZ 2.67Å; E529-K556 PolarHBondContact OE2-NZ 3.42Å
530	G	87.3	Confident	87.4	Confident	45 Å²	45	38.8 Å²	38.8	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	22	174.2	0	0	0	0	0	115.9	N505	N505-G530 WeakPolarHBondContact CA-O 3.37Å
531	N	93.5	Very high	87.5	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.032	24%	0.239	C	C	.	.			trans	-100.5	145.4	173.1	-80.9	-74.1	0	0	0	111.3	L503 N506 K507 F508 L528 E529 W533	L503-N531 PolarHBondContact O-ND2 2.74Å; N506-N531 WeakPolarHBondContact CA-OD1 3.36Å; N506-N531 WeakPolarHBondContact CB-OD1 3.38Å; N506-N531 PolarHBondContact N-OD1 3.41Å; N506-N531 VanDerWaalsContact N-OD1 3.14Å; N506-N531 PolarHBondContact O-OD1 3.34Å; K507-N531 PolarHBondContact N-OD1 2.94Å; F508-N531 HydrophobicContact CB-CB 4.3Å; F508-N531 WeakPolarHBondContact CD2-OD1 3.23Å; F508-N531 PolarHBondContact N-OD1 3.35Å; L528-N531 PolarHBondContact O-ND2 3.43Å; L528-N531 VanDerWaalsContact O-ND2 3.11Å; E529-N531 VanDerWaalsContact C-N 3.26Å; E529-N531 PolarHBondContact O-N 3.01Å; E529-N531 PolarHBondContact O-ND2 3.38Å; N531-W533 HydrophobicContact CB-CD2 4.24Å; N531-W533 HydrophobicContact CB-CZ2 3.76Å; N531-W533 PolarHBondContact O-N 3.04Å
532	P	93.2	Very high	87.9	Confident	17 Å²	17	32 Å²	32	11%	0.11	20%	0.199	C	C	.	.			trans	-79.2	61.5	-175	35.4	-39.3	0	0	0	112.2	F508 M509 D534 E561	F508-P532 CarbonylContact O-C 3.41Å; F508-P532 VanDerWaalsContact O-CD 3.29Å; F508-P532 WeakPolarHBondContact O-CD 3.31Å; M509-P532 WeakPolarHBondContact CA-O 3.4Å; M509-P532 HydrophobicContact CG-CG 4.32Å; P532-D534 PolarHBondContact O-N 3.4Å; P532-E561 WeakPolarHBondContact CA-OE2 3.44Å; P532-E561 HydrophobicContact CB-CB 4.23Å; P532-E561 HydrophobicContact CB-CG 4.5Å; P532-E561 VanDerWaalsContact CB-OE2 3.27Å; P532-E561 WeakPolarHBondContact CB-OE2 3.13Å
533	W	93.4	Very high	88.1	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.4	-171.7	-64.2	110.5	0	0	0	112.9	F508 M509 L511 L528 N531 L539 L542 E561 T562	F508-W533 HydrophobicContact CB-CH2 3.8Å; F508-W533 HydrophobicContact CB-CZ2 4.43Å; F508-W533 HydrophobicContact CB-CZ3 3.9Å; M509-W533 WeakPolarHBondContact O-CA 3.5Å; L511-W533 HydrophobicContact CB-CH2 3.88Å; L511-W533 HydrophobicContact CB-CZ3 3.79Å; L511-W533 HydrophobicContact CD2-CH2 4.23Å; L528-W533 HydrophobicContact CB-CZ2 3.98Å; L528-W533 HydrophobicContact CD2-CH2 4.25Å; L528-W533 HydrophobicContact CD2-CZ2 4.09Å; L528-W533 HydrophobicContact CG-CZ2 4.45Å; L528-W533 PolarHBondContact O-NE1 2.94Å; N531-W533 HydrophobicContact CB-CD2 4.24Å; N531-W533 HydrophobicContact CB-CZ2 3.76Å; N531-W533 PolarHBondContact O-N 3.04Å; W533-L539 HydrophobicContact CB-CD2 4.07Å; W533-L539 HydrophobicContact CE3-CD1 3.69Å; W533-L539 HydrophobicContact CZ3-CD1 4.16Å; W533-L542 HydrophobicContact CE3-CD2 4.05Å; W533-L542 HydrophobicContact CH2-CD2 3.94Å; W533-L542 HydrophobicContact CZ2-CD2 4.47Å; W533-L542 HydrophobicContact CZ3-CD2 3.7Å; W533-E561 PolarHBondContact O-N 3.01Å; W533-T562 PolarHBondContact O-N 2.9Å; W533-T562 VanDerWaalsContact O-N 3.16Å
534	D	91.3	Very high	88.3	Confident	39 Å²	39	33 Å²	33	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	101.6	172.7	-174.6	54.6	0	0	0	110.6	M509 P532 T536 L539 T562	M509-D534 HydrophobicContact CB-CB 4.2Å; M509-D534 PolarHBondContact O-N 2.82Å; P532-D534 PolarHBondContact O-N 3.4Å; D534-T536 PolarHBondContact O-N 3.38Å; D534-T536 WeakPolarHBondContact OD2-CB 3.32Å; D534-T536 WeakPolarHBondContact OD2-CG2 3.49Å; D534-T536 PolarHBondContact OD2-OG1 2.96Å; D534-L539 WeakPolarHBondContact O-CB 3.36Å; D534-T562 CarbonylContact C-O 3.11Å; D534-T562 WeakPolarHBondContact CA-O 3.46Å; D534-T562 VanDerWaalsContact CA-OG1 3.3Å; D534-T562 WeakPolarHBondContact CA-OG1 3.19Å; D534-T562 VanDerWaalsContact CB-OG1 3.26Å; D534-T562 WeakPolarHBondContact CB-OG1 3.42Å; D534-T562 VanDerWaalsContact OD1-CB 3.27Å; D534-T562 WeakPolarHBondContact OD1-CB 3.26Å; D534-T562 PolarHBondContact OD1-OG1 2.97Å
535	C	89.6	Confident	88.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.007	19%	0.185	C	C	.	.			trans	-81.9	64.9	-177.4	-69.9	0	0	0	0	111.5	L539 C560 T562 L574 L579	C535-L539 HydrophobicContact CB-CD2 4.41Å; C535-L539 VanDerWaalsContact SG-CD2 3.55Å; C535-C560 HydrophobicContact CB-CB 3.74Å; C535-C560 WeakPolarHBondContact CB-SG 3.26Å; C535-C560 WeakPolarHBondContact SG-CB 3.26Å; C535-C560 CovalentContact SG-SG 2.02Å; C535-C560 PolarHBondContact SG-SG 3.14Å; C535-T562 PolarHBondContact N-O 3.34Å; C535-L574 HydrophobicContact CB-CD1 3.95Å; C535-L579 HydrophobicContact CB-CD2 3.75Å; C535-L579 WeakPolarHBondContact O-CD2 3.17Å
536	T	88.7	Confident	88.9	Confident	43 Å²	43	28.7 Å²	28.7	26%	0.264	17%	0.173	S	C	.	.	S	Bend	trans	-111.5	-166.4	170.6	61	0	0	0	0	110.6	D534 D538 L539 L579	D534-T536 PolarHBondContact O-N 3.38Å; D534-T536 WeakPolarHBondContact OD2-CB 3.32Å; D534-T536 WeakPolarHBondContact OD2-CG2 3.49Å; D534-T536 PolarHBondContact OD2-OG1 2.96Å; T536-D538 VanDerWaalsContact C-N 3.26Å; T536-D538 PolarHBondContact O-N 3.47Å; T536-L539 PolarHBondContact O-N 2.97Å; T536-L579 CarbonylContact C-O 3.45Å; T536-L579 VanDerWaalsContact C-O 3.29Å
537	C	86.6	Confident	88.7	Confident	54 Å²	54	32.9 Å²	32.9	37%	0.365	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-62.5	-32.3	-174	-171.2	0	0	0	0	112.9	L539 V540 L579 C580	C537-L539 VanDerWaalsContact C-N 3.25Å; C537-L539 PolarHBondContact O-N 2.86Å; C537-V540 WeakPolarHBondContact O-CB 3.45Å; C537-V540 VanDerWaalsContact O-CG2 3.31Å; C537-V540 WeakPolarHBondContact O-CG2 3.46Å; C537-V540 PolarHBondContact O-N 3.17Å; C537-L579 WeakPolarHBondContact CA-O 3.47Å; C537-L579 PolarHBondContact N-O 3.15Å; C537-C580 HydrophobicContact CB-CB 3.57Å; C537-C580 WeakPolarHBondContact CB-SG 3.49Å; C537-C580 WeakPolarHBondContact SG-CB 3.31Å; C537-C580 CovalentContact SG-SG 2.04Å; C537-C580 PolarHBondContact SG-SG 3.12Å
538	D	85.3	Confident	88.6	Confident	121 Å²	121	41 Å²	41	65%	0.647	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-69.9	-24.6	-174.7	-59	-43.2	0	0	0	112.3	T536 V540	T536-D538 VanDerWaalsContact C-N 3.26Å; T536-D538 PolarHBondContact O-N 3.47Å; D538-V540 VanDerWaalsContact C-N 3.34Å
539	L	89.1	Confident	87.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-81.8	-9.5	177	-153.8	69	0	0	0	113.7	W533 D534 C535 T536 C537 A541 L542 K543 L571	W533-L539 HydrophobicContact CB-CD2 4.07Å; W533-L539 HydrophobicContact CE3-CD1 3.69Å; W533-L539 HydrophobicContact CZ3-CD1 4.16Å; D534-L539 WeakPolarHBondContact O-CB 3.36Å; C535-L539 HydrophobicContact CB-CD2 4.41Å; C535-L539 VanDerWaalsContact SG-CD2 3.55Å; T536-L539 PolarHBondContact O-N 2.97Å; C537-L539 VanDerWaalsContact C-N 3.25Å; C537-L539 PolarHBondContact O-N 2.86Å; L539-A541 PolarHBondContact O-N 3Å; L539-L542 HydrophobicContact CD1-CB 4.06Å; L539-L542 HydrophobicContact CD1-CD2 3.62Å; L539-L542 HydrophobicContact CD1-CG 4.48Å; L539-L542 HydrophobicContact CG-CB 4.37Å; L539-L542 HydrophobicContact CG-CD2 4.34Å; L539-L542 PolarHBondContact O-N 3.43Å; L539-L542 VanDerWaalsContact O-N 3.13Å; L539-K543 PolarHBondContact O-N 3.26Å; L539-L571 HydrophobicContact CD2-CD1 3.76Å; L539-L571 HydrophobicContact CD2-CD2 3.88Å; L539-L571 HydrophobicContact CD2-CG 4.44Å; L539-L571 HydrophobicContact CG-CD1 4.28Å; L539-L571 HydrophobicContact CG-CD2 4.06Å
540	V	88.7	Confident	86.4	Confident	19 Å²	19	43.9 Å²	43.9	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-33	177.7	176.8	0	0	0	0	111.5	C537 D538 K543 L544 N576 L579 C580	C537-V540 WeakPolarHBondContact O-CB 3.45Å; C537-V540 VanDerWaalsContact O-CG2 3.31Å; C537-V540 WeakPolarHBondContact O-CG2 3.46Å; C537-V540 PolarHBondContact O-N 3.17Å; D538-V540 VanDerWaalsContact C-N 3.34Å; V540-K543 PolarHBondContact O-N 3.42Å; V540-L544 HydrophobicContact CG1-CD1 3.98Å; V540-L544 HydrophobicContact CG1-CG 4.39Å; V540-L544 WeakPolarHBondContact O-CB 3.36Å; V540-L544 WeakPolarHBondContact O-CG 3.45Å; V540-L544 PolarHBondContact O-N 2.98Å; V540-N576 HydrophobicContact CG1-CB 4.4Å; V540-L579 HydrophobicContact CG2-CB 3.54Å; V540-L579 HydrophobicContact CG2-CD1 4.11Å; V540-L579 HydrophobicContact CG2-CG 4.43Å; V540-C580 HydrophobicContact CG2-CB 4.21Å
541	A	87.6	Confident	84.7	Confident	50 Å²	50	50 Å²	50	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-49.1	174.2	0	0	0	0	0	111.6	V513 L539 K543 L544 W545	V513-A541 HydrophobicContact CB-CB 4.45Å; V513-A541 HydrophobicContact CG2-CB 4.17Å; V513-A541 WeakPolarHBondContact CG2-O 3.47Å; L539-A541 PolarHBondContact O-N 3Å; A541-K543 VanDerWaalsContact C-N 3.33Å; A541-K543 PolarHBondContact O-N 3.23Å; A541-L544 PolarHBondContact O-N 3.2Å; A541-W545 WeakPolarHBondContact O-CB 3.03Å; A541-W545 PolarHBondContact O-N 2.87Å
542	L	89.8	Confident	82.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-43.4	177.6	-176.5	67.9	0	0	0	111.1	V513 L517 L528 W533 L539 W545 V546 L558	V513-L542 HydrophobicContact CG2-CB 4.47Å; V513-L542 HydrophobicContact CG2-CD1 4.5Å; L517-L542 HydrophobicContact CD1-CD1 3.39Å; L528-L542 HydrophobicContact CD1-CD1 4.48Å; W533-L542 HydrophobicContact CE3-CD2 4.05Å; W533-L542 HydrophobicContact CH2-CD2 3.94Å; W533-L542 HydrophobicContact CZ2-CD2 4.47Å; W533-L542 HydrophobicContact CZ3-CD2 3.7Å; L539-L542 HydrophobicContact CD1-CB 4.06Å; L539-L542 HydrophobicContact CD1-CD2 3.62Å; L539-L542 HydrophobicContact CD1-CG 4.48Å; L539-L542 HydrophobicContact CG-CB 4.37Å; L539-L542 HydrophobicContact CG-CD2 4.34Å; L539-L542 PolarHBondContact O-N 3.43Å; L539-L542 VanDerWaalsContact O-N 3.13Å; L542-W545 HydrophobicContact CD1-CE3 4.05Å; L542-W545 HydrophobicContact CD1-CZ3 4.45Å; L542-W545 PolarHBondContact O-N 2.96Å; L542-V546 HydrophobicContact CD1-CG2 4.39Å; L542-V546 HydrophobicContact CG-CG2 4.42Å; L542-V546 WeakPolarHBondContact O-CG2 3.35Å; L542-V546 PolarHBondContact O-N 3.32Å; L542-L558 HydrophobicContact CD2-CD1 4.37Å
543	K	88.1	Confident	81	Confident	11 Å²	11	53 Å²	53	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-53.5	176.2	-177.3	171.7	-172.8	-77.6	0	112.1	L539 V540 A541 W545 V546 E547 L571 L574 N576 L579	L539-K543 PolarHBondContact O-N 3.26Å; V540-K543 PolarHBondContact O-N 3.42Å; A541-K543 VanDerWaalsContact C-N 3.33Å; A541-K543 PolarHBondContact O-N 3.23Å; K543-W545 PolarHBondContact O-N 3.03Å; K543-V546 PolarHBondContact O-N 2.77Å; K543-E547 VanDerWaalsContact CE-OE1 3.28Å; K543-E547 WeakPolarHBondContact CE-OE1 3.41Å; K543-E547 IonicContact NZ-OE1 3.5Å; K543-E547 PolarHBondContact NZ-OE1 2.99Å; K543-E547 IonicContact NZ-OE2 3.68Å; K543-E547 WeakPolarHBondContact O-CB 3.1Å; K543-E547 VanDerWaalsContact O-CG 3.3Å; K543-E547 WeakPolarHBondContact O-CG 3.31Å; K543-E547 PolarHBondContact O-N 3Å; K543-L571 HydrophobicContact CB-CD1 4.13Å; K543-L571 HydrophobicContact CB-CD2 4.02Å; K543-L571 HydrophobicContact CB-CG 3.93Å; K543-L571 HydrophobicContact CD-CD1 3.98Å; K543-L571 HydrophobicContact CD-CG 4.12Å; K543-L571 WeakPolarHBondContact CD-O 3.05Å; K543-L571 WeakPolarHBondContact CE-O 2.99Å; K543-L571 HydrophobicContact CG-CD1 4.37Å; K543-L571 HydrophobicContact CG-CG 4.05Å; K543-L574 WeakPolarHBondContact CE-O 3.48Å; K543-L574 PolarHBondContact NZ-O 3.01Å; K543-N576 PolarHBondContact NZ-OD1 2.78Å; K543-L579 HydrophobicContact CD-CD1 3.52Å
544	L	87.6	Confident	79.3	Confident	87 Å²	87	56.3 Å²	56.3	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-27.5	178.7	-72.3	171.5	0	0	0	113.1	V540 A541 K548	V540-L544 HydrophobicContact CG1-CD1 3.98Å; V540-L544 HydrophobicContact CG1-CG 4.39Å; V540-L544 WeakPolarHBondContact O-CB 3.36Å; V540-L544 WeakPolarHBondContact O-CG 3.45Å; V540-L544 PolarHBondContact O-N 2.98Å; A541-L544 PolarHBondContact O-N 3.2Å; L544-K548 WeakPolarHBondContact O-CB 3.31Å; L544-K548 PolarHBondContact O-N 3.31Å
545	W	88	Confident	78.2	Confident	34 Å²	34	55.9 Å²	55.9	13%	0.129	32%	0.319	C	S	.	.	H	α-helix	trans	-72.9	-48.9	172.6	-179.8	84.9	0	0	0	111.3	V513 L517 L523 I526 A541 L542 K543 E547 K548 L549	V513-W545 HydrophobicContact CB-CB 4.47Å; V513-W545 HydrophobicContact CG1-CB 3.97Å; V513-W545 HydrophobicContact CG1-CG 3.84Å; V513-W545 HydrophobicContact CG2-CB 3.61Å; V513-W545 HydrophobicContact CG2-CG 3.99Å; L517-W545 HydrophobicContact CB-CD2 4.15Å; L517-W545 HydrophobicContact CB-CH2 4.13Å; L517-W545 HydrophobicContact CB-CZ2 3.72Å; L517-W545 HydrophobicContact CD1-CD2 4.29Å; L517-W545 HydrophobicContact CD1-CE3 3.95Å; L517-W545 HydrophobicContact CD1-CH2 4.29Å; L517-W545 HydrophobicContact CD1-CZ3 3.95Å; L517-W545 HydrophobicContact CD2-CH2 4.09Å; L517-W545 HydrophobicContact CD2-CZ2 4.43Å; L517-W545 HydrophobicContact CD2-CZ3 4.46Å; L517-W545 HydrophobicContact CG-CH2 4.41Å; L517-W545 HydrophobicContact CG-CZ2 4.48Å; L517-W545 PolarHBondContact O-NE1 2.8Å; L523-W545 HydrophobicContact CD2-CH2 3.82Å; L523-W545 HydrophobicContact CD2-CZ2 3.98Å; I526-W545 HydrophobicContact CD1-CH2 3.91Å; I526-W545 HydrophobicContact CD1-CZ3 4.29Å; I526-W545 HydrophobicContact CG2-CH2 4.22Å; I526-W545 HydrophobicContact CG2-CZ3 4.45Å; A541-W545 WeakPolarHBondContact O-CB 3.03Å; A541-W545 PolarHBondContact O-N 2.87Å; L542-W545 HydrophobicContact CD1-CE3 4.05Å; L542-W545 HydrophobicContact CD1-CZ3 4.45Å; L542-W545 PolarHBondContact O-N 2.96Å; K543-W545 PolarHBondContact O-N 3.03Å; W545-E547 VanDerWaalsContact C-N 3.26Å; W545-E547 PolarHBondContact O-N 2.95Å; W545-K548 CarbonylContact O-C 3.27Å; W545-K548 WeakPolarHBondContact O-CA 3.34Å; W545-K548 PolarHBondContact O-N 3.31Å; W545-L549 HydrophobicContact CD2-CD1 4.47Å; W545-L549 HydrophobicContact CD2-CD2 4.44Å; W545-L549 HydrophobicContact CD2-CG 4.44Å; W545-L549 HydrophobicContact CE3-CD1 4.06Å; W545-L549 HydrophobicContact CE3-CG 4.49Å; W545-L549 HydrophobicContact CH2-CD1 3.92Å; W545-L549 HydrophobicContact CH2-CD2 4.27Å; W545-L549 HydrophobicContact CZ2-CD1 4.33Å; W545-L549 HydrophobicContact CZ2-CD2 3.86Å; W545-L549 HydrophobicContact CZ3-CD1 3.78Å; W545-L549 WeakPolarHBondContact O-CG 3.48Å; W545-L549 PolarHBondContact O-N 3.32Å
546	V	86.5	Confident	77.2	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.055	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-30.1	176.3	174.7	0	0	0	0	112.6	L542 K543 K548 V555 L558	L542-V546 HydrophobicContact CD1-CG2 4.39Å; L542-V546 HydrophobicContact CG-CG2 4.42Å; L542-V546 WeakPolarHBondContact O-CG2 3.35Å; L542-V546 PolarHBondContact O-N 3.32Å; K543-V546 PolarHBondContact O-N 2.77Å; V546-K548 VanDerWaalsContact C-N 3.31Å; V546-V555 HydrophobicContact CG1-CG1 4.15Å; V546-L558 HydrophobicContact CG2-CD1 4.07Å
547	E	84.2	Confident	76.6	Confident	87 Å²	87	59.6 Å²	59.6	41%	0.407	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.9	172	-72.7	170.9	169.6	0	0	113.8	K543 W545	K543-E547 VanDerWaalsContact CE-OE1 3.28Å; K543-E547 WeakPolarHBondContact CE-OE1 3.41Å; K543-E547 IonicContact NZ-OE1 3.5Å; K543-E547 PolarHBondContact NZ-OE1 2.99Å; K543-E547 IonicContact NZ-OE2 3.68Å; K543-E547 WeakPolarHBondContact O-CB 3.1Å; K543-E547 VanDerWaalsContact O-CG 3.3Å; K543-E547 WeakPolarHBondContact O-CG 3.31Å; K543-E547 PolarHBondContact O-N 3Å; W545-E547 VanDerWaalsContact C-N 3.26Å; W545-E547 PolarHBondContact O-N 2.95Å
548	K	82.1	Confident	76.6	Confident	181 Å²	181	57.5 Å²	57.5	79%	0.787	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-16.7	-179.7	-175.3	-178.1	173.5	-164.5	0	113	L544 W545 V546 S550	L544-K548 WeakPolarHBondContact O-CB 3.31Å; L544-K548 PolarHBondContact O-N 3.31Å; W545-K548 CarbonylContact O-C 3.27Å; W545-K548 WeakPolarHBondContact O-CA 3.34Å; W545-K548 PolarHBondContact O-N 3.31Å; V546-K548 VanDerWaalsContact C-N 3.31Å; K548-S550 PolarHBondContact O-N 2.89Å
549	L	77.6	Confident	76.8	Confident	33 Å²	33	55.8 Å²	55.8	17%	0.173	30%	0.304	C	S	.	.	S	Bend	trans	-58.3	129.4	168.6	-66.7	174.8	0	0	0	108.9	W545 I553 V555	W545-L549 HydrophobicContact CD2-CD1 4.47Å; W545-L549 HydrophobicContact CD2-CD2 4.44Å; W545-L549 HydrophobicContact CD2-CG 4.44Å; W545-L549 HydrophobicContact CE3-CD1 4.06Å; W545-L549 HydrophobicContact CE3-CG 4.49Å; W545-L549 HydrophobicContact CH2-CD1 3.92Å; W545-L549 HydrophobicContact CH2-CD2 4.27Å; W545-L549 HydrophobicContact CZ2-CD1 4.33Å; W545-L549 HydrophobicContact CZ2-CD2 3.86Å; W545-L549 HydrophobicContact CZ3-CD1 3.78Å; W545-L549 WeakPolarHBondContact O-CG 3.48Å; W545-L549 PolarHBondContact O-N 3.32Å; L549-I553 HydrophobicContact CB-CB 4.39Å; L549-I553 HydrophobicContact CB-CD1 4.28Å; L549-I553 HydrophobicContact CD1-CG2 4.18Å; L549-I553 HydrophobicContact CD2-CD1 3.78Å; L549-V555 HydrophobicContact CD1-CG2 3.64Å
550	S	55.6	Low	76.8	Confident	80 Å²	80	55.8 Å²	55.8	56%	0.559	31%	0.305	S	S	*	.			trans	-61.8	145.4	176.3	49	0	0	0	0	111.3	K548 G552 I553	K548-S550 PolarHBondContact O-N 2.89Å; S550-G552 PolarHBondContact O-N 2.93Å; S550-I553 PolarHBondContact O-N 2.8Å
551	D	52	Low	76.9	Confident	175 Å²	175	60.4 Å²	60.4	94%	0.936	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-16.8	-171.9	-62.8	-68.7	0	0	0	116.1	I553	D551-I553 VanDerWaalsContact C-N 3.32Å
552	G	47.2	Very low	76.9	Confident	55 Å²	55	60.6 Å²	60.6	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-8	172.1	0	0	0	0	0	115.8	S550	S550-G552 PolarHBondContact O-N 2.93Å
553	I	61.7	Low	76.6	Confident	30 Å²	30	62.6 Å²	62.6	15%	0.154	33%	0.334	C	S	.	.	S	Bend	trans	-92.9	110.3	178.3	-60.5	175.3	0	0	0	109.2	L523 T524 L549 S550 D551 V555	L523-I553 WeakPolarHBondContact O-CD1 3.33Å; T524-I553 WeakPolarHBondContact O-CA 3.31Å; L549-I553 HydrophobicContact CB-CB 4.39Å; L549-I553 HydrophobicContact CB-CD1 4.28Å; L549-I553 HydrophobicContact CD1-CG2 4.18Å; L549-I553 HydrophobicContact CD2-CD1 3.78Å; S550-I553 PolarHBondContact O-N 2.8Å; D551-I553 VanDerWaalsContact C-N 3.32Å; I553-V555 HydrophobicContact CG2-CG2 4.05Å; I553-V555 PolarHBondContact O-N 2.97Å
554	V	57.2	Low	76.4	Confident	72 Å²	72	68.3 Å²	68.3	44%	0.436	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-72.5	103.8	-176	-177.9	0	0	0	0	110.1	T524 Q525 I526	T524-V554 PolarHBondContact O-N 3.1Å; Q525-V554 HydrophobicContact CG-CB 4.4Å; I526-V554 PolarHBondContact N-O 3.28Å
555	V	70.1	Confident	76.2	Confident	30 Å²	30	71.6 Å²	71.6	18%	0.182	38%	0.383	C	S	.	.			trans	-119.9	119.6	172.7	-169.6	0	0	0	0	109.6	I526 V546 L549 I553	I526-V555 HydrophobicContact CG2-CG2 3.67Å; V546-V555 HydrophobicContact CG1-CG1 4.15Å; L549-V555 HydrophobicContact CD1-CG2 3.64Å; I553-V555 HydrophobicContact CG2-CG2 4.05Å; I553-V555 PolarHBondContact O-N 2.97Å
556	K	67.3	Low	76	Confident	65 Å²	65	71.8 Å²	71.8	28%	0.283	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-73.4	166.5	177.4	-64.4	-177.8	-175	161.8	0	112.5	D527 E529 L558	D527-K556 WeakPolarHBondContact OD2-CE 3.43Å; D527-K556 IonicContact OD2-NZ 3.2Å; D527-K556 PolarHBondContact OD2-NZ 3.23Å; E529-K556 HydrophobicContact CB-CB 4.48Å; E529-K556 HydrophobicContact CB-CD 4.47Å; E529-K556 WeakPolarHBondContact OE2-CD 3.5Å; E529-K556 IonicContact OE2-NZ 2.67Å; E529-K556 PolarHBondContact OE2-NZ 3.42Å; K556-L558 WeakPolarHBondContact O-CD2 3.4Å; K556-L558 PolarHBondContact O-N 3.02Å
557	E	76.8	Confident	75.9	Confident	57 Å²	57	73.1 Å²	73.1	27%	0.266	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-57	120.4	-179.5	-65.8	171.9	179.2	0	0	112.5	N68 N92 K559 E570	N68-E557 PolarHBondContact ND2-OE1 3.35Å; N68-E557 PolarHBondContact OD1-OE1 3.18Å; N92-E557 PolarHBondContact ND2-OE1 2.88Å; E557-K559 WeakPolarHBondContact OE2-CE 3.43Å; E557-K559 IonicContact OE2-NZ 2.73Å; E557-K559 PolarHBondContact OE2-NZ 2.98Å; E557-E570 HydrophobicContact CB-CG 4.38Å
558	L	87.3	Confident	75.8	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.058	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-92.4	118	174.4	-50.1	-172.5	0	0	0	109.4	L528 L542 V546 K556 E570 L571	L528-L558 HydrophobicContact CB-CD2 3.48Å; L528-L558 VanDerWaalsContact CB-CD2 3.48Å; L528-L558 HydrophobicContact CD1-CD1 4.2Å; L528-L558 HydrophobicContact CD1-CD2 4.39Å; L542-L558 HydrophobicContact CD2-CD1 4.37Å; V546-L558 HydrophobicContact CG2-CD1 4.07Å; K556-L558 WeakPolarHBondContact O-CD2 3.4Å; K556-L558 PolarHBondContact O-N 3.02Å; L558-E570 CarbonylContact O-C 3.53Å; L558-E570 VanDerWaalsContact O-CA 3.28Å; L558-E570 WeakPolarHBondContact O-CA 3.38Å; L558-L571 HydrophobicContact CB-CB 4.14Å; L558-L571 HydrophobicContact CD1-CD2 4.2Å; L558-L571 PolarHBondContact O-N 3.01Å
559	K	88.3	Confident	76	Confident	84 Å²	84	69.9 Å²	69.9	37%	0.365	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-109.4	130.5	-177.6	-71.9	169.3	-172.9	172.8	0	110.1	E557 I569 E570	E557-K559 WeakPolarHBondContact OE2-CE 3.43Å; E557-K559 IonicContact OE2-NZ 2.73Å; E557-K559 PolarHBondContact OE2-NZ 2.98Å; K559-I569 WeakPolarHBondContact CA-O 3.47Å; K559-E570 HydrophobicContact CD-CG 4.47Å; K559-E570 VanDerWaalsContact CE-OE1 3.23Å; K559-E570 WeakPolarHBondContact CE-OE1 3.29Å; K559-E570 HydrophobicContact CG-CG 3.81Å; K559-E570 IonicContact NZ-OE1 2.72Å
560	C	90.2	Very high	76.3	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.014	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	140.3	176.5	-57.3	0	0	0	0	110.4	C535 F566 A567 N568 I569 L574	C535-C560 HydrophobicContact CB-CB 3.74Å; C535-C560 WeakPolarHBondContact CB-SG 3.26Å; C535-C560 WeakPolarHBondContact SG-CB 3.26Å; C535-C560 CovalentContact SG-SG 2.02Å; C535-C560 PolarHBondContact SG-SG 3.14Å; C560-F566 HydrophobicContact CB-CB 4.34Å; C560-F566 VanDerWaalsContact CB-O 3.26Å; C560-F566 WeakPolarHBondContact CB-O 3.44Å; C560-A567 CarbonylContact O-C 3.47Å; C560-A567 WeakPolarHBondContact O-CA 3.15Å; C560-N568 PolarHBondContact O-N 3.09Å; C560-I569 WeakPolarHBondContact CB-O 3.36Å; C560-I569 PolarHBondContact N-O 3.1Å; C560-I569 PolarHBondContact SG-O 3.44Å; C560-I569 VanDerWaalsContact SG-O 3.36Å; C560-L574 VanDerWaalsContact SG-CD1 3.55Å
561	E	90.4	Very high	77.8	Confident	116 Å²	116	66.1 Å²	66.1	54%	0.542	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-38	169.3	-167.6	174	139.9	0	0	111.1	P532 W533	P532-E561 WeakPolarHBondContact CA-OE2 3.44Å; P532-E561 HydrophobicContact CB-CB 4.23Å; P532-E561 HydrophobicContact CB-CG 4.5Å; P532-E561 VanDerWaalsContact CB-OE2 3.27Å; P532-E561 WeakPolarHBondContact CB-OE2 3.13Å; W533-E561 PolarHBondContact O-N 3.01Å
562	T	86.3	Confident	79.2	Confident	54 Å²	54	64.1 Å²	64.1	33%	0.331	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.3	172.7	54.9	0	0	0	0	111.6	W533 D534 C535	W533-T562 PolarHBondContact O-N 2.9Å; W533-T562 VanDerWaalsContact O-N 3.16Å; D534-T562 CarbonylContact C-O 3.11Å; D534-T562 WeakPolarHBondContact CA-O 3.46Å; D534-T562 VanDerWaalsContact CA-OG1 3.3Å; D534-T562 WeakPolarHBondContact CA-OG1 3.19Å; D534-T562 VanDerWaalsContact CB-OG1 3.26Å; D534-T562 WeakPolarHBondContact CB-OG1 3.42Å; D534-T562 VanDerWaalsContact OD1-CB 3.27Å; D534-T562 WeakPolarHBondContact OD1-CB 3.26Å; D534-T562 PolarHBondContact OD1-OG1 2.97Å; C535-T562 PolarHBondContact N-O 3.34Å
563	P	83.8	Confident	80.9	Confident	41 Å²	41	65.2 Å²	65.2	27%	0.266	34%	0.344	S	S	.	.	S	Bend	cis	-63.1	157.3	-19.7	30.6	-36.2	0	0	0	111.2	Q565 F566 A567	P563-Q565 PolarHBondContact O-N 2.85Å; P563-F566 HydrophobicContact CG-CD2 3.75Å; P563-F566 HydrophobicContact CG-CE2 4.05Å; P563-F566 PolarHBondContact O-N 3.13Å; P563-A567 PolarHBondContact O-N 2.85Å
564	V	84.5	Confident	81.9	Confident	131 Å²	131	64.4 Å²	64.4	79%	0.794	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-54.6	-19.1	-176	-85.7	0	0	0	0	115.5	F566	V564-F566 PolarHBondContact O-N 2.94Å
565	Q	82.9	Confident	83.1	Confident	157 Å²	157	67.1 Å²	67.1	73%	0.734	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.9	173.2	-64	177.7	-0.7	0	0	113.4	P563	P563-Q565 PolarHBondContact O-N 2.85Å
566	F	84.3	Confident	83.7	Confident	37 Å²	37	68.1 Å²	68.1	16%	0.162	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-117.4	8.8	-180	-49.5	-45.3	0	0	0	112.9	C560 P563 V564 N568 I569 L574 I578	C560-F566 HydrophobicContact CB-CB 4.34Å; C560-F566 VanDerWaalsContact CB-O 3.26Å; C560-F566 WeakPolarHBondContact CB-O 3.44Å; P563-F566 HydrophobicContact CG-CD2 3.75Å; P563-F566 HydrophobicContact CG-CE2 4.05Å; P563-F566 PolarHBondContact O-N 3.13Å; V564-F566 PolarHBondContact O-N 2.94Å; F566-N568 PolarHBondContact O-N 3.33Å; F566-I569 HydrophobicContact CB-CD1 4.4Å; F566-I569 HydrophobicContact CD1-CD1 4.35Å; F566-I569 VanDerWaalsContact O-CB 3.24Å; F566-I569 WeakPolarHBondContact O-CB 3.19Å; F566-I569 WeakPolarHBondContact O-CG1 3.34Å; F566-I569 PolarHBondContact O-N 3.41Å; F566-L574 HydrophobicContact CB-CD1 4.26Å; F566-L574 HydrophobicContact CD1-CD2 4.07Å; F566-L574 HydrophobicContact CG-CD1 4.34Å; F566-L574 HydrophobicContact CG-CD2 4.31Å; F566-I578 HydrophobicContact CE1-CG2 3.8Å; F566-I578 HydrophobicContact CE2-CG2 4.16Å; F566-I578 HydrophobicContact CZ-CG2 3.39Å
567	A	84.3	Confident	84.2	Confident	37 Å²	37	70.7 Å²	70.7	31%	0.306	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	133.9	-178.4	0	0	0	0	0	112.2	C560 P563 I569	C560-A567 CarbonylContact O-C 3.47Å; C560-A567 WeakPolarHBondContact O-CA 3.15Å; P563-A567 PolarHBondContact O-N 2.85Å; A567-I569 PolarHBondContact O-N 3.41Å
568	N	82.8	Confident	84.3	Confident	136 Å²	136	72 Å²	72	73%	0.727	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	5.3	-171.8	-55.2	-73.5	0	0	0	116.2	C560 F566	C560-N568 PolarHBondContact O-N 3.09Å; F566-N568 PolarHBondContact O-N 3.33Å
569	I	84.8	Confident	83.9	Confident	65 Å²	65	71.8 Å²	71.8	33%	0.333	37%	0.371	S	S	.	.			trans	-79.8	143.5	170.7	-55	-174.2	0	0	0	109.5	K559 C560 F566 A567 S573 L574	K559-I569 WeakPolarHBondContact CA-O 3.47Å; C560-I569 WeakPolarHBondContact CB-O 3.36Å; C560-I569 PolarHBondContact N-O 3.1Å; C560-I569 PolarHBondContact SG-O 3.44Å; C560-I569 VanDerWaalsContact SG-O 3.36Å; F566-I569 HydrophobicContact CB-CD1 4.4Å; F566-I569 HydrophobicContact CD1-CD1 4.35Å; F566-I569 VanDerWaalsContact O-CB 3.24Å; F566-I569 WeakPolarHBondContact O-CB 3.19Å; F566-I569 WeakPolarHBondContact O-CG1 3.34Å; F566-I569 PolarHBondContact O-N 3.41Å; A567-I569 PolarHBondContact O-N 3.41Å; I569-S573 VanDerWaalsContact CG2-OG 3.22Å; I569-S573 WeakPolarHBondContact CG2-OG 3.13Å; I569-L574 HydrophobicContact CG2-CD2 3.85Å; I569-L574 HydrophobicContact CG2-CG 4.05Å
570	E	85.6	Confident	83.6	Confident	29 Å²	29	68.2 Å²	68.2	14%	0.136	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-79.6	135.2	177.8	-79.3	146.6	-149.2	0	0	112.5	K45 E557 L558 K559 K572 S573	K45-E570 WeakPolarHBondContact CE-OE1 3.39Å; K45-E570 IonicContact NZ-OE1 3.15Å; K45-E570 PolarHBondContact NZ-OE1 2.99Å; K45-E570 IonicContact NZ-OE2 2.65Å; K45-E570 PolarHBondContact NZ-OE2 2.96Å; E557-E570 HydrophobicContact CB-CG 4.38Å; L558-E570 CarbonylContact O-C 3.53Å; L558-E570 VanDerWaalsContact O-CA 3.28Å; L558-E570 WeakPolarHBondContact O-CA 3.38Å; K559-E570 HydrophobicContact CD-CG 4.47Å; K559-E570 VanDerWaalsContact CE-OE1 3.23Å; K559-E570 WeakPolarHBondContact CE-OE1 3.29Å; K559-E570 HydrophobicContact CG-CG 3.81Å; K559-E570 IonicContact NZ-OE1 2.72Å; E570-K572 VanDerWaalsContact C-N 3.29Å; E570-K572 PolarHBondContact O-N 3.1Å; E570-S573 WeakPolarHBondContact O-CB 3.48Å; E570-S573 PolarHBondContact O-N 3.1Å; E570-S573 PolarHBondContact O-OG 3.01Å
571	L	85.9	Confident	82.6	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.026	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-55.4	-41.9	-176.7	-177.3	58.3	0	0	0	112.5	L539 K543 L558 S573 L574 L579	L539-L571 HydrophobicContact CD2-CD1 3.76Å; L539-L571 HydrophobicContact CD2-CD2 3.88Å; L539-L571 HydrophobicContact CD2-CG 4.44Å; L539-L571 HydrophobicContact CG-CD1 4.28Å; L539-L571 HydrophobicContact CG-CD2 4.06Å; K543-L571 HydrophobicContact CB-CD1 4.13Å; K543-L571 HydrophobicContact CB-CD2 4.02Å; K543-L571 HydrophobicContact CB-CG 3.93Å; K543-L571 HydrophobicContact CD-CD1 3.98Å; K543-L571 HydrophobicContact CD-CG 4.12Å; K543-L571 WeakPolarHBondContact CD-O 3.05Å; K543-L571 WeakPolarHBondContact CE-O 2.99Å; K543-L571 HydrophobicContact CG-CD1 4.37Å; K543-L571 HydrophobicContact CG-CG 4.05Å; L558-L571 HydrophobicContact CB-CB 4.14Å; L558-L571 HydrophobicContact CD1-CD2 4.2Å; L558-L571 PolarHBondContact O-N 3.01Å; L571-S573 PolarHBondContact O-N 2.75Å; L571-L574 PolarHBondContact O-N 3.46Å; L571-L579 HydrophobicContact CD1-CD1 4.24Å; L571-L579 HydrophobicContact CD1-CD2 4.41Å
572	K	82.4	Confident	81.1	Confident	133 Å²	133	74.7 Å²	74.7	58%	0.578	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.9	177.2	-70.6	-172.2	175.4	-175.6	0	113	E570	E570-K572 VanDerWaalsContact C-N 3.29Å; E570-K572 PolarHBondContact O-N 3.1Å
573	S	82.6	Confident	79.7	Confident	77 Å²	77	78.8 Å²	78.8	54%	0.538	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-78.7	-21.9	-177.6	75.1	0	0	0	0	114.1	I569 E570 L571	I569-S573 VanDerWaalsContact CG2-OG 3.22Å; I569-S573 WeakPolarHBondContact CG2-OG 3.13Å; E570-S573 WeakPolarHBondContact O-CB 3.48Å; E570-S573 PolarHBondContact O-N 3.1Å; E570-S573 PolarHBondContact O-OG 3.01Å; L571-S573 PolarHBondContact O-N 2.75Å
574	L	82.8	Confident	78	Confident	14 Å²	14	82.9 Å²	82.9	7%	0.073	43%	0.428	C	S	.	.	S	Bend	trans	-76.1	140.8	-178.1	-67.1	174.5	0	0	0	111.4	C535 K543 C560 F566 I569 L571 L579	C535-L574 HydrophobicContact CB-CD1 3.95Å; K543-L574 WeakPolarHBondContact CE-O 3.48Å; K543-L574 PolarHBondContact NZ-O 3.01Å; C560-L574 VanDerWaalsContact SG-CD1 3.55Å; F566-L574 HydrophobicContact CB-CD1 4.26Å; F566-L574 HydrophobicContact CD1-CD2 4.07Å; F566-L574 HydrophobicContact CG-CD1 4.34Å; F566-L574 HydrophobicContact CG-CD2 4.31Å; I569-L574 HydrophobicContact CG2-CD2 3.85Å; I569-L574 HydrophobicContact CG2-CG 4.05Å; L571-L574 PolarHBondContact O-N 3.46Å; L574-L579 HydrophobicContact CB-CD1 4.08Å; L574-L579 HydrophobicContact CB-CD2 4.34Å; L574-L579 HydrophobicContact CB-CG 4.11Å; L574-L579 HydrophobicContact CD1-CD2 3.79Å; L574-L579 HydrophobicContact CD1-CG 4.45Å
575	K	82.2	Confident	76	Confident	129 Å²	129	83 Å²	83	56%	0.561	43%	0.425	S	S	*	.			trans	-78.7	141.6	171.8	-65.7	-172.4	177.3	-174.1	0	110.7	E577 I578 L579	K575-E577 PolarHBondContact O-N 2.65Å; K575-E577 VanDerWaalsContact O-N 3.15Å; K575-I578 HydrophobicContact CB-CD1 3.94Å; K575-I578 HydrophobicContact CB-CG1 4.08Å; K575-I578 HydrophobicContact CG-CD1 4.36Å; K575-I578 WeakPolarHBondContact O-CB 3.25Å; K575-I578 PolarHBondContact O-N 2.97Å; K575-L579 PolarHBondContact O-N 3.46Å; K575-L579 VanDerWaalsContact O-N 3.14Å
576	N	82.1	Confident	73.7	Confident	51 Å²	51	84.6 Å²	84.6	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-28.4	179.5	-57.6	-1.2	0	0	0	112	V540 K543 C580	V540-N576 HydrophobicContact CG1-CB 4.4Å; K543-N576 PolarHBondContact NZ-OD1 2.78Å; N576-C580 PolarHBondContact O-N 3.06Å
577	E	77.8	Confident	71.5	Confident	119 Å²	119	88.6 Å²	88.6	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-63.9	-35.4	172.6	-61.7	163.9	168.7	0	0	113.2	K575 C580 P581	K575-E577 PolarHBondContact O-N 2.65Å; K575-E577 VanDerWaalsContact O-N 3.15Å; E577-C580 CarbonylContact O-C 2.98Å; E577-P581 WeakPolarHBondContact O-CA 3.07Å
578	I	78.8	Confident	69.2	Low	84 Å²	84	92.7 Å²	92.7	43%	0.431	49%	0.485	S	S	.	.	H	α-helix	trans	-78.8	-41.6	-180	-60.5	170.7	0	0	0	109.8	F566 K575	F566-I578 HydrophobicContact CE1-CG2 3.8Å; F566-I578 HydrophobicContact CE2-CG2 4.16Å; F566-I578 HydrophobicContact CZ-CG2 3.39Å; K575-I578 HydrophobicContact CB-CD1 3.94Å; K575-I578 HydrophobicContact CB-CG1 4.08Å; K575-I578 HydrophobicContact CG-CD1 4.36Å; K575-I578 WeakPolarHBondContact O-CB 3.25Å; K575-I578 PolarHBondContact O-N 2.97Å
579	L	79.5	Confident	66.9	Low	7 Å²	7	90.3 Å²	90.3	4%	0.037	48%	0.484	C	S	.	.	H	α-helix	trans	-63.7	-38.9	174.5	-69	164.1	0	0	0	112	C535 T536 C537 V540 K543 L571 L574 K575	C535-L579 HydrophobicContact CB-CD2 3.75Å; C535-L579 WeakPolarHBondContact O-CD2 3.17Å; T536-L579 CarbonylContact C-O 3.45Å; T536-L579 VanDerWaalsContact C-O 3.29Å; C537-L579 WeakPolarHBondContact CA-O 3.47Å; C537-L579 PolarHBondContact N-O 3.15Å; V540-L579 HydrophobicContact CG2-CB 3.54Å; V540-L579 HydrophobicContact CG2-CD1 4.11Å; V540-L579 HydrophobicContact CG2-CG 4.43Å; K543-L579 HydrophobicContact CD-CD1 3.52Å; L571-L579 HydrophobicContact CD1-CD1 4.24Å; L571-L579 HydrophobicContact CD1-CD2 4.41Å; L574-L579 HydrophobicContact CB-CD1 4.08Å; L574-L579 HydrophobicContact CB-CD2 4.34Å; L574-L579 HydrophobicContact CB-CG 4.11Å; L574-L579 HydrophobicContact CD1-CD2 3.79Å; L574-L579 HydrophobicContact CD1-CG 4.45Å; K575-L579 PolarHBondContact O-N 3.46Å; K575-L579 VanDerWaalsContact O-N 3.14Å
580	C	81.5	Confident	65.1	Low	8 Å²	8	92.7 Å²	92.7	5%	0.054	50%	0.504	C	S	.	.			trans	-134.2	77.7	-179.1	-160	0	0	0	0	114	C537 V540 N576 E577 K582 L583	C537-C580 HydrophobicContact CB-CB 3.57Å; C537-C580 WeakPolarHBondContact CB-SG 3.49Å; C537-C580 WeakPolarHBondContact SG-CB 3.31Å; C537-C580 CovalentContact SG-SG 2.04Å; C537-C580 PolarHBondContact SG-SG 3.12Å; V540-C580 HydrophobicContact CG2-CB 4.21Å; N576-C580 PolarHBondContact O-N 3.06Å; E577-C580 CarbonylContact O-C 2.98Å; C580-K582 PolarHBondContact O-N 3.03Å; C580-L583 HydrophobicContact CB-CD1 4.34Å; C580-L583 PolarHBondContact O-N 3.2Å
581	P	68.4	Low	62.5	Low	80 Å²	80	101.2 Å²	101.2	52%	0.519	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-63.7	-12.7	-179.8	24.8	-35.1	0	0	0	114.2	E577 L583 L584	E577-P581 WeakPolarHBondContact O-CA 3.07Å; P581-L583 PolarHBondContact O-N 3.09Å; P581-L584 PolarHBondContact O-N 3.44Å
582	K	60.6	Low	59.9	Low	174 Å²	174	106.9 Å²	106.9	76%	0.757	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-65.5	-20.4	176.3	-68.7	-179.8	-178.8	171.9	0	113.5	C580 L584 N585	C580-K582 PolarHBondContact O-N 3.03Å; K582-L584 PolarHBondContact O-N 3.02Å; K582-N585 PolarHBondContact O-N 3.15Å
583	L	55.2	Low	57.5	Low	140 Å²	140	105.9 Å²	105.9	73%	0.733	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-66.5	-20	175.8	-77	165.8	0	0	0	113.8	C580 P581	C580-L583 HydrophobicContact CB-CD1 4.34Å; C580-L583 PolarHBondContact O-N 3.2Å; P581-L583 PolarHBondContact O-N 3.09Å
584	L	48.9	Very low	55.5	Low	127 Å²	127	107.9 Å²	107.9	67%	0.665	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-85.5	-19.6	176.5	-78.3	150	0	0	0	113.4	P581 K582 K586	P581-L584 PolarHBondContact O-N 3.44Å; K582-L584 PolarHBondContact O-N 3.02Å; L584-K586 PolarHBondContact O-N 2.73Å; L584-K586 VanDerWaalsContact O-N 3.07Å
585	N	42.9	Very low	53.1	Low	134 Å²	134	111.4 Å²	111.4	72%	0.717	63%	0.628	S	S	*	*			trans	-90.2	69.3	-170.3	-80	-10.3	0	0	0	113.5	K582 P587	K582-N585 PolarHBondContact O-N 3.15Å; N585-P587 WeakPolarHBondContact O-CD 3.3Å
586	K	34	Very low	51	Low	191 Å²	191	111.7 Å²	111.7	83%	0.83	64%	0.643	S	S	*	*			trans	-103	89	154.1	-173.4	179.6	178.2	-179	0	109.5	L584 S588	L584-K586 PolarHBondContact O-N 2.73Å; L584-K586 VanDerWaalsContact O-N 3.07Å; K586-S588 PolarHBondContact O-N 3.01Å
587	P	39.3	Very low	48.5	Very low	121 Å²	121	113.6 Å²	113.6	79%	0.786	67%	0.666	S	S	*	*			trans	-67.9	131.9	-178.2	27.8	-34.4	0	0	0	111.6	N585	N585-P587 WeakPolarHBondContact O-CD 3.3Å
588	S	34.8	Very low	46.3	Very low	122 Å²	122	115.9 Å²	115.9	85%	0.853	68%	0.68	S	S	*	*			trans	-113.4	90.6	177.7	57.5	0	0	0	0	111.2	K586	K586-S588 PolarHBondContact O-N 3.01Å
589	A	34.9	Very low	43.8	Very low	86 Å²	86	116.8 Å²	116.8	71%	0.711	69%	0.69	S	S	*	*			trans	-154.5	143.1	166.4	0	0	0	0	0	110.4
590	P	46.5	Very low	41.4	Very low	116 Å²	116	125.2 Å²	125.2	75%	0.753	73%	0.726	S	S	*	*			trans	-94.6	145.3	179.9	36	-32.7	0	0	0	112.6
591	F	31.5	Very low	38.8	Very low	208 Å²	208	130.9 Å²	130.9	91%	0.912	76%	0.761	S	S	*	*			trans	-143.7	162.1	162.2	-89.7	-73.2	0	0	0	111.6
592	T	30.5	Very low	37.2	Very low	124 Å²	124	133.1 Å²	133.1	76%	0.761	77%	0.773	S	S	*	*			trans	-115.9	133.2	-153	-18	0	0	0	0	113.3
593	S	32.7	Very low	36.3	Very low	111 Å²	111	130.2 Å²	130.2	78%	0.776	77%	0.772	S	S	*	*			trans	56.1	172.3	157.4	66.9	0	0	0	0	119.1
594	P	41.7	Very low	35.2	Very low	120 Å²	120	131.5 Å²	131.5	78%	0.779	78%	0.779	S	S	*	*			cis	-116.4	175.4	-41.6	31.6	-16.6	0	0	0	112.5
595	A	32.3	Very low	34.4	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	78%	0.782	S	S	*	*			trans	-75.8	167.2	170.9	0	0	0	0	0	112.6
596	P	37.6	Very low	34.3	Very low	135 Å²	135	128.7 Å²	128.7	88%	0.877	79%	0.788	S	S	*	*				-128.4	174.1	99.8	38.2	-32.8	0	0	0	113.5
597	A	29.1	Very low	34.4	Very low	91 Å²	91	127.7 Å²	127.7	75%	0.752	79%	0.791	S	S	*	*			trans	-123.4	155.4	-170.5	0	0	0	0	0	113.3
598	I	32.3	Very low	34.2	Very low	166 Å²	166	133.5 Å²	133.5	85%	0.851	80%	0.797	S	S	*	*			trans	-129.7	135.9	156.4	-61.2	-177.7	0	0	0	107.6
599	T	26.3	Very low	34.2	Very low	104 Å²	104	132.9 Å²	132.9	64%	0.638	79%	0.792	S	S	*	*			trans	-85.9	159.1	-177.4	48.4	0	0	0	0	112.7
600	F	29	Very low	34.5	Very low	183 Å²	183	134.2 Å²	134.2	80%	0.803	79%	0.794	S	S	*	*				-173	123.4	113.4	-97.6	-64.2	0	0	0	114.2
601	T	27.2	Very low	34.5	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	80%	0.801	S	S	*	*			trans	56.7	120.6	151.1	41.9	0	0	0	0	123.8
602	T	33.8	Very low	35.5	Very low	126 Å²	126	129.3 Å²	129.3	77%	0.773	80%	0.798	S	S	*	*			trans	-63.9	168.6	163.6	19.1	0	0	0	0	114.7
603	P	42.3	Very low	36.7	Very low	113 Å²	113	126.3 Å²	126.3	73%	0.734	79%	0.792	S	S	*	*				-147	157.4	50.4	37.9	-15.7	0	0	0	121.7
604	L	30.9	Very low	37.7	Very low	168 Å²	168	127.1 Å²	127.1	88%	0.88	79%	0.794	S	S	*	*			trans	28.7	130	149.8	-74.2	66.7	0	0	0	119.1
605	G	31.9	Very low	38.7	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	78%	0.784	S	S	*	*			cis	155.6	-170.1	5.4	0	0	0	0	0	109.5
606	P	41.8	Very low	40.3	Very low	130 Å²	130	125 Å²	125	84%	0.844	77%	0.771	S	S	*	*			cis	-111.8	163.7	-15.2	39.6	-28.6	0	0	0	113
607	I	35.3	Very low	41.5	Very low	171 Å²	171	124.6 Å²	124.6	88%	0.877	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-94.5	147.1	176.1	-69.6	175	0	0	0	111.1
608	R	35.6	Very low	43.5	Very low	242 Å²	242	123.9 Å²	123.9	91%	0.913	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-67.3	142.9	177.6	-68.3	175.5	173.8	165.8	-3	112.4
609	S	34.5	Very low	45.4	Very low	109 Å²	109	120.9 Å²	120.9	76%	0.762	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-84.1	165.5	172	48.7	0	0	0	0	113.1
610	P	41.2	Very low	47.5	Very low	114 Å²	114	119.7 Å²	119.7	74%	0.74	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-71.8	162.5	-179.2	-17	32.4	0	0	0	114
611	P	48	Very low	50	Low	138 Å²	138	116.1 Å²	116.1	90%	0.896	71%	0.713	S	S	*	*	S	Bend	trans	-71.7	134.8	176.8	30.7	-34.5	0	0	0	111.6
612	G	51.4	Low	52.1	Low	83 Å²	83	115.3 Å²	115.3	86%	0.856	70%	0.703	S	S	*	*			trans	149	-6.3	178.7	0	0	0	0	0	116.2
613	G	55.3	Low	54.1	Low	61 Å²	61	112.3 Å²	112.3	63%	0.629	69%	0.687	S	S	*	*	S	Bend	trans	-78.9	155.5	173.7	0	0	0	0	0	113.4
614	P	54.8	Low	56	Low	128 Å²	128	111.6 Å²	111.6	83%	0.831	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-64.4	139.6	176.6	27.7	-34.5	0	0	0	111.6
615	V	61.5	Low	58.6	Low	93 Å²	93	108.3 Å²	108.3	56%	0.564	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.1	129.2	-179.6	179.6	0	0	0	0	109.9	L617 I619	V615-L617 PolarHBondContact O-N 2.9Å; V615-I619 HydrophobicContact CG1-CB 4.27Å; V615-I619 HydrophobicContact CG1-CG2 4.4Å
616	P	65.8	Low	61.2	Low	70 Å²	70	108.7 Å²	108.7	46%	0.455	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-64.9	135.3	-180	26.4	-34.5	0	0	0	111.1	S618 I619 L620	P616-S618 PolarHBondContact O-N 3.07Å; P616-I619 HydrophobicContact CG-CD1 3.77Å; P616-I619 HydrophobicContact CG-CG1 4.07Å; P616-I619 PolarHBondContact O-N 2.93Å; P616-L620 PolarHBondContact O-N 3.46Å
617	L	63.9	Low	63.3	Low	128 Å²	128	106.7 Å²	106.7	67%	0.67	63%	0.632	S	S	*	*	H	α-helix	trans	-51.6	-31.7	-175.8	-84.5	158.7	0	0	0	113.9	V615 I619 L620 I621	V615-L617 PolarHBondContact O-N 2.9Å; L617-I619 PolarHBondContact O-N 3.22Å; L617-L620 PolarHBondContact O-N 2.95Å; L617-I621 HydrophobicContact CB-CD1 4.45Å; L617-I621 WeakPolarHBondContact O-CB 3.21Å; L617-I621 WeakPolarHBondContact O-CD1 3.11Å; L617-I621 WeakPolarHBondContact O-CG1 3.33Å; L617-I621 PolarHBondContact O-N 2.88Å
618	S	70.4	Confident	65.8	Low	75 Å²	75	103.1 Å²	103.1	52%	0.524	61%	0.614	S	S	.	*	H	α-helix	trans	-59.3	-41.6	176.8	49.9	0	0	0	0	113.6	P616 L622	P616-S618 PolarHBondContact O-N 3.07Å; S618-L622 WeakPolarHBondContact O-CB 3.49Å; S618-L622 PolarHBondContact O-N 3.35Å; S618-L622 VanDerWaalsContact O-N 3.08Å
619	I	72	Confident	68.3	Low	103 Å²	103	95.7 Å²	95.7	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-71	-38.8	178	-62.4	179.3	0	0	0	110.3	V615 P616 L617 L622 S623	V615-I619 HydrophobicContact CG1-CB 4.27Å; V615-I619 HydrophobicContact CG1-CG2 4.4Å; P616-I619 HydrophobicContact CG-CD1 3.77Å; P616-I619 HydrophobicContact CG-CG1 4.07Å; P616-I619 PolarHBondContact O-N 2.93Å; L617-I619 PolarHBondContact O-N 3.22Å; I619-L622 PolarHBondContact O-N 2.98Å; I619-S623 PolarHBondContact O-N 3.01Å; I619-S623 PolarHBondContact O-OG 3Å
620	L	71.4	Confident	70.8	Confident	79 Å²	79	95.6 Å²	95.6	41%	0.414	58%	0.582	S	S	.	*	H	α-helix	trans	-70.6	-36.8	-179.2	-150.4	160.4	0	0	0	111.4	P616 L617 S623 I624	P616-L620 PolarHBondContact O-N 3.46Å; L617-L620 PolarHBondContact O-N 2.95Å; L620-S623 PolarHBondContact O-OG 2.81Å; L620-S623 VanDerWaalsContact O-OG 3.06Å; L620-I624 HydrophobicContact CD2-CD1 3.52Å; L620-I624 HydrophobicContact CD2-CG1 4.18Å; L620-I624 WeakPolarHBondContact O-CB 3.36Å; L620-I624 VanDerWaalsContact O-CG1 3.3Å; L620-I624 WeakPolarHBondContact O-CG1 3.27Å; L620-I624 PolarHBondContact O-N 2.04Å
621	I	81.2	Confident	73	Confident	109 Å²	109	94 Å²	94	56%	0.559	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-42.8	170.9	-70.2	163.1	0	0	0	110.8	L617 I624 L625	L617-I621 HydrophobicContact CB-CD1 4.45Å; L617-I621 WeakPolarHBondContact O-CB 3.21Å; L617-I621 WeakPolarHBondContact O-CD1 3.11Å; L617-I621 WeakPolarHBondContact O-CG1 3.33Å; L617-I621 PolarHBondContact O-N 2.88Å; I621-I624 PolarHBondContact O-N 3.27Å; I621-L625 WeakPolarHBondContact O-CB 3.25Å; I621-L625 PolarHBondContact O-N 2.81Å
622	L	71.5	Confident	75.1	Confident	111 Å²	111	91.6 Å²	91.6	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-64.2	-41.7	176.9	-107.5	143	0	0	0	112.7	S618 I619 L625 V626	S618-L622 WeakPolarHBondContact O-CB 3.49Å; S618-L622 PolarHBondContact O-N 3.35Å; S618-L622 VanDerWaalsContact O-N 3.08Å; I619-L622 PolarHBondContact O-N 2.98Å; L622-L625 PolarHBondContact O-N 2.88Å; L622-V626 WeakPolarHBondContact O-CG2 3.44Å; L622-V626 PolarHBondContact O-N 3.07Å
623	S	74.8	Confident	76.9	Confident	63 Å²	63	94 Å²	94	44%	0.441	54%	0.54	S	S	.	.	H	α-helix	trans	-68	-40.3	176.7	66.6	0	0	0	0	112.1	I619 L620 L625 V626 V627	I619-S623 PolarHBondContact O-N 3.01Å; I619-S623 PolarHBondContact O-OG 3Å; L620-S623 PolarHBondContact O-OG 2.81Å; L620-S623 VanDerWaalsContact O-OG 3.06Å; S623-L625 VanDerWaalsContact C-N 3.35Å; S623-L625 PolarHBondContact O-N 2.83Å; S623-V626 PolarHBondContact O-N 2.89Å; S623-V627 WeakPolarHBondContact O-CG2 3.29Å; S623-V627 PolarHBondContact O-N 2.88Å
624	I	82.3	Confident	78.5	Confident	98 Å²	98	95.1 Å²	95.1	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-60.7	-43	171.7	-72.7	173	0	0	0	111	L620 I621 V626 V627 L628	L620-I624 HydrophobicContact CD2-CD1 3.52Å; L620-I624 HydrophobicContact CD2-CG1 4.18Å; L620-I624 WeakPolarHBondContact O-CB 3.36Å; L620-I624 VanDerWaalsContact O-CG1 3.3Å; L620-I624 WeakPolarHBondContact O-CG1 3.27Å; L620-I624 PolarHBondContact O-N 2.04Å; I621-I624 PolarHBondContact O-N 3.27Å; I624-V626 PolarHBondContact O-N 2.92Å; I624-V627 PolarHBondContact O-N 3.15Å; I624-L628 VanDerWaalsContact O-CB 3.3Å; I624-L628 WeakPolarHBondContact O-CB 3.45Å; I624-L628 PolarHBondContact O-N 3.39Å
625	L	86.8	Confident	79.9	Confident	99 Å²	99	91.7 Å²	91.7	52%	0.518	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-45.1	178.7	-167.2	79.7	0	0	0	111.6	I621 L622 S623 L628 I629	I621-L625 WeakPolarHBondContact O-CB 3.25Å; I621-L625 PolarHBondContact O-N 2.81Å; L622-L625 PolarHBondContact O-N 2.88Å; S623-L625 VanDerWaalsContact C-N 3.35Å; S623-L625 PolarHBondContact O-N 2.83Å; L625-L628 PolarHBondContact O-N 3.06Å; L625-I629 HydrophobicContact CD2-CD1 4.43Å; L625-I629 HydrophobicContact CG-CD1 4.08Å; L625-I629 VanDerWaalsContact O-CG1 3.28Å; L625-I629 WeakPolarHBondContact O-CG1 3.3Å; L625-I629 PolarHBondContact O-N 3.29Å
626	V	85.3	Confident	81.3	Confident	78 Å²	78	93.2 Å²	93.2	47%	0.473	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-43.7	177.2	170.4	0	0	0	0	111.4	L622 S623 I624 L628 I629 L630	L622-V626 WeakPolarHBondContact O-CG2 3.44Å; L622-V626 PolarHBondContact O-N 3.07Å; S623-V626 PolarHBondContact O-N 2.89Å; I624-V626 PolarHBondContact O-N 2.92Å; V626-L628 VanDerWaalsContact C-N 3.35Å; V626-L628 PolarHBondContact O-N 3.17Å; V626-I629 PolarHBondContact O-N 3.09Å; V626-L630 HydrophobicContact CG1-CD1 4.06Å; V626-L630 WeakPolarHBondContact O-CB 3.46Å; V626-L630 WeakPolarHBondContact O-CG 3.46Å; V626-L630 PolarHBondContact O-N 3.06Å
627	V	87.2	Confident	81.9	Confident	88 Å²	88	93.7 Å²	93.7	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-42.4	175	170.6	0	0	0	0	111.2	S623 I624 L630 T631	S623-V627 WeakPolarHBondContact O-CG2 3.29Å; S623-V627 PolarHBondContact O-N 2.88Å; I624-V627 PolarHBondContact O-N 3.15Å; V627-L630 PolarHBondContact O-N 3.46Å; V627-T631 HydrophobicContact CG1-CG2 4.46Å; V627-T631 WeakPolarHBondContact O-CG2 3.47Å; V627-T631 PolarHBondContact O-N 2.83Å; V627-T631 PolarHBondContact O-OG1 3.21Å
628	L	86.8	Confident	82.8	Confident	97 Å²	97	92.5 Å²	92.5	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-40.5	179.9	-160.5	158.4	0	0	0	111.6	I624 L625 V626 T631 V632	I624-L628 VanDerWaalsContact O-CB 3.3Å; I624-L628 WeakPolarHBondContact O-CB 3.45Å; I624-L628 PolarHBondContact O-N 3.39Å; L625-L628 PolarHBondContact O-N 3.06Å; V626-L628 VanDerWaalsContact C-N 3.35Å; V626-L628 PolarHBondContact O-N 3.17Å; L628-T631 PolarHBondContact O-N 2.96Å; L628-T631 PolarHBondContact O-OG1 2.72Å; L628-V632 HydrophobicContact CD2-CG2 4.09Å; L628-V632 WeakPolarHBondContact O-CG2 3.37Å; L628-V632 PolarHBondContact O-N 2.77Å
629	I	89.1	Confident	83.2	Confident	86 Å²	86	93.7 Å²	93.7	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-45.7	172.3	-69.8	164.4	0	0	0	110.5	L625 V626 T631 V632 F633	L625-I629 HydrophobicContact CD2-CD1 4.43Å; L625-I629 HydrophobicContact CG-CD1 4.08Å; L625-I629 VanDerWaalsContact O-CG1 3.28Å; L625-I629 WeakPolarHBondContact O-CG1 3.3Å; L625-I629 PolarHBondContact O-N 3.29Å; V626-I629 PolarHBondContact O-N 3.09Å; I629-T631 PolarHBondContact O-N 3.04Å; I629-V632 PolarHBondContact O-N 3.04Å; I629-F633 HydrophobicContact CG2-CD2 3.92Å; I629-F633 HydrophobicContact CG2-CE2 4.06Å; I629-F633 WeakPolarHBondContact O-CD2 3.45Å; I629-F633 PolarHBondContact O-N 3.04Å
630	L	85.9	Confident	83.7	Confident	107 Å²	107	91.4 Å²	91.4	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-61.6	-42.8	177.1	-76.9	165.8	0	0	0	112.4	V626 V627 V632 F633 V634	V626-L630 HydrophobicContact CG1-CD1 4.06Å; V626-L630 WeakPolarHBondContact O-CB 3.46Å; V626-L630 WeakPolarHBondContact O-CG 3.46Å; V626-L630 PolarHBondContact O-N 3.06Å; V627-L630 PolarHBondContact O-N 3.46Å; L630-V632 VanDerWaalsContact C-N 3.35Å; L630-V632 PolarHBondContact O-N 3.22Å; L630-F633 PolarHBondContact O-N 3.48Å; L630-V634 WeakPolarHBondContact O-CG2 3.4Å; L630-V634 PolarHBondContact O-N 3.1Å
631	T	88.1	Confident	84	Confident	81 Å²	81	93.5 Å²	93.5	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-66.9	-35.1	177.3	59.2	0	0	0	0	112.4	V627 L628 I629 V634 A635	V627-T631 HydrophobicContact CG1-CG2 4.46Å; V627-T631 WeakPolarHBondContact O-CG2 3.47Å; V627-T631 PolarHBondContact O-N 2.83Å; V627-T631 PolarHBondContact O-OG1 3.21Å; L628-T631 PolarHBondContact O-N 2.96Å; L628-T631 PolarHBondContact O-OG1 2.72Å; I629-T631 PolarHBondContact O-N 3.04Å; T631-V634 PolarHBondContact O-N 2.97Å; T631-A635 VanDerWaalsContact O-CB 3.25Å; T631-A635 WeakPolarHBondContact O-CB 3.46Å; T631-A635 PolarHBondContact O-N 3.01Å
632	V	92.2	Very high	83.7	Confident	86 Å²	86	91.8 Å²	91.8	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-42.5	172.8	170.3	0	0	0	0	111.4	L628 I629 L630 A635 F636	L628-V632 HydrophobicContact CD2-CG2 4.09Å; L628-V632 WeakPolarHBondContact O-CG2 3.37Å; L628-V632 PolarHBondContact O-N 2.77Å; I629-V632 PolarHBondContact O-N 3.04Å; L630-V632 VanDerWaalsContact C-N 3.35Å; L630-V632 PolarHBondContact O-N 3.22Å; V632-A635 PolarHBondContact O-N 2.72Å; V632-F636 WeakPolarHBondContact O-CB 3.44Å; V632-F636 PolarHBondContact O-N 3.28Å
633	F	88.2	Confident	83.6	Confident	133 Å²	133	91.4 Å²	91.4	58%	0.583	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-44.6	174.6	-93.5	-79.8	0	0	0	112.4	I629 L630 F636 C637	I629-F633 HydrophobicContact CG2-CD2 3.92Å; I629-F633 HydrophobicContact CG2-CE2 4.06Å; I629-F633 WeakPolarHBondContact O-CD2 3.45Å; I629-F633 PolarHBondContact O-N 3.04Å; L630-F633 PolarHBondContact O-N 3.48Å; F633-F636 PolarHBondContact O-N 3.07Å; F633-C637 WeakPolarHBondContact O-CB 3.49Å; F633-C637 PolarHBondContact O-N 3.2Å; F633-C637 PolarHBondContact O-SG 3.4Å; F633-C637 VanDerWaalsContact O-SG 3.35Å
634	V	89.3	Confident	82.9	Confident	86 Å²	86	97.8 Å²	97.8	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.9	172	0	0	0	0	111.1	L630 T631 F636 C637 L638	L630-V634 WeakPolarHBondContact O-CG2 3.4Å; L630-V634 PolarHBondContact O-N 3.1Å; T631-V634 PolarHBondContact O-N 2.97Å; V634-F636 VanDerWaalsContact C-N 3.35Å; V634-F636 PolarHBondContact O-N 2.03Å; V634-C637 PolarHBondContact O-N 3.3Å; V634-L638 HydrophobicContact CG1-CD1 4.02Å; V634-L638 WeakPolarHBondContact O-CB 3.46Å; V634-L638 WeakPolarHBondContact O-CG 3.28Å; V634-L638 PolarHBondContact O-N 3.03Å
635	A	84.9	Confident	81.8	Confident	56 Å²	56	102.4 Å²	102.4	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.9	0	0	0	0	0	112.2	T631 V632 L638 L639	T631-A635 VanDerWaalsContact O-CB 3.25Å; T631-A635 WeakPolarHBondContact O-CB 3.46Å; T631-A635 PolarHBondContact O-N 3.01Å; V632-A635 PolarHBondContact O-N 2.72Å; A635-L638 PolarHBondContact O-N 2.81Å; A635-L639 WeakPolarHBondContact O-CB 3.36Å; A635-L639 PolarHBondContact O-N 3.16Å
636	F	89.9	Confident	80.1	Confident	125 Å²	125	103.6 Å²	103.6	55%	0.548	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-43.6	175.3	-175.4	-98.4	0	0	0	112.1	V632 F633 V634 L638 L639 V640	V632-F636 WeakPolarHBondContact O-CB 3.44Å; V632-F636 PolarHBondContact O-N 3.28Å; F633-F636 PolarHBondContact O-N 3.07Å; V634-F636 VanDerWaalsContact C-N 3.35Å; V634-F636 PolarHBondContact O-N 2.03Å; F636-L638 VanDerWaalsContact C-N 3.35Å; F636-L638 PolarHBondContact O-N 3.19Å; F636-L639 WeakPolarHBondContact O-CB 3.36Å; F636-L639 PolarHBondContact O-N 2.92Å; F636-V640 HydrophobicContact CD1-CG2 4.17Å; F636-V640 HydrophobicContact CE1-CG2 3.8Å; F636-V640 HydrophobicContact CE2-CG2 4.49Å; F636-V640 HydrophobicContact CZ-CG2 3.98Å; F636-V640 WeakPolarHBondContact O-CG2 3.27Å; F636-V640 PolarHBondContact O-N 2.74Å
637	C	79.3	Confident	78.3	Confident	79 Å²	79	108.3 Å²	108.3	53%	0.534	55%	0.55	S	S	.	.	H	α-helix	trans	-61.2	-41.7	174.5	-72.5	0	0	0	0	112	F633 V634 V640 F641	F633-C637 WeakPolarHBondContact O-CB 3.49Å; F633-C637 PolarHBondContact O-N 3.2Å; F633-C637 PolarHBondContact O-SG 3.4Å; F633-C637 VanDerWaalsContact O-SG 3.35Å; V634-C637 PolarHBondContact O-N 3.3Å; C637-V640 PolarHBondContact O-N 2.99Å; C637-F641 WeakPolarHBondContact O-CB 3.44Å; C637-F641 PolarHBondContact O-N 3.17Å
638	L	81.7	Confident	76.4	Confident	104 Å²	104	113.4 Å²	113.4	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-66	-39.2	173.9	-71.2	171.5	0	0	0	112.1	V634 A635 F636 F641 V642	V634-L638 HydrophobicContact CG1-CD1 4.02Å; V634-L638 WeakPolarHBondContact O-CB 3.46Å; V634-L638 WeakPolarHBondContact O-CG 3.28Å; V634-L638 PolarHBondContact O-N 3.03Å; A635-L638 PolarHBondContact O-N 2.81Å; F636-L638 VanDerWaalsContact C-N 3.35Å; F636-L638 PolarHBondContact O-N 3.19Å; L638-F641 PolarHBondContact O-N 2.73Å; L638-V642 WeakPolarHBondContact O-CG2 3.49Å; L638-V642 PolarHBondContact O-N 3.04Å
639	L	80.5	Confident	74.3	Confident	99 Å²	99	114 Å²	114	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-61.8	-46.7	174	-168.8	80	0	0	0	111	A635 F636 F641 V642 L643	A635-L639 WeakPolarHBondContact O-CB 3.36Å; A635-L639 PolarHBondContact O-N 3.16Å; F636-L639 WeakPolarHBondContact O-CB 3.36Å; F636-L639 PolarHBondContact O-N 2.92Å; L639-F641 VanDerWaalsContact C-N 3.32Å; L639-F641 PolarHBondContact O-N 3.2Å; L639-V642 PolarHBondContact O-N 3.43Å; L639-L643 HydrophobicContact CD2-CD1 4.24Å; L639-L643 HydrophobicContact CG-CD1 3.96Å; L639-L643 HydrophobicContact CG-CG 4.47Å; L639-L643 WeakPolarHBondContact O-CB 3.4Å; L639-L643 VanDerWaalsContact O-CG 3.23Å; L639-L643 WeakPolarHBondContact O-CG 3.29Å; L639-L643 PolarHBondContact O-N 3.34Å
640	V	81.9	Confident	71.7	Confident	55 Å²	55	116.8 Å²	116.8	33%	0.333	60%	0.596	S	S	.	*	H	α-helix	trans	-62.9	-38.2	176.1	170.8	0	0	0	0	111.4	F636 C637 L643 R644	F636-V640 HydrophobicContact CD1-CG2 4.17Å; F636-V640 HydrophobicContact CE1-CG2 3.8Å; F636-V640 HydrophobicContact CE2-CG2 4.49Å; F636-V640 HydrophobicContact CZ-CG2 3.98Å; F636-V640 WeakPolarHBondContact O-CG2 3.27Å; F636-V640 PolarHBondContact O-N 2.74Å; C637-V640 PolarHBondContact O-N 2.99Å; V640-L643 PolarHBondContact O-N 3.4Å; V640-R644 WeakPolarHBondContact O-CB 3.24Å; V640-R644 WeakPolarHBondContact O-CG 3.29Å; V640-R644 PolarHBondContact O-N 3.03Å
641	F	77.3	Confident	69.3	Low	123 Å²	123	116.9 Å²	116.9	54%	0.539	60%	0.6	S	S	.	*	H	α-helix	trans	-63.8	-45.2	174.3	-177.8	-101.8	0	0	0	112.1	C637 L638 L639 R644 R645	C637-F641 WeakPolarHBondContact O-CB 3.44Å; C637-F641 PolarHBondContact O-N 3.17Å; L638-F641 PolarHBondContact O-N 2.73Å; L639-F641 VanDerWaalsContact C-N 3.32Å; L639-F641 PolarHBondContact O-N 3.2Å; F641-R644 PolarHBondContact O-N 3.16Å; F641-R645 WeakPolarHBondContact O-CB 3.5Å; F641-R645 PolarHBondContact O-N 2.82Å
642	V	74.9	Confident	66.5	Low	73 Å²	73	122.7 Å²	122.7	44%	0.442	62%	0.619	S	S	.	*	H	α-helix	trans	-66.8	-40.2	175.8	171.5	0	0	0	0	111.7	L638 L639 R644 R645 N646	L638-V642 WeakPolarHBondContact O-CG2 3.49Å; L638-V642 PolarHBondContact O-N 3.04Å; L639-V642 PolarHBondContact O-N 3.43Å; V642-R644 VanDerWaalsContact C-N 3.34Å; V642-R644 PolarHBondContact O-N 3.16Å; V642-R645 PolarHBondContact O-N 3.05Å; V642-R645 VanDerWaalsContact O-N 3.17Å; V642-N646 WeakPolarHBondContact O-CB 3.17Å; V642-N646 PolarHBondContact O-N 3.05Å
643	L	68.8	Low	63.6	Low	103 Å²	103	126.6 Å²	126.6	54%	0.539	63%	0.631	S	S	.	*	H	α-helix	trans	-66.1	-33.5	175.5	-72.6	169.6	0	0	0	112.5	L639 V640	L639-L643 HydrophobicContact CD2-CD1 4.24Å; L639-L643 HydrophobicContact CG-CD1 3.96Å; L639-L643 HydrophobicContact CG-CG 4.47Å; L639-L643 WeakPolarHBondContact O-CB 3.4Å; L639-L643 VanDerWaalsContact O-CG 3.23Å; L639-L643 WeakPolarHBondContact O-CG 3.29Å; L639-L643 PolarHBondContact O-N 3.34Å; V640-L643 PolarHBondContact O-N 3.4Å
644	R	60.6	Low	60.8	Low	198 Å²	198	129.8 Å²	129.8	75%	0.747	65%	0.648	S	S	*	*	H	α-helix	trans	-67.4	-45.7	167.5	-80.2	-175.4	169.6	-165.8	-2.2	111.3	V640 F641 V642 N646 K647	V640-R644 WeakPolarHBondContact O-CB 3.24Å; V640-R644 WeakPolarHBondContact O-CG 3.29Å; V640-R644 PolarHBondContact O-N 3.03Å; F641-R644 PolarHBondContact O-N 3.16Å; V642-R644 VanDerWaalsContact C-N 3.34Å; V642-R644 PolarHBondContact O-N 3.16Å; R644-N646 VanDerWaalsContact C-N 3.3Å; R644-N646 PolarHBondContact O-N 3.12Å; R644-K647 PolarHBondContact O-N 3.24Å; R644-K647 VanDerWaalsContact O-N 3.17Å
645	R	58.8	Low	58	Low	194 Å²	194	129.4 Å²	129.4	73%	0.732	66%	0.661	S	S	*	*	H	α-helix	trans	-64.2	-30.5	-178.8	-165	173.3	-173.9	174.2	2.7	113.6	F641 V642	F641-R645 WeakPolarHBondContact O-CB 3.5Å; F641-R645 PolarHBondContact O-N 2.82Å; V642-R645 PolarHBondContact O-N 3.05Å; V642-R645 VanDerWaalsContact O-N 3.17Å
646	N	50.7	Low	55.5	Low	125 Å²	125	134.5 Å²	134.5	67%	0.668	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-10.8	177.2	-74.8	-8.7	0	0	0	114.1	V642 R644 K648	V642-N646 WeakPolarHBondContact O-CB 3.17Å; V642-N646 PolarHBondContact O-N 3.05Å; R644-N646 VanDerWaalsContact C-N 3.3Å; R644-N646 PolarHBondContact O-N 3.12Å; N646-K648 PolarHBondContact O-N 3.22Å
647	K	49	Very low	52.5	Low	177 Å²	177	131.9 Å²	131.9	77%	0.77	69%	0.688	S	S	*	*			trans	-83.6	84.1	168.1	-78	-170.8	173.5	-175	0	110.5	R644	R644-K647 PolarHBondContact O-N 3.24Å; R644-K647 VanDerWaalsContact O-N 3.17Å
648	K	47.2	Very low	50.3	Low	194 Å²	194	134.5 Å²	134.5	84%	0.843	70%	0.696	S	S	*	*			trans	-55	127.3	162.5	-75.4	-174	175.8	-177.7	0	109.1	N646 T650	N646-K648 PolarHBondContact O-N 3.22Å; K648-T650 PolarHBondContact O-N 3.35Å
649	P	41.9	Very low	48.3	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	71%	0.705	S	S	*	*			trans	-70.4	128.1	172.8	28.5	-32.8	0	0	0	109.9	V651	P649-V651 VanDerWaalsContact C-N 3.33Å; P649-V651 PolarHBondContact O-N 3.35Å
650	T	35.7	Very low	45.9	Very low	144 Å²	144	139.5 Å²	139.5	88%	0.883	72%	0.724	S	S	*	*			trans	-75.7	86.6	168	48.2	0	0	0	0	109.3	K648 K652	K648-T650 PolarHBondContact O-N 3.35Å; T650-K652 PolarHBondContact O-N 2.91Å
651	V	35.6	Very low	43.2	Very low	108 Å²	108	143.5 Å²	143.5	66%	0.655	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69.9	116.4	172.1	178.5	0	0	0	0	108.9	P649	P649-V651 VanDerWaalsContact C-N 3.33Å; P649-V651 PolarHBondContact O-N 3.35Å
652	K	29.3	Very low	40.8	Very low	203 Å²	203	141.1 Å²	141.1	88%	0.883	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-84.4	136.8	151.6	-82.5	-170.6	170.6	-172.4	0	107.8	T650	T650-K652 PolarHBondContact O-N 2.91Å
653	H	31	Very low	38.6	Very low	169 Å²	169	143.4 Å²	143.4	78%	0.782	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.5	138.5	176.1	-80.1	-95.2	0	0	0	111.5
654	E	28	Very low	36.5	Very low	199 Å²	199	146.5 Å²	146.5	93%	0.93	80%	0.796	S	S	*	*			trans	168.1	120.4	137.6	-95.9	166	-155.4	0	0	107.7
655	G	30.8	Very low	34.9	Very low	78 Å²	78	146 Å²	146	80%	0.804	80%	0.802	S	S	*	*			cis	-157.9	138.7	-14.8	0	0	0	0	0	108.3
656	L	31.7	Very low	33.2	Very low	164 Å²	164	143.9 Å²	143.9	86%	0.859	81%	0.805	S	S	*	*			trans	-101.7	135.2	-166.5	-161.6	73.7	0	0	0	112.7	N658	L656-N658 WeakPolarHBondContact CD2-OD1 3.42Å
657	G	28.2	Very low	32.1	Very low	69 Å²	69	146.9 Å²	146.9	71%	0.711	81%	0.814	S	S	*	*			trans	-118.1	112.4	166.1	0	0	0	0	0	110.2
658	N	32.8	Very low	31	Very low	134 Å²	134	146 Å²	146	72%	0.717	82%	0.818	S	S	*	*			trans	-75.7	146.3	-174.5	-68.1	3.5	0	0	0	113	L656	L656-N658 WeakPolarHBondContact CD2-OD1 3.42Å
659	P	40.7	Very low	29.8	Very low	113 Å²	113	147.5 Å²	147.5	73%	0.734	82%	0.818	S	S	*	*			trans	-96.4	136.1	131.4	34.6	-26.9	0	0	0	110.5
660	E	29.7	Very low	28.9	Very low	195 Å²	195	151.3 Å²	151.3	91%	0.911	82%	0.823	S	S	*	*				-176.7	157.7	127.2	-105.6	176.1	-160.4	0	0	111.3
661	C	25	Very low	28.4	Very low	140 Å²	140	151.3 Å²	151.3	95%	0.946	81%	0.813	S	S	*	*			trans	-84.3	141.4	-172.3	-62.7	0	0	0	0	112.6
662	G	27.6	Very low	27.8	Very low	72 Å²	72	151.4 Å²	151.4	74%	0.742	81%	0.81	S	S	*	*			trans	-142.8	113.6	174.5	0	0	0	0	0	111.8
663	S	27.5	Very low	27.7	Very low	121 Å²	121	149 Å²	149	85%	0.846	80%	0.801	S	S	*	*			trans	-31	125.4	176.1	52.8	0	0	0	0	116.7
664	M	25	Very low	27.4	Very low	169 Å²	169	150 Å²	150	83%	0.833	80%	0.803	S	S	*	*			trans	-91.3	107.8	169.9	-177.4	174.6	175.7	0	0	111.3	L666	M664-L666 HydrophobicContact CE-CD1 4.45Å
665	Q	26.7	Very low	27.4	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.874	79%	0.789	S	S	*	*			trans	-99.9	140.4	158.3	-78.3	-170.2	-19.3	0	0	109.9
666	L	24.3	Very low	27.2	Very low	150 Å²	150	147.8 Å²	147.8	79%	0.785	78%	0.783	S	S	*	*			trans	-78.5	138.8	169.6	-87	87.6	0	0	0	110.8	M664	M664-L666 HydrophobicContact CE-CD1 4.45Å
667	Q	26.8	Very low	27	Very low	187 Å²	187	148.6 Å²	148.6	87%	0.874	78%	0.78	S	S	*	*				-163.5	139.9	125	-109.5	173.8	37.6	0	0	115.8
668	L	24.6	Very low	26.9	Very low	160 Å²	160	152.4 Å²	152.4	84%	0.838	78%	0.777	S	S	*	*			trans	28.4	98.9	153.8	-91.5	59.6	0	0	0	122.8
669	R	22.7	Very low	26.7	Very low	225 Å²	225	152.3 Å²	152.3	85%	0.849	78%	0.776	S	S	*	*			trans	-8.6	124.6	132.3	-176.6	-171.5	-167	-177.6	4.5	118.8
670	K	24.2	Very low	26	Very low	190 Å²	190	149.9 Å²	149.9	83%	0.826	77%	0.772	S	S	*	*			trans	-145.8	134.3	136.8	-101.5	-173.5	175.6	178.4	0	108
671	H	24.4	Very low	25.9	Very low	145 Å²	145	148.5 Å²	148.5	67%	0.671	77%	0.77	S	S	*	*				53.1	126.4	91.6	-74.8	45.7	0	0	0	113.1
672	D	23.3	Very low	26	Very low	110 Å²	110	146.3 Å²	146.3	59%	0.588	76%	0.756	S	S	*	*			cis	-161.9	179	2.9	-138.6	-30.6	0	0	0	113.4
673	H	26.2	Very low	26	Very low	153 Å²	153	147.9 Å²	147.9	71%	0.708	75%	0.751	S	S	*	*			trans	28.4	132.5	150.3	-71	-28.5	0	0	0	119.7
674	K	25.5	Very low	26.1	Very low	189 Å²	189	149.8 Å²	149.8	82%	0.822	75%	0.747	S	S	*	*				-166.5	141.8	58.1	-136.1	161.5	-171	175.8	0	115.1
675	T	27.3	Very low	26.2	Very low	102 Å²	102	145.6 Å²	145.6	63%	0.626	74%	0.739	S	S	*	*			trans	-18.8	141.2	158.4	60.6	0	0	0	0	120
676	N	26	Very low	26.1	Very low	129 Å²	129	146.5 Å²	146.5	69%	0.69	74%	0.74	S	S	*	*				-172.9	126.4	101	-99.3	-44	0	0	0	110.5
677	K	28	Very low	26.3	Very low	181 Å²	181	146.5 Å²	146.5	79%	0.787	74%	0.739	S	S	*	*				68.6	137.7	98.5	-83.3	-167.3	179.9	-177.1	0	115.1
678	K	27.1	Very low	27	Very low	149 Å²	149	142.6 Å²	142.6	65%	0.648	73%	0.731	S	S	*	*			cis	-172	160.7	-14.9	-146.7	179.5	157.1	-77	0	108.5
679	D	27.1	Very low	27.2	Very low	132 Å²	132	143.3 Å²	143.3	71%	0.706	73%	0.729	S	S	*	*			trans	64.6	143.9	159.3	-54.2	-40	0	0	0	117.9
680	G	27.4	Very low	27.5	Very low	62 Å²	62	138.2 Å²	138.2	64%	0.639	72%	0.724	S	S	*	*			cis	166.9	166.6	-6.5	0	0	0	0	0	112.3
681	L	27.5	Very low	27.7	Very low	165 Å²	165	135.2 Å²	135.2	86%	0.864	72%	0.715	S	S	*	*			trans	63	131.9	177.5	-81.3	38.8	0	0	0	114.4
682	S	27	Very low	27.8	Very low	94 Å²	94	135 Å²	135	66%	0.657	71%	0.714	S	S	*	*			cis	73.2	146.1	34.7	99.4	0	0	0	0	114
683	T	28.2	Very low	28.1	Very low	106 Å²	106	136.8 Å²	136.8	65%	0.65	72%	0.72	S	S	*	*			cis	-136.6	-139.2	-5	-19.8	0	0	0	0	108.6
684	E	29	Very low	27.9	Very low	161 Å²	161	137 Å²	137	75%	0.752	72%	0.723	S	S	*	*			cis	-151.7	124.1	-3.7	-132.2	120.8	-109.1	0	0	105.8
685	A	26.8	Very low	27.9	Very low	80 Å²	80	132.1 Å²	132.1	66%	0.661	71%	0.712	S	S	*	*				75.6	121	87.9	0	0	0	0	0	116.7
686	F	25.3	Very low	27.9	Very low	206 Å²	206	136 Å²	136	90%	0.904	72%	0.721	S	S	*	*				-163.6	117.1	129.6	-120.4	-78.1	0	0	0	112
687	I	28.4	Very low	27.9	Very low	150 Å²	150	134.1 Å²	134.1	77%	0.769	72%	0.717	S	S	*	*			trans	-154	130.5	-178.6	-56.3	167.8	0	0	0	105.7
688	P	40.6	Very low	28	Very low	106 Å²	106	134 Å²	134	69%	0.688	72%	0.719	S	S	*	*				-140.6	149.2	98.9	14.6	10.2	0	0	0	114.2
689	Q	29.6	Very low	27.9	Very low	174 Å²	174	133.4 Å²	133.4	81%	0.813	73%	0.728	S	S	*	*				63.8	154.9	79.4	-58.6	-172.8	-3.6	0	0	114.7
690	T	29.4	Very low	27.7	Very low	119 Å²	119	132.9 Å²	132.9	73%	0.73	73%	0.733	S	S	*	*			cis	-120.9	-168.4	14	58.5	0	0	0	0	111
691	I	28.1	Very low	27.5	Very low	126 Å²	126	133.6 Å²	133.6	65%	0.646	74%	0.741	S	S	*	*			cis	-153.7	172.2	0.7	-143.4	154.1	0	0	0	106.9
692	E	26.6	Very low	27.5	Very low	140 Å²	140	133.5 Å²	133.5	65%	0.654	74%	0.74	S	S	*	*			cis	-141.8	149.8	11.1	-143.7	110.2	-132.6	0	0	109
693	Q	28.1	Very low	27.5	Very low	149 Å²	149	137.6 Å²	137.6	70%	0.696	75%	0.746	S	S	*	*				28.3	138.1	102.6	-49.6	-170	13.7	0	0	118
694	M	23.4	Very low	27.4	Very low	157 Å²	157	139.2 Å²	139.2	77%	0.773	75%	0.746	S	S	*	*			cis	-170.2	165.6	-5.6	-108.6	-156.5	-76.2	0	0	108
695	S	25.4	Very low	27.3	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	75%	0.752	S	S	*	*			cis	-169.6	-179.6	-13.7	64	0	0	0	0	111.5
696	K	26.5	Very low	27.2	Very low	185 Å²	185	141.9 Å²	141.9	80%	0.804	76%	0.759	S	S	*	*			trans	67.7	84.2	152.5	-71	178.1	179.3	177.8	0	122.4
697	S	26	Very low	27.3	Very low	88 Å²	88	139 Å²	139	62%	0.615	76%	0.758	S	S	*	*				48.3	124.6	106.4	68.5	0	0	0	0	124.2
698	H	30	Very low	27	Very low	178 Å²	178	134.5 Å²	134.5	82%	0.824	75%	0.75	S	S	*	*			trans	67.5	155.6	144.1	-56.1	-48.2	0	0	0	119
699	T	25.2	Very low	26.2	Very low	138 Å²	138	139.3 Å²	139.3	85%	0.847	76%	0.76	S	S	*	*			cis	-147.3	173.7	11.5	-23.1	0	0	0	0	112.7
700	C	23.5	Very low	25.9	Very low	120 Å²	120	138.6 Å²	138.6	81%	0.811	76%	0.758	S	S	*	*			trans	-77.8	158.6	178.1	-175.6	0	0	0	0	114.3
701	G	23.8	Very low	25.6	Very low	77 Å²	77	142.2 Å²	142.2	79%	0.794	76%	0.764	S	S	*	*			trans	-160.1	129	167.9	0	0	0	0	0	113.5
702	L	27.4	Very low	25.4	Very low	163 Å²	163	140.6 Å²	140.6	85%	0.853	76%	0.764	S	S	*	*			trans	-111.1	142.9	172.5	-76.6	154.5	0	0	0	109.3
703	K	26.2	Very low	25.3	Very low	180 Å²	180	141.2 Å²	141.2	78%	0.783	77%	0.772	S	S	*	*				174.7	170.5	118.9	-102.5	-164.8	157.1	-95.4	0	115.4
704	E	26	Very low	26.2	Very low	140 Å²	140	139.5 Å²	139.5	65%	0.654	77%	0.774	S	S	*	*			trans	-76.4	158.6	175.2	-35.9	97.3	129.3	0	0	113.1
705	S	26	Very low	27.3	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	78%	0.775	S	S	*	*				171.8	172.6	125.2	42.7	0	0	0	0	112.4
706	E	26.5	Very low	27.5	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	78%	0.784	S	S	*	*			trans	-97.6	174.2	-167.4	-56.6	171.5	110.4	0	0	114.1
707	T	25.7	Very low	27.6	Very low	145 Å²	145	138 Å²	138	89%	0.89	79%	0.79	S	S	*	*			trans	70.3	153.9	173.3	76.7	0	0	0	0	115.3
708	G	23	Very low	27.6	Very low	57 Å²	57	143 Å²	143	59%	0.588	80%	0.801	S	S	*	*			cis	159.2	160.3	-4.5	0	0	0	0	0	110.9
709	F	23.6	Very low	27.4	Very low	206 Å²	206	141 Å²	141	90%	0.904	80%	0.801	S	S	*	*			trans	69.8	154.6	178.4	-59	-84.1	0	0	0	117.3
710	M	22.7	Very low	27.3	Very low	159 Å²	159	140 Å²	140	78%	0.783	79%	0.794	S	S	*	*			cis	-168.7	-171.4	-41.1	-121.5	-64.6	154.9	0	0	110.6
711	F	23.6	Very low	27.3	Very low	195 Å²	195	141.4 Å²	141.4	86%	0.855	79%	0.791	S	S	*	*			trans	88.2	130.8	-177.5	-63.2	-81.8	0	0	0	115.9
712	S	23.5	Very low	27.3	Very low	92 Å²	92	148 Å²	148	64%	0.643	79%	0.792	S	S	*	*			cis	-170.8	133.5	-20	42.7	0	0	0	0	112
713	D	24.5	Very low	27.1	Very low	154 Å²	154	147.6 Å²	147.6	82%	0.824	79%	0.79	S	S	*	*			trans	25.6	161.3	140.2	-64.8	-9.1	0	0	0	123.7
714	P	48.1	Very low	27.1	Very low	113 Å²	113	146.1 Å²	146.1	73%	0.734	80%	0.796	S	S	*	*			cis	-140.3	-141.9	-47.1	43.8	-24.9	0	0	0	109.3
715	P	46.7	Very low	27	Very low	121 Å²	121	143 Å²	143	79%	0.786	79%	0.794	S	S	*	*			cis	-118.1	157.3	-36.2	38.1	-24.3	0	0	0	113.1
716	G	29.4	Very low	27.1	Very low	78 Å²	78	144.2 Å²	144.2	80%	0.804	79%	0.79	S	S	*	*				108.7	154.8	93.1	0	0	0	0	0	111.9
717	Q	27.8	Very low	27.1	Very low	198 Å²	198	145.2 Å²	145.2	93%	0.925	79%	0.792	S	S	*	*			cis	-158.4	164.8	-8.5	-170.6	171.8	6.5	0	0	109.5
718	K	27.2	Very low	27.1	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	78%	0.783	S	S	*	*			trans	-113.3	137.4	179.6	-66.9	177.1	176.4	177	0	113.5
719	V	25.1	Very low	27.3	Very low	137 Å²	137	149.6 Å²	149.6	83%	0.83	79%	0.785	S	S	*	*			trans	-160.6	144.4	150.2	164.6	0	0	0	0	107.1
720	V	23.6	Very low	27.4	Very low	116 Å²	116	145.1 Å²	145.1	70%	0.703	77%	0.771	S	S	*	*			cis	116.1	113.2	-3.2	178.2	0	0	0	0	116.9
721	M	23.6	Very low	27.6	Very low	150 Å²	150	144.3 Å²	144.3	74%	0.739	77%	0.769	S	S	*	*			trans	91.7	136.1	155.7	-140.1	-172.9	-77.2	0	0	122.6
722	R	22.3	Very low	27.8	Very low	216 Å²	216	141.4 Å²	141.4	82%	0.815	76%	0.761	S	S	*	*			trans	92.1	147.2	138.4	-115.7	174.1	-177.4	136.9	-2.5	122.9
723	N	25.2	Very low	27.9	Very low	154 Å²	154	144.9 Å²	144.9	82%	0.824	77%	0.767	S	S	*	*			trans	-70.8	154.4	-175.5	-42.7	-0.8	0	0	0	113.7
724	V	24.1	Very low	28	Very low	148 Å²	148	144 Å²	144	90%	0.897	77%	0.767	S	S	*	*			trans	-134.2	151.6	149	179.4	0	0	0	0	107.5
725	A	25.6	Very low	26.8	Very low	74 Å²	74	144.8 Å²	144.8	61%	0.612	77%	0.765	S	S	*	*			trans	-116.1	-177.6	-175.3	0	0	0	0	0	112.9
726	D	26.6	Very low	25.8	Very low	150 Å²	150	143.2 Å²	143.2	80%	0.802	75%	0.753	S	S	*	*			trans	70.7	106.6	157.7	-53.3	-28.4	0	0	0	120.6
727	K	27.6	Very low	25.6	Very low	194 Å²	194	150.2 Å²	150.2	84%	0.843	76%	0.755	S	S	*	*				-169.5	125.5	119.7	-97.1	148.9	-172.3	172.5	0	107.8
728	E	25.8	Very low	25.5	Very low	148 Å²	148	151 Å²	151	69%	0.692	76%	0.756	S	S	*	*				45.7	126.6	77.3	-69.1	-149.9	143.2	0	0	112.1
729	K	26.6	Very low	25.5	Very low	146 Å²	146	153.2 Å²	153.2	64%	0.635	76%	0.759	S	S	*	*			cis	-162	176.7	15.3	-113.1	163.8	179.9	138.2	0	106.1
730	D	26.3	Very low	25.4	Very low	113 Å²	113	155 Å²	155	60%	0.604	76%	0.763	S	S	*	*			cis	-167.3	162.9	13.5	-130.4	-32.8	0	0	0	109.7
731	L	26.7	Very low	25.5	Very low	141 Å²	141	153.9 Å²	153.9	74%	0.738	76%	0.76	S	S	*	*			trans	62.6	149.1	153.7	-57.6	167.3	0	0	0	118.6
732	L	26.5	Very low	25.5	Very low	134 Å²	134	152.6 Å²	152.6	70%	0.702	76%	0.761	S	S	*	*			cis	-157.5	173.9	4	-119.8	163.6	0	0	0	112.3
733	H	26.5	Very low	25.8	Very low	165 Å²	165	149.6 Å²	149.6	76%	0.764	76%	0.76	S	S	*	*			trans	-29.4	163.5	168.3	-75.5	-56.2	0	0	0	119.2
734	V	25.7	Very low	25.9	Very low	137 Å²	137	149 Å²	149	83%	0.83	76%	0.757	S	S	*	*			cis	-145.1	154.9	37.8	-177.7	0	0	0	0	114.7
735	D	23.6	Very low	26	Very low	128 Å²	128	151.2 Å²	151.2	68%	0.684	76%	0.757	S	S	*	*			trans	-64.2	176	177.1	-168.3	13.1	0	0	0	117.8
736	T	25.2	Very low	26.1	Very low	88 Å²	88	155.2 Å²	155.2	54%	0.54	77%	0.767	S	S	.	*			trans	88.7	101.8	152.6	56.6	0	0	0	0	123.9
737	R	25.6	Very low	26	Very low	225 Å²	225	155.5 Å²	155.5	85%	0.849	77%	0.769	S	S	*	*				53.8	114.8	121.3	-56.9	174.3	-164.9	-175.2	4.4	120.2
738	K	26.9	Very low	25.9	Very low	216 Å²	216	154.8 Å²	154.8	94%	0.939	77%	0.768	S	S	*	*				-162.1	144.6	117.2	-108.3	159.8	-174.6	174.5	0	111.9
739	R	25.9	Very low	25.8	Very low	238 Å²	238	154.7 Å²	154.7	90%	0.898	77%	0.772	S	S	*	*			trans	-96.9	135.7	159.7	-82.8	-178.4	170.5	177.8	-4	108.1
740	L	24.5	Very low	25.7	Very low	173 Å²	173	157.4 Å²	157.4	91%	0.906	78%	0.784	S	S	*	*				-159.2	168.1	125	-131.7	74.8	0	0	0	109.8
741	S	24.4	Very low	25.7	Very low	94 Å²	94	158 Å²	158	66%	0.657	80%	0.795	S	S	*	*			trans	-86.6	146.4	-178	50.4	0	0	0	0	113
742	T	24.9	Very low	25.7	Very low	123 Å²	123	156.5 Å²	156.5	76%	0.755	80%	0.795	S	S	*	*				166.7	131.2	106.4	41.6	0	0	0	0	112.2
743	I	28.5	Very low	25.8	Very low	153 Å²	153	160.6 Å²	160.6	79%	0.785	80%	0.801	S	S	*	*			trans	56.2	144.9	135.7	-111.7	163.1	0	0	0	121.6
744	D	26.2	Very low	25.7	Very low	142 Å²	142	159.5 Å²	159.5	76%	0.759	80%	0.801	S	S	*	*			trans	60.1	107.6	166.4	-58.7	-8.2	0	0	0	121.7
745	E	26.2	Very low	25.8	Very low	193 Å²	193	157.7 Å²	157.7	90%	0.902	80%	0.795	S	S	*	*			trans	-143.7	149.2	147	-73.1	-173.4	148.2	0	0	107.9
746	L	29	Very low	25.9	Very low	159 Å²	159	158.5 Å²	158.5	83%	0.832	80%	0.799	S	S	*	*			cis	-168.8	131.1	-39.4	-130	160.4	0	0	0	106.9
747	D	23.9	Very low	26	Very low	156 Å²	156	158.1 Å²	158.1	83%	0.834	80%	0.797	S	S	*	*			trans	-80.4	122	174.6	-87.1	-50.2	0	0	0	111.6
748	E	26.2	Very low	26	Very low	178 Å²	178	154.6 Å²	154.6	83%	0.832	79%	0.788	S	S	*	*			trans	-170.4	144.3	151.7	-116.5	179.9	-154	0	0	109.6
749	L	23.1	Very low	26	Very low	147 Å²	147	149.1 Å²	149.1	77%	0.77	77%	0.767	S	S	*	*			cis	-133.7	147	15.5	-68.9	109.5	0	0	0	114.1
750	F	24.9	Very low	26	Very low	203 Å²	203	144 Å²	144	89%	0.89	75%	0.754	S	S	*	*			trans	-99.5	143.8	149.2	-74.8	-92.2	0	0	0	110.1
751	P	26.4	Very low	26.1	Very low	126 Å²	126	142.5 Å²	142.5	82%	0.818	75%	0.747	S	S	*	*			trans	-97.1	135.3	156.4	34.1	-28	0	0	0	111.1
752	S	25	Very low	26.2	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	76%	0.757	S	S	*	*			trans	-147.2	171	168.8	62.5	0	0	0	0	110.1
753	R	28.8	Very low	26.2	Very low	220 Å²	220	148.4 Å²	148.4	83%	0.83	76%	0.757	S	S	*	*			trans	83.1	148.5	-167.7	-58.8	-171.8	157.7	140.1	-0.3	115.6
754	D	25.3	Very low	26	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	75%	0.748	S	S	*	*			cis	-154.3	166	-20.4	-100.9	-27.7	0	0	0	108.6
755	S	27.5	Very low	26.1	Very low	99 Å²	99	146 Å²	146	69%	0.692	75%	0.75	S	S	*	*			trans	-88.9	134.4	-174.9	46.2	0	0	0	0	114.2
756	N	25.2	Very low	26.2	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	74%	0.737	S	S	*	*				176.2	119.8	118.4	-91.5	-42.3	0	0	0	114.8
757	V	27.3	Very low	26	Very low	80 Å²	80	143.1 Å²	143.1	49%	0.485	73%	0.728	S	S	.	*			trans	49.3	109.6	131.1	-175.5	0	0	0	0	119.7	T285	T285-V757 VanDerWaalsContact CB-CG1 3.45Å; T285-V757 HydrophobicContact CG2-CG1 3.35Å
758	F	25.2	Very low	26.1	Very low	151 Å²	151	142.1 Å²	142.1	66%	0.662	72%	0.718	S	S	*	*			trans	-136.2	127	133.4	-139.5	-76.6	0	0	0	108.6	T286 P287	T286-F758 HydrophobicContact CG2-CB 4.42Å; T286-F758 HydrophobicContact CG2-CD1 3.64Å; T286-F758 HydrophobicContact CG2-CD2 3.65Å; T286-F758 HydrophobicContact CG2-CE1 3.68Å; T286-F758 HydrophobicContact CG2-CE2 3.7Å; T286-F758 HydrophobicContact CG2-CG 3.63Å; T286-F758 HydrophobicContact CG2-CZ 3.71Å; P287-F758 HydrophobicContact CB-CD2 4.24Å; P287-F758 HydrophobicContact CB-CE2 3.6Å; P287-F758 HydrophobicContact CB-CZ 4.45Å; P287-F758 HydrophobicContact CG-CE2 3.77Å; P287-F758 HydrophobicContact CG-CZ 4.18Å
759	I	28.7	Very low	26.1	Very low	100 Å²	100	141.3 Å²	141.3	51%	0.513	71%	0.708	S	S	.	*			trans	-111.8	136.8	176.9	-72.4	-176.3	0	0	0	107.2	T285	T285-I759 HydrophobicContact CG2-CB 4.33Å; T285-I759 HydrophobicContact CG2-CD1 3.87Å; T285-I759 HydrophobicContact CG2-CG1 4.2Å
760	Q	25.2	Very low	26	Very low	130 Å²	130	140.6 Å²	140.6	61%	0.607	71%	0.705	S	S	*	*				165.4	129.8	106.8	-148.3	154.4	-16.1	0	0	113
761	N	25.6	Very low	26.1	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	70%	0.696	S	S	*	*			trans	130.5	82.5	149.4	-68.7	-27.4	0	0	0	114.9
762	F	26.9	Very low	26.2	Very low	199 Å²	199	137.8 Å²	137.8	87%	0.873	70%	0.699	S	S	*	*				-154.7	120.7	102.5	-121.2	-84.3	0	0	0	110.1
763	L	25	Very low	26.1	Very low	143 Å²	143	135.7 Å²	135.7	75%	0.749	69%	0.694	S	S	*	*			trans	-113.5	159.5	162.4	-100.2	170	0	0	0	107.2
764	E	24.5	Very low	25.9	Very low	130 Å²	130	132.3 Å²	132.3	61%	0.607	70%	0.697	S	S	*	*			trans	70.5	137.4	-168	-43.1	-160.2	107.4	0	0	113.9	K766	E764-K766 WeakPolarHBondContact OE1-CE 3.45Å; E764-K766 IonicContact OE1-NZ 2.65Å; E764-K766 PolarHBondContact OE1-NZ 3.32Å
765	S	29	Very low	25.9	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	70%	0.701	S	S	*	*			cis	-81.7	139.8	-2.5	43.4	0	0	0	0	112.8
766	K	27.5	Very low	25.7	Very low	144 Å²	144	129.7 Å²	129.7	63%	0.626	70%	0.701	S	S	*	*				66.8	122.6	58.5	-77	178.2	168	159.2	0	112	E764	E764-K766 WeakPolarHBondContact OE1-CE 3.45Å; E764-K766 IonicContact OE1-NZ 2.65Å; E764-K766 PolarHBondContact OE1-NZ 3.32Å
767	K	24	Very low	25.7	Very low	149 Å²	149	132.4 Å²	132.4	65%	0.648	71%	0.706	S	S	*	*				59.8	136.5	74.3	-74.2	177.5	157.2	-127.6	0	110.6
768	E	26.3	Very low	25.5	Very low	134 Å²	134	135.3 Å²	135.3	63%	0.626	71%	0.714	S	S	*	*			cis	-164	166.1	15.5	-114.3	147.6	-169.3	0	0	106.7
769	Y	26	Very low	25.4	Very low	162 Å²	162	135 Å²	135	64%	0.635	72%	0.718	S	S	*	*			cis	-169.1	-179.7	-16.7	-130.2	-143.7	0	0	0	108
770	N	22.6	Very low	25.1	Very low	131 Å²	131	139.5 Å²	139.5	70%	0.701	73%	0.728	S	S	*	*			trans	13.5	143.4	143.9	-67.1	4	0	0	0	120.6
771	S	26.8	Very low	25.1	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	74%	0.74	S	S	*	*			cis	-178.2	-168.9	6.7	47.7	0	0	0	0	111.8
772	I	27.1	Very low	25.2	Very low	172 Å²	172	142.5 Å²	142.5	88%	0.882	74%	0.741	S	S	*	*			trans	88.4	123.2	170.7	-50.8	167.5	0	0	0	114.5
773	G	24.2	Very low	25.1	Very low	63 Å²	63	142 Å²	142	65%	0.649	74%	0.741	S	S	*	*			cis	176.8	154.2	-8.5	0	0	0	0	0	116.9
774	V	24.3	Very low	25.2	Very low	150 Å²	150	145.1 Å²	145.1	91%	0.909	75%	0.748	S	S	*	*			trans	32	106.1	145.6	-167.8	0	0	0	0	118.9
775	S	25.4	Very low	25.2	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	76%	0.759	S	S	*	*				-143.2	145.3	117.6	70.7	0	0	0	0	109.2
776	G	23.9	Very low	25.7	Very low	67 Å²	67	147 Å²	147	69%	0.691	75%	0.754	S	S	*	*			trans	-147.7	146.3	-174.9	0	0	0	0	0	111.6
777	F	25.2	Very low	25.6	Very low	203 Å²	203	145.6 Å²	145.6	89%	0.89	75%	0.753	S	S	*	*			trans	-110.9	100.6	174.3	-80.4	-81.6	0	0	0	110	I779	F777-I779 PolarHBondContact O-N 2.77Å
778	E	21.2	Very low	25.8	Very low	142 Å²	142	145.8 Å²	145.8	66%	0.664	75%	0.754	S	S	*	*			trans	-84.2	97.4	175.4	-175.4	-172.8	-116.8	0	0	109.6	R780	E778-R780 HydrophobicContact CG-CG 4.13Å; E778-R780 PolarHBondContact O-N 2.78Å; E778-R780 IonicContact OE1-NH2 2.74Å; E778-R780 IonicContact OE2-CZ 3.86Å; E778-R780 IonicContact OE2-NE 2.64Å; E778-R780 PolarHBondContact OE2-NE 2.97Å; E778-R780 IonicContact OE2-NH2 3.64Å; E778-R780 PolarHBondContact OE2-NH2 3.42Å
779	I	24.9	Very low	26	Very low	145 Å²	145	147.8 Å²	147.8	74%	0.744	76%	0.761	S	S	*	*			trans	-82.1	95.5	173.9	-59.5	-179	0	0	0	109	F777	F777-I779 PolarHBondContact O-N 2.77Å
780	R	21.7	Very low	26	Very low	193 Å²	193	146.8 Å²	146.8	73%	0.728	77%	0.766	S	S	*	*			trans	-74.6	130.2	172.2	-60.4	-176.4	-175.6	-155	-7.2	110.8	E778	E778-R780 HydrophobicContact CG-CG 4.13Å; E778-R780 PolarHBondContact O-N 2.78Å; E778-R780 IonicContact OE1-NH2 2.74Å; E778-R780 IonicContact OE2-CZ 3.86Å; E778-R780 IonicContact OE2-NE 2.64Å; E778-R780 PolarHBondContact OE2-NE 2.97Å; E778-R780 IonicContact OE2-NH2 3.64Å; E778-R780 PolarHBondContact OE2-NH2 3.42Å
781	Y	25.3	Very low	26.2	Very low	217 Å²	217	150.6 Å²	150.6	85%	0.851	78%	0.777	S	S	*	*			trans	-78.4	130.3	160.4	-72.6	-90.2	0	0	0	109.3	E783	Y781-E783 PolarHBondContact O-N 3.19Å
782	P	28.1	Very low	26.3	Very low	119 Å²	119	155.2 Å²	155.2	77%	0.773	78%	0.784	S	S	*	*			trans	-79.9	113.2	-179.2	29.9	-33	0	0	0	111.7
783	E	23.3	Very low	26.3	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.883	77%	0.771	S	S	*	*			trans	-63	145.9	166.9	-65.3	-174	115.5	0	0	111.4	Y781	Y781-E783 PolarHBondContact O-N 3.19Å
784	K	27.9	Very low	26.5	Very low	207 Å²	207	155.5 Å²	155.5	90%	0.9	78%	0.779	S	S	*	*			trans	-102.1	117	170.6	-76.8	-180	176.6	173.6	0	110.4
785	Q	24.3	Very low	26.7	Very low	179 Å²	179	155.6 Å²	155.6	84%	0.836	77%	0.773	S	S	*	*			trans	-125.8	158.7	163.7	-82.3	-88.1	-14.9	0	0	109.4
786	P	39.7	Very low	26.7	Very low	105 Å²	105	153.5 Å²	153.5	68%	0.682	77%	0.769	S	S	*	*			trans	-107.1	174	-151.7	39.7	-36	0	0	0	116.4
787	D	26.3	Very low	26.7	Very low	114 Å²	114	153.7 Å²	153.7	61%	0.61	77%	0.771	S	S	*	*			trans	126.3	135.6	130.3	-139	20.3	0	0	0	118.6
788	K	27.5	Very low	26.8	Very low	153 Å²	153	152.2 Å²	152.2	67%	0.665	77%	0.773	S	S	*	*			trans	25	131.9	152.9	-71.5	166.3	-160.6	89	0	119.1
789	K	30.1	Very low	27	Very low	175 Å²	175	154.8 Å²	154.8	76%	0.761	78%	0.784	S	S	*	*			cis	-179.5	147.5	46.7	-123.1	160.6	-174.9	174.7	0	113.7
790	N	25.7	Very low	27.1	Very low	142 Å²	142	152.5 Å²	152.5	76%	0.759	78%	0.782	S	S	*	*			trans	42.9	118	144.3	-60.3	-3.2	0	0	0	123
791	K	27.2	Very low	27.5	Very low	210 Å²	210	153 Å²	153	91%	0.913	79%	0.789	S	S	*	*				-163.2	164.4	103.8	-107.3	169.6	-176.7	176.7	0	113.4
792	K	29.5	Very low	27.5	Very low	196 Å²	196	149.5 Å²	149.5	85%	0.852	78%	0.783	S	S	*	*			trans	-79.8	173.5	-171.3	-50.2	176.8	177.6	178.6	0	111.2
793	S	27.3	Very low	27.5	Very low	88 Å²	88	149.9 Å²	149.9	62%	0.615	78%	0.783	S	S	*	*			cis	-171	154.8	27.1	-139.2	0	0	0	0	112.7
794	L	28.4	Very low	27.6	Very low	153 Å²	153	146.6 Å²	146.6	80%	0.801	78%	0.776	S	S	*	*			trans	57.4	139.2	151.2	-60.1	161.7	0	0	0	117.8
795	I	28.1	Very low	27.6	Very low	153 Å²	153	145.2 Å²	145.2	79%	0.785	77%	0.772	S	S	*	*			cis	-154.9	156.2	1.3	-96.1	155.6	0	0	0	105.1
796	G	24.4	Very low	27.8	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	77%	0.772	S	S	*	*			cis	133.8	100.1	1.2	0	0	0	0	0	112.1
797	G	25.4	Very low	27.3	Very low	71 Å²	71	149.5 Å²	149.5	73%	0.732	78%	0.775	S	S	*	*			trans	-166.9	151.7	-179.5	0	0	0	0	0	113.5
798	N	25.8	Very low	27.6	Very low	172 Å²	172	152.3 Å²	152.3	92%	0.92	78%	0.782	S	S	*	*			trans	-68.8	139.1	-166.1	-67.1	-24.7	0	0	0	115.1
799	H	27	Very low	27.9	Very low	196 Å²	196	148.2 Å²	148.2	91%	0.907	77%	0.772	S	S	*	*			trans	-95.1	115	155.5	-84.3	-74.8	0	0	0	110.7
800	S	26.1	Very low	27.9	Very low	98 Å²	98	145.7 Å²	145.7	69%	0.685	76%	0.764	S	S	*	*			trans	-77.3	150.6	155.2	47.1	0	0	0	0	109.8	I802	S800-I802 PolarHBondContact O-N 3.06Å
801	K	30.7	Very low	28.2	Very low	204 Å²	204	146.9 Å²	146.9	89%	0.887	76%	0.759	S	S	*	*			trans	-69.2	125.9	171.9	-71.5	-178.1	177.6	-179.9	0	109.5
802	I	24.9	Very low	28.6	Very low	142 Å²	142	143.4 Å²	143.4	73%	0.728	74%	0.744	S	S	*	*			trans	-118.4	115.5	154.6	-61.8	179.7	0	0	0	106.3	S800 V804	S800-I802 PolarHBondContact O-N 3.06Å; I802-V804 HydrophobicContact CG2-CG2 4.26Å
803	V	27.4	Very low	28.7	Very low	127 Å²	127	141 Å²	141	77%	0.77	74%	0.735	S	S	*	*			trans	-82.6	123	168.9	177	0	0	0	0	106.7
804	V	25.9	Very low	28.8	Very low	121 Å²	121	142.6 Å²	142.6	73%	0.733	74%	0.737	S	S	*	*			trans	-100.4	105.6	168.6	178.8	0	0	0	0	107.5	I802 Q806	I802-V804 HydrophobicContact CG2-CG2 4.26Å; V804-Q806 PolarHBondContact O-N 3.14Å
805	E	28.1	Very low	29.1	Very low	177 Å²	177	141.8 Å²	141.8	83%	0.827	73%	0.726	S	S	*	*			trans	-81.7	100.1	179.4	-173.3	169	-150.8	0	0	109.5	R807	E805-R807 PolarHBondContact O-N 2.84Å
806	Q	28.2	Very low	29.3	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	72%	0.72	S	S	*	*			trans	-71.4	126.5	175	-75	-176.3	-62.6	0	0	110.3	V804	V804-Q806 PolarHBondContact O-N 3.14Å
807	R	28.9	Very low	29.6	Very low	195 Å²	195	140.2 Å²	140.2	74%	0.736	71%	0.708	S	S	*	*			trans	-70.4	131.8	-175.6	-63	-179	-177.8	179.6	1.1	110.8	E805 S809	E805-R807 PolarHBondContact O-N 2.84Å; R807-S809 PolarHBondContact O-N 3.18Å
808	K	33.8	Very low	29.8	Very low	173 Å²	173	140.4 Å²	140.4	75%	0.752	69%	0.692	S	S	*	*	S	Bend	trans	-69.3	-15.5	176.7	-72.8	-178.9	175.1	177.9	0	114.4	Y811 F812	K808-Y811 PolarHBondContact O-N 3.47Å; K808-F812 WeakPolarHBondContact O-CD2 3.45Å
809	S	33.3	Very low	30.2	Very low	67 Å²	67	136.6 Å²	136.6	47%	0.469	67%	0.669	S	S	.	*	H	α-helix	trans	-59.9	-49.1	-173.1	47.5	0	0	0	0	113.5	R807 Y811 F812 E813	R807-S809 PolarHBondContact O-N 3.18Å; S809-Y811 PolarHBondContact O-N 2.63Å; S809-F812 PolarHBondContact O-N 3.29Å; S809-F812 VanDerWaalsContact O-N 3.15Å; S809-E813 PolarHBondContact O-N 2.89Å
810	E	30	Very low	30.4	Very low	123 Å²	123	129.8 Å²	129.8	58%	0.575	64%	0.643	S	S	*	*	H	α-helix	trans	-65	-25.1	-172.4	-67.9	161.2	-158.1	0	0	112.5	L814	E810-L814 PolarHBondContact O-N 2.73Å
811	Y	32.9	Very low	30.9	Very low	167 Å²	167	128.7 Å²	128.7	66%	0.655	64%	0.635	S	S	*	*	H	α-helix	trans	-73.8	-34	177.3	-174.4	-101	0	0	0	113.4	K808 S809 K815	K808-Y811 PolarHBondContact O-N 3.47Å; S809-Y811 PolarHBondContact O-N 2.63Å; Y811-K815 PolarHBondContact O-N 3.27Å
812	F	34.2	Very low	31.1	Very low	137 Å²	137	119.6 Å²	119.6	60%	0.601	60%	0.597	S	S	*	*	H	α-helix	trans	-80.5	-33.9	177.9	-72.3	-77.1	0	0	0	112.2	K808 S809 K815 A816	K808-F812 WeakPolarHBondContact O-CD2 3.45Å; S809-F812 PolarHBondContact O-N 3.29Å; S809-F812 VanDerWaalsContact O-N 3.15Å; F812-K815 PolarHBondContact O-N 3.01Å; F812-K815 VanDerWaalsContact O-N 3.16Å; F812-A816 PolarHBondContact O-N 2.95Å
813	E	32.3	Very low	31.8	Very low	144 Å²	144	116.9 Å²	116.9	67%	0.673	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-39.3	177.5	-159.3	164.5	-148.8	0	0	111.8	S809	S809-E813 PolarHBondContact O-N 2.89Å
814	L	30.2	Very low	32.4	Very low	123 Å²	123	113 Å²	113	64%	0.644	56%	0.556	S	S	*	*	H	α-helix	trans	-66.4	-36.4	169.5	-86.2	161.5	0	0	0	113.2	E810	E810-L814 PolarHBondContact O-N 2.73Å
815	K	33	Very low	33.2	Very low	135 Å²	135	112.5 Å²	112.5	59%	0.587	55%	0.548	S	S	*	.	H	α-helix	trans	-73.8	-29.9	179.9	-165.7	172	-178.4	-178.5	0	113	Y811 F812 K817 L818	Y811-K815 PolarHBondContact O-N 3.27Å; F812-K815 PolarHBondContact O-N 3.01Å; F812-K815 VanDerWaalsContact O-N 3.16Å; K815-K817 VanDerWaalsContact C-N 3.3Å; K815-K817 PolarHBondContact O-N 3.12Å; K815-L818 PolarHBondContact O-N 3.33Å
816	A	33.7	Very low	34	Very low	79 Å²	79	105.3 Å²	105.3	65%	0.653	52%	0.515	S	S	*	.	H	α-helix	trans	-67.6	-27.2	177.2	0	0	0	0	0	113.5	F812 L818	F812-A816 PolarHBondContact O-N 2.95Å; A816-L818 VanDerWaalsContact C-N 3.33Å; A816-L818 PolarHBondContact O-N 3.4Å
817	K	29.8	Very low	34.9	Very low	114 Å²	114	97.1 Å²	97.1	50%	0.496	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-73.5	-16.2	175.5	-82.9	-164.5	166.7	-160.7	0	114.8	K815 Q819 Q826	K815-K817 VanDerWaalsContact C-N 3.3Å; K815-K817 PolarHBondContact O-N 3.12Å; K817-Q819 PolarHBondContact O-N 3.29Å; K817-Q826 PolarHBondContact O-NE2 3.08Å
818	L	30.5	Very low	35.8	Very low	75 Å²	75	91.3 Å²	91.3	39%	0.393	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-94.4	17.2	-166.4	-73.9	167.3	0	0	0	114.9	K815 A816	K815-L818 PolarHBondContact O-N 3.33Å; A816-L818 VanDerWaalsContact C-N 3.33Å; A816-L818 PolarHBondContact O-N 3.4Å
819	Q	32.9	Very low	36.6	Very low	93 Å²	93	88.7 Å²	88.7	44%	0.435	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-143.7	14.4	-177.5	-69.4	-160.4	-35.2	0	0	115.9	K817	K817-Q819 PolarHBondContact O-N 3.29Å
820	S	32.8	Very low	37.3	Very low	52 Å²	52	87.9 Å²	87.9	36%	0.364	44%	0.439	S	S	.	.	S	Bend	trans	-79.2	149.4	157	42.7	0	0	0	0	109.6
821	S	35.3	Very low	37.9	Very low	76 Å²	76	85.5 Å²	85.5	53%	0.531	43%	0.428	S	S	.	.	S	Bend	trans	-53.4	128.4	162.7	52.7	0	0	0	0	108.5	D823	S821-D823 PolarHBondContact O-N 3.43Å; S821-D823 VanDerWaalsContact O-N 3.12Å
822	P	34.4	Very low	38.6	Very low	12 Å²	12	81 Å²	81	8%	0.078	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-62.9	116.7	-161.6	22.5	-35.4	0	0	0	112.2	V159 H182 Y824 V827	V159-P822 HydrophobicContact CG1-CG 3.93Å; V159-P822 HydrophobicContact CG2-CG 4.1Å; H182-P822 HydrophobicContact CB-CG 4.16Å; P822-Y824 PolarHBondContact O-N 3.06Å; P822-V827 HydrophobicContact CB-CG2 3.63Å
823	D	40.3	Very low	39	Very low	86 Å²	86	77.3 Å²	77.3	46%	0.46	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59.8	133.1	164.8	179.8	-2.4	0	0	0	108.3	S821 L825 Q826 V827	S821-D823 PolarHBondContact O-N 3.43Å; S821-D823 VanDerWaalsContact O-N 3.12Å; D823-L825 PolarHBondContact O-N 2.79Å; D823-L825 VanDerWaalsContact O-N 3.12Å; D823-L825 PolarHBondContact OD1-N 3Å; D823-Q826 HydrophobicContact CB-CB 4.29Å; D823-Q826 PolarHBondContact O-N 3.15Å; D823-V827 PolarHBondContact O-N 3.05Å; D823-V827 VanDerWaalsContact O-N 3.13Å
824	Y	40.1	Very low	39.4	Very low	45 Å²	45	75.7 Å²	75.7	18%	0.176	41%	0.409	C	S	.	.	H	α-helix	trans	-52.1	-32.8	175.9	179.6	-103.4	0	0	0	112.6	K110 E134 P822 L828	K110-Y824 PolarHBondContact NZ-OH 3.25Å; E134-Y824 HydrophobicContact CB-CE2 3.86Å; E134-Y824 HydrophobicContact CG-CE2 4.41Å; E134-Y824 PolarHBondContact OE1-OH 3.34Å; E134-Y824 VanDerWaalsContact OE2-CE2 3.25Å; E134-Y824 WeakPolarHBondContact OE2-CE2 3.27Å; E134-Y824 PolarHBondContact OE2-OH 2.83Å; P822-Y824 PolarHBondContact O-N 3.06Å; Y824-L828 PolarHBondContact O-N 3.23Å
825	L	41.8	Very low	39.6	Very low	110 Å²	110	75.8 Å²	75.8	58%	0.576	41%	0.41	S	S	*	.	H	α-helix	trans	-67.6	-45.5	173.5	-70.1	166.6	0	0	0	112.3	D823 V827 L828 E829	D823-L825 PolarHBondContact O-N 2.79Å; D823-L825 VanDerWaalsContact O-N 3.12Å; D823-L825 PolarHBondContact OD1-N 3Å; L825-V827 PolarHBondContact O-N 3.11Å; L825-L828 PolarHBondContact O-N 2.79Å; L825-L828 WeakPolarHBondContact O-CB 3.49Å; L825-L828 WeakPolarHBondContact O-CA 3.35Å; L825-L828 VanDerWaalsContact O-CB 3.32Å; L825-E829 PolarHBondContact O-N 2.83Å
826	Q	45.9	Very low	39.7	Very low	27 Å²	27	77.8 Å²	77.8	13%	0.126	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-42	-180	-179.6	172.6	-15.2	0	0	112.1	K817 D823 L828 E829 E830	K817-Q826 PolarHBondContact O-NE2 3.08Å; D823-Q826 HydrophobicContact CB-CB 4.29Å; D823-Q826 PolarHBondContact O-N 3.15Å; Q826-L828 PolarHBondContact O-N 2.61Å; Q826-E829 PolarHBondContact O-N 3.43Å; Q826-E829 VanDerWaalsContact O-N 3.16Å; Q826-E830 HydrophobicContact CG-CG 4.42Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.18Å; Q826-E830 PolarHBondContact NE2-OE1 3.14Å; Q826-E830 PolarHBondContact O-N 3.2Å
827	V	46.7	Very low	39.8	Very low	7 Å²	7	83.7 Å²	83.7	4%	0.042	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-31.4	174.9	-173.8	0	0	0	0	111.4	K158 V159 P822 D823 L825 Q831	K158-V827 HydrophobicContact CB-CG1 4.38Å; K158-V827 HydrophobicContact CD-CG1 4.06Å; V159-V827 HydrophobicContact CG2-CG2 4.1Å; P822-V827 HydrophobicContact CB-CG2 3.63Å; D823-V827 PolarHBondContact O-N 3.05Å; D823-V827 VanDerWaalsContact O-N 3.13Å; L825-V827 PolarHBondContact O-N 3.11Å; V827-Q831 VanDerWaalsContact O-CB 3.24Å; V827-Q831 WeakPolarHBondContact O-CB 3.1Å; V827-Q831 PolarHBondContact O-N 3.47Å
828	L	47.8	Very low	40.3	Very low	72 Å²	72	82.2 Å²	82.2	38%	0.377	43%	0.434	S	S	.	.	H	α-helix	trans	-77.5	-36.3	177.9	-146.6	74.1	0	0	0	112.6	Y824 L825 Q826 T832	Y824-L828 PolarHBondContact O-N 3.23Å; L825-L828 PolarHBondContact O-N 2.79Å; L825-L828 WeakPolarHBondContact O-CB 3.49Å; L825-L828 WeakPolarHBondContact O-CA 3.35Å; L825-L828 VanDerWaalsContact O-CB 3.32Å; Q826-L828 PolarHBondContact O-N 2.61Å; L828-T832 PolarHBondContact O-N 3.13Å; L828-T832 VanDerWaalsContact O-N 3.09Å; L828-T832 PolarHBondContact O-OG1 3.31Å
829	E	49.9	Very low	40.8	Very low	119 Å²	119	82.6 Å²	82.6	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-65.4	-49.5	173.3	-68.5	-165.4	148.8	0	0	111.4	L825 Q826 Q831 T832 A833	L825-E829 PolarHBondContact O-N 2.83Å; Q826-E829 PolarHBondContact O-N 3.43Å; Q826-E829 VanDerWaalsContact O-N 3.16Å; E829-Q831 PolarHBondContact O-N 3.31Å; E829-Q831 VanDerWaalsContact C-N 3.32Å; E829-T832 PolarHBondContact O-N 3.13Å; E829-T832 VanDerWaalsContact O-N 3.09Å; E829-T832 PolarHBondContact O-OG1 3.42Å; E829-T832 VanDerWaalsContact O-OG1 3.06Å; E829-A833 PolarHBondContact O-N 2.82Å
830	E	49	Very low	41.2	Very low	49 Å²	49	82 Å²	82	23%	0.229	44%	0.436	C	S	.	.	H	α-helix	trans	-64.1	-37.7	179.7	-68.4	177.7	-165.8	0	0	111.6	Q826 T832 A833 L834	Q826-E830 HydrophobicContact CG-CG 4.42Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.18Å; Q826-E830 PolarHBondContact NE2-OE1 3.14Å; Q826-E830 PolarHBondContact O-N 3.2Å; E830-T832 PolarHBondContact O-N 3.45Å; E830-A833 PolarHBondContact O-N 3.35Å; E830-L834 PolarHBondContact O-N 3.15Å; E830-L834 VanDerWaalsContact O-N 3.12Å
831	Q	42.7	Very low	41.7	Very low	73 Å²	73	83.8 Å²	83.8	34%	0.341	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-35.7	172.5	-173	174.4	23	0	0	112.9	K158 V827 E829 L834 N835	K158-Q831 VanDerWaalsContact CE-OE1 3.3Å; V827-Q831 VanDerWaalsContact O-CB 3.24Å; V827-Q831 WeakPolarHBondContact O-CB 3.1Å; V827-Q831 PolarHBondContact O-N 3.47Å; E829-Q831 PolarHBondContact O-N 3.31Å; E829-Q831 VanDerWaalsContact C-N 3.32Å; Q831-L834 PolarHBondContact O-N 3.31Å; Q831-N835 PolarHBondContact O-N 3.49Å
832	T	47.6	Very low	42.1	Very low	74 Å²	74	84.3 Å²	84.3	45%	0.454	44%	0.435	S	S	.	.	H	α-helix	trans	-81.9	-11.5	178.7	47.6	0	0	0	0	114.3	L828 E829 E830 K836	L828-T832 PolarHBondContact O-N 3.13Å; L828-T832 VanDerWaalsContact O-N 3.09Å; L828-T832 PolarHBondContact O-OG1 3.31Å; E829-T832 PolarHBondContact O-N 3.13Å; E829-T832 VanDerWaalsContact O-N 3.09Å; E829-T832 PolarHBondContact O-OG1 3.42Å; E829-T832 VanDerWaalsContact O-OG1 3.06Å; E830-T832 PolarHBondContact O-N 3.45Å; T832-K836 WeakPolarHBondContact O-CD 3.42Å
833	A	42.1	Very low	42.6	Very low	59 Å²	59	89.1 Å²	89.1	49%	0.488	46%	0.459	S	S	.	.	H	α-helix	trans	-76.7	-47.3	161.7	0	0	0	0	0	111.5	E829 E830 N835 K836	E829-A833 PolarHBondContact O-N 2.82Å; E830-A833 PolarHBondContact O-N 3.35Å; A833-N835 PolarHBondContact O-N 3.24Å; A833-K836 PolarHBondContact O-N 3.42Å
834	L	41.3	Very low	42.8	Very low	110 Å²	110	89.3 Å²	89.3	58%	0.576	46%	0.459	S	S	*	.	H	α-helix	trans	-64.1	-37.6	-179.8	-87.3	160	0	0	0	113.6	E830 Q831 K836 I837	E830-L834 PolarHBondContact O-N 3.15Å; E830-L834 VanDerWaalsContact O-N 3.12Å; Q831-L834 PolarHBondContact O-N 3.31Å; L834-K836 PolarHBondContact O-N 3.45Å; L834-I837 PolarHBondContact O-N 3.26Å
835	N	34.5	Very low	43	Very low	124 Å²	124	92.7 Å²	92.7	66%	0.663	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	12	176.8	-76.5	-16.7	0	0	0	114.7	Q831 A833	Q831-N835 PolarHBondContact O-N 3.49Å; A833-N835 PolarHBondContact O-N 3.24Å
836	K	34.8	Very low	43.1	Very low	177 Å²	177	91.3 Å²	91.3	77%	0.77	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	10.1	178.9	-69.8	177.8	-177.1	162.3	0	113.7	T832 A833 L834	T832-K836 WeakPolarHBondContact O-CD 3.42Å; A833-K836 PolarHBondContact O-N 3.42Å; L834-K836 PolarHBondContact O-N 3.45Å
837	I	35.1	Very low	42.8	Very low	204 Å²	204	97.1 Å²	97.1	100%	1.046	50%	0.504	S	S	*	.			trans	-116.8	0	177.7	-58.7	174.5	0	0	0	108.3	L834	L834-I837 PolarHBondContact O-N 3.26Å

Retrieved 837 of 837 residues in 188 ms (Link to these results)

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