A0A077Z6T5_TRITR Loading...

Nsp7 replicase family protein

AlphaFold DB , UniProt , Accession A0A077Z6T5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 824 aa.

						>A0A077Z6T5_TRITR|A0A077Z6T5
MFLRSIVALWLFAWLSMANGNCPTGCICANTVVLCSCSGEVQFDILSPIRGIEYIGKIFVHSCSRLTIPADAFAGLAVGQEISIMEIQNLTIDPFAFRGMLKYPDQFTIRDSAVHLLATDAFAGFQQAKHLWFRNVTIHRVQRNAFRHVSNVDYLYFREVNFETIQSGAFANVQSIGNIFIRSKVNVQRMGSALFRGSKFDKLVIEDATVTSMSAYSLIGAASFGTIQLFNLRILSTSFNVPPDEVTLLAATIKGGKIEFYNVIMDRLHLGIFANVDETRLEHCQIDRLTSGLLTLHRVAVVSFVGSTVRFISSGAFANANQVGTVKFENSNVERIESGSFRHLSAVDYVMLLSTTVGAIETRAFENCTVNNFIIDGCTLHDMSTGSFMGVRSVLCRIVENNINKLSTRLLPDSAFALFSFERNNISGQGASRWLSRMHAQHVNISGNWFVRWEEHLLSEASFRSMELSANQFQCNCDNGAAWLVDMITTRRLYLELAEPIVVINEDNVCWEPQKKRRLSIEAYWESDCSKEKVALKTRSLVHGLTCTVSSLWTECRCRRSATKIVLDFTGASQALNTSVLRISNCTEILLSWSLVGQIQTIIFNSVKLLLAAQVFAKVNGLQSVWIEDSAVRLEGRHVLTTISPLVQVVFKNVDIHQVPVHSLSQSNAAEVTIENSKLGRLEPSMAEGSTIENLIIADSRIGFTSWSAFQGIRGAKLRLTNNIIGHMEGFSFLPAVATEKILCFNGNRIECNSTRDLRAALHVYNSCDNDSNKCYAKGTIEGTMNDLMDENGQKENIGSSLRQRSYYVISVTAFIVLISCRTF
					

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(Predicted Aligned Error values between residue pairs)

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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	39.1	Very low	48.8	Very low	209 Å²	209	123.9 Å²	123.9	100%	1.03	61%	0.611	S	S	*	*				0	-50.7	0	-92.6	178	-174.9	0	0	112.7	L3 R4	M1-L3 PolarHBondContact O-N 2.74Å; M1-R4 WeakPolarHBondContact O-CB 3.37Å; M1-R4 PolarHBondContact O-N 3.08Å
2	F	46.1	Very low	48.8	Very low	169 Å²	169	128.3 Å²	128.3	74%	0.741	62%	0.624	S	S	*	*	H	α-helix	trans	-61.7	-35.4	-177.2	-104.1	-92.8	0	0	0	115.8	R4 S5 I6	F2-R4 PolarHBondContact O-N 2.76Å; F2-S5 WeakPolarHBondContact O-CB 3.22Å; F2-S5 PolarHBondContact O-N 3.28Å; F2-I6 PolarHBondContact O-N 3.05Å
3	L	45.6	Very low	48.8	Very low	137 Å²	137	120.4 Å²	120.4	72%	0.717	59%	0.593	S	S	*	*	H	α-helix	trans	-58.5	-31.5	174.4	-151.1	79.7	0	0	0	112	M1 V7	M1-L3 PolarHBondContact O-N 2.74Å; L3-V7 WeakPolarHBondContact O-CB 3.36Å; L3-V7 WeakPolarHBondContact O-CG2 3.39Å; L3-V7 PolarHBondContact O-N 2.76Å; L3-V7 VanDerWaalsContact O-N 3.09Å
4	R	44.8	Very low	48.3	Very low	211 Å²	211	126.8 Å²	126.8	80%	0.796	61%	0.607	S	S	*	*	H	α-helix	trans	-71.4	-33.5	174.9	-69.1	-173.8	172.8	-178.9	-3	112.4	M1 F2 A8	M1-R4 WeakPolarHBondContact O-CB 3.37Å; M1-R4 PolarHBondContact O-N 3.08Å; F2-R4 PolarHBondContact O-N 2.76Å; R4-A8 WeakPolarHBondContact O-CB 3.39Å; R4-A8 PolarHBondContact O-N 3.45Å; R4-A8 VanDerWaalsContact O-N 3.09Å
5	S	49.6	Very low	47.9	Very low	64 Å²	64	129.3 Å²	129.3	45%	0.448	62%	0.624	S	S	.	*	H	α-helix	trans	-72.4	-36.5	176.4	-55	0	0	0	0	112.3	F2 A8 L9	F2-S5 WeakPolarHBondContact O-CB 3.22Å; F2-S5 PolarHBondContact O-N 3.28Å; S5-A8 PolarHBondContact O-N 3.1Å; S5-L9 PolarHBondContact O-N 3.36Å; S5-L9 VanDerWaalsContact O-N 3.07Å
6	I	54.6	Low	47.4	Very low	64 Å²	64	125.1 Å²	125.1	33%	0.328	61%	0.612	S	S	.	*	H	α-helix	trans	-70.4	-42.5	177	-64	168.6	0	0	0	110.8	F2 A8 L9 W10	F2-I6 PolarHBondContact O-N 3.05Å; I6-A8 VanDerWaalsContact C-N 3.31Å; I6-A8 PolarHBondContact O-N 3.13Å; I6-L9 PolarHBondContact O-N 3.29Å; I6-W10 PolarHBondContact O-N 3.29Å
7	V	54	Low	46.9	Very low	81 Å²	81	128.2 Å²	128.2	49%	0.491	63%	0.628	S	S	.	*	H	α-helix	trans	-64.3	-37.1	175.2	173.7	0	0	0	0	111.3	L3 W10 L11	L3-V7 WeakPolarHBondContact O-CB 3.36Å; L3-V7 WeakPolarHBondContact O-CG2 3.39Å; L3-V7 PolarHBondContact O-N 2.76Å; L3-V7 VanDerWaalsContact O-N 3.09Å; V7-W10 WeakPolarHBondContact O-CB 3.39Å; V7-W10 PolarHBondContact O-N 2.84Å; V7-L11 HydrophobicContact CG1-CD1 4.43Å; V7-L11 PolarHBondContact O-N 3.15Å; V7-L11 VanDerWaalsContact O-N 3.12Å
8	A	52	Low	46.8	Very low	46 Å²	46	126.1 Å²	126.1	38%	0.38	63%	0.634	S	S	.	*	H	α-helix	trans	-64.6	-40.2	174.2	0	0	0	0	0	112.3	R4 S5 I6 L11 F12	R4-A8 WeakPolarHBondContact O-CB 3.39Å; R4-A8 PolarHBondContact O-N 3.45Å; R4-A8 VanDerWaalsContact O-N 3.09Å; S5-A8 PolarHBondContact O-N 3.1Å; I6-A8 VanDerWaalsContact C-N 3.31Å; I6-A8 PolarHBondContact O-N 3.13Å; A8-L11 PolarHBondContact O-N 3.4Å; A8-F12 WeakPolarHBondContact O-CD2 3.44Å; A8-F12 PolarHBondContact O-N 3.46Å
9	L	54.6	Low	46.8	Very low	104 Å²	104	127.4 Å²	127.4	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-65.8	-37.4	174.4	-82.7	156.7	0	0	0	112.5	S5 I6 L11 F12 A13	S5-L9 PolarHBondContact O-N 3.36Å; S5-L9 VanDerWaalsContact O-N 3.07Å; I6-L9 PolarHBondContact O-N 3.29Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.26Å; L9-F12 PolarHBondContact O-N 3.1Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.39Å
10	W	49.5	Very low	47.2	Very low	146 Å²	146	125.1 Å²	125.1	55%	0.553	65%	0.653	S	S	*	*	H	α-helix	trans	-60.5	-40.3	173.7	-99.7	81.5	0	0	0	112.7	I6 V7 A13	I6-W10 PolarHBondContact O-N 3.29Å; V7-W10 WeakPolarHBondContact O-CB 3.39Å; V7-W10 PolarHBondContact O-N 2.84Å; W10-A13 PolarHBondContact O-N 2.81Å
11	L	47.6	Very low	48.4	Very low	132 Å²	132	123.4 Å²	123.4	69%	0.691	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-31.7	178.7	-77.7	163.2	0	0	0	113.1	V7 A8 L9	V7-L11 HydrophobicContact CG1-CD1 4.43Å; V7-L11 PolarHBondContact O-N 3.15Å; V7-L11 VanDerWaalsContact O-N 3.12Å; A8-L11 PolarHBondContact O-N 3.4Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.26Å
12	F	48.3	Very low	50.4	Low	176 Å²	176	115.4 Å²	115.4	77%	0.772	61%	0.609	S	S	*	*	H	α-helix	trans	-80.1	-26.5	176	-86.9	-81.4	0	0	0	113.4	A8 L9 W14	A8-F12 WeakPolarHBondContact O-CD2 3.44Å; A8-F12 PolarHBondContact O-N 3.46Å; L9-F12 PolarHBondContact O-N 3.1Å; F12-W14 PolarHBondContact O-N 3.07Å
13	A	48.8	Very low	52.2	Low	26 Å²	26	107.8 Å²	107.8	22%	0.215	58%	0.577	C	S	.	*	H	α-helix	trans	-74.7	-19	-176.7	0	0	0	0	0	114.6	L9 W10 L15 S16 I27	L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.39Å; W10-A13 PolarHBondContact O-N 2.81Å; A13-L15 PolarHBondContact O-N 2.83Å; A13-S16 PolarHBondContact O-N 2.87Å; A13-I27 HydrophobicContact CB-CD1 4.47Å; A13-I27 HydrophobicContact CB-CG2 4.08Å
14	W	41.6	Very low	53.9	Low	210 Å²	210	105.5 Å²	105.5	80%	0.795	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-11.2	178.8	-112.4	62.8	0	0	0	114.1	F12	F12-W14 PolarHBondContact O-N 3.07Å
15	L	41.9	Very low	55.8	Low	164 Å²	164	96.8 Å²	96.8	86%	0.859	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	3.1	-175.5	-92.5	142.7	0	0	0	115.8	A13	A13-L15 PolarHBondContact O-N 2.83Å
16	S	40.2	Very low	57.7	Low	62 Å²	62	94.6 Å²	94.6	43%	0.434	53%	0.529	S	S	.	.			trans	-121.1	76.6	173.7	66	0	0	0	0	111.4	A13	A13-S16 PolarHBondContact O-N 2.87Å
17	M	39.9	Very low	59.3	Low	178 Å²	178	94.8 Å²	94.8	88%	0.877	53%	0.53	S	S	*	.			trans	-70.6	127.7	170.1	-68.5	-170.8	-151.4	0	0	111.1
18	A	44	Very low	60.9	Low	90 Å²	90	92.8 Å²	92.8	74%	0.744	52%	0.518	S	S	*	.			trans	59.4	81.1	142.1	0	0	0	0	0	118.8
19	N	46.4	Very low	62.4	Low	151 Å²	151	92.4 Å²	92.4	81%	0.807	52%	0.515	S	S	*	.			trans	-87.6	122.9	137.5	-96.3	-10.8	0	0	0	107.7	N21	N19-N21 PolarHBondContact O-N 3.46Å
20	G	56	Low	63.4	Low	81 Å²	81	95.5 Å²	95.5	84%	0.835	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	22.4	-169.2	0	0	0	0	0	117.6
21	N	71.9	Confident	65.2	Low	90 Å²	90	91.8 Å²	91.8	48%	0.481	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	5.6	-176.6	-76.5	-7.3	0	0	0	113.1	N19 R50	N19-N21 PolarHBondContact O-N 3.46Å; N21-R50 WeakPolarHBondContact CB-O 3.03Å
22	C	80.9	Confident	67.2	Low	41 Å²	41	87.6 Å²	87.6	28%	0.277	51%	0.506	S	S	.	.	S	Bend	trans	-83.5	135.2	176.5	-157.9	0	0	0	0	110.8	C26 C28	C22-C26 VanDerWaalsContact SG-C 3.59Å; C22-C26 PolarHBondContact SG-O 3.38Å; C22-C26 VanDerWaalsContact SG-O 3.35Å; C22-C28 WeakPolarHBondContact CA-SG 3.41Å; C22-C28 HydrophobicContact CB-CB 3.79Å; C22-C28 WeakPolarHBondContact CB-SG 3.36Å; C22-C28 WeakPolarHBondContact SG-CB 3.39Å; C22-C28 PolarHBondContact SG-N 3.32Å; C22-C28 CovalentContact SG-SG 2.04Å; C22-C28 PolarHBondContact SG-SG 3.41Å
23	P	83.1	Confident	69.3	Low	10 Å²	10	79.3 Å²	79.3	7%	0.065	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-60.3	154.9	177.6	-19.4	28.7	0	0	0	113.2	G25 C26 I49	P23-G25 PolarHBondContact O-N 3.4Å; P23-C26 HydrophobicContact CB-CB 4.3Å; P23-C26 HydrophobicContact CG-CB 4.49Å; P23-C26 WeakPolarHBondContact O-CB 2.98Å; P23-C26 PolarHBondContact O-N 2.99Å; P23-I49 HydrophobicContact CG-CB 4.39Å; P23-I49 HydrophobicContact CG-CG1 3.54Å
24	T	82.3	Confident	71.3	Confident	89 Å²	89	79.8 Å²	79.8	55%	0.546	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.8	174.6	-44	0	0	0	0	110.9	C26 V41 F43	T24-C26 VanDerWaalsContact C-N 3.31Å; T24-V41 HydrophobicContact CG2-CG1 3.68Å; T24-F43 WeakPolarHBondContact O-CD1 3.27Å
25	G	85.3	Confident	73.7	Confident	27 Å²	27	69.8 Å²	69.8	28%	0.278	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	9.8	-177.7	0	0	0	0	0	114.9	P23 S36	P23-G25 PolarHBondContact O-N 3.4Å; G25-S36 PolarHBondContact O-N 3.05Å; G25-S36 VanDerWaalsContact O-N 3.16Å
26	C	89.4	Confident	76	Confident	19 Å²	19	63.1 Å²	63.1	13%	0.128	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.9	178	-52.9	0	0	0	0	112.9	C22 P23 T24 V33 L34 C35	C22-C26 VanDerWaalsContact SG-C 3.59Å; C22-C26 PolarHBondContact SG-O 3.38Å; C22-C26 VanDerWaalsContact SG-O 3.35Å; P23-C26 HydrophobicContact CB-CB 4.3Å; P23-C26 HydrophobicContact CG-CB 4.49Å; P23-C26 WeakPolarHBondContact O-CB 2.98Å; P23-C26 PolarHBondContact O-N 2.99Å; T24-C26 VanDerWaalsContact C-N 3.31Å; C26-V33 HydrophobicContact CB-CG1 4.24Å; C26-L34 CarbonylContact C-O 3.54Å; C26-L34 VanDerWaalsContact CA-O 3.3Å; C26-L34 WeakPolarHBondContact CA-O 3.37Å; C26-C35 HydrophobicContact CB-CB 4.02Å; C26-C35 WeakPolarHBondContact CB-SG 3.41Å; C26-C35 WeakPolarHBondContact SG-CB 3.33Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 3.41Å
27	I	88	Confident	78.3	Confident	68 Å²	68	60.4 Å²	60.4	35%	0.349	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.2	170.3	-57.7	174.2	0	0	0	107.5	A13 V33 L34	A13-I27 HydrophobicContact CB-CD1 4.47Å; A13-I27 HydrophobicContact CB-CG2 4.08Å; I27-V33 WeakPolarHBondContact O-CA 3.5Å; I27-L34 PolarHBondContact N-O 3.48Å; I27-L34 PolarHBondContact O-N 3.13Å
28	C	87	Confident	80.1	Confident	38 Å²	38	55.8 Å²	55.8	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.2	179.2	-62	0	0	0	0	109.1	C22 I52	C22-C28 WeakPolarHBondContact CA-SG 3.41Å; C22-C28 HydrophobicContact CB-CB 3.79Å; C22-C28 WeakPolarHBondContact CB-SG 3.36Å; C22-C28 WeakPolarHBondContact SG-CB 3.39Å; C22-C28 PolarHBondContact SG-N 3.32Å; C22-C28 CovalentContact SG-SG 2.04Å; C22-C28 PolarHBondContact SG-SG 3.41Å; C28-I52 HydrophobicContact CB-CD1 4.38Å
29	A	83.1	Confident	81.4	Confident	38 Å²	38	54 Å²	54	31%	0.314	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.6	-179	0	0	0	0	0	110.9	T31 V32	A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 3.12Å; A29-V32 PolarHBondContact N-O 3.35Å; A29-V32 PolarHBondContact O-N 2.78Å
30	N	76.4	Confident	82.4	Confident	169 Å²	169	56.6 Å²	56.6	90%	0.904	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-80.4	179.8	-65	-22	0	0	0	114.8
31	T	86.4	Confident	83	Confident	68 Å²	68	56.3 Å²	56.3	42%	0.417	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	14.2	-176.7	58.1	0	0	0	0	112.5	A29 Y54 G56 K57	A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 3.12Å; T31-Y54 HydrophobicContact CG2-CD1 4.43Å; T31-G56 CarbonylContact O-C 3.51Å; T31-G56 VanDerWaalsContact O-CA 3.24Å; T31-G56 WeakPolarHBondContact O-CA 3.32Å; T31-G56 PolarHBondContact O-N 2.73Å; T31-K57 PolarHBondContact O-N 2.03Å
32	V	90.5	Very high	83.2	Confident	44 Å²	44	58.7 Å²	58.7	27%	0.267	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.7	179.5	-177.1	0	0	0	0	109.9	A29 K57 F59	A29-V32 PolarHBondContact N-O 3.35Å; A29-V32 PolarHBondContact O-N 2.78Å; V32-K57 CarbonylContact C-O 3.55Å; V32-K57 VanDerWaalsContact CA-O 3.28Å; V32-K57 WeakPolarHBondContact CA-O 3.49Å; V32-K57 HydrophobicContact CG2-CB 4.43Å; V32-F59 HydrophobicContact CG1-CD2 3.99Å; V32-F59 HydrophobicContact CG1-CE2 4.17Å
33	V	91.4	Very high	83.3	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.2	168.5	179.4	0	0	0	0	107.8	C26 I27 I49 I55 K57 I58 F59	C26-V33 HydrophobicContact CB-CG1 4.24Å; I27-V33 WeakPolarHBondContact O-CA 3.5Å; V33-I49 HydrophobicContact CG1-CD1 4.38Å; V33-I55 HydrophobicContact CG2-CD1 3.83Å; V33-I55 HydrophobicContact CG2-CG1 4.37Å; V33-I55 HydrophobicContact CG2-CG2 4.18Å; V33-K57 PolarHBondContact N-O 3.23Å; V33-I58 HydrophobicContact CB-CG1 4.3Å; V33-I58 HydrophobicContact CB-CG2 4.36Å; V33-I58 CarbonylContact O-C 3.55Å; V33-I58 WeakPolarHBondContact O-CA 3.3Å; V33-F59 PolarHBondContact O-N 3.4Å
34	L	92.2	Very high	83.6	Confident	36 Å²	36	61 Å²	61	19%	0.188	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113	177.3	177.7	66	0	0	0	109.2	C26 I27 F59	C26-L34 CarbonylContact C-O 3.54Å; C26-L34 VanDerWaalsContact CA-O 3.3Å; C26-L34 WeakPolarHBondContact CA-O 3.37Å; I27-L34 PolarHBondContact N-O 3.48Å; I27-L34 PolarHBondContact O-N 3.13Å; L34-F59 CarbonylContact C-O 3.58Å; L34-F59 WeakPolarHBondContact CA-O 3.07Å; L34-F59 HydrophobicContact CD1-CB 3.62Å; L34-F59 HydrophobicContact CD1-CG 4.49Å
35	C	92.2	Very high	84	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.4	177.5	-56	0	0	0	0	110	C26 F43 F59 V60 H61	C26-C35 HydrophobicContact CB-CB 4.02Å; C26-C35 WeakPolarHBondContact CB-SG 3.41Å; C26-C35 WeakPolarHBondContact SG-CB 3.33Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 3.41Å; C35-F43 HydrophobicContact CB-CE1 4.42Å; C35-F43 HydrophobicContact CB-CZ 3.92Å; C35-F59 PolarHBondContact N-O 3.38Å; C35-V60 HydrophobicContact CB-CB 4.36Å; C35-V60 HydrophobicContact CB-CG1 4.08Å; C35-V60 HydrophobicContact CB-CG2 4.11Å; C35-V60 WeakPolarHBondContact O-CA 3.2Å; C35-H61 PolarHBondContact O-CD2 2.98Å; C35-H61 PolarHBondContact O-N 2.04Å
36	S	90	Very high	84.3	Confident	24 Å²	24	60.1 Å²	60.1	17%	0.168	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.6	176.3	-177.4	0	0	0	0	110.8	G25 S38 H61	G25-S36 PolarHBondContact O-N 3.05Å; G25-S36 VanDerWaalsContact O-N 3.16Å; S36-S38 PolarHBondContact OG-N 3.05Å; S36-S38 VanDerWaalsContact OG-N 3.11Å; S36-S38 PolarHBondContact OG-OG 3.46Å; S36-H61 WeakPolarHBondContact CA-O 3.47Å; S36-H61 PolarHBondContact OG-CE1 2.9Å; S36-H61 VanDerWaalsContact OG-CE1 3.29Å
37	C	87.3	Confident	84.2	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.041	36%	0.355	C	S	.	.			trans	-95.4	4.4	170.3	-55.3	0	0	0	0	112.8	G39 F43 H61 S62 C63	C37-G39 PolarHBondContact O-N 2.93Å; C37-F43 PolarHBondContact SG-O 2.86Å; C37-F43 VanDerWaalsContact SG-O 3.4Å; C37-H61 PolarHBondContact N-O 3.02Å; C37-S62 WeakPolarHBondContact CB-O 3.35Å; C37-C63 HydrophobicContact CB-CB 3.61Å; C37-C63 WeakPolarHBondContact CB-SG 3.39Å; C37-C63 WeakPolarHBondContact SG-CB 3.5Å; C37-C63 CovalentContact SG-SG 2.04Å; C37-C63 PolarHBondContact SG-SG 2.89Å
38	S	78.3	Confident	84	Confident	80 Å²	80	61 Å²	61	56%	0.559	36%	0.355	S	S	*	.	S	Bend	trans	-85	87.2	173.4	72.3	0	0	0	0	109.8	S36	S36-S38 PolarHBondContact OG-N 3.05Å; S36-S38 VanDerWaalsContact OG-N 3.11Å; S36-S38 PolarHBondContact OG-OG 3.46Å
39	G	70.9	Confident	83.8	Confident	53 Å²	53	59.2 Å²	59.2	55%	0.546	34%	0.343	S	S	.	.	S	Bend	trans	168.4	-167	179.8	0	0	0	0	0	113.5	C37 V41	C37-G39 PolarHBondContact O-N 2.93Å; G39-V41 PolarHBondContact O-N 2.94Å
40	E	66.8	Low	83.7	Confident	206 Å²	206	66.2 Å²	66.2	96%	0.963	36%	0.362	S	S	*	.	S	Bend	trans	-66.3	-24.9	177.7	-67.8	-171.7	165.2	0	0	113.2
41	V	69.1	Low	83.7	Confident	74 Å²	74	61.4 Å²	61.4	45%	0.448	35%	0.352	S	S	.	.			trans	-107.7	102.1	-178	-175.6	0	0	0	0	109.3	T24 G39	T24-V41 HydrophobicContact CG2-CG1 3.68Å; G39-V41 PolarHBondContact O-N 2.94Å
42	Q	75.7	Confident	83.3	Confident	141 Å²	141	60.2 Å²	60.2	66%	0.659	34%	0.342	S	S	*	.			trans	-96	141.8	170.7	-69.4	-176.2	-10.8	0	0	110.1
43	F	84.7	Confident	82.8	Confident	21 Å²	21	65.9 Å²	65.9	9%	0.092	37%	0.366	C	S	.	.			trans	-137	142.5	171.8	65.5	-88.6	0	0	0	109.6	T24 C35 C37 I45 L46 V60 L66	T24-F43 WeakPolarHBondContact O-CD1 3.27Å; C35-F43 HydrophobicContact CB-CE1 4.42Å; C35-F43 HydrophobicContact CB-CZ 3.92Å; C37-F43 PolarHBondContact SG-O 2.86Å; C37-F43 VanDerWaalsContact SG-O 3.4Å; F43-I45 WeakPolarHBondContact CD2-O 3.34Å; F43-L46 HydrophobicContact CE2-CD1 4.38Å; F43-V60 HydrophobicContact CZ-CG1 4.44Å; F43-L66 HydrophobicContact CD2-CD1 4.23Å; F43-L66 HydrophobicContact CE2-CD1 3.69Å
44	D	88.6	Confident	82.7	Confident	79 Å²	79	71 Å²	71	42%	0.422	39%	0.386	S	S	.	.	S	Bend	trans	-102.5	-10.6	179.6	-69.4	-27.9	0	0	0	112.8	L66 T67	D44-L66 CarbonylContact O-C 3.48Å; D44-L66 WeakPolarHBondContact O-CA 2.97Å; D44-T67 PolarHBondContact O-N 3.03Å
45	I	90.1	Very high	82.6	Confident	95 Å²	95	69.3 Å²	69.3	49%	0.487	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-130.4	125.5	-177.4	-56.7	177	0	0	0	108.4	F43 S47 T67 P69	F43-I45 WeakPolarHBondContact CD2-O 3.34Å; I45-S47 PolarHBondContact O-N 2.82Å; I45-T67 WeakPolarHBondContact CA-O 3.38Å; I45-P69 HydrophobicContact CG2-CB 4.41Å; I45-P69 HydrophobicContact CG2-CG 3.91Å
46	L	91.2	Very high	82.6	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	38%	0.378	C	S	.	.			trans	-69.7	105.8	173.3	-176.2	63.4	0	0	0	108.9	F43 V60 L66 T67 P69 F73	F43-L46 HydrophobicContact CE2-CD1 4.38Å; L46-V60 HydrophobicContact CD1-CG2 4.43Å; L46-V60 HydrophobicContact CD2-CG2 4.45Å; L46-L66 HydrophobicContact CB-CD1 4.23Å; L46-T67 PolarHBondContact N-O 2.92Å; L46-P69 WeakPolarHBondContact O-CD 3.28Å; L46-P69 WeakPolarHBondContact O-CG 3.39Å; L46-F73 HydrophobicContact CD2-CE1 4.15Å; L46-F73 HydrophobicContact CD2-CZ 3.87Å
47	S	87.6	Confident	82.8	Confident	50 Å²	50	71.4 Å²	71.4	35%	0.35	38%	0.384	S	S	.	.			trans	-63.6	138.8	177.5	-60.1	0	0	0	0	109.9	I45 I49	I45-S47 PolarHBondContact O-N 2.82Å; S47-I49 PolarHBondContact O-N 2.75Å
48	P	84.6	Confident	83.2	Confident	55 Å²	55	71.2 Å²	71.2	36%	0.357	38%	0.382	S	S	.	.			trans	-56.5	128.7	-178.2	-25.6	33.6	0	0	0	111.9	R50 A72	P48-R50 PolarHBondContact O-N 2.87Å; P48-A72 WeakPolarHBondContact CA-O 3.39Å
49	I	83.2	Confident	84	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	37%	0.366	C	S	.	.			trans	-77.2	113.8	176.9	-54.9	159.1	0	0	0	107	P23 V33 S47 I52 I55 I58 A72 F73 L76	P23-I49 HydrophobicContact CG-CB 4.39Å; P23-I49 HydrophobicContact CG-CG1 3.54Å; V33-I49 HydrophobicContact CG1-CD1 4.38Å; S47-I49 PolarHBondContact O-N 2.75Å; I49-I52 HydrophobicContact CG2-CD1 4.03Å; I49-I55 HydrophobicContact CD1-CD1 4.43Å; I49-I55 HydrophobicContact CG2-CD1 3.97Å; I49-I58 HydrophobicContact CD1-CD1 3.87Å; I49-A72 PolarHBondContact N-O 3.46Å; I49-F73 HydrophobicContact CD1-CD1 4.48Å; I49-F73 HydrophobicContact CD1-CE1 4.46Å; I49-L76 HydrophobicContact CB-CD1 3.78Å; I49-L76 HydrophobicContact CB-CD2 4.28Å; I49-L76 HydrophobicContact CD1-CD1 4.09Å; I49-L76 HydrophobicContact CG1-CD1 4.48Å; I49-L76 HydrophobicContact CG2-CD1 4.26Å; I49-L76 HydrophobicContact CG2-CD2 4.06Å; I49-L76 WeakPolarHBondContact O-CD2 3.49Å
50	R	81.3	Confident	85.1	Confident	185 Å²	185	67.3 Å²	67.3	70%	0.698	34%	0.34	S	S	*	.			trans	-115.6	155.1	-179	-65.6	-172.1	178.8	-166.3	0.4	110.8	N21 P48 I52	N21-R50 WeakPolarHBondContact CB-O 3.03Å; P48-R50 PolarHBondContact O-N 2.87Å; R50-I52 VanDerWaalsContact C-N 3.28Å; R50-I52 PolarHBondContact O-N 2.98Å
51	G	74.6	Confident	86.5	Confident	67 Å²	67	58.9 Å²	58.9	69%	0.691	30%	0.301	S	S	*	.	S	Bend	trans	71.7	13	171.5	0	0	0	0	0	116.1
52	I	78	Confident	87.6	Confident	44 Å²	44	57 Å²	57	23%	0.226	29%	0.291	C	S	.	.			trans	-118.8	109.8	169.3	-55.2	175.8	0	0	0	107.2	C28 I49 R50 I55 L76	C28-I52 HydrophobicContact CB-CD1 4.38Å; I49-I52 HydrophobicContact CG2-CD1 4.03Å; R50-I52 VanDerWaalsContact C-N 3.28Å; R50-I52 PolarHBondContact O-N 2.98Å; I52-I55 HydrophobicContact CB-CD1 4.34Å; I52-I55 HydrophobicContact CB-CG1 4.36Å; I52-I55 HydrophobicContact CG2-CD1 4.06Å; I52-I55 HydrophobicContact CG2-CG1 3.56Å; I52-L76 WeakPolarHBondContact O-CD2 3.21Å
53	E	80.6	Confident	88.4	Confident	162 Å²	162	50.4 Å²	50.4	76%	0.757	26%	0.261	S	S	*	.	S	Bend	trans	-72.7	-38.7	-174.7	-67.2	-177.5	175	0	0	112.8	A77	E53-A77 VanDerWaalsContact O-CB 3.27Å; E53-A77 WeakPolarHBondContact O-CB 3.21Å; E53-A77 PolarHBondContact O-N 3.11Å
54	Y	89.3	Confident	88.7	Confident	109 Å²	109	52.3 Å²	52.3	43%	0.427	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.8	-178	-178.1	-95	0	0	0	112.3	T31 A77	T31-Y54 HydrophobicContact CG2-CD1 4.43Å; Y54-A77 WeakPolarHBondContact CA-O 3.35Å; Y54-A77 HydrophobicContact CD2-CB 4.06Å; Y54-A77 WeakPolarHBondContact CD2-O 3.41Å
55	I	90.6	Very high	89	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.2	174.2	-62.2	168.5	0	0	0	108.6	V33 I49 I52 K57 I58 L76 A77 V78 G79	V33-I55 HydrophobicContact CG2-CD1 3.83Å; V33-I55 HydrophobicContact CG2-CG1 4.37Å; V33-I55 HydrophobicContact CG2-CG2 4.18Å; I49-I55 HydrophobicContact CD1-CD1 4.43Å; I49-I55 HydrophobicContact CG2-CD1 3.97Å; I52-I55 HydrophobicContact CB-CD1 4.34Å; I52-I55 HydrophobicContact CB-CG1 4.36Å; I52-I55 HydrophobicContact CG2-CD1 4.06Å; I52-I55 HydrophobicContact CG2-CG1 3.56Å; I55-K57 WeakPolarHBondContact CG2-O 3.35Å; I55-I58 HydrophobicContact CB-CG1 4.48Å; I55-I58 HydrophobicContact CD1-CD1 4.19Å; I55-I58 HydrophobicContact CD1-CG1 4.46Å; I55-I58 HydrophobicContact CG2-CD1 4.27Å; I55-I58 HydrophobicContact CG2-CG1 3.6Å; I55-L76 HydrophobicContact CD1-CD1 4.22Å; I55-L76 HydrophobicContact CD1-CD2 4.11Å; I55-A77 PolarHBondContact N-O 3.02Å; I55-V78 CarbonylContact O-C 3.53Å; I55-V78 VanDerWaalsContact O-CA 3.27Å; I55-V78 WeakPolarHBondContact O-CA 3.32Å; I55-G79 PolarHBondContact O-N 3.21Å
56	G	91.9	Very high	89.2	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-57	172.4	0	0	0	0	0	111.2	T31 Q80 E81	T31-G56 CarbonylContact O-C 3.51Å; T31-G56 VanDerWaalsContact O-CA 3.24Å; T31-G56 WeakPolarHBondContact O-CA 3.32Å; T31-G56 PolarHBondContact O-N 2.73Å; G56-Q80 WeakPolarHBondContact O-CA 3.09Å; G56-Q80 VanDerWaalsContact O-CB 3.27Å; G56-Q80 WeakPolarHBondContact O-CB 3Å; G56-Q80 PolarHBondContact O-N 2.71Å; G56-E81 PolarHBondContact O-N 3.45Å; G56-E81 VanDerWaalsContact O-N 3.14Å
57	K	94.9	Very high	89.4	Confident	65 Å²	65	51.8 Å²	51.8	28%	0.283	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.5	-175.5	-55.6	-168.1	-179.1	-162.9	0	113.5	T31 V32 V33 I55 F59 Q80 E81	T31-K57 PolarHBondContact O-N 2.03Å; V32-K57 CarbonylContact C-O 3.55Å; V32-K57 VanDerWaalsContact CA-O 3.28Å; V32-K57 WeakPolarHBondContact CA-O 3.49Å; V32-K57 HydrophobicContact CG2-CB 4.43Å; V33-K57 PolarHBondContact N-O 3.23Å; I55-K57 WeakPolarHBondContact CG2-O 3.35Å; K57-F59 HydrophobicContact CB-CD2 4.29Å; K57-F59 HydrophobicContact CB-CE2 3.6Å; K57-F59 HydrophobicContact CB-CZ 4.07Å; K57-F59 HydrophobicContact CD-CE2 3.84Å; K57-F59 HydrophobicContact CD-CZ 3.7Å; K57-F59 HydrophobicContact CG-CE2 4.38Å; K57-Q80 HydrophobicContact CG-CB 4.2Å; K57-E81 CarbonylContact C-O 3.51Å; K57-E81 VanDerWaalsContact CA-O 3.22Å; K57-E81 WeakPolarHBondContact CA-O 3.19Å; K57-E81 HydrophobicContact CD-CB 4.4Å; K57-E81 HydrophobicContact CG-CB 4.19Å; K57-E81 IonicContact NZ-OE2 3.08Å
58	I	94.4	Very high	89.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.8	172	-56.8	175.5	0	0	0	108.1	V33 I49 I55 V60 F73 V78 E81 I82 S83	V33-I58 HydrophobicContact CB-CG1 4.3Å; V33-I58 HydrophobicContact CB-CG2 4.36Å; V33-I58 CarbonylContact O-C 3.55Å; V33-I58 WeakPolarHBondContact O-CA 3.3Å; I49-I58 HydrophobicContact CD1-CD1 3.87Å; I55-I58 HydrophobicContact CB-CG1 4.48Å; I55-I58 HydrophobicContact CD1-CD1 4.19Å; I55-I58 HydrophobicContact CD1-CG1 4.46Å; I55-I58 HydrophobicContact CG2-CD1 4.27Å; I55-I58 HydrophobicContact CG2-CG1 3.6Å; I58-V60 HydrophobicContact CG2-CG2 4.26Å; I58-F73 HydrophobicContact CD1-CD1 3.97Å; I58-F73 HydrophobicContact CD1-CE1 3.87Å; I58-V78 HydrophobicContact CD1-CG2 3.91Å; I58-E81 PolarHBondContact N-O 2.76Å; I58-I82 HydrophobicContact CB-CG1 4.22Å; I58-I82 HydrophobicContact CB-CG2 4.35Å; I58-I82 HydrophobicContact CD1-CD1 4.33Å; I58-I82 HydrophobicContact CD1-CG1 4.24Å; I58-I82 HydrophobicContact CG1-CG1 4.49Å; I58-I82 CarbonylContact O-C 3.28Å; I58-I82 WeakPolarHBondContact O-CA 3.35Å; I58-S83 PolarHBondContact O-N 2.91Å
59	F	95.2	Very high	90.2	Very high	50 Å²	50	48 Å²	48	22%	0.219	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.2	175.4	-64.4	-76.2	0	0	0	109.2	V32 V33 L34 C35 K57 S83	V32-F59 HydrophobicContact CG1-CD2 3.99Å; V32-F59 HydrophobicContact CG1-CE2 4.17Å; V33-F59 PolarHBondContact O-N 3.4Å; L34-F59 CarbonylContact C-O 3.58Å; L34-F59 WeakPolarHBondContact CA-O 3.07Å; L34-F59 HydrophobicContact CD1-CB 3.62Å; L34-F59 HydrophobicContact CD1-CG 4.49Å; C35-F59 PolarHBondContact N-O 3.38Å; K57-F59 HydrophobicContact CB-CD2 4.29Å; K57-F59 HydrophobicContact CB-CE2 3.6Å; K57-F59 HydrophobicContact CB-CZ 4.07Å; K57-F59 HydrophobicContact CD-CE2 3.84Å; K57-F59 HydrophobicContact CD-CZ 3.7Å; K57-F59 HydrophobicContact CG-CE2 4.38Å; F59-S83 CarbonylContact C-O 3.49Å; F59-S83 WeakPolarHBondContact CA-O 3.21Å
60	V	94.8	Very high	90.7	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.1	173	-171.2	0	0	0	0	108.3	C35 F43 L46 I58 L66 S83 I84 M85	C35-V60 HydrophobicContact CB-CB 4.36Å; C35-V60 HydrophobicContact CB-CG1 4.08Å; C35-V60 HydrophobicContact CB-CG2 4.11Å; C35-V60 WeakPolarHBondContact O-CA 3.2Å; F43-V60 HydrophobicContact CZ-CG1 4.44Å; L46-V60 HydrophobicContact CD1-CG2 4.43Å; L46-V60 HydrophobicContact CD2-CG2 4.45Å; I58-V60 HydrophobicContact CG2-CG2 4.26Å; V60-L66 HydrophobicContact CB-CD2 4.41Å; V60-L66 HydrophobicContact CG1-CD1 4.49Å; V60-L66 HydrophobicContact CG1-CD2 3.55Å; V60-S83 PolarHBondContact N-O 3.46Å; V60-I84 HydrophobicContact CB-CG1 4.47Å; V60-I84 CarbonylContact O-C 3.59Å; V60-I84 WeakPolarHBondContact O-CA 3.4Å; V60-M85 PolarHBondContact O-N 2.91Å
61	H	95	Very high	91.3	Very high	29 Å²	29	43.6 Å²	43.6	13%	0.134	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	161.9	-174.5	72.7	89.6	0	0	0	116.3	C35 S36 C37 C63 M85	C35-H61 PolarHBondContact O-CD2 2.98Å; C35-H61 PolarHBondContact O-N 2.04Å; S36-H61 WeakPolarHBondContact CA-O 3.47Å; S36-H61 PolarHBondContact OG-CE1 2.9Å; S36-H61 VanDerWaalsContact OG-CE1 3.29Å; C37-H61 PolarHBondContact N-O 3.02Å; H61-C63 PolarHBondContact O-N 3.2Å; H61-C63 PolarHBondContact O-SG 3.17Å; H61-M85 WeakPolarHBondContact CA-O 3.49Å; H61-M85 HydrophobicContact CB-CG 3.37Å; H61-M85 HydrophobicContact CB-SD 4.21Å
62	S	92.9	Very high	92.2	Very high	35 Å²	35	40.4 Å²	40.4	25%	0.245	20%	0.203	C	C	.	.			trans	58.6	43.2	168.4	-48.5	0	0	0	0	114.2	C37 M85 E86	C37-S62 WeakPolarHBondContact CB-O 3.35Å; S62-M85 PolarHBondContact N-O 3.23Å; S62-E86 WeakPolarHBondContact CA-O 3.38Å; S62-E86 PolarHBondContact OG-OE2 2.8Å; S62-E86 VanDerWaalsContact OG-OE2 3.12Å
63	C	92.3	Very high	92.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.02	19%	0.193	C	C	.	.			trans	-106	136.9	175.4	-51.2	0	0	0	0	111.8	C37 H61 L66 I87 Q88	C37-C63 HydrophobicContact CB-CB 3.61Å; C37-C63 WeakPolarHBondContact CB-SG 3.39Å; C37-C63 WeakPolarHBondContact SG-CB 3.5Å; C37-C63 CovalentContact SG-SG 2.04Å; C37-C63 PolarHBondContact SG-SG 2.89Å; H61-C63 PolarHBondContact O-N 3.2Å; H61-C63 PolarHBondContact O-SG 3.17Å; C63-L66 HydrophobicContact CB-CB 4.37Å; C63-I87 HydrophobicContact CB-CD1 3.7Å; C63-I87 WeakPolarHBondContact O-CA 3.2Å; C63-Q88 PolarHBondContact O-N 3.38Å; C63-Q88 VanDerWaalsContact O-N 3.11Å
64	S	91.8	Very high	93.4	Very high	61 Å²	61	32.6 Å²	32.6	43%	0.427	17%	0.172	S	C	.	.	S	Bend	trans	-67	-41	172.7	52.4	0	0	0	0	111	Q88 N89	S64-Q88 WeakPolarHBondContact O-CB 3.24Å; S64-N89 PolarHBondContact O-N 3.13Å
65	R	93.6	Very high	93.4	Very high	136 Å²	136	29.1 Å²	29.1	51%	0.513	17%	0.17	S	C	.	.	S	Bend	trans	-135.9	141.6	174	-178.7	-177.3	-66.8	-151.7	0.7	109.2	N89	R65-N89 CarbonylContact C-O 3.47Å; R65-N89 WeakPolarHBondContact CA-O 3.39Å
66	L	94.9	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	129.5	172.9	-178.2	64.8	0	0	0	110	F43 D44 L46 V60 C63 I84 I87 N89 L90 T91	F43-L66 HydrophobicContact CD2-CD1 4.23Å; F43-L66 HydrophobicContact CE2-CD1 3.69Å; D44-L66 CarbonylContact O-C 3.48Å; D44-L66 WeakPolarHBondContact O-CA 2.97Å; L46-L66 HydrophobicContact CB-CD1 4.23Å; V60-L66 HydrophobicContact CB-CD2 4.41Å; V60-L66 HydrophobicContact CG1-CD1 4.49Å; V60-L66 HydrophobicContact CG1-CD2 3.55Å; C63-L66 HydrophobicContact CB-CB 4.37Å; L66-I84 HydrophobicContact CD2-CG2 4.3Å; L66-I87 HydrophobicContact CB-CG2 3.72Å; L66-I87 HydrophobicContact CD2-CD1 4.08Å; L66-I87 HydrophobicContact CD2-CG1 4.29Å; L66-N89 PolarHBondContact N-O 3.5Å; L66-L90 HydrophobicContact CB-CD1 4.16Å; L66-L90 HydrophobicContact CD2-CD1 4.07Å; L66-L90 HydrophobicContact CG-CD1 4.16Å; L66-L90 WeakPolarHBondContact O-CA 3.48Å; L66-T91 PolarHBondContact O-N 3.36Å
67	T	95.1	Very high	93.4	Very high	28 Å²	28	29.8 Å²	29.8	17%	0.172	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.5	170.1	-50.3	0	0	0	0	108.5	D44 I45 L46 P69 T91 D93	D44-T67 PolarHBondContact O-N 3.03Å; I45-T67 WeakPolarHBondContact CA-O 3.38Å; L46-T67 PolarHBondContact N-O 2.92Å; T67-P69 WeakPolarHBondContact O-CD 3.42Å; T67-T91 WeakPolarHBondContact CA-O 3.27Å; T67-T91 HydrophobicContact CG2-CG2 4.47Å; T67-D93 WeakPolarHBondContact CG2-OD2 3.16Å
68	I	95	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	103.3	168.8	-57.7	-178.8	0	0	0	106.6	A72 F73 I84 L90 T91 I92 D93 A96	I68-A72 HydrophobicContact CG2-CB 3.79Å; I68-F73 HydrophobicContact CG2-CE2 3.89Å; I68-F73 HydrophobicContact CG2-CZ 4.49Å; I68-I84 HydrophobicContact CD1-CD1 3.39Å; I68-I84 HydrophobicContact CD1-CG1 4.42Å; I68-L90 HydrophobicContact CD1-CD1 4.34Å; I68-L90 HydrophobicContact CG1-CD1 4.33Å; I68-T91 PolarHBondContact N-O 3.12Å; I68-I92 HydrophobicContact CD1-CG1 4.39Å; I68-D93 WeakPolarHBondContact O-CB 3.47Å; I68-D93 PolarHBondContact O-N 3.36Å; I68-A96 HydrophobicContact CG2-CB 3.85Å
69	P	94.7	Very high	93.1	Very high	25 Å²	25	26.8 Å²	26.8	16%	0.162	16%	0.163	C	C	.	.			trans	-74.2	170.4	-175.3	32.7	-36.8	0	0	0	111.4	I45 L46 T67 A72 A96	I45-P69 HydrophobicContact CG2-CB 4.41Å; I45-P69 HydrophobicContact CG2-CG 3.91Å; L46-P69 WeakPolarHBondContact O-CD 3.28Å; L46-P69 WeakPolarHBondContact O-CG 3.39Å; T67-P69 WeakPolarHBondContact O-CD 3.42Å; P69-A72 HydrophobicContact CG-CB 4.21Å; P69-A72 WeakPolarHBondContact O-CB 3.4Å; P69-A72 PolarHBondContact O-N 3.3Å; P69-A96 WeakPolarHBondContact O-CA 3.24Å
70	A	94.5	Very high	93	Very high	43 Å²	43	29.2 Å²	29.2	36%	0.355	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.3	168.9	0	0	0	0	0	111.5	A72 P94	A70-A72 PolarHBondContact O-N 3.03Å; A70-A72 VanDerWaalsContact O-N 3.13Å; A70-P94 WeakPolarHBondContact CB-O 3.48Å
71	D	93.2	Very high	93	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	21.1	175.9	-50.9	-51.3	0	0	0	114.8	F73 A74 F95 R98	D71-F73 PolarHBondContact O-N 2.04Å; D71-F73 VanDerWaalsContact O-N 3.1Å; D71-A74 HydrophobicContact CB-CB 3.93Å; D71-A74 WeakPolarHBondContact O-CB 3.38Å; D71-A74 PolarHBondContact O-N 2.93Å; D71-A74 VanDerWaalsContact O-N 3.1Å; D71-F95 PolarHBondContact N-O 2.93Å; D71-F95 VanDerWaalsContact N-O 3.08Å; D71-R98 VanDerWaalsContact CG-NH2 3.31Å; D71-R98 IonicContact OD1-CZ 3.32Å; D71-R98 VanDerWaalsContact OD1-CZ 3.32Å; D71-R98 IonicContact OD1-NE 3.96Å; D71-R98 PolarHBondContact OD1-NE 2.87Å; D71-R98 IonicContact OD1-NH2 3.05Å; D71-R98 PolarHBondContact OD1-NH2 3.14Å; D71-R98 IonicContact OD2-CZ 3.76Å; D71-R98 IonicContact OD2-NE 2.96Å; D71-R98 IonicContact OD2-NH2 2.74Å; D71-R98 PolarHBondContact OD2-NH2 2.95Å
72	A	92.4	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.9	-178.1	0	0	0	0	0	113.8	P48 I49 I68 P69 A70 A96	P48-A72 WeakPolarHBondContact CA-O 3.39Å; I49-A72 PolarHBondContact N-O 3.46Å; I68-A72 HydrophobicContact CG2-CB 3.79Å; P69-A72 HydrophobicContact CG-CB 4.21Å; P69-A72 WeakPolarHBondContact O-CB 3.4Å; P69-A72 PolarHBondContact O-N 3.3Å; A70-A72 PolarHBondContact O-N 3.03Å; A70-A72 VanDerWaalsContact O-N 3.13Å; A72-A96 PolarHBondContact N-O 3.16Å
73	F	92.5	Very high	93.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	13.5	-179.6	-53.6	-77.6	0	0	0	113.5	L46 I49 I58 I68 D71 G75 L76 I82 F97 M100	L46-F73 HydrophobicContact CD2-CE1 4.15Å; L46-F73 HydrophobicContact CD2-CZ 3.87Å; I49-F73 HydrophobicContact CD1-CD1 4.48Å; I49-F73 HydrophobicContact CD1-CE1 4.46Å; I58-F73 HydrophobicContact CD1-CD1 3.97Å; I58-F73 HydrophobicContact CD1-CE1 3.87Å; I68-F73 HydrophobicContact CG2-CE2 3.89Å; I68-F73 HydrophobicContact CG2-CZ 4.49Å; D71-F73 PolarHBondContact O-N 2.04Å; D71-F73 VanDerWaalsContact O-N 3.1Å; F73-G75 PolarHBondContact O-N 3.14Å; F73-L76 HydrophobicContact CB-CD1 3.98Å; F73-L76 HydrophobicContact CD1-CD1 3.95Å; F73-L76 HydrophobicContact CG-CD1 4.47Å; F73-L76 WeakPolarHBondContact O-CB 3.32Å; F73-L76 WeakPolarHBondContact O-CG 3.48Å; F73-L76 PolarHBondContact O-N 3.21Å; F73-L76 VanDerWaalsContact O-N 3.15Å; F73-I82 HydrophobicContact CD1-CD1 4.28Å; F73-I82 HydrophobicContact CE1-CD1 4.11Å; F73-I82 HydrophobicContact CZ-CD1 4.29Å; F73-I82 HydrophobicContact CZ-CG2 4.43Å; F73-F97 AromaticContact CD2-CD1 3.61Å; F73-F97 HydrophobicContact CD2-CD1 3.61Å; F73-F97 AromaticContact CD2-CE1 3.79Å; F73-F97 HydrophobicContact CD2-CE1 3.79Å; F73-F97 AromaticContact CE2-CD1 3.88Å; F73-F97 HydrophobicContact CE2-CD1 3.88Å; F73-F97 AromaticContact CE2-CE1 3.53Å; F73-F97 HydrophobicContact CE2-CE1 3.53Å; F73-F97 HydrophobicContact CE2-CZ 4.32Å; F73-F97 HydrophobicContact CZ-CE1 4.46Å; F73-M100 HydrophobicContact CB-CE 4.04Å; F73-M100 HydrophobicContact CB-CG 3.64Å; F73-M100 HydrophobicContact CB-SD 3.74Å; F73-M100 HydrophobicContact CG-SD 4.37Å; F73-M100 WeakPolarHBondContact O-CG 3.38Å
74	A	91.4	Very high	93.5	Very high	40 Å²	40	28.1 Å²	28.1	33%	0.331	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.6	-177.2	0	0	0	0	0	111.8	D71 L76	D71-A74 HydrophobicContact CB-CB 3.93Å; D71-A74 WeakPolarHBondContact O-CB 3.38Å; D71-A74 PolarHBondContact O-N 2.93Å; D71-A74 VanDerWaalsContact O-N 3.1Å; A74-L76 VanDerWaalsContact C-N 3.31Å
75	G	90.2	Very high	93.7	Very high	37 Å²	37	27.8 Å²	27.8	38%	0.381	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	0.1	-177.7	0	0	0	0	0	115.3	F73 G99 L101	F73-G75 PolarHBondContact O-N 3.14Å; G75-G99 PolarHBondContact N-O 3.26Å; G75-L101 WeakPolarHBondContact O-CD1 3.4Å
76	L	91.3	Very high	93.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	16%	0.156	C	C	.	.			trans	-94.5	139.5	179.3	-55.9	176.1	0	0	0	112.1	I49 I52 I55 F73 A74 V78 M100 L101 K102	I49-L76 HydrophobicContact CB-CD1 3.78Å; I49-L76 HydrophobicContact CB-CD2 4.28Å; I49-L76 HydrophobicContact CD1-CD1 4.09Å; I49-L76 HydrophobicContact CG1-CD1 4.48Å; I49-L76 HydrophobicContact CG2-CD1 4.26Å; I49-L76 HydrophobicContact CG2-CD2 4.06Å; I49-L76 WeakPolarHBondContact O-CD2 3.49Å; I52-L76 WeakPolarHBondContact O-CD2 3.21Å; I55-L76 HydrophobicContact CD1-CD1 4.22Å; I55-L76 HydrophobicContact CD1-CD2 4.11Å; F73-L76 HydrophobicContact CB-CD1 3.98Å; F73-L76 HydrophobicContact CD1-CD1 3.95Å; F73-L76 HydrophobicContact CG-CD1 4.47Å; F73-L76 WeakPolarHBondContact O-CB 3.32Å; F73-L76 WeakPolarHBondContact O-CG 3.48Å; F73-L76 PolarHBondContact O-N 3.21Å; F73-L76 VanDerWaalsContact O-N 3.15Å; A74-L76 VanDerWaalsContact C-N 3.31Å; L76-V78 HydrophobicContact CB-CG2 4.31Å; L76-M100 CarbonylContact O-C 3.46Å; L76-L101 PolarHBondContact O-N 2.78Å; L76-K102 PolarHBondContact O-N 2.96Å
77	A	91.8	Very high	93.9	Very high	17 Å²	17	25.9 Å²	25.9	14%	0.14	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	103.7	161.9	0	0	0	0	0	110	E53 Y54 I55 L101 K102	E53-A77 VanDerWaalsContact O-CB 3.27Å; E53-A77 WeakPolarHBondContact O-CB 3.21Å; E53-A77 PolarHBondContact O-N 3.11Å; Y54-A77 WeakPolarHBondContact CA-O 3.35Å; Y54-A77 HydrophobicContact CD2-CB 4.06Å; Y54-A77 WeakPolarHBondContact CD2-O 3.41Å; I55-A77 PolarHBondContact N-O 3.02Å; A77-L101 HydrophobicContact CB-CB 4.12Å; A77-K102 HydrophobicContact CB-CB 3.65Å
78	V	93	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.7	176.9	-171.8	0	0	0	0	110.2	I55 I58 L76 I82 M100 K102 Y103 P104	I55-V78 CarbonylContact O-C 3.53Å; I55-V78 VanDerWaalsContact O-CA 3.27Å; I55-V78 WeakPolarHBondContact O-CA 3.32Å; I58-V78 HydrophobicContact CD1-CG2 3.91Å; L76-V78 HydrophobicContact CB-CG2 4.31Å; V78-I82 HydrophobicContact CG1-CD1 4.35Å; V78-I82 HydrophobicContact CG1-CG1 3.88Å; V78-I82 HydrophobicContact CG2-CD1 4.24Å; V78-M100 HydrophobicContact CB-CE 4.04Å; V78-M100 HydrophobicContact CG2-CE 3.62Å; V78-K102 PolarHBondContact N-O 3.17Å; V78-Y103 CarbonylContact O-C 3.6Å; V78-Y103 VanDerWaalsContact O-C 3.28Å; V78-P104 HydrophobicContact CB-CB 4.3Å; V78-P104 HydrophobicContact CG1-CB 3.86Å; V78-P104 WeakPolarHBondContact O-CA 3.45Å
79	G	89.2	Confident	93.8	Very high	3 Å²	3	34 Å²	34	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-43.5	-170.3	0	0	0	0	0	115.3	I55	I55-G79 PolarHBondContact O-N 3.21Å
80	Q	93.6	Very high	93.9	Very high	100 Å²	100	32.8 Å²	32.8	47%	0.467	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-62.6	-168.5	-57.6	177.9	-18.8	0	0	112.4	G56 K57 D105 Q106	G56-Q80 WeakPolarHBondContact O-CA 3.09Å; G56-Q80 VanDerWaalsContact O-CB 3.27Å; G56-Q80 WeakPolarHBondContact O-CB 3Å; G56-Q80 PolarHBondContact O-N 2.71Å; K57-Q80 HydrophobicContact CG-CB 4.2Å; Q80-D105 WeakPolarHBondContact O-CB 3.33Å; Q80-D105 PolarHBondContact O-N 2.98Å; Q80-Q106 PolarHBondContact O-N 2.78Å
81	E	95.5	Very high	94	Very high	31 Å²	31	31.9 Å²	31.9	15%	0.145	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.2	-164.9	-172.6	169.7	-158.8	0	0	114	G56 K57 I58 Q106	G56-E81 PolarHBondContact O-N 3.45Å; G56-E81 VanDerWaalsContact O-N 3.14Å; K57-E81 CarbonylContact C-O 3.51Å; K57-E81 VanDerWaalsContact CA-O 3.22Å; K57-E81 WeakPolarHBondContact CA-O 3.19Å; K57-E81 HydrophobicContact CD-CB 4.4Å; K57-E81 HydrophobicContact CG-CB 4.19Å; K57-E81 IonicContact NZ-OE2 3.08Å; I58-E81 PolarHBondContact N-O 2.76Å; E81-Q106 CarbonylContact C-O 3.56Å; E81-Q106 WeakPolarHBondContact CA-O 3.37Å; E81-Q106 HydrophobicContact CG-CB 4.4Å; E81-Q106 HydrophobicContact CG-CG 4.41Å; E81-Q106 PolarHBondContact OE1-NE2 2.94Å
82	I	95.8	Very high	94.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.8	158.7	-57.3	179.4	0	0	0	107	I58 F73 V78 M100 P104 Q106 F107 T108	I58-I82 HydrophobicContact CB-CG1 4.22Å; I58-I82 HydrophobicContact CB-CG2 4.35Å; I58-I82 HydrophobicContact CD1-CD1 4.33Å; I58-I82 HydrophobicContact CD1-CG1 4.24Å; I58-I82 HydrophobicContact CG1-CG1 4.49Å; I58-I82 CarbonylContact O-C 3.28Å; I58-I82 WeakPolarHBondContact O-CA 3.35Å; F73-I82 HydrophobicContact CD1-CD1 4.28Å; F73-I82 HydrophobicContact CE1-CD1 4.11Å; F73-I82 HydrophobicContact CZ-CD1 4.29Å; F73-I82 HydrophobicContact CZ-CG2 4.43Å; V78-I82 HydrophobicContact CG1-CD1 4.35Å; V78-I82 HydrophobicContact CG1-CG1 3.88Å; V78-I82 HydrophobicContact CG2-CD1 4.24Å; I82-M100 HydrophobicContact CD1-CE 4.26Å; I82-P104 HydrophobicContact CD1-CG 3.96Å; I82-P104 HydrophobicContact CG1-CB 4.16Å; I82-P104 HydrophobicContact CG1-CG 3.98Å; I82-Q106 PolarHBondContact N-O 2.92Å; I82-F107 HydrophobicContact CB-CD2 3.77Å; I82-F107 HydrophobicContact CB-CE2 4.29Å; I82-F107 HydrophobicContact CD1-CD2 4.5Å; I82-F107 HydrophobicContact CG2-CD2 3.85Å; I82-F107 HydrophobicContact CG2-CE2 3.83Å; I82-F107 CarbonylContact O-C 3.54Å; I82-F107 VanDerWaalsContact O-CA 3.32Å; I82-F107 WeakPolarHBondContact O-CA 3.41Å; I82-T108 PolarHBondContact O-N 2.89Å
83	S	97.1	Very high	94.2	Very high	13 Å²	13	32 Å²	32	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.7	-177.6	173.7	0	0	0	0	110.8	I58 F59 V60 T108	I58-S83 PolarHBondContact O-N 2.91Å; F59-S83 CarbonylContact C-O 3.49Å; F59-S83 WeakPolarHBondContact CA-O 3.21Å; V60-S83 PolarHBondContact N-O 3.46Å; S83-T108 CarbonylContact C-O 3.59Å; S83-T108 WeakPolarHBondContact CA-O 3.48Å
84	I	96.8	Very high	94.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.4	176.7	-59.2	156	0	0	0	107.8	V60 L66 I68 I87 L90 F107 T108 I109 R110	V60-I84 HydrophobicContact CB-CG1 4.47Å; V60-I84 CarbonylContact O-C 3.59Å; V60-I84 WeakPolarHBondContact O-CA 3.4Å; L66-I84 HydrophobicContact CD2-CG2 4.3Å; I68-I84 HydrophobicContact CD1-CD1 3.39Å; I68-I84 HydrophobicContact CD1-CG1 4.42Å; I84-I87 HydrophobicContact CG2-CD1 4.27Å; I84-I87 HydrophobicContact CG2-CG1 3.45Å; I84-I87 VanDerWaalsContact CG2-CG1 3.45Å; I84-L90 HydrophobicContact CG2-CD2 3.86Å; I84-F107 HydrophobicContact CD1-CE2 3.93Å; I84-F107 HydrophobicContact CD1-CZ 3.71Å; I84-T108 PolarHBondContact N-O 3.23Å; I84-I109 HydrophobicContact CB-CG1 4.28Å; I84-I109 HydrophobicContact CD1-CG1 4.12Å; I84-I109 CarbonylContact O-C 3.39Å; I84-I109 WeakPolarHBondContact O-CA 3.27Å; I84-R110 PolarHBondContact O-N 3.16Å
85	M	96.8	Very high	94.7	Very high	53 Å²	53	36 Å²	36	26%	0.261	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.8	-173.2	59.2	-173.8	-81.5	0	0	113.7	V60 H61 S62 I87 R110	V60-M85 PolarHBondContact O-N 2.91Å; H61-M85 WeakPolarHBondContact CA-O 3.49Å; H61-M85 HydrophobicContact CB-CG 3.37Å; H61-M85 HydrophobicContact CB-SD 4.21Å; S62-M85 PolarHBondContact N-O 3.23Å; M85-I87 VanDerWaalsContact C-N 3.32Å; M85-I87 WeakPolarHBondContact O-CD1 3.35Å; M85-I87 PolarHBondContact O-N 3.05Å; M85-R110 VanDerWaalsContact CA-O 3.25Å; M85-R110 WeakPolarHBondContact CA-O 3.38Å
86	E	95.8	Very high	94.9	Very high	95 Å²	95	34.3 Å²	34.3	44%	0.444	17%	0.174	S	C	.	.	S	Bend	trans	56.3	41.6	175.9	-58.7	177.8	-175.4	0	0	113.7	S62 R110 D111 S112	S62-E86 WeakPolarHBondContact CA-O 3.38Å; S62-E86 PolarHBondContact OG-OE2 2.8Å; S62-E86 VanDerWaalsContact OG-OE2 3.12Å; E86-R110 PolarHBondContact N-O 2.8Å; E86-D111 VanDerWaalsContact CA-O 3.23Å; E86-D111 WeakPolarHBondContact CA-O 3.38Å; E86-D111 HydrophobicContact CG-CB 4.43Å; E86-D111 PolarHBondContact N-O 2.83Å; E86-S112 PolarHBondContact N-OG 3.18Å
87	I	95.7	Very high	95	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.174	C	C	.	.			trans	-101.7	119.1	177.4	-48.5	-58.8	0	0	0	110.1	C63 L66 I84 M85 L90 S112 A113	C63-I87 HydrophobicContact CB-CD1 3.7Å; C63-I87 WeakPolarHBondContact O-CA 3.2Å; L66-I87 HydrophobicContact CB-CG2 3.72Å; L66-I87 HydrophobicContact CD2-CD1 4.08Å; L66-I87 HydrophobicContact CD2-CG1 4.29Å; I84-I87 HydrophobicContact CG2-CD1 4.27Å; I84-I87 HydrophobicContact CG2-CG1 3.45Å; I84-I87 VanDerWaalsContact CG2-CG1 3.45Å; M85-I87 VanDerWaalsContact C-N 3.32Å; M85-I87 WeakPolarHBondContact O-CD1 3.35Å; M85-I87 PolarHBondContact O-N 3.05Å; I87-L90 HydrophobicContact CB-CB 4.27Å; I87-L90 HydrophobicContact CG2-CB 3.81Å; I87-S112 PolarHBondContact N-OG 3.28Å; I87-S112 CarbonylContact O-C 3.54Å; I87-S112 WeakPolarHBondContact O-CA 3.41Å; I87-S112 VanDerWaalsContact O-CB 3.28Å; I87-S112 WeakPolarHBondContact O-CB 3.35Å; I87-A113 PolarHBondContact O-N 3.46Å
88	Q	93.5	Very high	95.1	Very high	150 Å²	150	39.1 Å²	39.1	70%	0.701	19%	0.189	S	C	*	.	S	Bend	trans	-77.8	-25.6	-176.5	-59.5	179	2.6	0	0	113.7	C63 S64 A113	C63-Q88 PolarHBondContact O-N 3.38Å; C63-Q88 VanDerWaalsContact O-N 3.11Å; S64-Q88 WeakPolarHBondContact O-CB 3.24Å; Q88-A113 WeakPolarHBondContact O-CB 3.05Å
89	N	95.3	Very high	95	Very high	49 Å²	49	41.1 Å²	41.1	26%	0.262	21%	0.21	S	C	.	.	S	Bend	trans	-145.1	92	175.1	-172	-19.3	0	0	0	110.1	S64 R65 L66 H115	S64-N89 PolarHBondContact O-N 3.13Å; R65-N89 CarbonylContact C-O 3.47Å; R65-N89 WeakPolarHBondContact CA-O 3.39Å; L66-N89 PolarHBondContact N-O 3.5Å; N89-H115 VanDerWaalsContact OD1-CB 3.27Å; N89-H115 WeakPolarHBondContact OD1-CB 3.22Å
90	L	96.9	Very high	95.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.4	178.5	179.6	56.7	0	0	0	110.8	L66 I68 I84 I87 I92 I109 A113 V114 H115	L66-L90 HydrophobicContact CB-CD1 4.16Å; L66-L90 HydrophobicContact CD2-CD1 4.07Å; L66-L90 HydrophobicContact CG-CD1 4.16Å; L66-L90 WeakPolarHBondContact O-CA 3.48Å; I68-L90 HydrophobicContact CD1-CD1 4.34Å; I68-L90 HydrophobicContact CG1-CD1 4.33Å; I84-L90 HydrophobicContact CG2-CD2 3.86Å; I87-L90 HydrophobicContact CB-CB 4.27Å; I87-L90 HydrophobicContact CG2-CB 3.81Å; L90-I92 HydrophobicContact CD1-CG1 4.43Å; L90-I92 HydrophobicContact CG-CG1 4.36Å; L90-I109 HydrophobicContact CD2-CD1 3.89Å; L90-I109 HydrophobicContact CD2-CG1 4.33Å; L90-I109 HydrophobicContact CD2-CG2 3.89Å; L90-A113 PolarHBondContact N-O 3.35Å; L90-V114 HydrophobicContact CB-CG2 4.31Å; L90-V114 HydrophobicContact CD2-CG2 4.07Å; L90-V114 HydrophobicContact CG-CG2 4.41Å; L90-V114 CarbonylContact O-C 3.59Å; L90-V114 WeakPolarHBondContact O-CA 3.39Å; L90-H115 PolarHBondContact O-N 3.47Å
91	T	96.1	Very high	95.1	Very high	23 Å²	23	43 Å²	43	14%	0.141	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	168.9	-61.1	0	0	0	0	109.5	L66 T67 I68 L116	L66-T91 PolarHBondContact O-N 3.36Å; T67-T91 WeakPolarHBondContact CA-O 3.27Å; T67-T91 HydrophobicContact CG2-CG2 4.47Å; I68-T91 PolarHBondContact N-O 3.12Å; T91-L116 HydrophobicContact CG2-CB 4.44Å
92	I	96	Very high	94.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.6	173.3	-55.4	179.9	0	0	0	107.3	I68 L90 A96 F97 I109 L116 L117 A118 A121 F122	I68-I92 HydrophobicContact CD1-CG1 4.39Å; L90-I92 HydrophobicContact CD1-CG1 4.43Å; L90-I92 HydrophobicContact CG-CG1 4.36Å; I92-A96 HydrophobicContact CG2-CB 3.72Å; I92-F97 HydrophobicContact CG2-CE2 4.29Å; I92-I109 HydrophobicContact CD1-CD1 3.78Å; I92-L116 PolarHBondContact N-O 3.4Å; I92-L117 HydrophobicContact CB-CD2 4.48Å; I92-L117 HydrophobicContact CD1-CD2 3.99Å; I92-L117 HydrophobicContact CG1-CD2 4.44Å; I92-A118 WeakPolarHBondContact O-CB 3.43Å; I92-A121 HydrophobicContact CB-CB 4.38Å; I92-A121 HydrophobicContact CG2-CB 3.96Å; I92-F122 HydrophobicContact CD1-CE2 4.48Å; I92-F122 HydrophobicContact CD1-CZ 4.12Å
93	D	94.8	Very high	94.8	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.294	24%	0.237	S	C	.	.			trans	-75.6	161.7	-177.6	-75.2	-16.2	0	0	0	111.7	T67 I68 F95 A96	T67-D93 WeakPolarHBondContact CG2-OD2 3.16Å; I68-D93 WeakPolarHBondContact O-CB 3.47Å; I68-D93 PolarHBondContact O-N 3.36Å; D93-F95 PolarHBondContact O-N 3.25Å; D93-A96 PolarHBondContact O-N 3.16Å
94	P	97	Very high	94.7	Very high	50 Å²	50	46.1 Å²	46.1	33%	0.325	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	138.8	173.6	-24.1	33.4	0	0	0	112.1	A70 A96 A118 T119 D120	A70-P94 WeakPolarHBondContact CB-O 3.48Å; P94-A96 VanDerWaalsContact C-N 3.28Å; P94-A96 PolarHBondContact O-N 2.92Å; P94-A118 HydrophobicContact CG-CB 4.11Å; P94-T119 WeakPolarHBondContact CB-O 3.18Å; P94-T119 WeakPolarHBondContact CG-O 3.27Å; P94-D120 HydrophobicContact CB-CB 4.37Å
95	F	95.8	Very high	94.6	Very high	76 Å²	76	48.5 Å²	48.5	33%	0.333	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	25.8	175.8	-45.7	-73	0	0	0	115.2	D71 D93 F97 R98 D120 A123	D71-F95 PolarHBondContact N-O 2.93Å; D71-F95 VanDerWaalsContact N-O 3.08Å; D93-F95 PolarHBondContact O-N 3.25Å; F95-F97 PolarHBondContact O-N 3.18Å; F95-F97 VanDerWaalsContact O-N 3.12Å; F95-R98 HydrophobicContact CB-CB 4.01Å; F95-R98 WeakPolarHBondContact O-CB 3.43Å; F95-R98 PolarHBondContact O-N 3.3Å; F95-R98 VanDerWaalsContact O-N 3.13Å; F95-D120 HydrophobicContact CD1-CB 4.37Å; F95-D120 HydrophobicContact CE1-CB 3.83Å; F95-D120 HydrophobicContact CE2-CB 4.33Å; F95-D120 HydrophobicContact CZ-CB 3.8Å; F95-D120 PolarHBondContact N-O 3.49Å; F95-A123 HydrophobicContact CD1-CB 3.78Å; F95-A123 HydrophobicContact CE1-CB 3.82Å
96	A	94.7	Very high	94.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.8	179.2	0	0	0	0	0	114.6	I68 P69 A72 I92 D93 P94	I68-A96 HydrophobicContact CG2-CB 3.85Å; P69-A96 WeakPolarHBondContact O-CA 3.24Å; A72-A96 PolarHBondContact N-O 3.16Å; I92-A96 HydrophobicContact CG2-CB 3.72Å; D93-A96 PolarHBondContact O-N 3.16Å; P94-A96 VanDerWaalsContact C-N 3.28Å; P94-A96 PolarHBondContact O-N 2.92Å
97	F	94.2	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10	-177	-56.1	-83.3	0	0	0	114.1	F73 I92 F95 M100 Y103 F107 F122 F125	F73-F97 AromaticContact CD2-CD1 3.61Å; F73-F97 HydrophobicContact CD2-CD1 3.61Å; F73-F97 AromaticContact CD2-CE1 3.79Å; F73-F97 HydrophobicContact CD2-CE1 3.79Å; F73-F97 AromaticContact CE2-CD1 3.88Å; F73-F97 HydrophobicContact CE2-CD1 3.88Å; F73-F97 AromaticContact CE2-CE1 3.53Å; F73-F97 HydrophobicContact CE2-CE1 3.53Å; F73-F97 HydrophobicContact CE2-CZ 4.32Å; F73-F97 HydrophobicContact CZ-CE1 4.46Å; I92-F97 HydrophobicContact CG2-CE2 4.29Å; F95-F97 PolarHBondContact O-N 3.18Å; F95-F97 VanDerWaalsContact O-N 3.12Å; F97-M100 HydrophobicContact CB-SD 3.94Å; F97-M100 HydrophobicContact CD1-SD 3.89Å; F97-M100 HydrophobicContact CG-SD 4.42Å; F97-M100 WeakPolarHBondContact O-CG 3.44Å; F97-Y103 HydrophobicContact CB-CE1 4.31Å; F97-F107 AromaticContact CE1-CD2 3.99Å; F97-F107 HydrophobicContact CE1-CD2 3.99Å; F97-F107 AromaticContact CE1-CE2 3.63Å; F97-F107 HydrophobicContact CE1-CE2 3.63Å; F97-F107 HydrophobicContact CE1-CZ 4.36Å; F97-F107 HydrophobicContact CZ-CD2 4.07Å; F97-F107 AromaticContact CZ-CE2 3.41Å; F97-F107 HydrophobicContact CZ-CE2 3.41Å; F97-F107 VanDerWaalsContact CZ-CE2 3.41Å; F97-F107 AromaticContact CZ-CZ 3.68Å; F97-F107 HydrophobicContact CZ-CZ 3.68Å; F97-F122 AromaticContact CD2-CD1 3.99Å; F97-F122 HydrophobicContact CD2-CD1 3.99Å; F97-F122 HydrophobicContact CD2-CE1 4.37Å; F97-F122 AromaticContact CE2-CD1 3.64Å; F97-F122 HydrophobicContact CE2-CD1 3.64Å; F97-F122 AromaticContact CE2-CE1 3.58Å; F97-F122 HydrophobicContact CE2-CE1 3.58Å; F97-F122 HydrophobicContact CE2-CG 4.42Å; F97-F122 HydrophobicContact CE2-CZ 4.32Å; F97-F122 HydrophobicContact CZ-CD1 4.44Å; F97-F122 HydrophobicContact CZ-CE1 4.03Å; F97-F125 HydrophobicContact CB-CD2 3.77Å; F97-F125 HydrophobicContact CB-CE2 4.48Å; F97-F125 AromaticContact CD1-CD2 3.96Å; F97-F125 HydrophobicContact CD1-CD2 3.96Å; F97-F125 AromaticContact CD1-CE2 3.88Å; F97-F125 HydrophobicContact CD1-CE2 3.88Å; F97-F125 HydrophobicContact CD2-CD2 4.06Å; F97-F125 HydrophobicContact CE1-CE2 4.26Å; F97-F125 AromaticContact CG-CD2 3.65Å; F97-F125 HydrophobicContact CG-CD2 3.65Å; F97-F125 HydrophobicContact CG-CE2 4.07Å
98	R	92.8	Very high	94.7	Very high	120 Å²	120	44.1 Å²	44.1	45%	0.453	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	141.8	-178.9	-177.6	178	67.3	175.2	1.4	110.6	D71 F95 M100	D71-R98 VanDerWaalsContact CG-NH2 3.31Å; D71-R98 IonicContact OD1-CZ 3.32Å; D71-R98 VanDerWaalsContact OD1-CZ 3.32Å; D71-R98 IonicContact OD1-NE 3.96Å; D71-R98 PolarHBondContact OD1-NE 2.87Å; D71-R98 IonicContact OD1-NH2 3.05Å; D71-R98 PolarHBondContact OD1-NH2 3.14Å; D71-R98 IonicContact OD2-CZ 3.76Å; D71-R98 IonicContact OD2-NE 2.96Å; D71-R98 IonicContact OD2-NH2 2.74Å; D71-R98 PolarHBondContact OD2-NH2 2.95Å; F95-R98 HydrophobicContact CB-CB 4.01Å; F95-R98 WeakPolarHBondContact O-CB 3.43Å; F95-R98 PolarHBondContact O-N 3.3Å; F95-R98 VanDerWaalsContact O-N 3.13Å; R98-M100 VanDerWaalsContact C-N 3.34Å; R98-M100 PolarHBondContact O-N 3.23Å
99	G	91	Very high	94.9	Very high	43 Å²	43	37 Å²	37	44%	0.443	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.4	174.1	0	0	0	0	0	115.2	G75	G75-G99 PolarHBondContact N-O 3.26Å
100	M	93	Very high	95	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.069	20%	0.197	C	C	.	.			trans	-64	138.5	169.1	-67.2	-179.5	74.9	0	0	110.6	F73 L76 V78 I82 F97 R98 Y103	F73-M100 HydrophobicContact CB-CE 4.04Å; F73-M100 HydrophobicContact CB-CG 3.64Å; F73-M100 HydrophobicContact CB-SD 3.74Å; F73-M100 HydrophobicContact CG-SD 4.37Å; F73-M100 WeakPolarHBondContact O-CG 3.38Å; L76-M100 CarbonylContact O-C 3.46Å; V78-M100 HydrophobicContact CB-CE 4.04Å; V78-M100 HydrophobicContact CG2-CE 3.62Å; I82-M100 HydrophobicContact CD1-CE 4.26Å; F97-M100 HydrophobicContact CB-SD 3.94Å; F97-M100 HydrophobicContact CD1-SD 3.89Å; F97-M100 HydrophobicContact CG-SD 4.42Å; F97-M100 WeakPolarHBondContact O-CG 3.44Å; R98-M100 VanDerWaalsContact C-N 3.34Å; R98-M100 PolarHBondContact O-N 3.23Å; M100-Y103 HydrophobicContact CB-CD1 4.26Å; M100-Y103 HydrophobicContact CB-CE1 3.92Å; M100-Y103 HydrophobicContact CB-CE2 4.42Å; M100-Y103 HydrophobicContact CE-CD1 4.5Å; M100-Y103 HydrophobicContact CG-CE1 4.27Å; M100-Y103 HydrophobicContact SD-CD1 3.77Å; M100-Y103 HydrophobicContact SD-CE1 3.87Å
101	L	92.1	Very high	95	Very high	128 Å²	128	41.9 Å²	41.9	67%	0.67	21%	0.21	S	C	*	.	S	Bend	trans	-79.1	-30.1	176.1	-61.7	179.6	0	0	0	112.1	G75 L76 A77	G75-L101 WeakPolarHBondContact O-CD1 3.4Å; L76-L101 PolarHBondContact O-N 2.78Å; A77-L101 HydrophobicContact CB-CB 4.12Å
102	K	92.9	Very high	95.1	Very high	83 Å²	83	41.2 Å²	41.2	36%	0.361	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-149.2	134.4	172.6	-176.3	-175.8	171.7	-179.9	0	109.1	L76 A77 V78	L76-K102 PolarHBondContact O-N 2.96Å; A77-K102 HydrophobicContact CB-CB 3.65Å; V78-K102 PolarHBondContact N-O 3.17Å
103	Y	93.7	Very high	95.2	Very high	28 Å²	28	42.4 Å²	42.4	11%	0.11	22%	0.216	C	C	.	.			trans	-88.4	149.4	176.9	-63.7	-90.1	0	0	0	111	V78 F97 M100 G124 F125 Q126	V78-Y103 CarbonylContact O-C 3.6Å; V78-Y103 VanDerWaalsContact O-C 3.28Å; F97-Y103 HydrophobicContact CB-CE1 4.31Å; M100-Y103 HydrophobicContact CB-CD1 4.26Å; M100-Y103 HydrophobicContact CB-CE1 3.92Å; M100-Y103 HydrophobicContact CB-CE2 4.42Å; M100-Y103 HydrophobicContact CE-CD1 4.5Å; M100-Y103 HydrophobicContact CG-CE1 4.27Å; M100-Y103 HydrophobicContact SD-CD1 3.77Å; M100-Y103 HydrophobicContact SD-CE1 3.87Å; Y103-G124 PolarHBondContact OH-O 3.21Å; Y103-F125 AromaticContact CD1-CD2 3.59Å; Y103-F125 HydrophobicContact CD1-CD2 3.59Å; Y103-F125 AromaticContact CD1-CE2 3.8Å; Y103-F125 HydrophobicContact CD1-CE2 3.8Å; Y103-F125 HydrophobicContact CD1-CG 4.06Å; Y103-F125 HydrophobicContact CD1-CZ 4.43Å; Y103-F125 HydrophobicContact CE1-CB 4.47Å; Y103-F125 AromaticContact CE1-CD2 3.95Å; Y103-F125 HydrophobicContact CE1-CD2 3.95Å; Y103-F125 HydrophobicContact CE1-CG 4.34Å; Y103-Q126 WeakPolarHBondContact CB-O 3.22Å; Y103-Q126 HydrophobicContact CD2-CB 4.41Å; Y103-Q126 VanDerWaalsContact CD2-O 3.24Å; Y103-Q126 WeakPolarHBondContact CD2-O 3.19Å; Y103-Q126 HydrophobicContact CE2-CB 4.35Å
104	P	94.3	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.			trans	-66.5	146.4	-178.1	29.2	-36.7	0	0	0	111.9	V78 I82 Q106 F107 F125 A128	V78-P104 HydrophobicContact CB-CB 4.3Å; V78-P104 HydrophobicContact CG1-CB 3.86Å; V78-P104 WeakPolarHBondContact O-CA 3.45Å; I82-P104 HydrophobicContact CD1-CG 3.96Å; I82-P104 HydrophobicContact CG1-CB 4.16Å; I82-P104 HydrophobicContact CG1-CG 3.98Å; P104-Q106 PolarHBondContact O-N 2.98Å; P104-F107 HydrophobicContact CG-CB 4.38Å; P104-F125 HydrophobicContact CG-CE2 4.46Å; P104-F125 HydrophobicContact CG-CZ 4.09Å; P104-A128 WeakPolarHBondContact O-CA 3.34Å; P104-A128 VanDerWaalsContact O-CB 3.27Å; P104-A128 WeakPolarHBondContact O-CB 3.39Å
105	D	94.8	Very high	95.2	Very high	51 Å²	51	42.1 Å²	42.1	27%	0.273	21%	0.208	S	C	.	.	S	Bend	trans	-56.3	-36.8	167.1	-83.1	4.8	0	0	0	110.9	Q80 K129 H130	Q80-D105 WeakPolarHBondContact O-CB 3.33Å; Q80-D105 PolarHBondContact O-N 2.98Å; D105-K129 HydrophobicContact CB-CD 4.21Å; D105-K129 CarbonylContact O-C 3.48Å; D105-K129 WeakPolarHBondContact O-CA 3.27Å; D105-K129 VanDerWaalsContact O-CB 3.29Å; D105-K129 WeakPolarHBondContact O-CB 3.43Å; D105-K129 PolarHBondContact O-N 3.4Å; D105-K129 IonicContact OD1-NZ 3.33Å; D105-K129 IonicContact OD2-NZ 2.86Å; D105-K129 PolarHBondContact OD2-NZ 2.88Å; D105-H130 PolarHBondContact O-N 2.97Å
106	Q	96.1	Very high	95.1	Very high	44 Å²	44	40 Å²	40	21%	0.206	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.1	-178.6	-179.2	169	-55.8	0	0	112.3	Q80 E81 I82 P104 T108 H130	Q80-Q106 PolarHBondContact O-N 2.78Å; E81-Q106 CarbonylContact C-O 3.56Å; E81-Q106 WeakPolarHBondContact CA-O 3.37Å; E81-Q106 HydrophobicContact CG-CB 4.4Å; E81-Q106 HydrophobicContact CG-CG 4.41Å; E81-Q106 PolarHBondContact OE1-NE2 2.94Å; I82-Q106 PolarHBondContact N-O 2.92Å; P104-Q106 PolarHBondContact O-N 2.98Å; Q106-T108 WeakPolarHBondContact CG-OG1 3.45Å; Q106-T108 PolarHBondContact NE2-OG1 3.04Å; Q106-H130 CarbonylContact C-O 3.55Å; Q106-H130 WeakPolarHBondContact CA-O 3.45Å; Q106-H130 HydrophobicContact CB-CB 4.31Å; Q106-H130 HydrophobicContact CG-CB 4.12Å
107	F	96.4	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124	167.5	177	-90.2	0	0	0	108.8	I82 I84 F97 P104 I109 F122 F125 H130 L131 W132	I82-F107 HydrophobicContact CB-CD2 3.77Å; I82-F107 HydrophobicContact CB-CE2 4.29Å; I82-F107 HydrophobicContact CD1-CD2 4.5Å; I82-F107 HydrophobicContact CG2-CD2 3.85Å; I82-F107 HydrophobicContact CG2-CE2 3.83Å; I82-F107 CarbonylContact O-C 3.54Å; I82-F107 VanDerWaalsContact O-CA 3.32Å; I82-F107 WeakPolarHBondContact O-CA 3.41Å; I84-F107 HydrophobicContact CD1-CE2 3.93Å; I84-F107 HydrophobicContact CD1-CZ 3.71Å; F97-F107 AromaticContact CE1-CD2 3.99Å; F97-F107 HydrophobicContact CE1-CD2 3.99Å; F97-F107 AromaticContact CE1-CE2 3.63Å; F97-F107 HydrophobicContact CE1-CE2 3.63Å; F97-F107 HydrophobicContact CE1-CZ 4.36Å; F97-F107 HydrophobicContact CZ-CD2 4.07Å; F97-F107 AromaticContact CZ-CE2 3.41Å; F97-F107 HydrophobicContact CZ-CE2 3.41Å; F97-F107 VanDerWaalsContact CZ-CE2 3.41Å; F97-F107 AromaticContact CZ-CZ 3.68Å; F97-F107 HydrophobicContact CZ-CZ 3.68Å; P104-F107 HydrophobicContact CG-CB 4.38Å; F107-I109 HydrophobicContact CE1-CD1 3.67Å; F107-I109 HydrophobicContact CE1-CG1 3.65Å; F107-I109 HydrophobicContact CZ-CD1 3.94Å; F107-I109 HydrophobicContact CZ-CG1 3.93Å; F107-F122 HydrophobicContact CD1-CE1 4.14Å; F107-F122 AromaticContact CE1-CE1 3.78Å; F107-F122 HydrophobicContact CE1-CE1 3.78Å; F107-F122 AromaticContact CE1-CZ 3.91Å; F107-F122 HydrophobicContact CE1-CZ 3.91Å; F107-F122 HydrophobicContact CZ-CE1 4.25Å; F107-F122 HydrophobicContact CZ-CZ 4.45Å; F107-F125 HydrophobicContact CB-CZ 4.21Å; F107-H130 PolarHBondContact N-O 2.81Å; F107-L131 HydrophobicContact CB-CD2 3.63Å; F107-L131 HydrophobicContact CD1-CD2 3.96Å; F107-L131 HydrophobicContact CG-CD2 4.09Å; F107-L131 CarbonylContact O-C 3.53Å; F107-W132 PolarHBondContact O-N 2.84Å
108	T	97.1	Very high	95.3	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.8	-175.4	-55.4	0	0	0	0	111.3	I82 S83 I84 Q106 R110 W132	I82-T108 PolarHBondContact O-N 2.89Å; S83-T108 CarbonylContact C-O 3.59Å; S83-T108 WeakPolarHBondContact CA-O 3.48Å; I84-T108 PolarHBondContact N-O 3.23Å; Q106-T108 WeakPolarHBondContact CG-OG1 3.45Å; Q106-T108 PolarHBondContact NE2-OG1 3.04Å; T108-R110 HydrophobicContact CG2-CB 4.23Å; T108-W132 CarbonylContact C-O 3.59Å; T108-W132 VanDerWaalsContact CA-O 3.32Å; T108-W132 WeakPolarHBondContact CA-O 3.29Å; T108-W132 HydrophobicContact CG2-CB 4.23Å
109	I	97.7	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.7	163.3	-60.2	174.4	0	0	0	107.7	I84 L90 I92 F107 V114 W132 F133 R134 V136	I84-I109 HydrophobicContact CB-CG1 4.28Å; I84-I109 HydrophobicContact CD1-CG1 4.12Å; I84-I109 CarbonylContact O-C 3.39Å; I84-I109 WeakPolarHBondContact O-CA 3.27Å; L90-I109 HydrophobicContact CD2-CD1 3.89Å; L90-I109 HydrophobicContact CD2-CG1 4.33Å; L90-I109 HydrophobicContact CD2-CG2 3.89Å; I92-I109 HydrophobicContact CD1-CD1 3.78Å; F107-I109 HydrophobicContact CE1-CD1 3.67Å; F107-I109 HydrophobicContact CE1-CG1 3.65Å; F107-I109 HydrophobicContact CZ-CD1 3.94Å; F107-I109 HydrophobicContact CZ-CG1 3.93Å; I109-V114 HydrophobicContact CG2-CG2 4.26Å; I109-W132 PolarHBondContact N-O 3.11Å; I109-F133 HydrophobicContact CB-CD1 4.18Å; I109-F133 HydrophobicContact CD1-CD1 4.09Å; I109-F133 HydrophobicContact CD1-CE1 3.64Å; I109-F133 HydrophobicContact CD1-CZ 4.36Å; I109-F133 HydrophobicContact CG1-CE1 4.5Å; I109-F133 CarbonylContact O-C 3.51Å; I109-F133 WeakPolarHBondContact O-CA 3.37Å; I109-R134 PolarHBondContact O-N 3.26Å; I109-V136 HydrophobicContact CG2-CG2 3.94Å
110	R	97.7	Very high	95.8	Very high	101 Å²	101	35.9 Å²	35.9	38%	0.381	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.1	-173.9	-173.2	-178.1	164.2	178.5	-4.2	113.4	I84 M85 E86 T108 S112 R134	I84-R110 PolarHBondContact O-N 3.16Å; M85-R110 VanDerWaalsContact CA-O 3.25Å; M85-R110 WeakPolarHBondContact CA-O 3.38Å; E86-R110 PolarHBondContact N-O 2.8Å; T108-R110 HydrophobicContact CG2-CB 4.23Å; R110-S112 PolarHBondContact O-N 3.31Å; R110-S112 VanDerWaalsContact O-N 3.11Å; R110-S112 PolarHBondContact O-OG 3.25Å; R110-R134 CarbonylContact C-O 3.44Å; R110-R134 WeakPolarHBondContact CA-O 3.37Å; R110-R134 HydrophobicContact CG-CB 4.21Å; R110-R134 HydrophobicContact CG-CG 4.47Å
111	D	97.6	Very high	96	Very high	52 Å²	52	35.2 Å²	35.2	28%	0.278	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.7	41.4	170.6	-59.9	-41.1	0	0	0	111.6	E86 R134 N135	E86-D111 VanDerWaalsContact CA-O 3.23Å; E86-D111 WeakPolarHBondContact CA-O 3.38Å; E86-D111 HydrophobicContact CG-CB 4.43Å; E86-D111 PolarHBondContact N-O 2.83Å; D111-R134 PolarHBondContact N-O 2.95Å; D111-N135 VanDerWaalsContact CA-O 3.24Å; D111-N135 WeakPolarHBondContact CA-O 3.48Å; D111-N135 PolarHBondContact N-O 3.09Å; D111-N135 WeakPolarHBondContact OD1-CB 3.32Å; D111-N135 PolarHBondContact OD1-ND2 3.2Å
112	S	97.7	Very high	96.1	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.063	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.2	-168.3	-63.4	0	0	0	0	111.8	E86 I87 R110 N135 V136 T137	E86-S112 PolarHBondContact N-OG 3.18Å; I87-S112 PolarHBondContact N-OG 3.28Å; I87-S112 CarbonylContact O-C 3.54Å; I87-S112 WeakPolarHBondContact O-CA 3.41Å; I87-S112 VanDerWaalsContact O-CB 3.28Å; I87-S112 WeakPolarHBondContact O-CB 3.35Å; R110-S112 PolarHBondContact O-N 3.31Å; R110-S112 VanDerWaalsContact O-N 3.11Å; R110-S112 PolarHBondContact O-OG 3.25Å; S112-N135 PolarHBondContact N-O 2.92Å; S112-V136 WeakPolarHBondContact O-CA 3.31Å; S112-V136 WeakPolarHBondContact O-CG1 3.21Å; S112-T137 PolarHBondContact O-N 3.5Å; S112-T137 VanDerWaalsContact O-N 3.12Å
113	A	97.3	Very high	96	Very high	24 Å²	24	25.6 Å²	25.6	20%	0.198	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.1	169.6	0	0	0	0	0	110.2	I87 Q88 L90 T137	I87-A113 PolarHBondContact O-N 3.46Å; Q88-A113 WeakPolarHBondContact O-CB 3.05Å; L90-A113 PolarHBondContact N-O 3.35Å; A113-T137 CarbonylContact C-O 3.5Å; A113-T137 WeakPolarHBondContact CA-O 3.02Å
114	V	97.1	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.4	177.4	-179.8	0	0	0	0	108.3	L90 I109 L117 V136 T137 I138 H139	L90-V114 HydrophobicContact CB-CG2 4.31Å; L90-V114 HydrophobicContact CD2-CG2 4.07Å; L90-V114 HydrophobicContact CG-CG2 4.41Å; L90-V114 CarbonylContact O-C 3.59Å; L90-V114 WeakPolarHBondContact O-CA 3.39Å; I109-V114 HydrophobicContact CG2-CG2 4.26Å; V114-L117 HydrophobicContact CG1-CD2 3.69Å; V114-L117 HydrophobicContact CG1-CG 3.84Å; V114-V136 HydrophobicContact CB-CG1 4.29Å; V114-V136 HydrophobicContact CG2-CG1 3.61Å; V114-T137 PolarHBondContact N-O 3.48Å; V114-I138 HydrophobicContact CB-CG1 4.13Å; V114-I138 HydrophobicContact CB-CG2 4.38Å; V114-I138 HydrophobicContact CG1-CG2 4.36Å; V114-I138 HydrophobicContact CG2-CG1 4.45Å; V114-I138 WeakPolarHBondContact O-CA 3.41Å; V114-H139 PolarHBondContact O-N 3.28Å
115	H	95.2	Very high	95.2	Very high	99 Å²	99	25.4 Å²	25.4	46%	0.458	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-42	176.5	-176.3	69.7	0	0	0	111.3	N89 L90 H139 R140	N89-H115 VanDerWaalsContact OD1-CB 3.27Å; N89-H115 WeakPolarHBondContact OD1-CB 3.22Å; L90-H115 PolarHBondContact O-N 3.47Å; H115-H139 WeakPolarHBondContact O-CB 3.29Å; H115-R140 PolarHBondContact O-N 3.39Å
116	L	94.3	Very high	95	Very high	31 Å²	31	26.6 Å²	26.6	16%	0.162	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	124.7	-177	-169.8	63.6	0	0	0	111.9	T91 I92 A118 R140 Q142	T91-L116 HydrophobicContact CG2-CB 4.44Å; I92-L116 PolarHBondContact N-O 3.4Å; L116-A118 HydrophobicContact CD2-CB 4.3Å; L116-A118 HydrophobicContact CG-CB 4.39Å; L116-R140 HydrophobicContact CD1-CB 3.96Å; L116-R140 HydrophobicContact CD1-CG 4.36Å; L116-Q142 HydrophobicContact CD1-CG 3.7Å
117	L	96.2	Very high	94.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	99.9	154.2	-64.4	-176.6	0	0	0	107.2	I92 V114 F122 F133 I138 R140 V141 Q142 A145 F146	I92-L117 HydrophobicContact CB-CD2 4.48Å; I92-L117 HydrophobicContact CD1-CD2 3.99Å; I92-L117 HydrophobicContact CG1-CD2 4.44Å; V114-L117 HydrophobicContact CG1-CD2 3.69Å; V114-L117 HydrophobicContact CG1-CG 3.84Å; L117-F122 HydrophobicContact CD2-CE2 4.12Å; L117-F133 HydrophobicContact CD1-CE1 4.13Å; L117-F133 HydrophobicContact CD1-CZ 4.31Å; L117-F133 HydrophobicContact CD2-CE1 4.48Å; L117-I138 HydrophobicContact CD1-CD1 4.35Å; L117-I138 HydrophobicContact CD1-CG2 4.42Å; L117-I138 HydrophobicContact CG-CG2 4.4Å; L117-R140 PolarHBondContact N-O 3.24Å; L117-V141 HydrophobicContact CB-CG1 4.35Å; L117-V141 HydrophobicContact CD1-CG1 4.37Å; L117-V141 HydrophobicContact CD1-CG2 4.26Å; L117-Q142 WeakPolarHBondContact O-CB 3.37Å; L117-Q142 PolarHBondContact O-N 2.91Å; L117-A145 HydrophobicContact CB-CB 4.31Å; L117-F146 HydrophobicContact CD1-CE2 4.15Å; L117-F146 HydrophobicContact CD1-CZ 4Å
118	A	96.6	Very high	94.2	Very high	7 Å²	7	30.7 Å²	30.7	6%	0.058	16%	0.161	C	C	.	.			trans	-68.8	160.4	-176	0	0	0	0	0	111.9	I92 P94 L116 D120 A121 A145	I92-A118 WeakPolarHBondContact O-CB 3.43Å; P94-A118 HydrophobicContact CG-CB 4.11Å; L116-A118 HydrophobicContact CD2-CB 4.3Å; L116-A118 HydrophobicContact CG-CB 4.39Å; A118-D120 PolarHBondContact O-N 2.84Å; A118-A121 WeakPolarHBondContact O-CB 3.23Å; A118-A121 PolarHBondContact O-N 2.83Å; A118-A121 VanDerWaalsContact O-N 3.13Å; A118-A145 WeakPolarHBondContact O-CA 3.44Å; A118-A145 WeakPolarHBondContact O-CB 3.35Å
119	T	97.2	Very high	93.9	Very high	45 Å²	45	34.7 Å²	34.7	28%	0.276	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	134.8	165.6	-67.4	0	0	0	0	109.9	P94 A121 R143 N144	P94-T119 WeakPolarHBondContact CB-O 3.18Å; P94-T119 WeakPolarHBondContact CG-O 3.27Å; T119-A121 PolarHBondContact O-N 3.2Å; T119-A121 VanDerWaalsContact O-N 3.17Å; T119-R143 WeakPolarHBondContact CB-O 3.42Å; T119-R143 PolarHBondContact OG1-O 3.29Å; T119-N144 HydrophobicContact CG2-CB 4.11Å
120	D	97	Very high	93.8	Very high	26 Å²	26	37 Å²	37	14%	0.139	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	17.9	179.7	-58.8	-42.4	0	0	0	115.1	P94 F95 A118 F122 A123 N144 R147	P94-D120 HydrophobicContact CB-CB 4.37Å; F95-D120 HydrophobicContact CD1-CB 4.37Å; F95-D120 HydrophobicContact CE1-CB 3.83Å; F95-D120 HydrophobicContact CE2-CB 4.33Å; F95-D120 HydrophobicContact CZ-CB 3.8Å; F95-D120 PolarHBondContact N-O 3.49Å; A118-D120 PolarHBondContact O-N 2.84Å; D120-F122 VanDerWaalsContact C-N 3.3Å; D120-F122 PolarHBondContact O-N 3.11Å; D120-A123 HydrophobicContact CB-CB 3.65Å; D120-A123 WeakPolarHBondContact O-CB 3.48Å; D120-A123 PolarHBondContact O-N 3.29Å; D120-N144 PolarHBondContact N-O 2.81Å; D120-R147 WeakPolarHBondContact OD1-CD 3.34Å
121	A	96.4	Very high	93.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-41.2	178.1	0	0	0	0	0	113.3	I92 A118 T119 A145	I92-A121 HydrophobicContact CB-CB 4.38Å; I92-A121 HydrophobicContact CG2-CB 3.96Å; A118-A121 WeakPolarHBondContact O-CB 3.23Å; A118-A121 PolarHBondContact O-N 2.83Å; A118-A121 VanDerWaalsContact O-N 3.13Å; T119-A121 PolarHBondContact O-N 3.2Å; T119-A121 VanDerWaalsContact O-N 3.17Å; A121-A145 PolarHBondContact N-O 3.28Å
122	F	95.5	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	21.6	175.3	-66.8	-89.6	0	0	0	112.7	I92 F97 F107 L117 D120 G124 F125 F133 A145 F146 V149	I92-F122 HydrophobicContact CD1-CE2 4.48Å; I92-F122 HydrophobicContact CD1-CZ 4.12Å; F97-F122 AromaticContact CD2-CD1 3.99Å; F97-F122 HydrophobicContact CD2-CD1 3.99Å; F97-F122 HydrophobicContact CD2-CE1 4.37Å; F97-F122 AromaticContact CE2-CD1 3.64Å; F97-F122 HydrophobicContact CE2-CD1 3.64Å; F97-F122 AromaticContact CE2-CE1 3.58Å; F97-F122 HydrophobicContact CE2-CE1 3.58Å; F97-F122 HydrophobicContact CE2-CG 4.42Å; F97-F122 HydrophobicContact CE2-CZ 4.32Å; F97-F122 HydrophobicContact CZ-CD1 4.44Å; F97-F122 HydrophobicContact CZ-CE1 4.03Å; F107-F122 HydrophobicContact CD1-CE1 4.14Å; F107-F122 AromaticContact CE1-CE1 3.78Å; F107-F122 HydrophobicContact CE1-CE1 3.78Å; F107-F122 AromaticContact CE1-CZ 3.91Å; F107-F122 HydrophobicContact CE1-CZ 3.91Å; F107-F122 HydrophobicContact CZ-CE1 4.25Å; F107-F122 HydrophobicContact CZ-CZ 4.45Å; L117-F122 HydrophobicContact CD2-CE2 4.12Å; D120-F122 VanDerWaalsContact C-N 3.3Å; D120-F122 PolarHBondContact O-N 3.11Å; F122-G124 PolarHBondContact O-N 2.86Å; F122-F125 HydrophobicContact CB-CB 4.27Å; F122-F125 HydrophobicContact CD1-CD2 4.49Å; F122-F125 HydrophobicContact CD1-CG 4.45Å; F122-F125 WeakPolarHBondContact O-CB 3.38Å; F122-F125 PolarHBondContact O-N 3.01Å; F122-F133 HydrophobicContact CE2-CZ 4.12Å; F122-F133 AromaticContact CZ-CZ 3.87Å; F122-F133 HydrophobicContact CZ-CZ 3.87Å; F122-A145 PolarHBondContact N-O 2.89Å; F122-A145 VanDerWaalsContact N-O 3.11Å; F122-F146 HydrophobicContact CB-CD1 4.2Å; F122-F146 AromaticContact CD2-CD1 3.83Å; F122-F146 HydrophobicContact CD2-CD1 3.83Å; F122-F146 AromaticContact CD2-CE1 3.58Å; F122-F146 HydrophobicContact CD2-CE1 3.58Å; F122-F146 HydrophobicContact CD2-CZ 4.12Å; F122-F146 HydrophobicContact CE2-CD1 4.48Å; F122-F146 AromaticContact CE2-CE1 3.78Å; F122-F146 HydrophobicContact CE2-CE1 3.78Å; F122-F146 HydrophobicContact CE2-CZ 4.07Å; F122-F146 HydrophobicContact CG-CD1 4.1Å; F122-F146 HydrophobicContact CG-CE1 4.13Å; F122-F146 HydrophobicContact CZ-CE1 4.47Å; F122-V149 HydrophobicContact CB-CG2 3.72Å; F122-V149 WeakPolarHBondContact O-CG2 3.26Å
123	A	91.3	Very high	93.6	Very high	8 Å²	8	33.4 Å²	33.4	7%	0.066	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	124.7	-175.1	0	0	0	0	0	112.6	F95 D120 F125 R147	F95-A123 HydrophobicContact CD1-CB 3.78Å; F95-A123 HydrophobicContact CE1-CB 3.82Å; D120-A123 HydrophobicContact CB-CB 3.65Å; D120-A123 WeakPolarHBondContact O-CB 3.48Å; D120-A123 PolarHBondContact O-N 3.29Å; A123-F125 VanDerWaalsContact C-N 3.27Å; A123-F125 PolarHBondContact O-N 3.28Å; A123-R147 VanDerWaalsContact CA-O 3.32Å; A123-R147 WeakPolarHBondContact CA-O 3.32Å
124	G	80.3	Confident	93.6	Very high	25 Å²	25	36.7 Å²	36.7	26%	0.258	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	12.6	-178.4	0	0	0	0	0	114.3	Y103 F122 Q126	Y103-G124 PolarHBondContact OH-O 3.21Å; F122-G124 PolarHBondContact O-N 2.86Å; G124-Q126 WeakPolarHBondContact O-CG 3.21Å; G124-Q126 PolarHBondContact O-N 2.63Å
125	F	90.6	Very high	93.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.			trans	-70.5	121.1	172.9	-168.2	-89	0	0	0	110.2	F97 Y103 P104 F107 F122 A123 A128 L131 V149 S150 V152	F97-F125 HydrophobicContact CB-CD2 3.77Å; F97-F125 HydrophobicContact CB-CE2 4.48Å; F97-F125 AromaticContact CD1-CD2 3.96Å; F97-F125 HydrophobicContact CD1-CD2 3.96Å; F97-F125 AromaticContact CD1-CE2 3.88Å; F97-F125 HydrophobicContact CD1-CE2 3.88Å; F97-F125 HydrophobicContact CD2-CD2 4.06Å; F97-F125 HydrophobicContact CE1-CE2 4.26Å; F97-F125 AromaticContact CG-CD2 3.65Å; F97-F125 HydrophobicContact CG-CD2 3.65Å; F97-F125 HydrophobicContact CG-CE2 4.07Å; Y103-F125 AromaticContact CD1-CD2 3.59Å; Y103-F125 HydrophobicContact CD1-CD2 3.59Å; Y103-F125 AromaticContact CD1-CE2 3.8Å; Y103-F125 HydrophobicContact CD1-CE2 3.8Å; Y103-F125 HydrophobicContact CD1-CG 4.06Å; Y103-F125 HydrophobicContact CD1-CZ 4.43Å; Y103-F125 HydrophobicContact CE1-CB 4.47Å; Y103-F125 AromaticContact CE1-CD2 3.95Å; Y103-F125 HydrophobicContact CE1-CD2 3.95Å; Y103-F125 HydrophobicContact CE1-CG 4.34Å; P104-F125 HydrophobicContact CG-CE2 4.46Å; P104-F125 HydrophobicContact CG-CZ 4.09Å; F107-F125 HydrophobicContact CB-CZ 4.21Å; F122-F125 HydrophobicContact CB-CB 4.27Å; F122-F125 HydrophobicContact CD1-CD2 4.49Å; F122-F125 HydrophobicContact CD1-CG 4.45Å; F122-F125 WeakPolarHBondContact O-CB 3.38Å; F122-F125 PolarHBondContact O-N 3.01Å; A123-F125 VanDerWaalsContact C-N 3.27Å; A123-F125 PolarHBondContact O-N 3.28Å; F125-A128 HydrophobicContact CD1-CB 4.37Å; F125-A128 HydrophobicContact CE1-CB 3.39Å; F125-A128 HydrophobicContact CZ-CB 3.99Å; F125-L131 HydrophobicContact CD1-CD1 4.16Å; F125-L131 HydrophobicContact CD1-CD2 3.98Å; F125-L131 HydrophobicContact CD1-CG 4.44Å; F125-L131 HydrophobicContact CE1-CD1 4.17Å; F125-L131 HydrophobicContact CE1-CD2 3.26Å; F125-L131 HydrophobicContact CE1-CG 3.95Å; F125-L131 HydrophobicContact CZ-CD2 3.63Å; F125-V149 HydrophobicContact CB-CG2 4.31Å; F125-V149 WeakPolarHBondContact O-CA 3.43Å; F125-S150 PolarHBondContact O-N 2.93Å; F125-V152 HydrophobicContact CD1-CG2 4.44Å
126	Q	90.5	Very high	93.7	Very high	75 Å²	75	35.8 Å²	35.8	35%	0.35	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-133.6	161.7	-172.6	-41	-169.1	-44.4	0	0	113.5	Y103 G124 A128 S150	Y103-Q126 WeakPolarHBondContact CB-O 3.22Å; Y103-Q126 HydrophobicContact CD2-CB 4.41Å; Y103-Q126 VanDerWaalsContact CD2-O 3.24Å; Y103-Q126 WeakPolarHBondContact CD2-O 3.19Å; Y103-Q126 HydrophobicContact CE2-CB 4.35Å; G124-Q126 WeakPolarHBondContact O-CG 3.21Å; G124-Q126 PolarHBondContact O-N 2.63Å; Q126-A128 VanDerWaalsContact C-N 3.28Å; Q126-A128 PolarHBondContact O-N 2.91Å; Q126-S150 WeakPolarHBondContact CA-O 3.13Å; Q126-S150 VanDerWaalsContact CD-OG 3.25Å; Q126-S150 WeakPolarHBondContact CG-OG 3.32Å; Q126-S150 PolarHBondContact NE2-OG 2.82Å
127	Q	86.8	Confident	93.9	Very high	129 Å²	129	36.8 Å²	36.8	60%	0.603	18%	0.182	S	C	*	.	S	Bend	trans	60.5	25.2	167.1	-59.6	-175.5	-25.9	0	0	116.2	S150 N151	Q127-S150 PolarHBondContact N-O 2.79Å; Q127-N151 WeakPolarHBondContact CA-O 3.35Å; Q127-N151 HydrophobicContact CG-CB 4.44Å; Q127-N151 PolarHBondContact N-O 3.35Å; Q127-N151 VanDerWaalsContact N-O 3.16Å
128	A	88.2	Confident	94	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	18%	0.183	C	C	.	.			trans	-90.4	142.1	173.2	0	0	0	0	0	111	P104 F125 Q126 N151 V152 D153	P104-A128 WeakPolarHBondContact O-CA 3.34Å; P104-A128 VanDerWaalsContact O-CB 3.27Å; P104-A128 WeakPolarHBondContact O-CB 3.39Å; F125-A128 HydrophobicContact CD1-CB 4.37Å; F125-A128 HydrophobicContact CE1-CB 3.39Å; F125-A128 HydrophobicContact CZ-CB 3.99Å; Q126-A128 VanDerWaalsContact C-N 3.28Å; Q126-A128 PolarHBondContact O-N 2.91Å; A128-N151 PolarHBondContact N-O 3.13Å; A128-V152 HydrophobicContact CB-CG2 4.31Å; A128-V152 WeakPolarHBondContact O-CA 3.46Å; A128-D153 PolarHBondContact O-N 2.84Å
129	K	91.5	Very high	94	Very high	95 Å²	95	39.8 Å²	39.8	41%	0.413	20%	0.195	S	C	.	.	S	Bend	trans	-71.1	-48.9	170.3	-61.1	173.1	-178.4	155.3	0	109.3	D105 D153 Y154	D105-K129 HydrophobicContact CB-CD 4.21Å; D105-K129 CarbonylContact O-C 3.48Å; D105-K129 WeakPolarHBondContact O-CA 3.27Å; D105-K129 VanDerWaalsContact O-CB 3.29Å; D105-K129 WeakPolarHBondContact O-CB 3.43Å; D105-K129 PolarHBondContact O-N 3.4Å; D105-K129 IonicContact OD1-NZ 3.33Å; D105-K129 IonicContact OD2-NZ 2.86Å; D105-K129 PolarHBondContact OD2-NZ 2.88Å; K129-D153 WeakPolarHBondContact O-CB 3.46Å; K129-D153 PolarHBondContact O-N 3.21Å; K129-Y154 PolarHBondContact O-N 2.87Å
130	H	94.3	Very high	94.1	Very high	49 Å²	49	42 Å²	42	23%	0.227	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.3	-168.4	-61.6	161.8	0	0	0	112.9	D105 Q106 F107 W132 Y154	D105-H130 PolarHBondContact O-N 2.97Å; Q106-H130 CarbonylContact C-O 3.55Å; Q106-H130 WeakPolarHBondContact CA-O 3.45Å; Q106-H130 HydrophobicContact CB-CB 4.31Å; Q106-H130 HydrophobicContact CG-CB 4.12Å; F107-H130 PolarHBondContact N-O 2.81Å; H130-W132 HydrophobicContact CB-CD2 4.3Å; H130-W132 HydrophobicContact CB-CG 4.34Å; H130-W132 HydrophobicContact CB-CZ2 4.28Å; H130-W132 AromaticContact CE1-CZ2 3.78Å; H130-W132 AromaticContact CG-CE2 3.77Å; H130-W132 AromaticContact CG-CZ2 3.78Å; H130-W132 AromaticContact CG-NE1 3.65Å; H130-W132 AromaticContact ND1-CE2 3.79Å; H130-W132 AromaticContact ND1-CH2 3.92Å; H130-W132 AromaticContact ND1-CZ2 3.35Å; H130-W132 WeakPolarHBondContact ND1-CZ2 3.15Å; H130-Y154 AromaticContact CD2-CD2 3.56Å; H130-Y154 AromaticContact NE2-CD2 3.73Å
131	L	95.7	Very high	94.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	103.3	164.1	-73.6	-178.5	0	0	0	109.1	F107 F125 V149 V152 Y154 L155 Y156	F107-L131 HydrophobicContact CB-CD2 3.63Å; F107-L131 HydrophobicContact CD1-CD2 3.96Å; F107-L131 HydrophobicContact CG-CD2 4.09Å; F107-L131 CarbonylContact O-C 3.53Å; F125-L131 HydrophobicContact CD1-CD1 4.16Å; F125-L131 HydrophobicContact CD1-CD2 3.98Å; F125-L131 HydrophobicContact CD1-CG 4.44Å; F125-L131 HydrophobicContact CE1-CD1 4.17Å; F125-L131 HydrophobicContact CE1-CD2 3.26Å; F125-L131 HydrophobicContact CE1-CG 3.95Å; F125-L131 HydrophobicContact CZ-CD2 3.63Å; L131-V149 HydrophobicContact CD1-CG1 4.41Å; L131-V152 HydrophobicContact CD1-CG1 4.15Å; L131-V152 HydrophobicContact CD1-CG2 4.3Å; L131-V152 HydrophobicContact CG-CG1 4.06Å; L131-Y154 PolarHBondContact N-O 2.78Å; L131-L155 HydrophobicContact CB-CD1 3.68Å; L131-L155 HydrophobicContact CD1-CD1 4.2Å; L131-Y156 PolarHBondContact O-N 3.44Å
132	W	96.5	Very high	94.1	Very high	86 Å²	86	42.3 Å²	42.3	33%	0.326	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.9	-169.8	-71.6	2.4	0	0	0	113	F107 T108 I109 H130 Y156	F107-W132 PolarHBondContact O-N 2.84Å; T108-W132 CarbonylContact C-O 3.59Å; T108-W132 VanDerWaalsContact CA-O 3.32Å; T108-W132 WeakPolarHBondContact CA-O 3.29Å; T108-W132 HydrophobicContact CG2-CB 4.23Å; I109-W132 PolarHBondContact N-O 3.11Å; H130-W132 HydrophobicContact CB-CD2 4.3Å; H130-W132 HydrophobicContact CB-CG 4.34Å; H130-W132 HydrophobicContact CB-CZ2 4.28Å; H130-W132 AromaticContact CE1-CZ2 3.78Å; H130-W132 AromaticContact CG-CE2 3.77Å; H130-W132 AromaticContact CG-CZ2 3.78Å; H130-W132 AromaticContact CG-NE1 3.65Å; H130-W132 AromaticContact ND1-CE2 3.79Å; H130-W132 AromaticContact ND1-CH2 3.92Å; H130-W132 AromaticContact ND1-CZ2 3.35Å; H130-W132 WeakPolarHBondContact ND1-CZ2 3.15Å; W132-Y156 CarbonylContact C-O 3.59Å; W132-Y156 WeakPolarHBondContact CA-O 3.35Å
133	F	97.4	Very high	94.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.2	169.9	-62.4	-103.2	0	0	0	107.6	I109 L117 F122 I138 F146 L155 Y156 F157 R158 V160	I109-F133 HydrophobicContact CB-CD1 4.18Å; I109-F133 HydrophobicContact CD1-CD1 4.09Å; I109-F133 HydrophobicContact CD1-CE1 3.64Å; I109-F133 HydrophobicContact CD1-CZ 4.36Å; I109-F133 HydrophobicContact CG1-CE1 4.5Å; I109-F133 CarbonylContact O-C 3.51Å; I109-F133 WeakPolarHBondContact O-CA 3.37Å; L117-F133 HydrophobicContact CD1-CE1 4.13Å; L117-F133 HydrophobicContact CD1-CZ 4.31Å; L117-F133 HydrophobicContact CD2-CE1 4.48Å; F122-F133 HydrophobicContact CE2-CZ 4.12Å; F122-F133 AromaticContact CZ-CZ 3.87Å; F122-F133 HydrophobicContact CZ-CZ 3.87Å; F133-I138 HydrophobicContact CD1-CD1 4.04Å; F133-I138 HydrophobicContact CE1-CD1 4.45Å; F133-F146 HydrophobicContact CE2-CE1 4.42Å; F133-F146 HydrophobicContact CE2-CZ 4.32Å; F133-F146 HydrophobicContact CZ-CE1 4.41Å; F133-F146 HydrophobicContact CZ-CZ 4.15Å; F133-L155 HydrophobicContact CE2-CD1 4.11Å; F133-Y156 PolarHBondContact N-O 3.41Å; F133-F157 HydrophobicContact CB-CD1 3.6Å; F133-F157 HydrophobicContact CB-CE1 4.06Å; F133-F157 HydrophobicContact CB-CG 4.43Å; F133-F157 HydrophobicContact CD1-CD1 4.49Å; F133-F157 HydrophobicContact CD1-CE1 4.15Å; F133-F157 AromaticContact CD2-CD1 3.67Å; F133-F157 HydrophobicContact CD2-CD1 3.67Å; F133-F157 AromaticContact CD2-CE1 3.32Å; F133-F157 HydrophobicContact CD2-CE1 3.32Å; F133-F157 HydrophobicContact CD2-CG 4.47Å; F133-F157 AromaticContact CD2-CZ 3.91Å; F133-F157 HydrophobicContact CD2-CZ 3.91Å; F133-F157 HydrophobicContact CE1-CE1 4.42Å; F133-F157 HydrophobicContact CE2-CD1 4.47Å; F133-F157 AromaticContact CE2-CE1 3.69Å; F133-F157 HydrophobicContact CE2-CE1 3.69Å; F133-F157 AromaticContact CE2-CZ 3.97Å; F133-F157 HydrophobicContact CE2-CZ 3.97Å; F133-F157 AromaticContact CG-CD1 3.69Å; F133-F157 HydrophobicContact CG-CD1 3.69Å; F133-F157 AromaticContact CG-CE1 3.59Å; F133-F157 HydrophobicContact CG-CE1 3.59Å; F133-F157 HydrophobicContact CZ-CE1 4.23Å; F133-F157 CarbonylContact O-C 3.57Å; F133-F157 WeakPolarHBondContact O-CA 3.47Å; F133-R158 PolarHBondContact O-N 3.5Å; F133-V160 HydrophobicContact CB-CG2 4.3Å
134	R	97.4	Very high	94.3	Very high	93 Å²	93	47.6 Å²	47.6	35%	0.351	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.9	-174.4	-177.2	-179.9	179.1	-178.9	-0.4	112.5	I109 R110 D111 V136 R158	I109-R134 PolarHBondContact O-N 3.26Å; R110-R134 CarbonylContact C-O 3.44Å; R110-R134 WeakPolarHBondContact CA-O 3.37Å; R110-R134 HydrophobicContact CG-CB 4.21Å; R110-R134 HydrophobicContact CG-CG 4.47Å; D111-R134 PolarHBondContact N-O 2.95Å; R134-V136 WeakPolarHBondContact O-CG2 3.4Å; R134-R158 CarbonylContact C-O 3.51Å; R134-R158 VanDerWaalsContact CA-O 3.3Å; R134-R158 WeakPolarHBondContact CA-O 3.37Å
135	N	97.1	Very high	95.1	Very high	79 Å²	79	46.4 Å²	46.4	42%	0.422	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.7	57.6	-178.2	-168.8	32.3	0	0	0	110.5	D111 S112 R158 E159	D111-N135 VanDerWaalsContact CA-O 3.24Å; D111-N135 WeakPolarHBondContact CA-O 3.48Å; D111-N135 PolarHBondContact N-O 3.09Å; D111-N135 WeakPolarHBondContact OD1-CB 3.32Å; D111-N135 PolarHBondContact OD1-ND2 3.2Å; S112-N135 PolarHBondContact N-O 2.92Å; N135-R158 PolarHBondContact N-O 3.1Å; N135-E159 WeakPolarHBondContact CA-O 3.32Å; N135-E159 PolarHBondContact N-O 3.34Å
136	V	97.8	Very high	95.4	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.5	-174.4	178	0	0	0	0	110.1	I109 S112 V114 R134 I138 E159 V160 N161	I109-V136 HydrophobicContact CG2-CG2 3.94Å; S112-V136 WeakPolarHBondContact O-CA 3.31Å; S112-V136 WeakPolarHBondContact O-CG1 3.21Å; V114-V136 HydrophobicContact CB-CG1 4.29Å; V114-V136 HydrophobicContact CG2-CG1 3.61Å; R134-V136 WeakPolarHBondContact O-CG2 3.4Å; V136-I138 HydrophobicContact CG1-CD1 4.33Å; V136-I138 HydrophobicContact CG1-CG1 3.66Å; V136-E159 PolarHBondContact N-O 3.24Å; V136-V160 HydrophobicContact CB-CG2 4.48Å; V136-V160 VanDerWaalsContact O-CA 3.26Å; V136-V160 WeakPolarHBondContact O-CA 3.25Å; V136-V160 WeakPolarHBondContact O-CG1 3.38Å; V136-N161 PolarHBondContact O-N 3.46Å
137	T	98	Very high	95.6	Very high	51 Å²	51	46.9 Å²	46.9	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.3	164.1	-63.7	0	0	0	0	109	S112 A113 V114 N161	S112-T137 PolarHBondContact O-N 3.5Å; S112-T137 VanDerWaalsContact O-N 3.12Å; A113-T137 CarbonylContact C-O 3.5Å; A113-T137 WeakPolarHBondContact CA-O 3.02Å; V114-T137 PolarHBondContact N-O 3.48Å; T137-N161 CarbonylContact C-O 3.52Å; T137-N161 WeakPolarHBondContact CA-O 3.36Å; T137-N161 HydrophobicContact CG2-CB 4.42Å
138	I	97.7	Very high	95.9	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	108.4	178.1	-53.3	-177.8	0	0	0	108.4	V114 L117 F133 V136 V141 F157 V160 N161 F162 E163	V114-I138 HydrophobicContact CB-CG1 4.13Å; V114-I138 HydrophobicContact CB-CG2 4.38Å; V114-I138 HydrophobicContact CG1-CG2 4.36Å; V114-I138 HydrophobicContact CG2-CG1 4.45Å; V114-I138 WeakPolarHBondContact O-CA 3.41Å; L117-I138 HydrophobicContact CD1-CD1 4.35Å; L117-I138 HydrophobicContact CD1-CG2 4.42Å; L117-I138 HydrophobicContact CG-CG2 4.4Å; F133-I138 HydrophobicContact CD1-CD1 4.04Å; F133-I138 HydrophobicContact CE1-CD1 4.45Å; V136-I138 HydrophobicContact CG1-CD1 4.33Å; V136-I138 HydrophobicContact CG1-CG1 3.66Å; I138-V141 HydrophobicContact CG2-CG2 3.73Å; I138-F157 HydrophobicContact CD1-CD1 4.37Å; I138-F157 HydrophobicContact CD1-CE1 4.17Å; I138-V160 HydrophobicContact CD1-CG1 3.95Å; I138-V160 HydrophobicContact CG1-CG1 3.99Å; I138-N161 PolarHBondContact N-O 2.81Å; I138-F162 HydrophobicContact CB-CD1 4Å; I138-F162 HydrophobicContact CB-CE1 4.39Å; I138-F162 HydrophobicContact CD1-CD1 4.22Å; I138-F162 HydrophobicContact CD1-CE1 3.72Å; I138-F162 HydrophobicContact CD1-CZ 4.41Å; I138-F162 HydrophobicContact CG1-CE1 4.46Å; I138-F162 HydrophobicContact CG2-CD1 4.44Å; I138-F162 WeakPolarHBondContact O-CA 3.37Å; I138-E163 PolarHBondContact O-N 2.69Å
139	H	97.7	Very high	96.2	Very high	69 Å²	69	44 Å²	44	32%	0.319	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-48.1	-179.7	-74.5	-85.1	0	0	0	111.4	V114 H115 E163 T164	V114-H139 PolarHBondContact O-N 3.28Å; H115-H139 WeakPolarHBondContact O-CB 3.29Å; H139-E163 IonicContact CE1-OE2 3.37Å; H139-E163 IonicContact CG-OE2 3.16Å; H139-E163 IonicContact ND1-OE2 3.45Å; H139-E163 PolarHBondContact ND1-OE2 3.19Å; H139-E163 VanDerWaalsContact O-CB 3.3Å; H139-E163 WeakPolarHBondContact O-CB 3.35Å; H139-T164 PolarHBondContact O-N 2.98Å
140	R	97.6	Very high	96.3	Very high	92 Å²	92	39.7 Å²	39.7	35%	0.347	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	127.5	178.5	-166.6	162.4	62.8	124.2	-6.7	113.3	H115 L116 L117 Q142 T164 Q166	H115-R140 PolarHBondContact O-N 3.39Å; L116-R140 HydrophobicContact CD1-CB 3.96Å; L116-R140 HydrophobicContact CD1-CG 4.36Å; L117-R140 PolarHBondContact N-O 3.24Å; R140-Q142 HydrophobicContact CG-CG 4.41Å; R140-Q142 VanDerWaalsContact CZ-NE2 3.35Å; R140-T164 WeakPolarHBondContact CA-O 3.32Å; R140-Q166 HydrophobicContact CG-CG 4.25Å
141	V	97.7	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.1	162.6	-166.8	0	0	0	0	107.6	L117 I138 A145 F146 F162 T164 I165 Q166 A169	L117-V141 HydrophobicContact CB-CG1 4.35Å; L117-V141 HydrophobicContact CD1-CG1 4.37Å; L117-V141 HydrophobicContact CD1-CG2 4.26Å; I138-V141 HydrophobicContact CG2-CG2 3.73Å; V141-A145 HydrophobicContact CG1-CB 3.89Å; V141-F146 HydrophobicContact CG1-CE2 4.11Å; V141-F162 HydrophobicContact CG2-CD1 4.09Å; V141-F162 HydrophobicContact CG2-CE1 4.19Å; V141-T164 PolarHBondContact N-O 2.98Å; V141-I165 HydrophobicContact CB-CG2 4.47Å; V141-I165 HydrophobicContact CG2-CG1 4.46Å; V141-Q166 WeakPolarHBondContact O-CB 3.27Å; V141-Q166 WeakPolarHBondContact O-CG 3.28Å; V141-Q166 PolarHBondContact O-N 3.49Å; V141-A169 HydrophobicContact CB-CB 4.26Å; V141-A169 HydrophobicContact CG1-CB 3.75Å
142	Q	97.2	Very high	96.1	Very high	33 Å²	33	41.6 Å²	41.6	15%	0.154	19%	0.185	C	C	.	.			trans	-74.3	161.1	-179.7	-72	-174.3	-15.8	0	0	112.3	L116 L117 R140 N144 A145 Q166 A169	L116-Q142 HydrophobicContact CD1-CG 3.7Å; L117-Q142 WeakPolarHBondContact O-CB 3.37Å; L117-Q142 PolarHBondContact O-N 2.91Å; R140-Q142 HydrophobicContact CG-CG 4.41Å; R140-Q142 VanDerWaalsContact CZ-NE2 3.35Å; Q142-N144 PolarHBondContact O-N 3.26Å; Q142-A145 WeakPolarHBondContact O-CB 3.37Å; Q142-A145 PolarHBondContact O-N 2.87Å; Q142-Q166 VanDerWaalsContact CA-OE1 3.28Å; Q142-A169 WeakPolarHBondContact O-CA 3.36Å
143	R	95.3	Very high	96	Very high	100 Å²	100	41.4 Å²	41.4	38%	0.377	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	137.6	169.5	-177.8	176.4	180	-171.6	0.3	110.5	T119 A145 S167 R196	T119-R143 WeakPolarHBondContact CB-O 3.42Å; T119-R143 PolarHBondContact OG1-O 3.29Å; R143-A145 PolarHBondContact O-N 3.39Å; R143-S167 WeakPolarHBondContact CB-O 3.34Å; R143-S167 WeakPolarHBondContact CG-O 3.48Å; R143-R196 VanDerWaalsContact NH2-NH1 3.13Å
144	N	95.8	Very high	95.9	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.102	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	23.4	179	-57.2	-41.7	0	0	0	114.9	T119 D120 Q142 F146 R147 G168	T119-N144 HydrophobicContact CG2-CB 4.11Å; D120-N144 PolarHBondContact N-O 2.81Å; Q142-N144 PolarHBondContact O-N 3.26Å; N144-F146 PolarHBondContact O-N 2.82Å; N144-R147 HydrophobicContact CB-CB 3.92Å; N144-R147 VanDerWaalsContact O-CB 3.32Å; N144-R147 WeakPolarHBondContact O-CB 3.38Å; N144-R147 PolarHBondContact O-N 2.9Å; N144-G168 PolarHBondContact N-O 2.85Å
145	A	96.9	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.4	-179.5	0	0	0	0	0	113.7	L117 A118 A121 F122 V141 Q142 R143 A169	L117-A145 HydrophobicContact CB-CB 4.31Å; A118-A145 WeakPolarHBondContact O-CA 3.44Å; A118-A145 WeakPolarHBondContact O-CB 3.35Å; A121-A145 PolarHBondContact N-O 3.28Å; F122-A145 PolarHBondContact N-O 2.89Å; F122-A145 VanDerWaalsContact N-O 3.11Å; V141-A145 HydrophobicContact CG1-CB 3.89Å; Q142-A145 WeakPolarHBondContact O-CB 3.37Å; Q142-A145 PolarHBondContact O-N 2.87Å; R143-A145 PolarHBondContact O-N 3.39Å; A145-A169 PolarHBondContact N-O 3.39Å
146	F	95.8	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	20.6	179.1	-64	-91.8	0	0	0	113.4	L117 F122 F133 V141 N144 H148 V149 L155 F157 F170 V173	L117-F146 HydrophobicContact CD1-CE2 4.15Å; L117-F146 HydrophobicContact CD1-CZ 4Å; F122-F146 HydrophobicContact CB-CD1 4.2Å; F122-F146 AromaticContact CD2-CD1 3.83Å; F122-F146 HydrophobicContact CD2-CD1 3.83Å; F122-F146 AromaticContact CD2-CE1 3.58Å; F122-F146 HydrophobicContact CD2-CE1 3.58Å; F122-F146 HydrophobicContact CD2-CZ 4.12Å; F122-F146 HydrophobicContact CE2-CD1 4.48Å; F122-F146 AromaticContact CE2-CE1 3.78Å; F122-F146 HydrophobicContact CE2-CE1 3.78Å; F122-F146 HydrophobicContact CE2-CZ 4.07Å; F122-F146 HydrophobicContact CG-CD1 4.1Å; F122-F146 HydrophobicContact CG-CE1 4.13Å; F122-F146 HydrophobicContact CZ-CE1 4.47Å; F133-F146 HydrophobicContact CE2-CE1 4.42Å; F133-F146 HydrophobicContact CE2-CZ 4.32Å; F133-F146 HydrophobicContact CZ-CE1 4.41Å; F133-F146 HydrophobicContact CZ-CZ 4.15Å; V141-F146 HydrophobicContact CG1-CE2 4.11Å; N144-F146 PolarHBondContact O-N 2.82Å; F146-H148 PolarHBondContact O-N 3.47Å; F146-V149 HydrophobicContact CB-CG2 4.08Å; F146-V149 HydrophobicContact CD1-CG2 4.37Å; F146-V149 WeakPolarHBondContact O-CB 3.43Å; F146-V149 WeakPolarHBondContact O-CG2 3.37Å; F146-V149 PolarHBondContact O-N 2.87Å; F146-L155 HydrophobicContact CE1-CD1 4.16Å; F146-F157 HydrophobicContact CZ-CZ 4.03Å; F146-F170 HydrophobicContact CB-CD1 4.43Å; F146-F170 AromaticContact CD2-CD1 3.49Å; F146-F170 HydrophobicContact CD2-CD1 3.49Å; F146-F170 VanDerWaalsContact CD2-CD1 3.49Å; F146-F170 AromaticContact CD2-CE1 3.59Å; F146-F170 HydrophobicContact CD2-CE1 3.59Å; F146-F170 HydrophobicContact CD2-CG 4.49Å; F146-F170 AromaticContact CE2-CD1 3.91Å; F146-F170 HydrophobicContact CE2-CD1 3.91Å; F146-F170 AromaticContact CE2-CE1 3.48Å; F146-F170 HydrophobicContact CE2-CE1 3.48Å; F146-F170 VanDerWaalsContact CE2-CE1 3.48Å; F146-F170 HydrophobicContact CE2-CZ 4.35Å; F146-F170 HydrophobicContact CG-CD1 4.04Å; F146-F170 HydrophobicContact CG-CE1 4.37Å; F146-F170 HydrophobicContact CZ-CE1 4.18Å; F146-V173 HydrophobicContact CB-CG2 3.99Å; F146-V173 WeakPolarHBondContact O-CG2 3Å
147	R	95	Very high	95.8	Very high	84 Å²	84	40 Å²	40	32%	0.317	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	138.7	-176.4	175.1	172.7	-169.6	-167.7	5.6	111.6	D120 A123 N144 V149 N172	D120-R147 WeakPolarHBondContact OD1-CD 3.34Å; A123-R147 VanDerWaalsContact CA-O 3.32Å; A123-R147 WeakPolarHBondContact CA-O 3.32Å; N144-R147 HydrophobicContact CB-CB 3.92Å; N144-R147 VanDerWaalsContact O-CB 3.32Å; N144-R147 WeakPolarHBondContact O-CB 3.38Å; N144-R147 PolarHBondContact O-N 2.9Å; R147-V149 PolarHBondContact O-N 3.07Å; R147-V149 VanDerWaalsContact O-N 3.14Å; R147-N172 HydrophobicContact CG-CB 4.15Å
148	H	92.7	Very high	95.7	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.329	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	14.2	-179.2	-48	148.1	0	0	0	115.2	F146 S150 N172	F146-H148 PolarHBondContact O-N 3.47Å; H148-S150 PolarHBondContact O-N 2.71Å; H148-N172 PolarHBondContact N-O 3.09Å
149	V	94.3	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.192	C	C	.	.			trans	-63.1	132.1	163.3	174.2	0	0	0	0	108.5	F122 F125 L131 F146 R147 V152 Q174 I176	F122-V149 HydrophobicContact CB-CG2 3.72Å; F122-V149 WeakPolarHBondContact O-CG2 3.26Å; F125-V149 HydrophobicContact CB-CG2 4.31Å; F125-V149 WeakPolarHBondContact O-CA 3.43Å; L131-V149 HydrophobicContact CD1-CG1 4.41Å; F146-V149 HydrophobicContact CB-CG2 4.08Å; F146-V149 HydrophobicContact CD1-CG2 4.37Å; F146-V149 WeakPolarHBondContact O-CB 3.43Å; F146-V149 WeakPolarHBondContact O-CG2 3.37Å; F146-V149 PolarHBondContact O-N 2.87Å; R147-V149 PolarHBondContact O-N 3.07Å; R147-V149 VanDerWaalsContact O-N 3.14Å; V149-V152 HydrophobicContact CG1-CB 4.43Å; V149-V152 HydrophobicContact CG1-CG2 3.68Å; V149-Q174 PolarHBondContact O-N 3.29Å; V149-I176 HydrophobicContact CG1-CD1 4.18Å; V149-I176 HydrophobicContact CG1-CG1 4.43Å
150	S	94.1	Very high	95.7	Very high	5 Å²	5	41 Å²	41	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	146.9	-173.3	63.5	0	0	0	0	112.4	F125 Q126 Q127 H148 S175	F125-S150 PolarHBondContact O-N 2.93Å; Q126-S150 WeakPolarHBondContact CA-O 3.13Å; Q126-S150 VanDerWaalsContact CD-OG 3.25Å; Q126-S150 WeakPolarHBondContact CG-OG 3.32Å; Q126-S150 PolarHBondContact NE2-OG 2.82Å; Q127-S150 PolarHBondContact N-O 2.79Å; H148-S150 PolarHBondContact O-N 2.71Å; S150-S175 CarbonylContact C-O 3.45Å
151	N	92.1	Very high	95.7	Very high	88 Å²	88	39 Å²	39	47%	0.471	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	49.4	178.9	-56.1	-26.3	0	0	0	111.7	Q127 A128 S175	Q127-N151 WeakPolarHBondContact CA-O 3.35Å; Q127-N151 HydrophobicContact CG-CB 4.44Å; Q127-N151 PolarHBondContact N-O 3.35Å; Q127-N151 VanDerWaalsContact N-O 3.16Å; A128-N151 PolarHBondContact N-O 3.13Å; N151-S175 PolarHBondContact N-O 3.37Å
152	V	94.1	Very high	95.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.8	172	176.1	0	0	0	0	110.1	F125 A128 L131 V149 S175 I176 G177	F125-V152 HydrophobicContact CD1-CG2 4.44Å; A128-V152 HydrophobicContact CB-CG2 4.31Å; A128-V152 WeakPolarHBondContact O-CA 3.46Å; L131-V152 HydrophobicContact CD1-CG1 4.15Å; L131-V152 HydrophobicContact CD1-CG2 4.3Å; L131-V152 HydrophobicContact CG-CG1 4.06Å; V149-V152 HydrophobicContact CG1-CB 4.43Å; V149-V152 HydrophobicContact CG1-CG2 3.68Å; V152-S175 PolarHBondContact N-O 2.72Å; V152-I176 HydrophobicContact CB-CG1 4.24Å; V152-I176 CarbonylContact O-C 3.53Å; V152-I176 VanDerWaalsContact O-CA 3.25Å; V152-I176 WeakPolarHBondContact O-CA 3.15Å; V152-G177 PolarHBondContact O-N 3.38Å
153	D	94.3	Very high	95.8	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-41.8	-176.3	-62	-26.3	0	0	0	111.8	A128 K129 N178	A128-D153 PolarHBondContact O-N 2.84Å; K129-D153 WeakPolarHBondContact O-CB 3.46Å; K129-D153 PolarHBondContact O-N 3.21Å; D153-N178 PolarHBondContact O-N 3.37Å; D153-N178 PolarHBondContact O-ND2 3.12Å
154	Y	95.8	Very high	95.9	Very high	89 Å²	89	37.8 Å²	37.8	35%	0.349	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.2	-176.4	-61.8	-93.3	0	0	0	112.7	K129 H130 L131 N178 F180	K129-Y154 PolarHBondContact O-N 2.87Å; H130-Y154 AromaticContact CD2-CD2 3.56Å; H130-Y154 AromaticContact NE2-CD2 3.73Å; L131-Y154 PolarHBondContact N-O 2.78Å; Y154-N178 CarbonylContact C-O 3.6Å; Y154-N178 VanDerWaalsContact CA-O 3.32Å; Y154-N178 WeakPolarHBondContact CA-O 3.49Å; Y154-N178 HydrophobicContact CD1-CB 3.82Å; Y154-N178 HydrophobicContact CE1-CB 3.99Å; Y154-F180 AromaticContact CD1-CD2 3.96Å; Y154-F180 HydrophobicContact CD1-CD2 3.96Å; Y154-F180 AromaticContact CD1-CE2 3.64Å; Y154-F180 HydrophobicContact CD1-CE2 3.64Å; Y154-F180 AromaticContact CE1-CE2 3.76Å; Y154-F180 HydrophobicContact CE1-CE2 3.76Å
155	L	96	Very high	96	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114	161.7	175.4	60.5	0	0	0	108.6	L131 F133 F146 F157 F170 I176 N178 I179 F180	L131-L155 HydrophobicContact CB-CD1 3.68Å; L131-L155 HydrophobicContact CD1-CD1 4.2Å; F133-L155 HydrophobicContact CE2-CD1 4.11Å; F146-L155 HydrophobicContact CE1-CD1 4.16Å; L155-F157 HydrophobicContact CD1-CE2 3.8Å; L155-F157 HydrophobicContact CD1-CZ 3.95Å; L155-F157 HydrophobicContact CD2-CE2 3.92Å; L155-F157 HydrophobicContact CD2-CZ 4.43Å; L155-F157 HydrophobicContact CG-CD2 4.38Å; L155-F157 HydrophobicContact CG-CE2 3.64Å; L155-F157 HydrophobicContact CG-CZ 4.27Å; L155-F170 HydrophobicContact CD2-CD1 4.25Å; L155-F170 HydrophobicContact CD2-CE1 4.13Å; L155-I176 HydrophobicContact CB-CD1 4.25Å; L155-I176 HydrophobicContact CB-CG2 4.34Å; L155-I176 HydrophobicContact CD2-CD1 4.08Å; L155-N178 PolarHBondContact N-O 3.17Å; L155-I179 HydrophobicContact CB-CG1 4.39Å; L155-I179 HydrophobicContact CD2-CG2 4.29Å; L155-I179 HydrophobicContact CG-CG2 4.44Å; L155-I179 CarbonylContact O-C 3.54Å; L155-I179 VanDerWaalsContact O-CA 3.31Å; L155-I179 WeakPolarHBondContact O-CA 3.44Å; L155-F180 PolarHBondContact O-N 2.96Å
156	Y	96.5	Very high	95.9	Very high	53 Å²	53	40 Å²	40	21%	0.208	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.4	-165.8	-159.8	-92.3	0	0	0	111.4	L131 W132 F133 R158 F180	L131-Y156 PolarHBondContact O-N 3.44Å; W132-Y156 CarbonylContact C-O 3.59Å; W132-Y156 WeakPolarHBondContact CA-O 3.35Å; F133-Y156 PolarHBondContact N-O 3.41Å; Y156-R158 HydrophobicContact CD1-CB 3.96Å; Y156-R158 HydrophobicContact CE1-CB 3.49Å; Y156-R158 VanDerWaalsContact CE1-CB 3.49Å; Y156-R158 HydrophobicContact CE1-CG 4.27Å; Y156-F180 CarbonylContact C-O 3.06Å; Y156-F180 WeakPolarHBondContact CA-O 3.25Å; Y156-F180 HydrophobicContact CD2-CB 3.3Å; Y156-F180 AromaticContact CD2-CD2 3.75Å; Y156-F180 HydrophobicContact CD2-CD2 3.75Å; Y156-F180 AromaticContact CD2-CG 3.82Å; Y156-F180 HydrophobicContact CD2-CG 3.82Å; Y156-F180 HydrophobicContact CE2-CB 3.48Å; Y156-F180 VanDerWaalsContact CE2-CB 3.48Å; Y156-F180 HydrophobicContact CE2-CD2 4.03Å; Y156-F180 AromaticContact CE2-CG 3.85Å; Y156-F180 HydrophobicContact CE2-CG 3.85Å; Y156-F180 HydrophobicContact CG-CB 4.17Å
157	F	97.4	Very high	95.9	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120	171.8	-60.3	-89.2	0	0	0	108.6	F133 I138 F146 L155 V160 F162 F170 F180 I181 R182	F133-F157 HydrophobicContact CB-CD1 3.6Å; F133-F157 HydrophobicContact CB-CE1 4.06Å; F133-F157 HydrophobicContact CB-CG 4.43Å; F133-F157 HydrophobicContact CD1-CD1 4.49Å; F133-F157 HydrophobicContact CD1-CE1 4.15Å; F133-F157 AromaticContact CD2-CD1 3.67Å; F133-F157 HydrophobicContact CD2-CD1 3.67Å; F133-F157 AromaticContact CD2-CE1 3.32Å; F133-F157 HydrophobicContact CD2-CE1 3.32Å; F133-F157 HydrophobicContact CD2-CG 4.47Å; F133-F157 AromaticContact CD2-CZ 3.91Å; F133-F157 HydrophobicContact CD2-CZ 3.91Å; F133-F157 HydrophobicContact CE1-CE1 4.42Å; F133-F157 HydrophobicContact CE2-CD1 4.47Å; F133-F157 AromaticContact CE2-CE1 3.69Å; F133-F157 HydrophobicContact CE2-CE1 3.69Å; F133-F157 AromaticContact CE2-CZ 3.97Å; F133-F157 HydrophobicContact CE2-CZ 3.97Å; F133-F157 AromaticContact CG-CD1 3.69Å; F133-F157 HydrophobicContact CG-CD1 3.69Å; F133-F157 AromaticContact CG-CE1 3.59Å; F133-F157 HydrophobicContact CG-CE1 3.59Å; F133-F157 HydrophobicContact CZ-CE1 4.23Å; F133-F157 CarbonylContact O-C 3.57Å; F133-F157 WeakPolarHBondContact O-CA 3.47Å; I138-F157 HydrophobicContact CD1-CD1 4.37Å; I138-F157 HydrophobicContact CD1-CE1 4.17Å; F146-F157 HydrophobicContact CZ-CZ 4.03Å; L155-F157 HydrophobicContact CD1-CE2 3.8Å; L155-F157 HydrophobicContact CD1-CZ 3.95Å; L155-F157 HydrophobicContact CD2-CE2 3.92Å; L155-F157 HydrophobicContact CD2-CZ 4.43Å; L155-F157 HydrophobicContact CG-CD2 4.38Å; L155-F157 HydrophobicContact CG-CE2 3.64Å; L155-F157 HydrophobicContact CG-CZ 4.27Å; F157-V160 HydrophobicContact CB-CG2 3.98Å; F157-V160 HydrophobicContact CD1-CG2 4.38Å; F157-F162 HydrophobicContact CB-CZ 4.2Å; F157-F162 HydrophobicContact CD1-CE1 4.17Å; F157-F162 AromaticContact CD1-CZ 3.6Å; F157-F162 HydrophobicContact CD1-CZ 3.6Å; F157-F162 HydrophobicContact CE1-CE1 4.25Å; F157-F162 HydrophobicContact CE1-CZ 4.09Å; F157-F162 AromaticContact CG-CZ 3.91Å; F157-F162 HydrophobicContact CG-CZ 3.91Å; F157-F170 HydrophobicContact CE2-CE1 4.03Å; F157-F170 HydrophobicContact CE2-CZ 4.18Å; F157-F170 AromaticContact CZ-CE1 3.99Å; F157-F170 HydrophobicContact CZ-CE1 3.99Å; F157-F170 HydrophobicContact CZ-CZ 4.19Å; F157-F180 PolarHBondContact N-O 3.27Å; F157-I181 HydrophobicContact CB-CG1 4.2Å; F157-I181 HydrophobicContact CB-CG2 4.43Å; F157-I181 HydrophobicContact CD2-CG1 3.84Å; F157-I181 HydrophobicContact CG-CG1 4.4Å; F157-I181 CarbonylContact O-C 3.59Å; F157-I181 WeakPolarHBondContact O-CA 3.33Å; F157-R182 PolarHBondContact O-N 3.41Å
158	R	96.6	Very high	95.9	Very high	84 Å²	84	36.6 Å²	36.6	32%	0.317	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.7	179.1	172.3	175.3	172.9	168.8	8.1	112	F133 R134 N135 Y156 V160 R182	F133-R158 PolarHBondContact O-N 3.5Å; R134-R158 CarbonylContact C-O 3.51Å; R134-R158 VanDerWaalsContact CA-O 3.3Å; R134-R158 WeakPolarHBondContact CA-O 3.37Å; N135-R158 PolarHBondContact N-O 3.1Å; Y156-R158 HydrophobicContact CD1-CB 3.96Å; Y156-R158 HydrophobicContact CE1-CB 3.49Å; Y156-R158 VanDerWaalsContact CE1-CB 3.49Å; Y156-R158 HydrophobicContact CE1-CG 4.27Å; R158-V160 VanDerWaalsContact C-N 3.28Å; R158-V160 PolarHBondContact O-N 3.45Å; R158-R182 VanDerWaalsContact CA-O 3.3Å; R158-R182 WeakPolarHBondContact CA-O 3.41Å
159	E	96.5	Very high	96	Very high	56 Å²	56	33.2 Å²	33.2	26%	0.262	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	47.9	-178.7	-62.2	159.1	-142.1	0	0	110.2	N135 V136 R182 S183	N135-E159 WeakPolarHBondContact CA-O 3.32Å; N135-E159 PolarHBondContact N-O 3.34Å; V136-E159 PolarHBondContact N-O 3.24Å; E159-R182 PolarHBondContact N-O 3.13Å; E159-S183 WeakPolarHBondContact CA-O 3.19Å; E159-S183 WeakPolarHBondContact CG-O 3.28Å; E159-S183 PolarHBondContact N-O 3.12Å
160	V	97.9	Very high	96.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.6	-175.4	-179.7	0	0	0	0	111.3	F133 V136 I138 F157 R158 F162 V185 N186	F133-V160 HydrophobicContact CB-CG2 4.3Å; V136-V160 HydrophobicContact CB-CG2 4.48Å; V136-V160 VanDerWaalsContact O-CA 3.26Å; V136-V160 WeakPolarHBondContact O-CA 3.25Å; V136-V160 WeakPolarHBondContact O-CG1 3.38Å; I138-V160 HydrophobicContact CD1-CG1 3.95Å; I138-V160 HydrophobicContact CG1-CG1 3.99Å; F157-V160 HydrophobicContact CB-CG2 3.98Å; F157-V160 HydrophobicContact CD1-CG2 4.38Å; R158-V160 VanDerWaalsContact C-N 3.28Å; R158-V160 PolarHBondContact O-N 3.45Å; V160-F162 HydrophobicContact CB-CD2 4.25Å; V160-F162 HydrophobicContact CB-CE2 3.72Å; V160-F162 HydrophobicContact CB-CZ 4.12Å; V160-F162 HydrophobicContact CG1-CD1 4.14Å; V160-F162 HydrophobicContact CG1-CD2 3.65Å; V160-F162 HydrophobicContact CG1-CE1 3.87Å; V160-F162 HydrophobicContact CG1-CE2 3.35Å; V160-F162 HydrophobicContact CG1-CG 4.06Å; V160-F162 HydrophobicContact CG1-CZ 3.48Å; V160-F162 VanDerWaalsContact CG1-CZ 3.48Å; V160-V185 WeakPolarHBondContact O-CA 3.35Å; V160-N186 PolarHBondContact O-N 2.88Å; V160-N186 VanDerWaalsContact O-N 3.07Å
161	N	98.2	Very high	96.1	Very high	52 Å²	52	33.1 Å²	33.1	28%	0.278	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.4	170.3	-179.2	53.6	0	0	0	109.5	V136 T137 I138 N186	V136-N161 PolarHBondContact O-N 3.46Å; T137-N161 CarbonylContact C-O 3.52Å; T137-N161 WeakPolarHBondContact CA-O 3.36Å; T137-N161 HydrophobicContact CG2-CB 4.42Å; I138-N161 PolarHBondContact N-O 2.81Å; N161-N186 CarbonylContact C-O 3.55Å; N161-N186 WeakPolarHBondContact CA-O 3.2Å; N161-N186 WeakPolarHBondContact OD1-CB 3.37Å; N161-N186 PolarHBondContact OD1-ND2 2.83Å
162	F	98.1	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.1	174.8	-60.6	-90.7	0	0	0	110.2	I138 V141 F157 V160 I165 I181 V185 N186 V187 Q188	I138-F162 HydrophobicContact CB-CD1 4Å; I138-F162 HydrophobicContact CB-CE1 4.39Å; I138-F162 HydrophobicContact CD1-CD1 4.22Å; I138-F162 HydrophobicContact CD1-CE1 3.72Å; I138-F162 HydrophobicContact CD1-CZ 4.41Å; I138-F162 HydrophobicContact CG1-CE1 4.46Å; I138-F162 HydrophobicContact CG2-CD1 4.44Å; I138-F162 WeakPolarHBondContact O-CA 3.37Å; V141-F162 HydrophobicContact CG2-CD1 4.09Å; V141-F162 HydrophobicContact CG2-CE1 4.19Å; F157-F162 HydrophobicContact CB-CZ 4.2Å; F157-F162 HydrophobicContact CD1-CE1 4.17Å; F157-F162 AromaticContact CD1-CZ 3.6Å; F157-F162 HydrophobicContact CD1-CZ 3.6Å; F157-F162 HydrophobicContact CE1-CE1 4.25Å; F157-F162 HydrophobicContact CE1-CZ 4.09Å; F157-F162 AromaticContact CG-CZ 3.91Å; F157-F162 HydrophobicContact CG-CZ 3.91Å; V160-F162 HydrophobicContact CB-CD2 4.25Å; V160-F162 HydrophobicContact CB-CE2 3.72Å; V160-F162 HydrophobicContact CB-CZ 4.12Å; V160-F162 HydrophobicContact CG1-CD1 4.14Å; V160-F162 HydrophobicContact CG1-CD2 3.65Å; V160-F162 HydrophobicContact CG1-CE1 3.87Å; V160-F162 HydrophobicContact CG1-CE2 3.35Å; V160-F162 HydrophobicContact CG1-CG 4.06Å; V160-F162 HydrophobicContact CG1-CZ 3.48Å; V160-F162 VanDerWaalsContact CG1-CZ 3.48Å; F162-I165 HydrophobicContact CB-CD1 4.18Å; F162-I165 HydrophobicContact CB-CG1 3.98Å; F162-I165 HydrophobicContact CD1-CD1 3.89Å; F162-I165 HydrophobicContact CD1-CG1 3.81Å; F162-I165 HydrophobicContact CD2-CD1 4.28Å; F162-I165 HydrophobicContact CE1-CD1 4.25Å; F162-I165 HydrophobicContact CE1-CG1 4.48Å; F162-I165 HydrophobicContact CG-CD1 3.88Å; F162-I165 HydrophobicContact CG-CG1 4.02Å; F162-I181 HydrophobicContact CE2-CG2 4.39Å; F162-V185 HydrophobicContact CD2-CG1 4.07Å; F162-V185 HydrophobicContact CE2-CG1 4.04Å; F162-N186 PolarHBondContact N-O 3Å; F162-V187 HydrophobicContact CB-CB 4.4Å; F162-V187 HydrophobicContact CB-CG1 4.16Å; F162-V187 HydrophobicContact CB-CG2 4.19Å; F162-V187 HydrophobicContact CD2-CG2 3.85Å; F162-V187 HydrophobicContact CG-CG2 4.38Å; F162-V187 CarbonylContact O-C 3.27Å; F162-V187 WeakPolarHBondContact O-CA 3.33Å; F162-Q188 PolarHBondContact O-N 2.87Å
163	E	98.2	Very high	96.2	Very high	72 Å²	72	31.1 Å²	31.1	34%	0.336	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-57.7	169	-177.4	-173.2	169.9	0	0	109.7	I138 H139 Q188 R189	I138-E163 PolarHBondContact O-N 2.69Å; H139-E163 IonicContact CE1-OE2 3.37Å; H139-E163 IonicContact CG-OE2 3.16Å; H139-E163 IonicContact ND1-OE2 3.45Å; H139-E163 PolarHBondContact ND1-OE2 3.19Å; H139-E163 VanDerWaalsContact O-CB 3.3Å; H139-E163 WeakPolarHBondContact O-CB 3.35Å; E163-Q188 VanDerWaalsContact O-CB 3.28Å; E163-Q188 WeakPolarHBondContact O-CB 3.12Å; E163-R189 PolarHBondContact O-N 3.09Å
164	T	97.7	Very high	96	Very high	35 Å²	35	32.4 Å²	32.4	22%	0.215	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.9	175.4	-58.2	0	0	0	0	113	H139 R140 V141 Q166 R189	H139-T164 PolarHBondContact O-N 2.98Å; R140-T164 WeakPolarHBondContact CA-O 3.32Å; V141-T164 PolarHBondContact N-O 2.98Å; T164-Q166 HydrophobicContact CG2-CG 4.14Å; T164-R189 HydrophobicContact CG2-CB 4.36Å
165	I	97.5	Very high	95.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.3	164.1	-53	177.2	0	0	0	107.1	V141 F162 A169 F170 V187 R189 M190 G191 L194	V141-I165 HydrophobicContact CB-CG2 4.47Å; V141-I165 HydrophobicContact CG2-CG1 4.46Å; F162-I165 HydrophobicContact CB-CD1 4.18Å; F162-I165 HydrophobicContact CB-CG1 3.98Å; F162-I165 HydrophobicContact CD1-CD1 3.89Å; F162-I165 HydrophobicContact CD1-CG1 3.81Å; F162-I165 HydrophobicContact CD2-CD1 4.28Å; F162-I165 HydrophobicContact CE1-CD1 4.25Å; F162-I165 HydrophobicContact CE1-CG1 4.48Å; F162-I165 HydrophobicContact CG-CD1 3.88Å; F162-I165 HydrophobicContact CG-CG1 4.02Å; I165-A169 HydrophobicContact CG2-CB 3.67Å; I165-F170 HydrophobicContact CG2-CE2 4.07Å; I165-V187 HydrophobicContact CD1-CG1 3.93Å; I165-V187 HydrophobicContact CD1-CG2 4.36Å; I165-V187 HydrophobicContact CG1-CG1 4.23Å; I165-R189 PolarHBondContact N-O 2.81Å; I165-M190 HydrophobicContact CD1-CE 4.31Å; I165-G191 PolarHBondContact O-N 2.95Å; I165-L194 HydrophobicContact CG2-CD2 3.69Å
166	Q	95.9	Very high	95.5	Very high	61 Å²	61	30.6 Å²	30.6	29%	0.285	15%	0.151	S	C	.	.			trans	-69.8	159.9	-177.7	-68.2	-168.1	-33.4	0	0	112.4	R140 V141 Q142 T164 G168 A169	R140-Q166 HydrophobicContact CG-CG 4.25Å; V141-Q166 WeakPolarHBondContact O-CB 3.27Å; V141-Q166 WeakPolarHBondContact O-CG 3.28Å; V141-Q166 PolarHBondContact O-N 3.49Å; Q142-Q166 VanDerWaalsContact CA-OE1 3.28Å; T164-Q166 HydrophobicContact CG2-CG 4.14Å; Q166-G168 PolarHBondContact O-N 3.04Å; Q166-A169 VanDerWaalsContact O-CB 3.27Å; Q166-A169 WeakPolarHBondContact O-CB 3.37Å; Q166-A169 PolarHBondContact O-N 3.41Å; Q166-A169 VanDerWaalsContact O-N 3.11Å
167	S	94.8	Very high	95.3	Very high	11 Å²	11	28.7 Å²	28.7	8%	0.077	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	131.5	175.2	-55.8	0	0	0	0	111.1	R143 A169 S192 E245	R143-S167 WeakPolarHBondContact CB-O 3.34Å; R143-S167 WeakPolarHBondContact CG-O 3.48Å; S167-A169 VanDerWaalsContact C-N 3.32Å; S167-A169 PolarHBondContact O-N 3.11Å; S167-S192 CarbonylContact C-O 3.48Å; S167-S192 WeakPolarHBondContact CA-O 3.16Å; S167-S192 WeakPolarHBondContact CB-O 3.17Å; S167-S192 WeakPolarHBondContact CB-OG 3.32Å; S167-S192 PolarHBondContact OG-N 2.93Å; S167-S192 PolarHBondContact OG-OG 2.8Å; S167-E245 WeakPolarHBondContact CB-OE1 3.29Å; S167-E245 WeakPolarHBondContact CB-OE2 3.33Å; S167-E245 PolarHBondContact OG-OE1 2.83Å; S167-E245 VanDerWaalsContact OG-OE1 3.09Å; S167-E245 PolarHBondContact OG-OE2 2.82Å
168	G	94.5	Very high	95.2	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	27.4	-175.4	0	0	0	0	0	115.5	N144 Q166 F170 A171 S192 A193 L194	N144-G168 PolarHBondContact N-O 2.85Å; Q166-G168 PolarHBondContact O-N 3.04Å; G168-F170 VanDerWaalsContact C-N 3.25Å; G168-F170 PolarHBondContact O-N 2.99Å; G168-A171 WeakPolarHBondContact O-CB 3.18Å; G168-A171 PolarHBondContact O-N 3.07Å; G168-S192 PolarHBondContact N-O 2.8Å; G168-A193 VanDerWaalsContact CA-O 3.32Å; G168-A193 WeakPolarHBondContact CA-O 3.23Å; G168-A193 PolarHBondContact N-O 2.91Å; G168-L194 CarbonylContact C-O 3.52Å
169	A	95.9	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.1	177	0	0	0	0	0	113.9	V141 Q142 A145 I165 Q166 S167	V141-A169 HydrophobicContact CB-CB 4.26Å; V141-A169 HydrophobicContact CG1-CB 3.75Å; Q142-A169 WeakPolarHBondContact O-CA 3.36Å; A145-A169 PolarHBondContact N-O 3.39Å; I165-A169 HydrophobicContact CG2-CB 3.67Å; Q166-A169 VanDerWaalsContact O-CB 3.27Å; Q166-A169 WeakPolarHBondContact O-CB 3.37Å; Q166-A169 PolarHBondContact O-N 3.41Å; Q166-A169 VanDerWaalsContact O-N 3.11Å; S167-A169 VanDerWaalsContact C-N 3.32Å; S167-A169 PolarHBondContact O-N 3.11Å
170	F	95.8	Very high	95.2	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.018	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	28.3	179.4	-54.3	-82.9	0	0	0	112	F146 L155 F157 I165 G168 V173 L194 F195 S198	F146-F170 HydrophobicContact CB-CD1 4.43Å; F146-F170 AromaticContact CD2-CD1 3.49Å; F146-F170 HydrophobicContact CD2-CD1 3.49Å; F146-F170 VanDerWaalsContact CD2-CD1 3.49Å; F146-F170 AromaticContact CD2-CE1 3.59Å; F146-F170 HydrophobicContact CD2-CE1 3.59Å; F146-F170 HydrophobicContact CD2-CG 4.49Å; F146-F170 AromaticContact CE2-CD1 3.91Å; F146-F170 HydrophobicContact CE2-CD1 3.91Å; F146-F170 AromaticContact CE2-CE1 3.48Å; F146-F170 HydrophobicContact CE2-CE1 3.48Å; F146-F170 VanDerWaalsContact CE2-CE1 3.48Å; F146-F170 HydrophobicContact CE2-CZ 4.35Å; F146-F170 HydrophobicContact CG-CD1 4.04Å; F146-F170 HydrophobicContact CG-CE1 4.37Å; F146-F170 HydrophobicContact CZ-CE1 4.18Å; L155-F170 HydrophobicContact CD2-CD1 4.25Å; L155-F170 HydrophobicContact CD2-CE1 4.13Å; F157-F170 HydrophobicContact CE2-CE1 4.03Å; F157-F170 HydrophobicContact CE2-CZ 4.18Å; F157-F170 AromaticContact CZ-CE1 3.99Å; F157-F170 HydrophobicContact CZ-CE1 3.99Å; F157-F170 HydrophobicContact CZ-CZ 4.19Å; I165-F170 HydrophobicContact CG2-CE2 4.07Å; G168-F170 VanDerWaalsContact C-N 3.25Å; G168-F170 PolarHBondContact O-N 2.99Å; F170-V173 VanDerWaalsContact O-CG2 3.32Å; F170-V173 WeakPolarHBondContact O-CG2 3.09Å; F170-L194 CarbonylContact C-O 3.56Å; F170-L194 WeakPolarHBondContact CA-O 3.42Å; F170-L194 WeakPolarHBondContact CB-O 3.29Å; F170-L194 HydrophobicContact CD2-CB 4.36Å; F170-L194 PolarHBondContact N-O 3.1Å; F170-F195 HydrophobicContact CB-CD1 3.55Å; F170-F195 HydrophobicContact CB-CE1 3.57Å; F170-F195 HydrophobicContact CB-CG 4.41Å; F170-F195 HydrophobicContact CB-CZ 4.45Å; F170-F195 HydrophobicContact CD1-CE1 4.5Å; F170-F195 AromaticContact CD2-CE1 3.97Å; F170-F195 HydrophobicContact CD2-CE1 3.97Å; F170-F195 HydrophobicContact CD2-CZ 4.07Å; F170-F195 HydrophobicContact CG-CD1 4.27Å; F170-F195 AromaticContact CG-CE1 3.78Å; F170-F195 HydrophobicContact CG-CE1 3.78Å; F170-F195 HydrophobicContact CG-CZ 4.34Å; F170-S198 PolarHBondContact O-OG 3.48Å
171	A	94.7	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	149.6	-178.1	0	0	0	0	0	112.5	G168 V173 L194 R196	G168-A171 WeakPolarHBondContact O-CB 3.18Å; G168-A171 PolarHBondContact O-N 3.07Å; A171-V173 PolarHBondContact O-N 2.83Å; A171-L194 PolarHBondContact N-O 2.74Å; A171-R196 CarbonylContact C-O 3.59Å; A171-R196 VanDerWaalsContact CA-O 3.23Å; A171-R196 WeakPolarHBondContact CA-O 3.5Å; A171-R196 HydrophobicContact CB-CB 4.14Å; A171-R196 WeakPolarHBondContact CB-O 3.48Å
172	N	94.5	Very high	94.9	Very high	44 Å²	44	26.5 Å²	26.5	24%	0.235	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.1	177.6	-57.8	-42.2	0	0	0	114	R147 H148 R196 S198	R147-N172 HydrophobicContact CG-CB 4.15Å; H148-N172 PolarHBondContact N-O 3.09Å; N172-R196 PolarHBondContact N-O 2.94Å; N172-S198 PolarHBondContact N-OG 3Å
173	V	93.9	Very high	94.5	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.148	C	C	.	.			trans	-78.9	119.5	167.2	171	0	0	0	0	107.6	F146 F170 A171 I176 S198 K199	F146-V173 HydrophobicContact CB-CG2 3.99Å; F146-V173 WeakPolarHBondContact O-CG2 3Å; F170-V173 VanDerWaalsContact O-CG2 3.32Å; F170-V173 WeakPolarHBondContact O-CG2 3.09Å; A171-V173 PolarHBondContact O-N 2.83Å; V173-I176 HydrophobicContact CG1-CB 4.29Å; V173-I176 HydrophobicContact CG1-CD1 3.35Å; V173-I176 HydrophobicContact CG1-CG1 3.39Å; V173-S198 PolarHBondContact N-OG 3.06Å; V173-S198 CarbonylContact O-C 3.36Å; V173-S198 WeakPolarHBondContact O-CA 3.28Å; V173-S198 WeakPolarHBondContact O-CB 3.47Å; V173-K199 PolarHBondContact O-N 3.45Å
174	Q	88.9	Confident	94.1	Very high	108 Å²	108	33.3 Å²	33.3	51%	0.505	17%	0.169	S	C	.	.			trans	-82.1	-32.3	-165.6	-67.8	-178	-9.7	0	0	113.8	V149 K199	V149-Q174 PolarHBondContact O-N 3.29Å; Q174-K199 WeakPolarHBondContact O-CB 3.36Å
175	S	88.7	Confident	94	Very high	52 Å²	52	31.8 Å²	31.8	36%	0.364	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	111.8	177.7	-176.4	0	0	0	0	110.1	S150 N151 V152	S150-S175 CarbonylContact C-O 3.45Å; N151-S175 PolarHBondContact N-O 3.37Å; V152-S175 PolarHBondContact N-O 2.72Å
176	I	92.8	Very high	94.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.4	165.7	-65.8	-177.6	0	0	0	108.4	V149 V152 L155 V173 I179 K199 F200 D201	V149-I176 HydrophobicContact CG1-CD1 4.18Å; V149-I176 HydrophobicContact CG1-CG1 4.43Å; V152-I176 HydrophobicContact CB-CG1 4.24Å; V152-I176 CarbonylContact O-C 3.53Å; V152-I176 VanDerWaalsContact O-CA 3.25Å; V152-I176 WeakPolarHBondContact O-CA 3.15Å; L155-I176 HydrophobicContact CB-CD1 4.25Å; L155-I176 HydrophobicContact CB-CG2 4.34Å; L155-I176 HydrophobicContact CD2-CD1 4.08Å; V173-I176 HydrophobicContact CG1-CB 4.29Å; V173-I176 HydrophobicContact CG1-CD1 3.35Å; V173-I176 HydrophobicContact CG1-CG1 3.39Å; I176-I179 HydrophobicContact CB-CG1 4.38Å; I176-I179 HydrophobicContact CG2-CD1 4.44Å; I176-I179 HydrophobicContact CG2-CG1 3.72Å; I176-K199 PolarHBondContact N-O 3.03Å; I176-F200 HydrophobicContact CB-CB 4.42Å; I176-F200 CarbonylContact O-C 3.54Å; I176-F200 WeakPolarHBondContact O-CA 3.3Å; I176-F200 VanDerWaalsContact O-CB 3.32Å; I176-F200 WeakPolarHBondContact O-CB 3.35Å; I176-D201 PolarHBondContact O-N 3.05Å; I176-D201 VanDerWaalsContact O-N 3.13Å
177	G	92.1	Very high	94.2	Very high	12 Å²	12	31.1 Å²	31.1	12%	0.124	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-70.5	173.7	0	0	0	0	0	110.5	V152 D201 K202	V152-G177 PolarHBondContact O-N 3.38Å; G177-D201 WeakPolarHBondContact O-CA 3.38Å; G177-D201 VanDerWaalsContact O-CB 3.29Å; G177-D201 WeakPolarHBondContact O-CB 3.41Å; G177-D201 PolarHBondContact O-N 3.04Å; G177-D201 VanDerWaalsContact O-N 3.1Å; G177-K202 PolarHBondContact O-N 3.33Å
178	N	95.8	Very high	94.3	Very high	37 Å²	37	34 Å²	34	20%	0.198	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.8	-172.7	-54.7	-92.4	0	0	0	112.6	D153 Y154 L155 F180 K202	D153-N178 PolarHBondContact O-N 3.37Å; D153-N178 PolarHBondContact O-ND2 3.12Å; Y154-N178 CarbonylContact C-O 3.6Å; Y154-N178 VanDerWaalsContact CA-O 3.32Å; Y154-N178 WeakPolarHBondContact CA-O 3.49Å; Y154-N178 HydrophobicContact CD1-CB 3.82Å; Y154-N178 HydrophobicContact CE1-CB 3.99Å; L155-N178 PolarHBondContact N-O 3.17Å; N178-F180 HydrophobicContact CB-CD2 3.89Å; N178-F180 HydrophobicContact CB-CE2 3.32Å; N178-F180 HydrophobicContact CB-CZ 3.92Å; N178-K202 CarbonylContact C-O 3.57Å; N178-K202 WeakPolarHBondContact CA-O 3.38Å; N178-K202 WeakPolarHBondContact OD1-CB 3.37Å
179	I	97	Very high	94.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.7	171.9	-52.6	177.4	0	0	0	107.8	L155 I176 F195 F200 K202 L203 V204	L155-I179 HydrophobicContact CB-CG1 4.39Å; L155-I179 HydrophobicContact CD2-CG2 4.29Å; L155-I179 HydrophobicContact CG-CG2 4.44Å; L155-I179 CarbonylContact O-C 3.54Å; L155-I179 VanDerWaalsContact O-CA 3.31Å; L155-I179 WeakPolarHBondContact O-CA 3.44Å; I176-I179 HydrophobicContact CB-CG1 4.38Å; I176-I179 HydrophobicContact CG2-CD1 4.44Å; I176-I179 HydrophobicContact CG2-CG1 3.72Å; I179-F195 HydrophobicContact CD1-CD1 4.19Å; I179-F195 HydrophobicContact CD1-CE1 3.59Å; I179-F195 HydrophobicContact CD1-CZ 4.4Å; I179-F200 HydrophobicContact CD1-CB 4.13Å; I179-F200 HydrophobicContact CD1-CD1 4.39Å; I179-F200 HydrophobicContact CD1-CG 4.1Å; I179-K202 PolarHBondContact N-O 3.47Å; I179-L203 HydrophobicContact CB-CD1 3.78Å; I179-L203 HydrophobicContact CG2-CD1 3.63Å; I179-L203 CarbonylContact O-C 3.59Å; I179-L203 VanDerWaalsContact O-CA 3.32Å; I179-L203 WeakPolarHBondContact O-CA 3.32Å; I179-V204 PolarHBondContact O-N 2.99Å
180	F	96.8	Very high	94.5	Very high	27 Å²	27	41.3 Å²	41.3	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.2	-178.3	-71.6	-69.4	0	0	0	110	Y154 L155 Y156 F157 N178 R182 V204	Y154-F180 AromaticContact CD1-CD2 3.96Å; Y154-F180 HydrophobicContact CD1-CD2 3.96Å; Y154-F180 AromaticContact CD1-CE2 3.64Å; Y154-F180 HydrophobicContact CD1-CE2 3.64Å; Y154-F180 AromaticContact CE1-CE2 3.76Å; Y154-F180 HydrophobicContact CE1-CE2 3.76Å; L155-F180 PolarHBondContact O-N 2.96Å; Y156-F180 CarbonylContact C-O 3.06Å; Y156-F180 WeakPolarHBondContact CA-O 3.25Å; Y156-F180 HydrophobicContact CD2-CB 3.3Å; Y156-F180 AromaticContact CD2-CD2 3.75Å; Y156-F180 HydrophobicContact CD2-CD2 3.75Å; Y156-F180 AromaticContact CD2-CG 3.82Å; Y156-F180 HydrophobicContact CD2-CG 3.82Å; Y156-F180 HydrophobicContact CE2-CB 3.48Å; Y156-F180 VanDerWaalsContact CE2-CB 3.48Å; Y156-F180 HydrophobicContact CE2-CD2 4.03Å; Y156-F180 AromaticContact CE2-CG 3.85Å; Y156-F180 HydrophobicContact CE2-CG 3.85Å; Y156-F180 HydrophobicContact CG-CB 4.17Å; F157-F180 PolarHBondContact N-O 3.27Å; N178-F180 HydrophobicContact CB-CD2 3.89Å; N178-F180 HydrophobicContact CB-CE2 3.32Å; N178-F180 HydrophobicContact CB-CZ 3.92Å; F180-R182 HydrophobicContact CB-CG 4.33Å; F180-V204 CarbonylContact C-O 3.55Å; F180-V204 WeakPolarHBondContact CA-O 3.32Å; F180-V204 HydrophobicContact CD1-CB 3.67Å; F180-V204 HydrophobicContact CD1-CG1 4.49Å; F180-V204 HydrophobicContact CD1-CG2 3.82Å; F180-V204 HydrophobicContact CE1-CB 3.91Å; F180-V204 HydrophobicContact CE1-CG2 3.5Å; F180-V204 VanDerWaalsContact CE1-CG2 3.5Å
181	I	97	Very high	94.4	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	96.9	173.8	-59.1	174.2	0	0	0	106.3	F157 F162 V185 V204 I205 E206	F157-I181 HydrophobicContact CB-CG1 4.2Å; F157-I181 HydrophobicContact CB-CG2 4.43Å; F157-I181 HydrophobicContact CD2-CG1 3.84Å; F157-I181 HydrophobicContact CG-CG1 4.4Å; F157-I181 CarbonylContact O-C 3.59Å; F157-I181 WeakPolarHBondContact O-CA 3.33Å; F162-I181 HydrophobicContact CE2-CG2 4.39Å; I181-V185 HydrophobicContact CG2-CB 4.21Å; I181-V185 HydrophobicContact CG2-CG1 3.7Å; I181-V185 HydrophobicContact CG2-CG2 3.84Å; I181-V204 PolarHBondContact N-O 3.1Å; I181-I205 HydrophobicContact CB-CG1 4.34Å; I181-I205 HydrophobicContact CB-CG2 4.24Å; I181-I205 HydrophobicContact CD1-CD1 4.37Å; I181-I205 HydrophobicContact CD1-CG1 4.28Å; I181-I205 HydrophobicContact CG2-CG2 4.19Å; I181-I205 CarbonylContact O-C 3.59Å; I181-I205 VanDerWaalsContact O-CA 3.28Å; I181-I205 WeakPolarHBondContact O-CA 3.32Å; I181-E206 PolarHBondContact O-N 3.2Å
182	R	92.6	Very high	94.3	Very high	75 Å²	75	41.8 Å²	41.8	28%	0.283	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.4	-165.1	-53.8	-177.7	73.4	-177.2	-2.8	113.8	F157 R158 E159 F180 E206	F157-R182 PolarHBondContact O-N 3.41Å; R158-R182 VanDerWaalsContact CA-O 3.3Å; R158-R182 WeakPolarHBondContact CA-O 3.41Å; E159-R182 PolarHBondContact N-O 3.13Å; F180-R182 HydrophobicContact CB-CG 4.33Å; R182-E206 WeakPolarHBondContact CA-O 3.22Å; R182-E206 HydrophobicContact CB-CB 4.29Å; R182-E206 HydrophobicContact CG-CB 3.96Å; R182-E206 IonicContact CZ-OE1 2.78Å; R182-E206 IonicContact CZ-OE2 2.76Å; R182-E206 IonicContact NE-OE1 3.8Å; R182-E206 IonicContact NE-OE2 3.8Å; R182-E206 PolarHBondContact NE-OE2 2.93Å; R182-E206 IonicContact NH2-OE1 2.69Å; R182-E206 PolarHBondContact NH2-OE1 3.09Å; R182-E206 VanDerWaalsContact NH2-OE1 3.08Å; R182-E206 IonicContact NH2-OE2 3.55Å; R182-E206 PolarHBondContact NH2-OE2 3.44Å
183	S	88.9	Confident	94.2	Very high	34 Å²	34	39.7 Å²	39.7	24%	0.238	19%	0.193	C	C	.	.	S	Bend	trans	62.8	98.6	170.8	-50.8	0	0	0	0	113.9	E159 E206	E159-S183 WeakPolarHBondContact CA-O 3.19Å; E159-S183 WeakPolarHBondContact CG-O 3.28Å; E159-S183 PolarHBondContact N-O 3.12Å; S183-E206 PolarHBondContact N-O 3.28Å
184	K	89.6	Confident	94.3	Very high	181 Å²	181	39.7 Å²	39.7	79%	0.787	19%	0.193	S	C	*	.	S	Bend	trans	56.9	52.1	175.8	-57.4	-178.5	179.7	180	0	112.6	D207	K184-D207 PolarHBondContact N-O 3.5Å
185	V	97.1	Very high	94.6	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.5	176.1	172.8	0	0	0	0	109.5	V160 F162 I181 V187 D207 A208 T209	V160-V185 WeakPolarHBondContact O-CA 3.35Å; F162-V185 HydrophobicContact CD2-CG1 4.07Å; F162-V185 HydrophobicContact CE2-CG1 4.04Å; I181-V185 HydrophobicContact CG2-CB 4.21Å; I181-V185 HydrophobicContact CG2-CG1 3.7Å; I181-V185 HydrophobicContact CG2-CG2 3.84Å; V185-V187 HydrophobicContact CG1-CG2 4Å; V185-D207 PolarHBondContact N-O 3.43Å; V185-D207 VanDerWaalsContact N-O 3.09Å; V185-A208 HydrophobicContact CB-CB 3.67Å; V185-A208 HydrophobicContact CG1-CB 3.97Å; V185-A208 CarbonylContact O-C 3.58Å; V185-A208 WeakPolarHBondContact O-CA 3.31Å; V185-A208 WeakPolarHBondContact O-CB 3.39Å; V185-T209 PolarHBondContact O-N 3.25Å
186	N	98.3	Very high	94.9	Very high	47 Å²	47	34.8 Å²	34.8	25%	0.251	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.6	171.5	-178.2	41.5	0	0	0	109.2	V160 N161 F162 T209	V160-N186 PolarHBondContact O-N 2.88Å; V160-N186 VanDerWaalsContact O-N 3.07Å; N161-N186 CarbonylContact C-O 3.55Å; N161-N186 WeakPolarHBondContact CA-O 3.2Å; N161-N186 WeakPolarHBondContact OD1-CB 3.37Å; N161-N186 PolarHBondContact OD1-ND2 2.83Å; F162-N186 PolarHBondContact N-O 3Å; N186-T209 CarbonylContact C-O 3.37Å; N186-T209 WeakPolarHBondContact CA-O 3.5Å; N186-T209 PolarHBondContact OD1-O 2.89Å; N186-T209 PolarHBondContact OD1-OG1 2.91Å
187	V	98.1	Very high	94.9	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.1	177.6	-174.1	0	0	0	0	108.3	F162 I165 V185 M190 T209 V210 T211	F162-V187 HydrophobicContact CB-CB 4.4Å; F162-V187 HydrophobicContact CB-CG1 4.16Å; F162-V187 HydrophobicContact CB-CG2 4.19Å; F162-V187 HydrophobicContact CD2-CG2 3.85Å; F162-V187 HydrophobicContact CG-CG2 4.38Å; F162-V187 CarbonylContact O-C 3.27Å; F162-V187 WeakPolarHBondContact O-CA 3.33Å; I165-V187 HydrophobicContact CD1-CG1 3.93Å; I165-V187 HydrophobicContact CD1-CG2 4.36Å; I165-V187 HydrophobicContact CG1-CG1 4.23Å; V185-V187 HydrophobicContact CG1-CG2 4Å; V187-M190 HydrophobicContact CB-CE 4.45Å; V187-M190 HydrophobicContact CG1-CB 4.06Å; V187-M190 HydrophobicContact CG1-CE 4.11Å; V187-M190 HydrophobicContact CG2-CE 4.13Å; V187-T209 PolarHBondContact N-O 2.95Å; V187-V210 HydrophobicContact CB-CG1 4.18Å; V187-V210 HydrophobicContact CB-CG2 4.22Å; V187-V210 HydrophobicContact CG1-CG1 4.4Å; V187-V210 HydrophobicContact CG2-CG2 4.45Å; V187-V210 CarbonylContact O-C 3.52Å; V187-V210 VanDerWaalsContact O-CA 3.29Å; V187-V210 WeakPolarHBondContact O-CA 3.49Å; V187-T211 PolarHBondContact O-N 2.87Å
188	Q	98.1	Very high	95.1	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-46.6	177.9	-52.6	-175.7	-9.3	0	0	111.4	F162 E163 T211 S212	F162-Q188 PolarHBondContact O-N 2.87Å; E163-Q188 VanDerWaalsContact O-CB 3.28Å; E163-Q188 WeakPolarHBondContact O-CB 3.12Å; Q188-T211 WeakPolarHBondContact O-CB 3.23Å; Q188-S212 PolarHBondContact O-N 2.82Å
189	R	97.2	Very high	95	Very high	142 Å²	142	39.7 Å²	39.7	54%	0.536	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.3	178	-64.5	-174.8	-179.3	85.8	0.2	112.2	E163 T164 I165 S212	E163-R189 PolarHBondContact O-N 3.09Å; T164-R189 HydrophobicContact CG2-CB 4.36Å; I165-R189 PolarHBondContact N-O 2.81Å; R189-S212 WeakPolarHBondContact CA-O 3.39Å
190	M	96.4	Very high	95	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.064	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.7	176.6	-171.5	178.8	-71.1	0	0	110.9	I165 V187 L194 V210 S212 M213 S214	I165-M190 HydrophobicContact CD1-CE 4.31Å; V187-M190 HydrophobicContact CB-CE 4.45Å; V187-M190 HydrophobicContact CG1-CB 4.06Å; V187-M190 HydrophobicContact CG1-CE 4.11Å; V187-M190 HydrophobicContact CG2-CE 4.13Å; M190-L194 HydrophobicContact CG-CD1 3.71Å; M190-L194 HydrophobicContact CG-CD2 4.44Å; M190-L194 HydrophobicContact CG-CG 4.47Å; M190-L194 HydrophobicContact SD-CD1 3.81Å; M190-V210 HydrophobicContact CB-CG1 4.24Å; M190-V210 HydrophobicContact CE-CG2 4.34Å; M190-S212 PolarHBondContact N-O 3.37Å; M190-M213 HydrophobicContact CB-CG 4.28Å; M190-M213 HydrophobicContact CG-CG 4.47Å; M190-M213 HydrophobicContact SD-CE 3.95Å; M190-M213 HydrophobicContact SD-CG 4.06Å; M190-M213 HydrophobicContact SD-SD 4.17Å; M190-S214 PolarHBondContact O-N 3.1Å
191	G	94.5	Very high	94.9	Very high	13 Å²	13	43.9 Å²	43.9	13%	0.134	21%	0.211	C	C	.	.			trans	-72.8	-178.1	-177.4	0	0	0	0	0	114.9	I165 S217	I165-G191 PolarHBondContact O-N 2.95Å; G191-S217 WeakPolarHBondContact O-CA 3.31Å; G191-S217 WeakPolarHBondContact O-CB 3.26Å; G191-S217 PolarHBondContact O-OG 3.14Å
192	S	92.9	Very high	94.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	22%	0.223	C	C	.	.	S	Bend	trans	-85.3	158.5	-178.3	69.2	0	0	0	0	112.4	S167 G168 L194 E245	S167-S192 CarbonylContact C-O 3.48Å; S167-S192 WeakPolarHBondContact CA-O 3.16Å; S167-S192 WeakPolarHBondContact CB-O 3.17Å; S167-S192 WeakPolarHBondContact CB-OG 3.32Å; S167-S192 PolarHBondContact OG-N 2.93Å; S167-S192 PolarHBondContact OG-OG 2.8Å; G168-S192 PolarHBondContact N-O 2.8Å; S192-L194 VanDerWaalsContact C-N 3.28Å; S192-L194 PolarHBondContact O-N 2.83Å; S192-L194 VanDerWaalsContact O-N 3.07Å; S192-E245 PolarHBondContact OG-OE2 2.82Å
193	A	92.5	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.			trans	45.4	46.9	170.6	0	0	0	0	0	114.3	G168 F195 R196 Y216 I219 L248	G168-A193 VanDerWaalsContact CA-O 3.32Å; G168-A193 WeakPolarHBondContact CA-O 3.23Å; G168-A193 PolarHBondContact N-O 2.91Å; A193-F195 PolarHBondContact O-N 3.08Å; A193-F195 VanDerWaalsContact O-N 3.12Å; A193-R196 HydrophobicContact CB-CB 4.16Å; A193-R196 WeakPolarHBondContact O-CB 3.4Å; A193-R196 PolarHBondContact O-N 2.83Å; A193-R196 VanDerWaalsContact O-N 3.1Å; A193-Y216 PolarHBondContact N-O 3.44Å; A193-I219 WeakPolarHBondContact CA-O 3.07Å; A193-I219 HydrophobicContact CB-CG2 4.3Å; A193-L248 HydrophobicContact CB-CB 4.21Å
194	L	95.2	Very high	95.5	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-38.7	-170.4	-68.7	-178.2	0	0	0	112.5	I165 G168 F170 A171 M190 S192 S217	I165-L194 HydrophobicContact CG2-CD2 3.69Å; G168-L194 CarbonylContact C-O 3.52Å; F170-L194 CarbonylContact C-O 3.56Å; F170-L194 WeakPolarHBondContact CA-O 3.42Å; F170-L194 WeakPolarHBondContact CB-O 3.29Å; F170-L194 HydrophobicContact CD2-CB 4.36Å; F170-L194 PolarHBondContact N-O 3.1Å; A171-L194 PolarHBondContact N-O 2.74Å; M190-L194 HydrophobicContact CG-CD1 3.71Å; M190-L194 HydrophobicContact CG-CD2 4.44Å; M190-L194 HydrophobicContact CG-CG 4.47Å; M190-L194 HydrophobicContact SD-CD1 3.81Å; S192-L194 VanDerWaalsContact C-N 3.28Å; S192-L194 PolarHBondContact O-N 2.83Å; S192-L194 VanDerWaalsContact O-N 3.07Å; L194-S217 WeakPolarHBondContact CB-O 3.37Å; L194-S217 WeakPolarHBondContact CG-O 3.46Å; L194-S217 PolarHBondContact N-O 3.23Å
195	F	95.2	Very high	95.8	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.022	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	27.4	-175.4	-58.7	-79.8	0	0	0	112.8	F170 I179 A193 G197 S198 F200 L203 L218 A221	F170-F195 HydrophobicContact CB-CD1 3.55Å; F170-F195 HydrophobicContact CB-CE1 3.57Å; F170-F195 HydrophobicContact CB-CG 4.41Å; F170-F195 HydrophobicContact CB-CZ 4.45Å; F170-F195 HydrophobicContact CD1-CE1 4.5Å; F170-F195 AromaticContact CD2-CE1 3.97Å; F170-F195 HydrophobicContact CD2-CE1 3.97Å; F170-F195 HydrophobicContact CD2-CZ 4.07Å; F170-F195 HydrophobicContact CG-CD1 4.27Å; F170-F195 AromaticContact CG-CE1 3.78Å; F170-F195 HydrophobicContact CG-CE1 3.78Å; F170-F195 HydrophobicContact CG-CZ 4.34Å; I179-F195 HydrophobicContact CD1-CD1 4.19Å; I179-F195 HydrophobicContact CD1-CE1 3.59Å; I179-F195 HydrophobicContact CD1-CZ 4.4Å; A193-F195 PolarHBondContact O-N 3.08Å; A193-F195 VanDerWaalsContact O-N 3.12Å; F195-G197 PolarHBondContact O-N 3.01Å; F195-S198 WeakPolarHBondContact O-CB 3.32Å; F195-S198 PolarHBondContact O-N 3.13Å; F195-S198 PolarHBondContact O-OG 3.32Å; F195-F200 HydrophobicContact CB-CE1 3.77Å; F195-F200 HydrophobicContact CD1-CD1 4.26Å; F195-F200 AromaticContact CD1-CE1 3.94Å; F195-F200 HydrophobicContact CD1-CE1 3.94Å; F195-F200 HydrophobicContact CD2-CE1 4.42Å; F195-F200 AromaticContact CG-CE1 3.78Å; F195-F200 HydrophobicContact CG-CE1 3.78Å; F195-F200 HydrophobicContact CG-CZ 4.32Å; F195-L203 HydrophobicContact CD2-CD2 4.31Å; F195-L203 HydrophobicContact CE2-CD2 3.5Å; F195-L203 HydrophobicContact CZ-CD1 4.1Å; F195-L203 HydrophobicContact CZ-CD2 3.79Å; F195-L218 HydrophobicContact CE2-CD2 4.41Å; F195-A221 HydrophobicContact CB-CB 4.42Å; F195-A221 WeakPolarHBondContact O-CA 3.35Å
196	R	93.9	Very high	95.6	Very high	52 Å²	52	34.9 Å²	34.9	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	124.7	-176.7	-173.3	-161.2	65.5	172.2	4.2	112.2	R143 A171 N172 A193 S198 G220	R143-R196 VanDerWaalsContact NH2-NH1 3.13Å; A171-R196 CarbonylContact C-O 3.59Å; A171-R196 VanDerWaalsContact CA-O 3.23Å; A171-R196 WeakPolarHBondContact CA-O 3.5Å; A171-R196 HydrophobicContact CB-CB 4.14Å; A171-R196 WeakPolarHBondContact CB-O 3.48Å; N172-R196 PolarHBondContact N-O 2.94Å; A193-R196 HydrophobicContact CB-CB 4.16Å; A193-R196 WeakPolarHBondContact O-CB 3.4Å; A193-R196 PolarHBondContact O-N 2.83Å; A193-R196 VanDerWaalsContact O-N 3.1Å; R196-S198 PolarHBondContact O-N 2.85Å; R196-G220 CarbonylContact C-O 3.55Å; R196-G220 VanDerWaalsContact CA-O 3.26Å; R196-G220 WeakPolarHBondContact CA-O 3.48Å
197	G	93.9	Very high	95.3	Very high	34 Å²	34	35.7 Å²	35.7	35%	0.351	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	8.3	179.4	0	0	0	0	0	114.1	F195 G220	F195-G197 PolarHBondContact O-N 3.01Å; G197-G220 PolarHBondContact N-O 2.98Å
198	S	95.6	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.			trans	-92.2	156.3	-176.5	-58.1	0	0	0	0	112.7	F170 N172 V173 F195 R196 A222 S223	F170-S198 PolarHBondContact O-OG 3.48Å; N172-S198 PolarHBondContact N-OG 3Å; V173-S198 PolarHBondContact N-OG 3.06Å; V173-S198 CarbonylContact O-C 3.36Å; V173-S198 WeakPolarHBondContact O-CA 3.28Å; V173-S198 WeakPolarHBondContact O-CB 3.47Å; F195-S198 WeakPolarHBondContact O-CB 3.32Å; F195-S198 PolarHBondContact O-N 3.13Å; F195-S198 PolarHBondContact O-OG 3.32Å; R196-S198 PolarHBondContact O-N 2.85Å; S198-A222 WeakPolarHBondContact O-CB 3.24Å; S198-A222 PolarHBondContact O-N 2.69Å; S198-S223 PolarHBondContact O-N 3.19Å
199	K	95.2	Very high	95.2	Very high	118 Å²	118	35.2 Å²	35.2	51%	0.513	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.5	172.5	-57.1	-180	-179.8	178.9	0	110.7	V173 Q174 I176 A222 S223	V173-K199 PolarHBondContact O-N 3.45Å; Q174-K199 WeakPolarHBondContact O-CB 3.36Å; I176-K199 PolarHBondContact N-O 3.03Å; K199-A222 HydrophobicContact CG-CB 4.03Å; K199-S223 VanDerWaalsContact CA-O 3.31Å; K199-S223 WeakPolarHBondContact CA-O 3.28Å
200	F	95.6	Very high	95.2	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.8	175.9	57.4	-88.8	0	0	0	112.2	I176 I179 F195 L203 A221 S223 F224 G225 I227	I176-F200 HydrophobicContact CB-CB 4.42Å; I176-F200 CarbonylContact O-C 3.54Å; I176-F200 WeakPolarHBondContact O-CA 3.3Å; I176-F200 VanDerWaalsContact O-CB 3.32Å; I176-F200 WeakPolarHBondContact O-CB 3.35Å; I179-F200 HydrophobicContact CD1-CB 4.13Å; I179-F200 HydrophobicContact CD1-CD1 4.39Å; I179-F200 HydrophobicContact CD1-CG 4.1Å; F195-F200 HydrophobicContact CB-CE1 3.77Å; F195-F200 HydrophobicContact CD1-CD1 4.26Å; F195-F200 AromaticContact CD1-CE1 3.94Å; F195-F200 HydrophobicContact CD1-CE1 3.94Å; F195-F200 HydrophobicContact CD2-CE1 4.42Å; F195-F200 AromaticContact CG-CE1 3.78Å; F195-F200 HydrophobicContact CG-CE1 3.78Å; F195-F200 HydrophobicContact CG-CZ 4.32Å; F200-L203 HydrophobicContact CD2-CB 4.12Å; F200-L203 HydrophobicContact CE2-CB 3.59Å; F200-L203 HydrophobicContact CZ-CB 4.36Å; F200-A221 HydrophobicContact CE1-CB 4.2Å; F200-S223 PolarHBondContact N-O 3.01Å; F200-F224 HydrophobicContact CD1-CB 4.5Å; F200-F224 HydrophobicContact CD2-CB 3.93Å; F200-F224 HydrophobicContact CE1-CB 4.09Å; F200-F224 HydrophobicContact CE2-CB 3.47Å; F200-F224 VanDerWaalsContact CE2-CB 3.47Å; F200-F224 HydrophobicContact CE2-CG 4.22Å; F200-F224 HydrophobicContact CG-CB 4.42Å; F200-F224 HydrophobicContact CZ-CB 3.57Å; F200-F224 HydrophobicContact CZ-CD1 4.36Å; F200-F224 HydrophobicContact CZ-CG 4.11Å; F200-F224 WeakPolarHBondContact O-CA 3.42Å; F200-G225 PolarHBondContact O-N 2.87Å; F200-I227 HydrophobicContact CE2-CG1 4.07Å; F200-I227 HydrophobicContact CZ-CD1 4.23Å; F200-I227 HydrophobicContact CZ-CG1 4.26Å
201	D	95.4	Very high	95.3	Very high	112 Å²	112	31 Å²	31	60%	0.599	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	-49.5	-179	-59.4	-32.8	0	0	0	111.1	I176 G177 G225 T226	I176-D201 PolarHBondContact O-N 3.05Å; I176-D201 VanDerWaalsContact O-N 3.13Å; G177-D201 WeakPolarHBondContact O-CA 3.38Å; G177-D201 VanDerWaalsContact O-CB 3.29Å; G177-D201 WeakPolarHBondContact O-CB 3.41Å; G177-D201 PolarHBondContact O-N 3.04Å; G177-D201 VanDerWaalsContact O-N 3.1Å; D201-G225 CarbonylContact O-C 3.58Å; D201-G225 WeakPolarHBondContact O-CA 3.2Å; D201-G225 PolarHBondContact O-N 2.74Å; D201-T226 PolarHBondContact O-N 2.8Å
202	K	96.7	Very high	95.4	Very high	65 Å²	65	32.1 Å²	32.1	28%	0.283	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132	-175	-169.5	170.1	-177.2	168.8	0	112.9	G177 N178 I179 V204 T226	G177-K202 PolarHBondContact O-N 3.33Å; N178-K202 CarbonylContact C-O 3.57Å; N178-K202 WeakPolarHBondContact CA-O 3.38Å; N178-K202 WeakPolarHBondContact OD1-CB 3.37Å; I179-K202 PolarHBondContact N-O 3.47Å; K202-V204 HydrophobicContact CD-CG2 4.12Å; K202-V204 HydrophobicContact CG-CG2 3.98Å; K202-T226 CarbonylContact C-O 3.49Å; K202-T226 VanDerWaalsContact CA-O 3.3Å; K202-T226 WeakPolarHBondContact CA-O 3.46Å
203	L	97.3	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.6	166.2	169.8	63.6	0	0	0	108.9	I179 F195 F200 I205 L218 T226 I227 Q228	I179-L203 HydrophobicContact CB-CD1 3.78Å; I179-L203 HydrophobicContact CG2-CD1 3.63Å; I179-L203 CarbonylContact O-C 3.59Å; I179-L203 VanDerWaalsContact O-CA 3.32Å; I179-L203 WeakPolarHBondContact O-CA 3.32Å; F195-L203 HydrophobicContact CD2-CD2 4.31Å; F195-L203 HydrophobicContact CE2-CD2 3.5Å; F195-L203 HydrophobicContact CZ-CD1 4.1Å; F195-L203 HydrophobicContact CZ-CD2 3.79Å; F200-L203 HydrophobicContact CD2-CB 4.12Å; F200-L203 HydrophobicContact CE2-CB 3.59Å; F200-L203 HydrophobicContact CZ-CB 4.36Å; L203-I205 HydrophobicContact CD1-CG1 4.1Å; L203-I205 HydrophobicContact CG-CG1 4.32Å; L203-L218 HydrophobicContact CD2-CD2 4.06Å; L203-T226 PolarHBondContact N-O 3Å; L203-I227 HydrophobicContact CB-CG1 4.21Å; L203-I227 HydrophobicContact CB-CG2 4.46Å; L203-I227 HydrophobicContact CD2-CG1 4.31Å; L203-I227 HydrophobicContact CD2-CG2 3.97Å; L203-I227 HydrophobicContact CG-CG2 4.29Å; L203-I227 CarbonylContact O-C 3.56Å; L203-I227 WeakPolarHBondContact O-CA 3.42Å; L203-Q228 PolarHBondContact O-N 3.11Å
204	V	96.3	Very high	95.6	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.7	171.6	-174.1	0	0	0	0	109.9	I179 F180 I181 K202 E206 Q228 F230	I179-V204 PolarHBondContact O-N 2.99Å; F180-V204 CarbonylContact C-O 3.55Å; F180-V204 WeakPolarHBondContact CA-O 3.32Å; F180-V204 HydrophobicContact CD1-CB 3.67Å; F180-V204 HydrophobicContact CD1-CG1 4.49Å; F180-V204 HydrophobicContact CD1-CG2 3.82Å; F180-V204 HydrophobicContact CE1-CB 3.91Å; F180-V204 HydrophobicContact CE1-CG2 3.5Å; F180-V204 VanDerWaalsContact CE1-CG2 3.5Å; I181-V204 PolarHBondContact N-O 3.1Å; K202-V204 HydrophobicContact CD-CG2 4.12Å; K202-V204 HydrophobicContact CG-CG2 3.98Å; V204-E206 HydrophobicContact CG1-CB 4.41Å; V204-Q228 CarbonylContact C-O 3.59Å; V204-Q228 VanDerWaalsContact CA-O 3.27Å; V204-Q228 WeakPolarHBondContact CA-O 3.34Å; V204-Q228 HydrophobicContact CG1-CB 4.36Å; V204-Q228 HydrophobicContact CG2-CB 4.2Å; V204-F230 HydrophobicContact CG1-CD2 3.79Å; V204-F230 HydrophobicContact CG1-CE2 4.03Å
205	I	96.8	Very high	95.4	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.046	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.4	170	-47.9	-175.9	0	0	0	107.6	I181 L203 A208 Q228 L229 F230 L232	I181-I205 HydrophobicContact CB-CG1 4.34Å; I181-I205 HydrophobicContact CB-CG2 4.24Å; I181-I205 HydrophobicContact CD1-CD1 4.37Å; I181-I205 HydrophobicContact CD1-CG1 4.28Å; I181-I205 HydrophobicContact CG2-CG2 4.19Å; I181-I205 CarbonylContact O-C 3.59Å; I181-I205 VanDerWaalsContact O-CA 3.28Å; I181-I205 WeakPolarHBondContact O-CA 3.32Å; L203-I205 HydrophobicContact CD1-CG1 4.1Å; L203-I205 HydrophobicContact CG-CG1 4.32Å; I205-A208 HydrophobicContact CG2-CB 4.23Å; I205-Q228 PolarHBondContact N-O 3.41Å; I205-L229 HydrophobicContact CB-CD2 3.73Å; I205-L229 HydrophobicContact CD1-CD2 3.83Å; I205-L229 HydrophobicContact CG1-CD2 3.81Å; I205-L229 CarbonylContact O-C 3.58Å; I205-L229 WeakPolarHBondContact O-CA 3.33Å; I205-F230 PolarHBondContact O-N 3.13Å; I205-L232 HydrophobicContact CB-CD1 4.14Å; I205-L232 HydrophobicContact CG2-CD1 3.95Å; I205-L232 HydrophobicContact CG2-CD2 3.97Å
206	E	93.1	Very high	95.2	Very high	33 Å²	33	33.6 Å²	33.6	15%	0.154	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.7	-172.5	-179.7	173.4	156.6	0	0	113.1	I181 R182 S183 V204 A208 F230	I181-E206 PolarHBondContact O-N 3.2Å; R182-E206 WeakPolarHBondContact CA-O 3.22Å; R182-E206 HydrophobicContact CB-CB 4.29Å; R182-E206 HydrophobicContact CG-CB 3.96Å; R182-E206 IonicContact CZ-OE1 2.78Å; R182-E206 IonicContact CZ-OE2 2.76Å; R182-E206 IonicContact NE-OE1 3.8Å; R182-E206 IonicContact NE-OE2 3.8Å; R182-E206 PolarHBondContact NE-OE2 2.93Å; R182-E206 IonicContact NH2-OE1 2.69Å; R182-E206 PolarHBondContact NH2-OE1 3.09Å; R182-E206 VanDerWaalsContact NH2-OE1 3.08Å; R182-E206 IonicContact NH2-OE2 3.55Å; R182-E206 PolarHBondContact NH2-OE2 3.44Å; S183-E206 PolarHBondContact N-O 3.28Å; V204-E206 HydrophobicContact CG1-CB 4.41Å; E206-A208 PolarHBondContact O-N 2.78Å; E206-F230 VanDerWaalsContact CA-O 3.25Å; E206-F230 WeakPolarHBondContact CA-O 3.3Å; E206-F230 HydrophobicContact CB-CB 3.96Å; E206-F230 HydrophobicContact CG-CB 3.71Å
207	D	91.4	Very high	95.1	Very high	64 Å²	64	31.1 Å²	31.1	34%	0.342	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.8	54.9	178	-56.8	-33.2	0	0	0	111.2	K184 V185 F230 N231	K184-D207 PolarHBondContact N-O 3.5Å; V185-D207 PolarHBondContact N-O 3.43Å; V185-D207 VanDerWaalsContact N-O 3.09Å; D207-F230 PolarHBondContact N-O 2.88Å; D207-F230 VanDerWaalsContact N-O 3.09Å; D207-N231 WeakPolarHBondContact OD1-CB 3.32Å; D207-N231 PolarHBondContact OD1-ND2 3.44Å
208	A	95.8	Very high	95.1	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.2	-177	0	0	0	0	0	114.2	V185 I205 E206 L232 R233	V185-A208 HydrophobicContact CB-CB 3.67Å; V185-A208 HydrophobicContact CG1-CB 3.97Å; V185-A208 CarbonylContact O-C 3.58Å; V185-A208 WeakPolarHBondContact O-CA 3.31Å; V185-A208 WeakPolarHBondContact O-CB 3.39Å; I205-A208 HydrophobicContact CG2-CB 4.23Å; E206-A208 PolarHBondContact O-N 2.78Å; A208-L232 HydrophobicContact CB-CD2 3.59Å; A208-L232 WeakPolarHBondContact O-CA 3.32Å; A208-R233 PolarHBondContact O-N 3.01Å
209	T	97.8	Very high	94.7	Very high	63 Å²	63	29.9 Å²	29.9	39%	0.387	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.3	169.1	53.9	0	0	0	0	109.5	V185 N186 V187 R233	V185-T209 PolarHBondContact O-N 3.25Å; N186-T209 CarbonylContact C-O 3.37Å; N186-T209 WeakPolarHBondContact CA-O 3.5Å; N186-T209 PolarHBondContact OD1-O 2.89Å; N186-T209 PolarHBondContact OD1-OG1 2.91Å; V187-T209 PolarHBondContact N-O 2.95Å; T209-R233 WeakPolarHBondContact CA-O 3.1Å; T209-R233 HydrophobicContact CG2-CB 4.39Å
210	V	97.8	Very high	94.5	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.6	175.9	-171.8	0	0	0	0	108.5	V187 M190 M213 R233 I234 L235	V187-V210 HydrophobicContact CB-CG1 4.18Å; V187-V210 HydrophobicContact CB-CG2 4.22Å; V187-V210 HydrophobicContact CG1-CG1 4.4Å; V187-V210 HydrophobicContact CG2-CG2 4.45Å; V187-V210 CarbonylContact O-C 3.52Å; V187-V210 VanDerWaalsContact O-CA 3.29Å; V187-V210 WeakPolarHBondContact O-CA 3.49Å; M190-V210 HydrophobicContact CB-CG1 4.24Å; M190-V210 HydrophobicContact CE-CG2 4.34Å; V210-M213 HydrophobicContact CG1-CB 3.83Å; V210-M213 HydrophobicContact CG1-CG 4.49Å; V210-R233 PolarHBondContact N-O 3.04Å; V210-I234 HydrophobicContact CB-CG1 4.2Å; V210-I234 HydrophobicContact CG2-CG1 4.43Å; V210-I234 CarbonylContact O-C 3.6Å; V210-I234 WeakPolarHBondContact O-CA 3.48Å; V210-L235 PolarHBondContact O-N 2.73Å
211	T	98	Very high	94.4	Very high	62 Å²	62	24.2 Å²	24.2	38%	0.38	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-44.4	-177.8	-57.5	0	0	0	0	111.1	V187 Q188 L235 S236	V187-T211 PolarHBondContact O-N 2.87Å; Q188-T211 WeakPolarHBondContact O-CB 3.23Å; T211-L235 HydrophobicContact CG2-CD1 4.41Å; T211-S236 PolarHBondContact O-N 3.14Å
212	S	96.9	Very high	94.3	Very high	37 Å²	37	19.7 Å²	19.7	26%	0.259	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.7	174	-174.6	0	0	0	0	110.8	Q188 R189 M190 S236	Q188-S212 PolarHBondContact O-N 2.82Å; R189-S212 WeakPolarHBondContact CA-O 3.39Å; M190-S212 PolarHBondContact N-O 3.37Å; S212-S236 WeakPolarHBondContact CA-O 3.41Å
213	M	95.6	Very high	94.2	Very high	20 Å²	20	18.5 Å²	18.5	10%	0.099	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.5	178.4	-170	171.1	172.1	0	0	110.2	M190 V210 L218 I234 S236 T237 S238	M190-M213 HydrophobicContact CB-CG 4.28Å; M190-M213 HydrophobicContact CG-CG 4.47Å; M190-M213 HydrophobicContact SD-CE 3.95Å; M190-M213 HydrophobicContact SD-CG 4.06Å; M190-M213 HydrophobicContact SD-SD 4.17Å; V210-M213 HydrophobicContact CG1-CB 3.83Å; V210-M213 HydrophobicContact CG1-CG 4.49Å; M213-L218 HydrophobicContact CE-CG 4.32Å; M213-I234 HydrophobicContact CB-CG2 3.83Å; M213-I234 HydrophobicContact SD-CD1 3.61Å; M213-I234 HydrophobicContact SD-CG1 4.14Å; M213-I234 HydrophobicContact SD-CG2 4.48Å; M213-S236 PolarHBondContact N-O 2.88Å; M213-T237 CarbonylContact O-C 3.57Å; M213-T237 WeakPolarHBondContact O-CA 3.38Å; M213-S238 PolarHBondContact O-N 2.82Å
214	S	93.4	Very high	94.1	Very high	12 Å²	12	18.8 Å²	18.8	8%	0.084	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.7	166.9	-179.8	0	0	0	0	109.8	M190 Y216 S217	M190-S214 PolarHBondContact O-N 3.1Å; S214-Y216 PolarHBondContact O-N 2.92Å; S214-Y216 PolarHBondContact OG-N 2.83Å; S214-S217 PolarHBondContact N-OG 3.47Å; S214-S217 PolarHBondContact O-N 3.12Å; S214-S217 VanDerWaalsContact O-N 3.14Å; S214-S217 PolarHBondContact O-OG 3.3Å
215	A	91.8	Very high	94	Very high	6 Å²	6	20.2 Å²	20.2	5%	0.05	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.1	171.4	0	0	0	0	0	112.7	T237 S238 F239 H269 I272	A215-T237 HydrophobicContact CB-CG2 3.88Å; A215-S238 WeakPolarHBondContact CB-O 3.43Å; A215-S238 PolarHBondContact N-O 2.75Å; A215-F239 HydrophobicContact CB-CD1 3.79Å; A215-F239 HydrophobicContact CB-CE1 4.08Å; A215-H269 HydrophobicContact CB-CB 4.29Å; A215-I272 WeakPolarHBondContact O-CG2 3.26Å
216	Y	91.3	Very high	94	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.012	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	20.6	-177.2	-51	-79.7	0	0	0	113.1	A193 S214 L218 I219 V241 L249 H269 L293 L294	A193-Y216 PolarHBondContact N-O 3.44Å; S214-Y216 PolarHBondContact O-N 2.92Å; S214-Y216 PolarHBondContact OG-N 2.83Å; Y216-L218 VanDerWaalsContact C-N 3.31Å; Y216-L218 PolarHBondContact O-N 2.99Å; Y216-I219 VanDerWaalsContact O-CG2 3.32Å; Y216-I219 WeakPolarHBondContact O-CG2 3.2Å; Y216-I219 PolarHBondContact O-N 2.93Å; Y216-V241 HydrophobicContact CD2-CG2 3.3Å; Y216-V241 HydrophobicContact CE2-CG2 3.56Å; Y216-V241 HydrophobicContact CG-CG2 4.34Å; Y216-L249 HydrophobicContact CD1-CD2 4.3Å; Y216-L249 HydrophobicContact CD2-CD1 4.48Å; Y216-L249 HydrophobicContact CD2-CD2 4.36Å; Y216-L249 HydrophobicContact CG-CD1 4.39Å; Y216-L249 HydrophobicContact CG-CD2 3.81Å; Y216-H269 AromaticContact CE1-CE1 3.88Å; Y216-H269 AromaticContact CE1-ND1 3.8Å; Y216-L293 HydrophobicContact CE1-CB 4.44Å; Y216-L293 HydrophobicContact CE2-CD1 4.24Å; Y216-L293 WeakPolarHBondContact OH-CB 3.46Å; Y216-L293 VanDerWaalsContact OH-CG 3.28Å; Y216-L293 WeakPolarHBondContact OH-CG 3.14Å; Y216-L293 PolarHBondContact OH-N 3.09Å; Y216-L294 HydrophobicContact CD1-CD1 4.25Å; Y216-L294 HydrophobicContact CE1-CD1 4.48Å
217	S	92.5	Very high	94.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.8	-176.1	-66.9	0	0	0	0	114.2	G191 L194 S214	G191-S217 WeakPolarHBondContact O-CA 3.31Å; G191-S217 WeakPolarHBondContact O-CB 3.26Å; G191-S217 PolarHBondContact O-OG 3.14Å; L194-S217 WeakPolarHBondContact CB-O 3.37Å; L194-S217 WeakPolarHBondContact CG-O 3.46Å; L194-S217 PolarHBondContact N-O 3.23Å; S214-S217 PolarHBondContact N-OG 3.47Å; S214-S217 PolarHBondContact O-N 3.12Å; S214-S217 VanDerWaalsContact O-N 3.14Å; S214-S217 PolarHBondContact O-OG 3.3Å
218	L	92.3	Very high	94.5	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.031	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.6	-172.8	-60.8	177	0	0	0	114.4	F195 L203 M213 Y216 I227 L229	F195-L218 HydrophobicContact CE2-CD2 4.41Å; L203-L218 HydrophobicContact CD2-CD2 4.06Å; M213-L218 HydrophobicContact CE-CG 4.32Å; Y216-L218 VanDerWaalsContact C-N 3.31Å; Y216-L218 PolarHBondContact O-N 2.99Å; L218-I227 HydrophobicContact CD1-CG2 4.16Å; L218-L229 HydrophobicContact CD1-CD1 4.08Å
219	I	88.7	Confident	94.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	12%	0.12	C	C	.	.			trans	-90.5	163.2	-177.8	-155	141.6	0	0	0	113.5	A193 Y216 L249 A250 G271 A274 L294	A193-I219 WeakPolarHBondContact CA-O 3.07Å; A193-I219 HydrophobicContact CB-CG2 4.3Å; Y216-I219 VanDerWaalsContact O-CG2 3.32Å; Y216-I219 WeakPolarHBondContact O-CG2 3.2Å; Y216-I219 PolarHBondContact O-N 2.93Å; I219-L249 HydrophobicContact CG2-CD2 4.05Å; I219-A250 WeakPolarHBondContact CG1-O 3.19Å; I219-G271 VanDerWaalsContact CD1-O 3.26Å; I219-G271 WeakPolarHBondContact CD1-O 3.3Å; I219-A274 HydrophobicContact CD1-CB 4.36Å; I219-L294 HydrophobicContact CD1-CD1 3.22Å; I219-L294 HydrophobicContact CG1-CD1 4.15Å
220	G	89.8	Confident	94.3	Very high	4 Å²	4	17.6 Å²	17.6	4%	0.041	11%	0.112	C	C	.	.			trans	87.7	5.6	167.7	0	0	0	0	0	115.2	R196 G197 A250	R196-G220 CarbonylContact C-O 3.55Å; R196-G220 VanDerWaalsContact CA-O 3.26Å; R196-G220 WeakPolarHBondContact CA-O 3.48Å; G197-G220 PolarHBondContact N-O 2.98Å; G220-A250 WeakPolarHBondContact CA-O 3.42Å; G220-A250 PolarHBondContact N-O 2.84Å
221	A	93.4	Very high	94	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	13%	0.129	C	C	.	.			trans	-61.5	140.8	172.9	0	0	0	0	0	111.2	F195 F200 F224 T252 I253	F195-A221 HydrophobicContact CB-CB 4.42Å; F195-A221 WeakPolarHBondContact O-CA 3.35Å; F200-A221 HydrophobicContact CE1-CB 4.2Å; A221-F224 HydrophobicContact CB-CD1 3.83Å; A221-F224 HydrophobicContact CB-CE1 4.45Å; A221-T252 HydrophobicContact CB-CG2 4.39Å; A221-T252 VanDerWaalsContact O-CA 3.28Å; A221-T252 WeakPolarHBondContact O-CA 2.92Å; A221-T252 WeakPolarHBondContact O-CG2 3.44Å; A221-I253 PolarHBondContact O-N 2.82Å; A221-I253 VanDerWaalsContact O-N 3.1Å
222	A	94.2	Very high	93.9	Very high	18 Å²	18	18.1 Å²	18.1	15%	0.149	11%	0.113	C	C	.	.	S	Bend	trans	-71.9	-39	174.2	0	0	0	0	0	110.9	S198 K199 I253 K254	S198-A222 WeakPolarHBondContact O-CB 3.24Å; S198-A222 PolarHBondContact O-N 2.69Å; K199-A222 HydrophobicContact CG-CB 4.03Å; A222-I253 HydrophobicContact CB-CD1 4.41Å; A222-I253 WeakPolarHBondContact O-CB 3.34Å; A222-K254 PolarHBondContact O-N 3.5Å
223	S	94.2	Very high	93.9	Very high	40 Å²	40	22.5 Å²	22.5	28%	0.28	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	141.8	172.1	-171.2	0	0	0	0	110.7	S198 K199 F200 K254	S198-S223 PolarHBondContact O-N 3.19Å; K199-S223 VanDerWaalsContact CA-O 3.31Å; K199-S223 WeakPolarHBondContact CA-O 3.28Å; F200-S223 PolarHBondContact N-O 3.01Å; S223-K254 VanDerWaalsContact CA-O 3.23Å; S223-K254 WeakPolarHBondContact CA-O 3.35Å
224	F	95	Very high	94	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.2	164.2	65.4	-97.1	0	0	0	113.8	F200 A221 I227 T252 K254 G255 G256 I258 V276	F200-F224 HydrophobicContact CD1-CB 4.5Å; F200-F224 HydrophobicContact CD2-CB 3.93Å; F200-F224 HydrophobicContact CE1-CB 4.09Å; F200-F224 HydrophobicContact CE2-CB 3.47Å; F200-F224 VanDerWaalsContact CE2-CB 3.47Å; F200-F224 HydrophobicContact CE2-CG 4.22Å; F200-F224 HydrophobicContact CG-CB 4.42Å; F200-F224 HydrophobicContact CZ-CB 3.57Å; F200-F224 HydrophobicContact CZ-CD1 4.36Å; F200-F224 HydrophobicContact CZ-CG 4.11Å; F200-F224 WeakPolarHBondContact O-CA 3.42Å; A221-F224 HydrophobicContact CB-CD1 3.83Å; A221-F224 HydrophobicContact CB-CE1 4.45Å; F224-I227 HydrophobicContact CD1-CD1 4.19Å; F224-I227 HydrophobicContact CD2-CD1 4.11Å; F224-I227 HydrophobicContact CD2-CG1 3.87Å; F224-I227 HydrophobicContact CE1-CD1 4.01Å; F224-I227 HydrophobicContact CE2-CD1 3.98Å; F224-I227 HydrophobicContact CE2-CG1 3.99Å; F224-I227 HydrophobicContact CG-CD1 4.23Å; F224-I227 HydrophobicContact CG-CG1 4.27Å; F224-I227 HydrophobicContact CZ-CD1 3.91Å; F224-I227 HydrophobicContact CZ-CG1 4.44Å; F224-T252 HydrophobicContact CD1-CG2 3.97Å; F224-T252 HydrophobicContact CE1-CG2 3.51Å; F224-T252 HydrophobicContact CZ-CG2 4.46Å; F224-K254 PolarHBondContact N-O 2.93Å; F224-K254 VanDerWaalsContact N-O 3.08Å; F224-G255 VanDerWaalsContact CZ-CA 3.46Å; F224-G256 PolarHBondContact O-N 2.88Å; F224-I258 HydrophobicContact CE2-CD1 4.43Å; F224-I258 HydrophobicContact CE2-CG1 3.87Å; F224-I258 HydrophobicContact CZ-CD1 3.88Å; F224-I258 HydrophobicContact CZ-CG1 3.82Å; F224-V276 HydrophobicContact CZ-CG2 3.95Å
225	G	95	Very high	94.1	Very high	32 Å²	32	25.5 Å²	25.5	33%	0.33	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-60.9	173	0	0	0	0	0	112.3	F200 D201 G256 K257	F200-G225 PolarHBondContact O-N 2.87Å; D201-G225 CarbonylContact O-C 3.58Å; D201-G225 WeakPolarHBondContact O-CA 3.2Å; D201-G225 PolarHBondContact O-N 2.74Å; G225-G256 CarbonylContact O-C 3.55Å; G225-G256 VanDerWaalsContact O-CA 3.29Å; G225-G256 WeakPolarHBondContact O-CA 3.43Å; G225-K257 PolarHBondContact O-N 2.92Å
226	T	96.3	Very high	94.4	Very high	34 Å²	34	27.4 Å²	27.4	21%	0.209	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.3	-176.4	-55.4	0	0	0	0	112.6	D201 K202 L203 Q228 K257	D201-T226 PolarHBondContact O-N 2.8Å; K202-T226 CarbonylContact C-O 3.49Å; K202-T226 VanDerWaalsContact CA-O 3.3Å; K202-T226 WeakPolarHBondContact CA-O 3.46Å; L203-T226 PolarHBondContact N-O 3Å; T226-Q228 HydrophobicContact CG2-CG 3.81Å; T226-K257 CarbonylContact C-O 3.57Å; T226-K257 VanDerWaalsContact CA-O 3.32Å; T226-K257 WeakPolarHBondContact CA-O 3.27Å; T226-K257 HydrophobicContact CG2-CB 4.35Å
227	I	97.2	Very high	94.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124	166.5	-59	175.5	0	0	0	108.1	F200 L203 L218 F224 L229 K257 I258 E259	F200-I227 HydrophobicContact CE2-CG1 4.07Å; F200-I227 HydrophobicContact CZ-CD1 4.23Å; F200-I227 HydrophobicContact CZ-CG1 4.26Å; L203-I227 HydrophobicContact CB-CG1 4.21Å; L203-I227 HydrophobicContact CB-CG2 4.46Å; L203-I227 HydrophobicContact CD2-CG1 4.31Å; L203-I227 HydrophobicContact CD2-CG2 3.97Å; L203-I227 HydrophobicContact CG-CG2 4.29Å; L203-I227 CarbonylContact O-C 3.56Å; L203-I227 WeakPolarHBondContact O-CA 3.42Å; L218-I227 HydrophobicContact CD1-CG2 4.16Å; F224-I227 HydrophobicContact CD1-CD1 4.19Å; F224-I227 HydrophobicContact CD2-CD1 4.11Å; F224-I227 HydrophobicContact CD2-CG1 3.87Å; F224-I227 HydrophobicContact CE1-CD1 4.01Å; F224-I227 HydrophobicContact CE2-CD1 3.98Å; F224-I227 HydrophobicContact CE2-CG1 3.99Å; F224-I227 HydrophobicContact CG-CD1 4.23Å; F224-I227 HydrophobicContact CG-CG1 4.27Å; F224-I227 HydrophobicContact CZ-CD1 3.91Å; F224-I227 HydrophobicContact CZ-CG1 4.44Å; I227-L229 HydrophobicContact CG2-CD2 4.22Å; I227-K257 PolarHBondContact N-O 2.8Å; I227-I258 HydrophobicContact CB-CG1 4.21Å; I227-I258 HydrophobicContact CB-CG2 4.26Å; I227-I258 HydrophobicContact CD1-CD1 4.27Å; I227-I258 HydrophobicContact CD1-CG1 4.32Å; I227-I258 HydrophobicContact CG2-CG2 4.39Å; I227-I258 CarbonylContact O-C 3.35Å; I227-I258 WeakPolarHBondContact O-CA 3.31Å; I227-E259 PolarHBondContact O-N 3.12Å
228	Q	96.7	Very high	94.5	Very high	28 Å²	28	29.4 Å²	29.4	13%	0.131	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.6	-179.9	-84.2	171.3	-10.9	0	0	110.7	L203 V204 I205 T226 F230 E259 Y261	L203-Q228 PolarHBondContact O-N 3.11Å; V204-Q228 CarbonylContact C-O 3.59Å; V204-Q228 VanDerWaalsContact CA-O 3.27Å; V204-Q228 WeakPolarHBondContact CA-O 3.34Å; V204-Q228 HydrophobicContact CG1-CB 4.36Å; V204-Q228 HydrophobicContact CG2-CB 4.2Å; I205-Q228 PolarHBondContact N-O 3.41Å; T226-Q228 HydrophobicContact CG2-CG 3.81Å; Q228-F230 HydrophobicContact CB-CD2 4.08Å; Q228-F230 HydrophobicContact CB-CE2 3.49Å; Q228-F230 VanDerWaalsContact CB-CE2 3.49Å; Q228-F230 HydrophobicContact CB-CZ 4.22Å; Q228-F230 HydrophobicContact CG-CE2 3.95Å; Q228-F230 HydrophobicContact CG-CZ 4.21Å; Q228-E259 CarbonylContact C-O 3.47Å; Q228-E259 WeakPolarHBondContact CA-O 3.49Å; Q228-E259 HydrophobicContact CG-CB 4.1Å; Q228-E259 VanDerWaalsContact CG-OE2 3.32Å; Q228-E259 WeakPolarHBondContact CG-OE2 3.44Å; Q228-E259 PolarHBondContact NE2-OE2 2.97Å; Q228-Y261 HydrophobicContact CG-CE2 4.38Å
229	L	96.6	Very high	94.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.2	177.2	-55.6	-173.9	0	0	0	108.9	I205 L218 I227 L232 E259 F260 Y261 V263	I205-L229 HydrophobicContact CB-CD2 3.73Å; I205-L229 HydrophobicContact CD1-CD2 3.83Å; I205-L229 HydrophobicContact CG1-CD2 3.81Å; I205-L229 CarbonylContact O-C 3.58Å; I205-L229 WeakPolarHBondContact O-CA 3.33Å; L218-L229 HydrophobicContact CD1-CD1 4.08Å; I227-L229 HydrophobicContact CG2-CD2 4.22Å; L229-L232 HydrophobicContact CB-CD1 3.7Å; L229-L232 HydrophobicContact CB-CG 4.29Å; L229-L232 HydrophobicContact CD1-CD1 4.21Å; L229-L232 HydrophobicContact CD2-CD1 3.95Å; L229-L232 HydrophobicContact CG-CD1 4.16Å; L229-E259 PolarHBondContact N-O 3.19Å; L229-F260 HydrophobicContact CB-CD1 4.39Å; L229-F260 HydrophobicContact CD1-CD1 3.8Å; L229-F260 HydrophobicContact CD1-CE1 3.45Å; L229-F260 VanDerWaalsContact CD1-CE1 3.45Å; L229-F260 HydrophobicContact CD1-CE2 4.45Å; L229-F260 HydrophobicContact CD1-CG 4.42Å; L229-F260 HydrophobicContact CD1-CZ 3.79Å; L229-F260 CarbonylContact O-C 3.49Å; L229-Y261 PolarHBondContact O-N 3.34Å; L229-V263 HydrophobicContact CB-CG2 4.05Å
230	F	92.8	Very high	93.8	Very high	52 Å²	52	39.1 Å²	39.1	23%	0.228	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.5	-177.4	-68.9	-83.7	0	0	0	111.2	V204 I205 E206 D207 Q228 L232 Y261	V204-F230 HydrophobicContact CG1-CD2 3.79Å; V204-F230 HydrophobicContact CG1-CE2 4.03Å; I205-F230 PolarHBondContact O-N 3.13Å; E206-F230 VanDerWaalsContact CA-O 3.25Å; E206-F230 WeakPolarHBondContact CA-O 3.3Å; E206-F230 HydrophobicContact CB-CB 3.96Å; E206-F230 HydrophobicContact CG-CB 3.71Å; D207-F230 PolarHBondContact N-O 2.88Å; D207-F230 VanDerWaalsContact N-O 3.09Å; Q228-F230 HydrophobicContact CB-CD2 4.08Å; Q228-F230 HydrophobicContact CB-CE2 3.49Å; Q228-F230 VanDerWaalsContact CB-CE2 3.49Å; Q228-F230 HydrophobicContact CB-CZ 4.22Å; Q228-F230 HydrophobicContact CG-CE2 3.95Å; Q228-F230 HydrophobicContact CG-CZ 4.21Å; F230-L232 VanDerWaalsContact C-N 3.3Å; F230-L232 VanDerWaalsContact O-CD2 3.26Å; F230-L232 WeakPolarHBondContact O-CD2 3.29Å; F230-L232 PolarHBondContact O-N 3.19Å; F230-Y261 CarbonylContact C-O 3.56Å; F230-Y261 WeakPolarHBondContact CA-O 3.45Å; F230-Y261 VanDerWaalsContact CD1-CB 3.41Å; F230-Y261 AromaticContact CD1-CD2 3.57Å; F230-Y261 HydrophobicContact CD1-CD2 3.57Å; F230-Y261 AromaticContact CD1-CG 3.68Å; F230-Y261 HydrophobicContact CD1-CG 3.68Å; F230-Y261 HydrophobicContact CE1-CD1 4.19Å; F230-Y261 AromaticContact CE1-CD2 3.07Å; F230-Y261 HydrophobicContact CE1-CD2 3.07Å; F230-Y261 AromaticContact CE1-CE2 3.61Å; F230-Y261 HydrophobicContact CE1-CE2 3.61Å; F230-Y261 AromaticContact CE1-CG 3.4Å; F230-Y261 HydrophobicContact CE1-CG 3.4Å; F230-Y261 VanDerWaalsContact CE1-CG 3.4Å; F230-Y261 HydrophobicContact CE2-CD2 4.27Å; F230-Y261 HydrophobicContact CG-CD2 4.3Å; F230-Y261 AromaticContact CZ-CD2 3.47Å; F230-Y261 HydrophobicContact CZ-CD2 3.47Å; F230-Y261 VanDerWaalsContact CZ-CD2 3.47Å; F230-Y261 AromaticContact CZ-CE2 3.63Å; F230-Y261 HydrophobicContact CZ-CE2 3.63Å; F230-Y261 HydrophobicContact CZ-CG 4.26Å
231	N	91.8	Very high	93.5	Very high	69 Å²	69	39.8 Å²	39.8	37%	0.369	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51	48.2	171.7	-57	-33.8	0	0	0	112.9	D207 Y261 N262	D207-N231 WeakPolarHBondContact OD1-CB 3.32Å; D207-N231 PolarHBondContact OD1-ND2 3.44Å; N231-Y261 PolarHBondContact N-O 2.98Å; N231-N262 WeakPolarHBondContact CA-O 3.34Å; N231-N262 PolarHBondContact OD1-ND2 3.37Å
232	L	96.1	Very high	93	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.6	-178.7	-57.7	-166.7	0	0	0	111.6	I205 A208 L229 F230 N262 V263 I264	I205-L232 HydrophobicContact CB-CD1 4.14Å; I205-L232 HydrophobicContact CG2-CD1 3.95Å; I205-L232 HydrophobicContact CG2-CD2 3.97Å; A208-L232 HydrophobicContact CB-CD2 3.59Å; A208-L232 WeakPolarHBondContact O-CA 3.32Å; L229-L232 HydrophobicContact CB-CD1 3.7Å; L229-L232 HydrophobicContact CB-CG 4.29Å; L229-L232 HydrophobicContact CD1-CD1 4.21Å; L229-L232 HydrophobicContact CD2-CD1 3.95Å; L229-L232 HydrophobicContact CG-CD1 4.16Å; F230-L232 VanDerWaalsContact C-N 3.3Å; F230-L232 VanDerWaalsContact O-CD2 3.26Å; F230-L232 WeakPolarHBondContact O-CD2 3.29Å; F230-L232 PolarHBondContact O-N 3.19Å; L232-N262 PolarHBondContact N-O 3.48Å; L232-V263 HydrophobicContact CB-CG1 4.14Å; L232-V263 HydrophobicContact CB-CG2 4.04Å; L232-V263 HydrophobicContact CG-CG2 4.38Å; L232-V263 CarbonylContact O-C 3.56Å; L232-V263 WeakPolarHBondContact O-CA 3.31Å; L232-I264 PolarHBondContact O-N 3.11Å
233	R	96.6	Very high	92.4	Very high	130 Å²	130	47 Å²	47	49%	0.491	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	106.2	169.5	-172.2	179	175.7	88.1	1.2	109.6	A208 T209 V210 L235	A208-R233 PolarHBondContact O-N 3.01Å; T209-R233 WeakPolarHBondContact CA-O 3.1Å; T209-R233 HydrophobicContact CG2-CB 4.39Å; V210-R233 PolarHBondContact N-O 3.04Å; R233-L235 HydrophobicContact CG-CD2 3.89Å
234	I	97.2	Very high	91.9	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.6	177.4	-60.7	162.1	0	0	0	107.4	V210 M213 V263 I264 M265	V210-I234 HydrophobicContact CB-CG1 4.2Å; V210-I234 HydrophobicContact CG2-CG1 4.43Å; V210-I234 CarbonylContact O-C 3.6Å; V210-I234 WeakPolarHBondContact O-CA 3.48Å; M213-I234 HydrophobicContact CB-CG2 3.83Å; M213-I234 HydrophobicContact SD-CD1 3.61Å; M213-I234 HydrophobicContact SD-CG1 4.14Å; M213-I234 HydrophobicContact SD-CG2 4.48Å; I234-V263 HydrophobicContact CD1-CG1 4.25Å; I234-I264 PolarHBondContact N-O 3.16Å; I234-M265 HydrophobicContact CB-CB 3.97Å; I234-M265 HydrophobicContact CD1-CB 4.38Å; I234-M265 HydrophobicContact CD1-CE 3.62Å
235	L	97.3	Very high	91.4	Very high	89 Å²	89	52.7 Å²	52.7	47%	0.466	29%	0.289	S	S	.	.			trans	-75.5	-32.7	-172.8	-58.5	-177.5	0	0	0	112.8	V210 T211 R233	V210-L235 PolarHBondContact O-N 2.73Å; T211-L235 HydrophobicContact CG2-CD1 4.41Å; R233-L235 HydrophobicContact CG-CD2 3.89Å
236	S	96.8	Very high	90.9	Very high	47 Å²	47	54.4 Å²	54.4	33%	0.329	29%	0.293	S	S	.	.			trans	-150.1	130.7	178.9	-175.3	0	0	0	0	111.6	T211 S212 M213	T211-S236 PolarHBondContact O-N 3.14Å; S212-S236 WeakPolarHBondContact CA-O 3.41Å; M213-S236 PolarHBondContact N-O 2.88Å
237	T	95.3	Very high	90.2	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.8	175	-50.4	0	0	0	0	110.1	M213 A215 D266 R267	M213-T237 CarbonylContact O-C 3.57Å; M213-T237 WeakPolarHBondContact O-CA 3.38Å; A215-T237 HydrophobicContact CB-CG2 3.88Å; T237-D266 WeakPolarHBondContact CB-OD1 3.35Å; T237-D266 PolarHBondContact N-OD1 3.19Å; T237-D266 PolarHBondContact N-OD2 3.48Å; T237-D266 VanDerWaalsContact N-OD2 3.13Å; T237-D266 PolarHBondContact OG1-OD1 2.96Å; T237-R267 PolarHBondContact O-NH2 3.07Å; T237-R267 PolarHBondContact OG1-O 2.86Å
238	S	90.9	Very high	89.4	Confident	40 Å²	40	58.7 Å²	58.7	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.2	180	174.3	0	0	0	0	111.9	M213 A215 N240	M213-S238 PolarHBondContact O-N 2.82Å; A215-S238 WeakPolarHBondContact CB-O 3.43Å; A215-S238 PolarHBondContact N-O 2.75Å; S238-N240 PolarHBondContact OG-N 2.84Å
239	F	83.7	Confident	88.7	Confident	68 Å²	68	58.2 Å²	58.2	30%	0.298	32%	0.318	S	S	.	.			trans	-97.1	-16.4	173.3	-59.2	-72.4	0	0	0	114	A215 V241 R267	A215-F239 HydrophobicContact CB-CD1 3.79Å; A215-F239 HydrophobicContact CB-CE1 4.08Å; F239-V241 PolarHBondContact O-N 2.9Å; F239-R267 HydrophobicContact CZ-CB 3.94Å; F239-R267 VanDerWaalsContact CZ-CD 3.45Å; F239-R267 HydrophobicContact CZ-CG 4.21Å
240	N	82.7	Confident	87.8	Confident	142 Å²	142	60.5 Å²	60.5	76%	0.759	34%	0.337	S	S	*	.			trans	-71.6	105.6	-176.9	-70.1	-14.5	0	0	0	108.2	S238	S238-N240 PolarHBondContact OG-N 2.84Å
241	V	83.1	Confident	87.2	Confident	19 Å²	19	59.6 Å²	59.6	12%	0.115	34%	0.339	C	S	.	.			trans	-97.8	120.9	165.8	-178.1	0	0	0	0	106.3	Y216 F239 E245 V246 L249	Y216-V241 HydrophobicContact CD2-CG2 3.3Å; Y216-V241 HydrophobicContact CE2-CG2 3.56Å; Y216-V241 HydrophobicContact CG-CG2 4.34Å; F239-V241 PolarHBondContact O-N 2.9Å; V241-E245 HydrophobicContact CG1-CB 3.55Å; V241-V246 HydrophobicContact CB-CG2 4.44Å; V241-V246 HydrophobicContact CG1-CG2 4.14Å; V241-L249 HydrophobicContact CB-CD1 4.35Å; V241-L249 HydrophobicContact CG1-CD1 4.11Å; V241-L249 HydrophobicContact CG1-CG 4.36Å; V241-L249 HydrophobicContact CG2-CD1 4.1Å
242	P	82.9	Confident	86.8	Confident	53 Å²	53	56.3 Å²	56.3	34%	0.344	32%	0.321	S	S	.	.			trans	-49.5	140.2	173.5	-28	35.3	0	0	0	110.8	D244 E245 V246	P242-D244 WeakPolarHBondContact CB-OD1 3.34Å; P242-D244 PolarHBondContact O-N 2.92Å; P242-D244 VanDerWaalsContact O-N 3.1Å; P242-E245 HydrophobicContact CB-CB 4.21Å; P242-E245 HydrophobicContact CB-CG 4.1Å; P242-E245 HydrophobicContact CG-CB 4.45Å; P242-E245 HydrophobicContact CG-CG 4.15Å; P242-E245 CarbonylContact O-C 3.52Å; P242-E245 WeakPolarHBondContact O-CA 3.44Å; P242-E245 WeakPolarHBondContact O-CB 3.34Å; P242-E245 PolarHBondContact O-N 3.37Å; P242-V246 PolarHBondContact O-N 2.94Å; P242-V246 VanDerWaalsContact O-N 3.13Å
243	P	83.1	Confident	86.4	Confident	117 Å²	117	62.3 Å²	62.3	76%	0.76	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-34	-177.1	-28	34.9	0	0	0	114.1	E245 V246	P243-E245 VanDerWaalsContact C-N 3.34Å; P243-V246 PolarHBondContact O-N 2.98Å
244	D	83.3	Confident	86.1	Confident	119 Å²	119	62.7 Å²	62.7	64%	0.636	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.1	174.7	59.4	-52	0	0	0	113	P242 T247	P242-D244 WeakPolarHBondContact CB-OD1 3.34Å; P242-D244 PolarHBondContact O-N 2.92Å; P242-D244 VanDerWaalsContact O-N 3.1Å; D244-T247 PolarHBondContact O-OG1 3.19Å
245	E	84.4	Confident	85.9	Confident	46 Å²	46	62.5 Å²	62.5	22%	0.215	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.2	175.8	-69.1	-164.8	-179	0	0	114.1	S167 S192 V241 P242 P243 T247 L248	S167-E245 WeakPolarHBondContact CB-OE1 3.29Å; S167-E245 WeakPolarHBondContact CB-OE2 3.33Å; S167-E245 PolarHBondContact OG-OE1 2.83Å; S167-E245 VanDerWaalsContact OG-OE1 3.09Å; S167-E245 PolarHBondContact OG-OE2 2.82Å; S192-E245 PolarHBondContact OG-OE2 2.82Å; V241-E245 HydrophobicContact CG1-CB 3.55Å; P242-E245 HydrophobicContact CB-CB 4.21Å; P242-E245 HydrophobicContact CB-CG 4.1Å; P242-E245 HydrophobicContact CG-CB 4.45Å; P242-E245 HydrophobicContact CG-CG 4.15Å; P242-E245 CarbonylContact O-C 3.52Å; P242-E245 WeakPolarHBondContact O-CA 3.44Å; P242-E245 WeakPolarHBondContact O-CB 3.34Å; P242-E245 PolarHBondContact O-N 3.37Å; P243-E245 VanDerWaalsContact C-N 3.34Å; E245-T247 PolarHBondContact O-N 2.76Å; E245-T247 VanDerWaalsContact O-N 3.17Å; E245-L248 HydrophobicContact CB-CD1 3.86Å; E245-L248 HydrophobicContact CB-CG 4.34Å; E245-L248 HydrophobicContact CG-CD1 3.79Å; E245-L248 WeakPolarHBondContact O-CA 3.41Å; E245-L248 WeakPolarHBondContact O-CB 3.36Å; E245-L248 VanDerWaalsContact O-CG 3.29Å; E245-L248 WeakPolarHBondContact O-CG 3.44Å; E245-L248 PolarHBondContact O-N 3.07Å
246	V	84.1	Confident	85.7	Confident	69 Å²	69	58.9 Å²	58.9	42%	0.418	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.7	-33.9	177.1	177.2	0	0	0	0	110.7	V241 P242 P243 L248 L249	V241-V246 HydrophobicContact CB-CG2 4.44Å; V241-V246 HydrophobicContact CG1-CG2 4.14Å; P242-V246 PolarHBondContact O-N 2.94Å; P242-V246 VanDerWaalsContact O-N 3.13Å; P243-V246 PolarHBondContact O-N 2.98Å; V246-L248 PolarHBondContact O-N 3.18Å; V246-L248 VanDerWaalsContact O-N 3.16Å; V246-L249 WeakPolarHBondContact O-CB 2.95Å; V246-L249 PolarHBondContact O-N 3.37Å
247	T	81	Confident	85.6	Confident	119 Å²	119	60.7 Å²	60.7	73%	0.73	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-62.6	-18.2	174.3	66.7	0	0	0	0	113.9	D244 E245	D244-T247 PolarHBondContact O-OG1 3.19Å; E245-T247 PolarHBondContact O-N 2.76Å; E245-T247 VanDerWaalsContact O-N 3.17Å
248	L	80	Confident	85.6	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.026	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-80.5	-21.2	176.1	-49.6	178.2	0	0	0	112.3	A193 E245 V246 A250	A193-L248 HydrophobicContact CB-CB 4.21Å; E245-L248 HydrophobicContact CB-CD1 3.86Å; E245-L248 HydrophobicContact CB-CG 4.34Å; E245-L248 HydrophobicContact CG-CD1 3.79Å; E245-L248 WeakPolarHBondContact O-CA 3.41Å; E245-L248 WeakPolarHBondContact O-CB 3.36Å; E245-L248 VanDerWaalsContact O-CG 3.29Å; E245-L248 WeakPolarHBondContact O-CG 3.44Å; E245-L248 PolarHBondContact O-N 3.07Å; V246-L248 PolarHBondContact O-N 3.18Å; V246-L248 VanDerWaalsContact O-N 3.16Å; L248-A250 PolarHBondContact O-N 3Å
249	L	82.4	Confident	85.8	Confident	19 Å²	19	59.6 Å²	59.6	10%	0.099	33%	0.333	C	S	.	.			trans	-77.3	75	-178.6	-56.6	-179.3	0	0	0	110	Y216 I219 V241 V246 L293 L294	Y216-L249 HydrophobicContact CD1-CD2 4.3Å; Y216-L249 HydrophobicContact CD2-CD1 4.48Å; Y216-L249 HydrophobicContact CD2-CD2 4.36Å; Y216-L249 HydrophobicContact CG-CD1 4.39Å; Y216-L249 HydrophobicContact CG-CD2 3.81Å; I219-L249 HydrophobicContact CG2-CD2 4.05Å; V241-L249 HydrophobicContact CB-CD1 4.35Å; V241-L249 HydrophobicContact CG1-CD1 4.11Å; V241-L249 HydrophobicContact CG1-CG 4.36Å; V241-L249 HydrophobicContact CG2-CD1 4.1Å; V246-L249 WeakPolarHBondContact O-CB 2.95Å; V246-L249 PolarHBondContact O-N 3.37Å; L249-L293 HydrophobicContact CD1-CD1 4.36Å; L249-L294 HydrophobicContact CB-CD1 4.34Å; L249-L294 HydrophobicContact CB-CD2 4.35Å
250	A	78.8	Confident	86.4	Confident	50 Å²	50	56.5 Å²	56.5	41%	0.413	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-85.6	144.4	163.3	0	0	0	0	0	109.2	I219 G220 L248	I219-A250 WeakPolarHBondContact CG1-O 3.19Å; G220-A250 WeakPolarHBondContact CA-O 3.42Å; G220-A250 PolarHBondContact N-O 2.84Å; L248-A250 PolarHBondContact O-N 3Å
251	A	79	Confident	87.1	Confident	32 Å²	32	52 Å²	52	26%	0.264	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-60.9	146.8	165.9	0	0	0	0	0	109.5	I253 A274	A251-I253 PolarHBondContact O-N 2.92Å; A251-A274 HydrophobicContact CB-CB 4.38Å
252	T	84.9	Confident	87.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-56.1	134.4	168.3	-61.3	0	0	0	0	108.5	A221 F224 N275	A221-T252 HydrophobicContact CB-CG2 4.39Å; A221-T252 VanDerWaalsContact O-CA 3.28Å; A221-T252 WeakPolarHBondContact O-CA 2.92Å; A221-T252 WeakPolarHBondContact O-CG2 3.44Å; F224-T252 HydrophobicContact CD1-CG2 3.97Å; F224-T252 HydrophobicContact CE1-CG2 3.51Å; F224-T252 HydrophobicContact CZ-CG2 4.46Å; T252-N275 WeakPolarHBondContact O-CB 3.48Å; T252-N275 PolarHBondContact O-ND2 3.44Å
253	I	87.5	Confident	88.3	Confident	132 Å²	132	52.2 Å²	52.2	68%	0.677	29%	0.289	S	S	*	.	S	Bend	trans	-75.5	-44.1	-179.1	-60	171.8	0	0	0	109.9	A221 A222 A251	A221-I253 PolarHBondContact O-N 2.82Å; A221-I253 VanDerWaalsContact O-N 3.1Å; A222-I253 HydrophobicContact CB-CD1 4.41Å; A222-I253 WeakPolarHBondContact O-CB 3.34Å; A251-I253 PolarHBondContact O-N 2.92Å
254	K	90.1	Very high	89	Confident	139 Å²	139	49 Å²	49	60%	0.604	27%	0.266	S	S	*	.	S	Bend	trans	-148.8	107.6	176.9	-174.1	-179.8	-179.9	-177.4	0	111.6	A222 S223 F224	A222-K254 PolarHBondContact O-N 3.5Å; S223-K254 VanDerWaalsContact CA-O 3.23Å; S223-K254 WeakPolarHBondContact CA-O 3.35Å; F224-K254 PolarHBondContact N-O 2.93Å; F224-K254 VanDerWaalsContact N-O 3.08Å
255	G	91.5	Very high	89.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133	175.2	0	0	0	0	0	111.9	F224 N275 V276 D277	F224-G255 VanDerWaalsContact CZ-CA 3.46Å; G255-N275 PolarHBondContact N-O 3.08Å; G255-V276 WeakPolarHBondContact O-CA 3.27Å; G255-D277 PolarHBondContact O-N 2.83Å
256	G	93.2	Very high	90.3	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-97.5	171.8	0	0	0	0	0	111.6	F224 G225 V276 D277 E278	F224-G256 PolarHBondContact O-N 2.88Å; G225-G256 CarbonylContact O-C 3.55Å; G225-G256 VanDerWaalsContact O-CA 3.29Å; G225-G256 WeakPolarHBondContact O-CA 3.43Å; G256-V276 WeakPolarHBondContact O-CG1 3.34Å; G256-D277 WeakPolarHBondContact O-CB 3.16Å; G256-D277 PolarHBondContact O-N 2.85Å; G256-E278 PolarHBondContact O-N 2.9Å; G256-E278 VanDerWaalsContact O-N 3.14Å
257	K	94.6	Very high	90.8	Very high	84 Å²	84	43.1 Å²	43.1	37%	0.365	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.4	-174.7	-52.1	-163.1	-178.7	-152.5	0	113.3	G225 T226 I227 E259 E278	G225-K257 PolarHBondContact O-N 2.92Å; T226-K257 CarbonylContact C-O 3.57Å; T226-K257 VanDerWaalsContact CA-O 3.32Å; T226-K257 WeakPolarHBondContact CA-O 3.27Å; T226-K257 HydrophobicContact CG2-CB 4.35Å; I227-K257 PolarHBondContact N-O 2.8Å; K257-E259 HydrophobicContact CB-CG 4.45Å; K257-E278 CarbonylContact C-O 3.54Å; K257-E278 VanDerWaalsContact CA-O 3.3Å; K257-E278 WeakPolarHBondContact CA-O 3.33Å; K257-E278 HydrophobicContact CD-CB 4.48Å; K257-E278 VanDerWaalsContact CE-OE2 3.27Å; K257-E278 WeakPolarHBondContact CE-OE2 3.42Å; K257-E278 HydrophobicContact CG-CB 4.2Å; K257-E278 IonicContact NZ-OE2 2.96Å; K257-E278 PolarHBondContact NZ-OE2 3.05Å
258	I	95.6	Very high	91.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.1	165.5	-54.7	-175.3	0	0	0	109.2	F224 I227 F260 F273 V276 E278 T279 R280	F224-I258 HydrophobicContact CE2-CD1 4.43Å; F224-I258 HydrophobicContact CE2-CG1 3.87Å; F224-I258 HydrophobicContact CZ-CD1 3.88Å; F224-I258 HydrophobicContact CZ-CG1 3.82Å; I227-I258 HydrophobicContact CB-CG1 4.21Å; I227-I258 HydrophobicContact CB-CG2 4.26Å; I227-I258 HydrophobicContact CD1-CD1 4.27Å; I227-I258 HydrophobicContact CD1-CG1 4.32Å; I227-I258 HydrophobicContact CG2-CG2 4.39Å; I227-I258 CarbonylContact O-C 3.35Å; I227-I258 WeakPolarHBondContact O-CA 3.31Å; I258-F260 HydrophobicContact CG2-CD2 4.08Å; I258-F260 HydrophobicContact CG2-CE2 3.43Å; I258-F260 VanDerWaalsContact CG2-CE2 3.43Å; I258-F260 HydrophobicContact CG2-CZ 4.27Å; I258-F273 HydrophobicContact CD1-CD1 4.28Å; I258-F273 HydrophobicContact CG2-CE1 4.43Å; I258-V276 HydrophobicContact CB-CG1 4.44Å; I258-V276 HydrophobicContact CD1-CG1 4.26Å; I258-V276 HydrophobicContact CD1-CG2 3.78Å; I258-V276 HydrophobicContact CG1-CG1 3.85Å; I258-V276 HydrophobicContact CG1-CG2 4.24Å; I258-E278 PolarHBondContact N-O 3.14Å; I258-T279 WeakPolarHBondContact O-CA 3.47Å; I258-R280 PolarHBondContact O-N 2.9Å
259	E	95.8	Very high	91.8	Very high	22 Å²	22	37.6 Å²	37.6	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.2	-173.7	-58.1	173.8	152.2	0	0	110.8	I227 Q228 L229 K257 Y261 R280	I227-E259 PolarHBondContact O-N 3.12Å; Q228-E259 CarbonylContact C-O 3.47Å; Q228-E259 WeakPolarHBondContact CA-O 3.49Å; Q228-E259 HydrophobicContact CG-CB 4.1Å; Q228-E259 VanDerWaalsContact CG-OE2 3.32Å; Q228-E259 WeakPolarHBondContact CG-OE2 3.44Å; Q228-E259 PolarHBondContact NE2-OE2 2.97Å; L229-E259 PolarHBondContact N-O 3.19Å; K257-E259 HydrophobicContact CB-CG 4.45Å; E259-Y261 HydrophobicContact CB-CD2 4.2Å; E259-Y261 HydrophobicContact CB-CE2 3.41Å; E259-Y261 VanDerWaalsContact CB-CE2 3.41Å; E259-Y261 HydrophobicContact CG-CE2 4.37Å; E259-Y261 PolarHBondContact OE2-OH 2.76Å; E259-R280 CarbonylContact C-O 3.55Å; E259-R280 VanDerWaalsContact CA-O 3.24Å; E259-R280 WeakPolarHBondContact CA-O 3.29Å; E259-R280 HydrophobicContact CG-CB 4.43Å
260	F	97.3	Very high	92	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.3	175.5	-64.3	-119.9	0	0	0	107.9	L229 I258 V263 L268 I272 F273 R280 L281 E282	L229-F260 HydrophobicContact CB-CD1 4.39Å; L229-F260 HydrophobicContact CD1-CD1 3.8Å; L229-F260 HydrophobicContact CD1-CE1 3.45Å; L229-F260 VanDerWaalsContact CD1-CE1 3.45Å; L229-F260 HydrophobicContact CD1-CE2 4.45Å; L229-F260 HydrophobicContact CD1-CG 4.42Å; L229-F260 HydrophobicContact CD1-CZ 3.79Å; L229-F260 CarbonylContact O-C 3.49Å; I258-F260 HydrophobicContact CG2-CD2 4.08Å; I258-F260 HydrophobicContact CG2-CE2 3.43Å; I258-F260 VanDerWaalsContact CG2-CE2 3.43Å; I258-F260 HydrophobicContact CG2-CZ 4.27Å; F260-V263 HydrophobicContact CB-CB 4.42Å; F260-V263 HydrophobicContact CB-CG2 4.01Å; F260-V263 HydrophobicContact CD1-CB 4.12Å; F260-V263 HydrophobicContact CD1-CG1 4.14Å; F260-V263 HydrophobicContact CD1-CG2 3.97Å; F260-V263 HydrophobicContact CG-CG2 4.45Å; F260-L268 HydrophobicContact CE1-CD1 4.45Å; F260-L268 HydrophobicContact CZ-CD1 4.38Å; F260-I272 HydrophobicContact CZ-CD1 3.87Å; F260-F273 AromaticContact CE2-CE1 3.86Å; F260-F273 HydrophobicContact CE2-CE1 3.86Å; F260-F273 HydrophobicContact CE2-CZ 4.19Å; F260-F273 HydrophobicContact CZ-CE1 4.33Å; F260-R280 PolarHBondContact N-O 2.79Å; F260-L281 HydrophobicContact CB-CB 4.26Å; F260-L281 HydrophobicContact CB-CD2 4.09Å; F260-L281 HydrophobicContact CB-CG 3.98Å; F260-L281 HydrophobicContact CD1-CD2 4.24Å; F260-L281 HydrophobicContact CD2-CD2 3.98Å; F260-L281 HydrophobicContact CD2-CG 3.89Å; F260-L281 HydrophobicContact CE2-CD2 4.48Å; F260-L281 HydrophobicContact CG-CD2 3.87Å; F260-L281 HydrophobicContact CG-CG 4.04Å; F260-L281 CarbonylContact O-C 3.53Å; F260-L281 WeakPolarHBondContact O-CA 3.43Å; F260-E282 PolarHBondContact O-N 3.02Å
261	Y	96.1	Very high	92.1	Very high	47 Å²	47	34.5 Å²	34.5	18%	0.184	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.2	178.1	-62.9	-85.5	0	0	0	108.7	Q228 L229 F230 N231 E259 V263 E282	Q228-Y261 HydrophobicContact CG-CE2 4.38Å; L229-Y261 PolarHBondContact O-N 3.34Å; F230-Y261 CarbonylContact C-O 3.56Å; F230-Y261 WeakPolarHBondContact CA-O 3.45Å; F230-Y261 VanDerWaalsContact CD1-CB 3.41Å; F230-Y261 AromaticContact CD1-CD2 3.57Å; F230-Y261 HydrophobicContact CD1-CD2 3.57Å; F230-Y261 AromaticContact CD1-CG 3.68Å; F230-Y261 HydrophobicContact CD1-CG 3.68Å; F230-Y261 HydrophobicContact CE1-CD1 4.19Å; F230-Y261 AromaticContact CE1-CD2 3.07Å; F230-Y261 HydrophobicContact CE1-CD2 3.07Å; F230-Y261 AromaticContact CE1-CE2 3.61Å; F230-Y261 HydrophobicContact CE1-CE2 3.61Å; F230-Y261 AromaticContact CE1-CG 3.4Å; F230-Y261 HydrophobicContact CE1-CG 3.4Å; F230-Y261 VanDerWaalsContact CE1-CG 3.4Å; F230-Y261 HydrophobicContact CE2-CD2 4.27Å; F230-Y261 HydrophobicContact CG-CD2 4.3Å; F230-Y261 AromaticContact CZ-CD2 3.47Å; F230-Y261 HydrophobicContact CZ-CD2 3.47Å; F230-Y261 VanDerWaalsContact CZ-CD2 3.47Å; F230-Y261 AromaticContact CZ-CE2 3.63Å; F230-Y261 HydrophobicContact CZ-CE2 3.63Å; F230-Y261 HydrophobicContact CZ-CG 4.26Å; N231-Y261 PolarHBondContact N-O 2.98Å; E259-Y261 HydrophobicContact CB-CD2 4.2Å; E259-Y261 HydrophobicContact CB-CE2 3.41Å; E259-Y261 VanDerWaalsContact CB-CE2 3.41Å; E259-Y261 HydrophobicContact CG-CE2 4.37Å; E259-Y261 PolarHBondContact OE2-OH 2.76Å; Y261-V263 VanDerWaalsContact C-N 3.33Å; Y261-V263 PolarHBondContact O-N 3.29Å; Y261-E282 WeakPolarHBondContact CA-O 3.39Å; Y261-E282 HydrophobicContact CD1-CB 3.82Å; Y261-E282 HydrophobicContact CD1-CG 4.06Å; Y261-E282 HydrophobicContact CE1-CB 4.2Å; Y261-E282 HydrophobicContact CE1-CG 3.91Å; Y261-E282 VanDerWaalsContact CE1-OE2 3.3Å; Y261-E282 WeakPolarHBondContact CE1-OE2 3.39Å
262	N	94.1	Very high	92.3	Very high	75 Å²	75	33.6 Å²	33.6	40%	0.401	16%	0.161	S	C	.	.	S	Bend	trans	54.7	47.7	178.4	-170.7	35.6	0	0	0	112.6	N231 L232 E282 H283	N231-N262 WeakPolarHBondContact CA-O 3.34Å; N231-N262 PolarHBondContact OD1-ND2 3.37Å; L232-N262 PolarHBondContact N-O 3.48Å; N262-E282 PolarHBondContact N-O 2.97Å; N262-H283 WeakPolarHBondContact CA-O 3.15Å
263	V	97.4	Very high	92.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	16%	0.161	C	C	.	.			trans	-98.4	131.5	177.8	177.8	0	0	0	0	110.4	L229 L232 I234 F260 Y261 M265 C284 Q285	L229-V263 HydrophobicContact CB-CG2 4.05Å; L232-V263 HydrophobicContact CB-CG1 4.14Å; L232-V263 HydrophobicContact CB-CG2 4.04Å; L232-V263 HydrophobicContact CG-CG2 4.38Å; L232-V263 CarbonylContact O-C 3.56Å; L232-V263 WeakPolarHBondContact O-CA 3.31Å; I234-V263 HydrophobicContact CD1-CG1 4.25Å; F260-V263 HydrophobicContact CB-CB 4.42Å; F260-V263 HydrophobicContact CB-CG2 4.01Å; F260-V263 HydrophobicContact CD1-CB 4.12Å; F260-V263 HydrophobicContact CD1-CG1 4.14Å; F260-V263 HydrophobicContact CD1-CG2 3.97Å; F260-V263 HydrophobicContact CG-CG2 4.45Å; Y261-V263 VanDerWaalsContact C-N 3.33Å; Y261-V263 PolarHBondContact O-N 3.29Å; V263-M265 HydrophobicContact CG1-SD 4.28Å; V263-C284 CarbonylContact O-C 3.56Å; V263-C284 VanDerWaalsContact O-CA 3.24Å; V263-C284 WeakPolarHBondContact O-CA 3.24Å; V263-C284 WeakPolarHBondContact O-CB 3.48Å; V263-Q285 PolarHBondContact O-N 3.42Å
264	I	97.9	Very high	92.2	Very high	51 Å²	51	27.3 Å²	27.3	26%	0.262	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.9	175.3	-55.5	177	0	0	0	108.4	L232 I234 Q285	L232-I264 PolarHBondContact O-N 3.11Å; I234-I264 PolarHBondContact N-O 3.16Å; I264-Q285 WeakPolarHBondContact CA-O 3.4Å; I264-Q285 HydrophobicContact CG1-CB 4.23Å; I264-Q285 HydrophobicContact CG2-CB 4.33Å
265	M	97	Very high	92	Very high	15 Å²	15	22.8 Å²	22.8	7%	0.074	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.8	179.1	69.2	-160.5	-42.5	0	0	113	I234 V263 R267 L268 Q285 I286 D287	I234-M265 HydrophobicContact CB-CB 3.97Å; I234-M265 HydrophobicContact CD1-CB 4.38Å; I234-M265 HydrophobicContact CD1-CE 3.62Å; V263-M265 HydrophobicContact CG1-SD 4.28Å; M265-R267 WeakPolarHBondContact CE-O 3.3Å; M265-L268 HydrophobicContact CE-CD1 4.3Å; M265-L268 HydrophobicContact SD-CB 4.07Å; M265-L268 HydrophobicContact SD-CD1 3.99Å; M265-Q285 PolarHBondContact N-O 3.12Å; M265-I286 HydrophobicContact CG-CG1 4.05Å; M265-I286 WeakPolarHBondContact O-CA 3.27Å; M265-I286 HydrophobicContact SD-CG1 4.37Å; M265-D287 PolarHBondContact O-N 3.32Å; M265-D287 VanDerWaalsContact O-N 3.13Å
266	D	96.8	Very high	91.9	Very high	28 Å²	28	22.9 Å²	22.9	15%	0.15	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-41.9	176.5	64	-26	0	0	0	111.8	T237 D287 R288	T237-D266 WeakPolarHBondContact CB-OD1 3.35Å; T237-D266 PolarHBondContact N-OD1 3.19Å; T237-D266 PolarHBondContact N-OD2 3.48Å; T237-D266 VanDerWaalsContact N-OD2 3.13Å; T237-D266 PolarHBondContact OG1-OD1 2.96Å; D266-D287 VanDerWaalsContact O-CB 3.26Å; D266-D287 WeakPolarHBondContact O-CB 3.28Å; D266-R288 PolarHBondContact O-N 3.46Å
267	R	94.7	Very high	91.8	Very high	67 Å²	67	26.9 Å²	26.9	25%	0.253	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.2	-176.3	-71.6	179.3	-64	-84.8	-6.1	111.6	T237 F239 M265 R288	T237-R267 PolarHBondContact O-NH2 3.07Å; T237-R267 PolarHBondContact OG1-O 2.86Å; F239-R267 HydrophobicContact CZ-CB 3.94Å; F239-R267 VanDerWaalsContact CZ-CD 3.45Å; F239-R267 HydrophobicContact CZ-CG 4.21Å; M265-R267 WeakPolarHBondContact CE-O 3.3Å; R267-R288 CarbonylContact C-O 3.51Å; R267-R288 VanDerWaalsContact CA-O 3.32Å; R267-R288 WeakPolarHBondContact CA-O 3.47Å; R267-R288 HydrophobicContact CG-CB 4.11Å
268	L	94.2	Very high	91.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.2	167.7	-178.3	63.3	0	0	0	109.3	F260 M265 I272 F273 L281 I286 R288 L289 T290 F304	F260-L268 HydrophobicContact CE1-CD1 4.45Å; F260-L268 HydrophobicContact CZ-CD1 4.38Å; M265-L268 HydrophobicContact CE-CD1 4.3Å; M265-L268 HydrophobicContact SD-CB 4.07Å; M265-L268 HydrophobicContact SD-CD1 3.99Å; L268-I272 HydrophobicContact CD1-CD1 3.63Å; L268-F273 HydrophobicContact CD1-CZ 4.06Å; L268-F273 HydrophobicContact CD2-CE2 4.29Å; L268-F273 HydrophobicContact CD2-CZ 4.17Å; L268-F273 HydrophobicContact CG-CZ 4.43Å; L268-L281 HydrophobicContact CD2-CD2 3.42Å; L268-L281 VanDerWaalsContact CD2-CD2 3.42Å; L268-I286 HydrophobicContact CB-CD1 4.28Å; L268-I286 HydrophobicContact CB-CG1 4.48Å; L268-I286 HydrophobicContact CB-CG2 3.77Å; L268-I286 HydrophobicContact CD2-CD1 3.68Å; L268-R288 PolarHBondContact N-O 2.95Å; L268-L289 HydrophobicContact CB-CD1 4.03Å; L268-L289 HydrophobicContact CD2-CD1 3.91Å; L268-L289 HydrophobicContact CG-CD1 4Å; L268-T290 PolarHBondContact O-N 2.99Å; L268-T290 PolarHBondContact O-OG1 3.04Å; L268-F304 HydrophobicContact CD2-CE1 4.08Å; L268-F304 HydrophobicContact CD2-CZ 4.33Å
269	H	88.9	Confident	91.6	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.023	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.6	174.7	179.4	-117.6	0	0	0	110	A215 Y216 G271 I272 T290 S291 G292	A215-H269 HydrophobicContact CB-CB 4.29Å; Y216-H269 AromaticContact CE1-CE1 3.88Å; Y216-H269 AromaticContact CE1-ND1 3.8Å; H269-G271 WeakPolarHBondContact CE1-CA 3.41Å; H269-G271 PolarHBondContact CE1-N 3.16Å; H269-G271 WeakPolarHBondContact ND1-CA 3.39Å; H269-G271 PolarHBondContact ND1-N 3.06Å; H269-G271 VanDerWaalsContact ND1-N 3.16Å; H269-G271 PolarHBondContact NE2-N 3.16Å; H269-G271 PolarHBondContact O-N 2.93Å; H269-I272 WeakPolarHBondContact O-CG1 3.32Å; H269-T290 PolarHBondContact CD2-O 2.79Å; H269-S291 PolarHBondContact CD2-O 3.14Å; H269-G292 PolarHBondContact CD2-N 3.03Å; H269-G292 VanDerWaalsContact CD2-N 3.29Å; H269-G292 WeakPolarHBondContact NE2-CA 3.46Å; H269-G292 PolarHBondContact NE2-N 3.06Å
270	L	86.8	Confident	91.6	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.6	-178.6	-69.2	176.5	0	0	0	113	I272 F273 L289 T290 L296 V302 A316 F317	L270-I272 PolarHBondContact O-N 2.93Å; L270-F273 HydrophobicContact CB-CD2 4.42Å; L270-F273 HydrophobicContact CD2-CD2 3.91Å; L270-F273 HydrophobicContact CD2-CE2 3.84Å; L270-F273 VanDerWaalsContact O-CB 3.31Å; L270-F273 WeakPolarHBondContact O-CB 3.3Å; L270-F273 WeakPolarHBondContact O-CD2 3.39Å; L270-F273 WeakPolarHBondContact O-CG 3.34Å; L270-F273 PolarHBondContact O-N 3.29Å; L270-L289 HydrophobicContact CD2-CD1 3.73Å; L270-L289 HydrophobicContact CD2-CD2 4.34Å; L270-L289 HydrophobicContact CD2-CG 4.35Å; L270-L289 HydrophobicContact CG-CD1 3.96Å; L270-L289 HydrophobicContact CG-CG 4.29Å; L270-T290 PolarHBondContact N-O 3.2Å; L270-L296 HydrophobicContact CB-CD1 3.7Å; L270-L296 WeakPolarHBondContact O-CD2 3.49Å; L270-V302 HydrophobicContact CD2-CG1 4.33Å; L270-A316 WeakPolarHBondContact CD1-O 3.47Å; L270-F317 HydrophobicContact CD1-CD1 3.51Å; L270-F317 HydrophobicContact CD1-CD2 4.32Å; L270-F317 HydrophobicContact CD1-CE1 3.29Å; L270-F317 HydrophobicContact CD1-CE2 4.13Å; L270-F317 HydrophobicContact CD1-CG 4.04Å; L270-F317 HydrophobicContact CD1-CZ 3.63Å
271	G	79.7	Confident	91.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.5	-176.2	0	0	0	0	0	115.3	I219 H269 F273 A274	I219-G271 VanDerWaalsContact CD1-O 3.26Å; I219-G271 WeakPolarHBondContact CD1-O 3.3Å; H269-G271 WeakPolarHBondContact CE1-CA 3.41Å; H269-G271 PolarHBondContact CE1-N 3.16Å; H269-G271 WeakPolarHBondContact ND1-CA 3.39Å; H269-G271 PolarHBondContact ND1-N 3.06Å; H269-G271 VanDerWaalsContact ND1-N 3.16Å; H269-G271 PolarHBondContact NE2-N 3.16Å; H269-G271 PolarHBondContact O-N 2.93Å; G271-F273 PolarHBondContact O-N 3.01Å; G271-F273 VanDerWaalsContact O-N 3.16Å; G271-A274 WeakPolarHBondContact O-CB 3.36Å; G271-A274 PolarHBondContact O-N 3.32Å; G271-A274 VanDerWaalsContact O-N 3.16Å
272	I	83.5	Confident	91.7	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.072	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62	-19.5	171.8	74.9	-174.8	0	0	0	112.3	A215 F260 L268 H269 L270	A215-I272 WeakPolarHBondContact O-CG2 3.26Å; F260-I272 HydrophobicContact CZ-CD1 3.87Å; L268-I272 HydrophobicContact CD1-CD1 3.63Å; H269-I272 WeakPolarHBondContact O-CG1 3.32Å; L270-I272 PolarHBondContact O-N 2.93Å
273	F	86.6	Confident	91.8	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-91.1	8.7	179.9	-48.6	-46.6	0	0	0	113.3	I258 F260 L268 L270 G271 N275 V276 T279 L281 V299	I258-F273 HydrophobicContact CD1-CD1 4.28Å; I258-F273 HydrophobicContact CG2-CE1 4.43Å; F260-F273 AromaticContact CE2-CE1 3.86Å; F260-F273 HydrophobicContact CE2-CE1 3.86Å; F260-F273 HydrophobicContact CE2-CZ 4.19Å; F260-F273 HydrophobicContact CZ-CE1 4.33Å; L268-F273 HydrophobicContact CD1-CZ 4.06Å; L268-F273 HydrophobicContact CD2-CE2 4.29Å; L268-F273 HydrophobicContact CD2-CZ 4.17Å; L268-F273 HydrophobicContact CG-CZ 4.43Å; L270-F273 HydrophobicContact CB-CD2 4.42Å; L270-F273 HydrophobicContact CD2-CD2 3.91Å; L270-F273 HydrophobicContact CD2-CE2 3.84Å; L270-F273 VanDerWaalsContact O-CB 3.31Å; L270-F273 WeakPolarHBondContact O-CB 3.3Å; L270-F273 WeakPolarHBondContact O-CD2 3.39Å; L270-F273 WeakPolarHBondContact O-CG 3.34Å; L270-F273 PolarHBondContact O-N 3.29Å; G271-F273 PolarHBondContact O-N 3.01Å; G271-F273 VanDerWaalsContact O-N 3.16Å; F273-N275 PolarHBondContact O-N 2.83Å; F273-V276 WeakPolarHBondContact O-CB 3.36Å; F273-V276 WeakPolarHBondContact O-CG2 3.46Å; F273-V276 PolarHBondContact O-N 3.2Å; F273-T279 HydrophobicContact CD1-CG2 3.44Å; F273-T279 VanDerWaalsContact CD1-CG2 3.44Å; F273-T279 VanDerWaalsContact CD1-OG1 3.24Å; F273-T279 WeakPolarHBondContact CD1-OG1 2.99Å; F273-T279 HydrophobicContact CD2-CG2 4.02Å; F273-T279 HydrophobicContact CE1-CG2 3.22Å; F273-T279 HydrophobicContact CE2-CG2 3.81Å; F273-T279 HydrophobicContact CG-CG2 3.86Å; F273-T279 WeakPolarHBondContact CG-OG1 3.37Å; F273-T279 HydrophobicContact CZ-CG2 3.42Å; F273-T279 VanDerWaalsContact CZ-CG2 3.42Å; F273-L281 HydrophobicContact CZ-CD1 4.46Å; F273-V299 HydrophobicContact CB-CG1 4.35Å; F273-V299 HydrophobicContact CB-CG2 4.23Å; F273-V299 VanDerWaalsContact O-CG2 3.31Å; F273-V299 WeakPolarHBondContact O-CG2 3.25Å
274	A	84.4	Confident	91.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	122.8	178.7	0	0	0	0	0	111.4	I219 A251 G271 V276 L296	I219-A274 HydrophobicContact CD1-CB 4.36Å; A251-A274 HydrophobicContact CB-CB 4.38Å; G271-A274 WeakPolarHBondContact O-CB 3.36Å; G271-A274 PolarHBondContact O-N 3.32Å; G271-A274 VanDerWaalsContact O-N 3.16Å; A274-V276 VanDerWaalsContact C-N 3.32Å; A274-V276 PolarHBondContact O-N 2.89Å; A274-L296 HydrophobicContact CB-CD2 4.11Å
275	N	86.7	Confident	91.8	Very high	43 Å²	43	31.8 Å²	31.8	23%	0.23	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	40.4	-179.4	-57	-24.7	0	0	0	113.6	T252 G255 F273 R298	T252-N275 WeakPolarHBondContact O-CB 3.48Å; T252-N275 PolarHBondContact O-ND2 3.44Å; G255-N275 PolarHBondContact N-O 3.08Å; F273-N275 PolarHBondContact O-N 2.83Å; N275-R298 WeakPolarHBondContact CA-O 3.39Å; N275-R298 PolarHBondContact N-O 3.29Å; N275-R298 VanDerWaalsContact N-O 3.14Å
276	V	89.4	Confident	91.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.6	173	179.8	0	0	0	0	108.8	F224 G255 G256 I258 F273 A274 E278	F224-V276 HydrophobicContact CZ-CG2 3.95Å; G255-V276 WeakPolarHBondContact O-CA 3.27Å; G256-V276 WeakPolarHBondContact O-CG1 3.34Å; I258-V276 HydrophobicContact CB-CG1 4.44Å; I258-V276 HydrophobicContact CD1-CG1 4.26Å; I258-V276 HydrophobicContact CD1-CG2 3.78Å; I258-V276 HydrophobicContact CG1-CG1 3.85Å; I258-V276 HydrophobicContact CG1-CG2 4.24Å; F273-V276 WeakPolarHBondContact O-CB 3.36Å; F273-V276 WeakPolarHBondContact O-CG2 3.46Å; F273-V276 PolarHBondContact O-N 3.2Å; A274-V276 VanDerWaalsContact C-N 3.32Å; A274-V276 PolarHBondContact O-N 2.89Å; V276-E278 WeakPolarHBondContact CG1-O 3.06Å
277	D	90.5	Very high	91.9	Very high	99 Å²	99	32.9 Å²	32.9	53%	0.529	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	-50.6	179.9	-64.8	-30.8	0	0	0	110.7	G255 G256 A300 V301	G255-D277 PolarHBondContact O-N 2.83Å; G256-D277 WeakPolarHBondContact O-CB 3.16Å; G256-D277 PolarHBondContact O-N 2.85Å; D277-A300 WeakPolarHBondContact O-CB 3.39Å; D277-A300 PolarHBondContact O-N 3.35Å; D277-V301 PolarHBondContact O-N 2.91Å
278	E	91.7	Very high	92.1	Very high	55 Å²	55	33.2 Å²	33.2	26%	0.257	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.5	-176.9	-169.3	179.7	174.8	0	0	111.9	G256 K257 I258 V276 V301	G256-E278 PolarHBondContact O-N 2.9Å; G256-E278 VanDerWaalsContact O-N 3.14Å; K257-E278 CarbonylContact C-O 3.54Å; K257-E278 VanDerWaalsContact CA-O 3.3Å; K257-E278 WeakPolarHBondContact CA-O 3.33Å; K257-E278 HydrophobicContact CD-CB 4.48Å; K257-E278 VanDerWaalsContact CE-OE2 3.27Å; K257-E278 WeakPolarHBondContact CE-OE2 3.42Å; K257-E278 HydrophobicContact CG-CB 4.2Å; K257-E278 IonicContact NZ-OE2 2.96Å; K257-E278 PolarHBondContact NZ-OE2 3.05Å; I258-E278 PolarHBondContact N-O 3.14Å; V276-E278 WeakPolarHBondContact CG1-O 3.06Å; E278-V301 HydrophobicContact CG-CB 4.4Å
279	T	93.6	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	172.3	-62.8	0	0	0	0	110.1	I258 F273 L281 V301 V302 S303	I258-T279 WeakPolarHBondContact O-CA 3.47Å; F273-T279 HydrophobicContact CD1-CG2 3.44Å; F273-T279 VanDerWaalsContact CD1-CG2 3.44Å; F273-T279 VanDerWaalsContact CD1-OG1 3.24Å; F273-T279 WeakPolarHBondContact CD1-OG1 2.99Å; F273-T279 HydrophobicContact CD2-CG2 4.02Å; F273-T279 HydrophobicContact CE1-CG2 3.22Å; F273-T279 HydrophobicContact CE2-CG2 3.81Å; F273-T279 HydrophobicContact CG-CG2 3.86Å; F273-T279 WeakPolarHBondContact CG-OG1 3.37Å; F273-T279 HydrophobicContact CZ-CG2 3.42Å; F273-T279 VanDerWaalsContact CZ-CG2 3.42Å; T279-L281 HydrophobicContact CG2-CD1 3.7Å; T279-V301 WeakPolarHBondContact CB-O 3.37Å; T279-V301 PolarHBondContact N-O 3.11Å; T279-V302 HydrophobicContact CG2-CG1 4.48Å; T279-S303 PolarHBondContact O-N 2.83Å
280	R	96	Very high	92.3	Very high	74 Å²	74	33.8 Å²	33.8	28%	0.279	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.4	-178.1	-170.1	170.5	176.3	118.8	0.9	111.1	I258 E259 F260 E282 S303	I258-R280 PolarHBondContact O-N 2.9Å; E259-R280 CarbonylContact C-O 3.55Å; E259-R280 VanDerWaalsContact CA-O 3.24Å; E259-R280 WeakPolarHBondContact CA-O 3.29Å; E259-R280 HydrophobicContact CG-CB 4.43Å; F260-R280 PolarHBondContact N-O 2.79Å; R280-E282 HydrophobicContact CG-CG 4.12Å; R280-E282 IonicContact CZ-OE1 3.92Å; R280-E282 IonicContact NE-OE1 3.91Å; R280-E282 PolarHBondContact NE-OE1 2.82Å; R280-E282 IonicContact NH2-OE1 2.7Å; R280-E282 PolarHBondContact NH2-OE1 2.7Å; R280-S303 CarbonylContact C-O 3.54Å; R280-S303 WeakPolarHBondContact CA-O 3.14Å
281	L	97.8	Very high	92.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.7	178.2	-60.8	97	0	0	0	108.9	F260 L268 F273 T279 I286 S303 F304 V305 S307	F260-L281 HydrophobicContact CB-CB 4.26Å; F260-L281 HydrophobicContact CB-CD2 4.09Å; F260-L281 HydrophobicContact CB-CG 3.98Å; F260-L281 HydrophobicContact CD1-CD2 4.24Å; F260-L281 HydrophobicContact CD2-CD2 3.98Å; F260-L281 HydrophobicContact CD2-CG 3.89Å; F260-L281 HydrophobicContact CE2-CD2 4.48Å; F260-L281 HydrophobicContact CG-CD2 3.87Å; F260-L281 HydrophobicContact CG-CG 4.04Å; F260-L281 CarbonylContact O-C 3.53Å; F260-L281 WeakPolarHBondContact O-CA 3.43Å; L268-L281 HydrophobicContact CD2-CD2 3.42Å; L268-L281 VanDerWaalsContact CD2-CD2 3.42Å; F273-L281 HydrophobicContact CZ-CD1 4.46Å; T279-L281 HydrophobicContact CG2-CD1 3.7Å; L281-I286 HydrophobicContact CD2-CD1 3.85Å; L281-S303 PolarHBondContact N-O 2.81Å; L281-F304 HydrophobicContact CB-CD1 3.92Å; L281-F304 HydrophobicContact CB-CE1 4.32Å; L281-F304 HydrophobicContact CD1-CD1 4.05Å; L281-F304 HydrophobicContact CD1-CE1 3.78Å; L281-F304 HydrophobicContact CD1-CZ 4.1Å; L281-F304 HydrophobicContact CD2-CD1 4.37Å; L281-F304 HydrophobicContact CD2-CE1 3.96Å; L281-F304 HydrophobicContact CG-CD1 4.34Å; L281-F304 HydrophobicContact CG-CE1 4.25Å; L281-F304 CarbonylContact O-C 3.54Å; L281-F304 WeakPolarHBondContact O-CA 3.38Å; L281-V305 PolarHBondContact O-N 2.72Å; L281-S307 PolarHBondContact O-OG 3.5Å
282	E	97.3	Very high	92	Very high	35 Å²	35	36.3 Å²	36.3	16%	0.164	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.7	-179	-58.5	-159.3	165.5	0	0	111.5	F260 Y261 N262 R280 C284 V305	F260-E282 PolarHBondContact O-N 3.02Å; Y261-E282 WeakPolarHBondContact CA-O 3.39Å; Y261-E282 HydrophobicContact CD1-CB 3.82Å; Y261-E282 HydrophobicContact CD1-CG 4.06Å; Y261-E282 HydrophobicContact CE1-CB 4.2Å; Y261-E282 HydrophobicContact CE1-CG 3.91Å; Y261-E282 VanDerWaalsContact CE1-OE2 3.3Å; Y261-E282 WeakPolarHBondContact CE1-OE2 3.39Å; N262-E282 PolarHBondContact N-O 2.97Å; R280-E282 HydrophobicContact CG-CG 4.12Å; R280-E282 IonicContact CZ-OE1 3.92Å; R280-E282 IonicContact NE-OE1 3.91Å; R280-E282 PolarHBondContact NE-OE1 2.82Å; R280-E282 IonicContact NH2-OE1 2.7Å; R280-E282 PolarHBondContact NH2-OE1 2.7Å; E282-C284 PolarHBondContact O-N 3.4Å; E282-C284 VanDerWaalsContact O-N 3.07Å; E282-C284 PolarHBondContact O-SG 3.41Å; E282-V305 CarbonylContact C-O 3.55Å; E282-V305 VanDerWaalsContact CA-O 3.27Å; E282-V305 WeakPolarHBondContact CA-O 3.33Å; E282-V305 HydrophobicContact CG-CB 4.26Å
283	H	97	Very high	91.5	Very high	111 Å²	111	40.9 Å²	40.9	51%	0.514	20%	0.204	S	C	.	.	S	Bend	trans	53.4	30.7	175.8	-53	102.9	0	0	0	113.9	N262 V305 G306 S307	N262-H283 WeakPolarHBondContact CA-O 3.15Å; H283-V305 PolarHBondContact N-O 3.13Å; H283-G306 WeakPolarHBondContact CA-O 3.3Å; H283-S307 PolarHBondContact N-OG 3.18Å
284	C	98	Very high	90.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	21%	0.213	C	C	.	.			trans	-88.7	151.7	-177.2	-66.6	0	0	0	0	111.7	V263 E282 I286 S307 T308	V263-C284 CarbonylContact O-C 3.56Å; V263-C284 VanDerWaalsContact O-CA 3.24Å; V263-C284 WeakPolarHBondContact O-CA 3.24Å; V263-C284 WeakPolarHBondContact O-CB 3.48Å; E282-C284 PolarHBondContact O-N 3.4Å; E282-C284 VanDerWaalsContact O-N 3.07Å; E282-C284 PolarHBondContact O-SG 3.41Å; C284-I286 HydrophobicContact CB-CD1 4.33Å; C284-I286 HydrophobicContact CB-CG1 4.42Å; C284-S307 PolarHBondContact N-OG 3.17Å; C284-S307 CarbonylContact O-C 3.54Å; C284-S307 WeakPolarHBondContact O-CA 3.39Å; C284-S307 WeakPolarHBondContact O-CB 3.23Å; C284-T308 PolarHBondContact O-N 3.31Å
285	Q	98.2	Very high	90	Very high	110 Å²	110	44.9 Å²	44.9	51%	0.514	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.7	171.6	-61.9	-177.5	18.4	0	0	109.3	V263 I264 M265	V263-Q285 PolarHBondContact O-N 3.42Å; I264-Q285 WeakPolarHBondContact CA-O 3.4Å; I264-Q285 HydrophobicContact CG1-CB 4.23Å; I264-Q285 HydrophobicContact CG2-CB 4.33Å; M265-Q285 PolarHBondContact N-O 3.12Å
286	I	97.9	Very high	89.2	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.8	-176.3	-60.8	160	0	0	0	107.4	M265 L268 L281 C284 F304 T308 V309 R310	M265-I286 HydrophobicContact CG-CG1 4.05Å; M265-I286 WeakPolarHBondContact O-CA 3.27Å; M265-I286 HydrophobicContact SD-CG1 4.37Å; L268-I286 HydrophobicContact CB-CD1 4.28Å; L268-I286 HydrophobicContact CB-CG1 4.48Å; L268-I286 HydrophobicContact CB-CG2 3.77Å; L268-I286 HydrophobicContact CD2-CD1 3.68Å; L281-I286 HydrophobicContact CD2-CD1 3.85Å; C284-I286 HydrophobicContact CB-CD1 4.33Å; C284-I286 HydrophobicContact CB-CG1 4.42Å; I286-F304 HydrophobicContact CD1-CD1 4.27Å; I286-F304 HydrophobicContact CD1-CE1 3.8Å; I286-T308 PolarHBondContact N-O 2.86Å; I286-V309 HydrophobicContact CB-CG2 4.35Å; I286-V309 HydrophobicContact CD1-CG2 4.25Å; I286-V309 CarbonylContact O-C 3.5Å; I286-V309 VanDerWaalsContact O-CA 3.32Å; I286-V309 WeakPolarHBondContact O-CA 3.49Å; I286-R310 PolarHBondContact O-N 3.23Å
287	D	98.2	Very high	88.3	Confident	63 Å²	63	47.6 Å²	47.6	34%	0.337	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-49.4	176	177.9	60.7	0	0	0	110.7	M265 D266 R310 F311	M265-D287 PolarHBondContact O-N 3.32Å; M265-D287 VanDerWaalsContact O-N 3.13Å; D266-D287 VanDerWaalsContact O-CB 3.26Å; D266-D287 WeakPolarHBondContact O-CB 3.28Å; D287-R310 WeakPolarHBondContact O-CB 3.29Å; D287-R310 PolarHBondContact O-N 2.78Å; D287-R310 WeakPolarHBondContact OD1-CD 3.05Å; D287-F311 PolarHBondContact O-N 3.24Å
288	R	96.9	Very high	87.6	Confident	74 Å²	74	50.9 Å²	50.9	28%	0.279	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.1	177	-57	-176.6	159.7	-91.2	-5.1	114.4	D266 R267 L268 T290 F311 E337	D266-R288 PolarHBondContact O-N 3.46Å; R267-R288 CarbonylContact C-O 3.51Å; R267-R288 VanDerWaalsContact CA-O 3.32Å; R267-R288 WeakPolarHBondContact CA-O 3.47Å; R267-R288 HydrophobicContact CG-CB 4.11Å; L268-R288 PolarHBondContact N-O 2.95Å; R288-T290 HydrophobicContact CB-CG2 4.17Å; R288-F311 CarbonylContact C-O 3.54Å; R288-F311 WeakPolarHBondContact CA-O 3.34Å; R288-F311 HydrophobicContact CG-CB 4.13Å; R288-F311 HydrophobicContact CG-CD2 3.98Å; R288-F311 HydrophobicContact CG-CG 4.49Å; R288-E337 IonicContact CZ-OE1 3.02Å; R288-E337 IonicContact NH1-OE1 3.84Å; R288-E337 PolarHBondContact NH1-OE1 3.35Å; R288-E337 IonicContact NH1-OE2 3.25Å; R288-E337 IonicContact NH2-OE1 3.85Å
289	L	95.4	Very high	86.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.1	163.4	-169.1	65.2	0	0	0	109.3	L268 L270 F304 V309 F311 I312 S313 F317	L268-L289 HydrophobicContact CB-CD1 4.03Å; L268-L289 HydrophobicContact CD2-CD1 3.91Å; L268-L289 HydrophobicContact CG-CD1 4Å; L270-L289 HydrophobicContact CD2-CD1 3.73Å; L270-L289 HydrophobicContact CD2-CD2 4.34Å; L270-L289 HydrophobicContact CD2-CG 4.35Å; L270-L289 HydrophobicContact CG-CD1 3.96Å; L270-L289 HydrophobicContact CG-CG 4.29Å; L289-F304 HydrophobicContact CD1-CZ 4.2Å; L289-F304 HydrophobicContact CD2-CZ 4.16Å; L289-V309 HydrophobicContact CB-CG1 3.99Å; L289-F311 PolarHBondContact N-O 3.38Å; L289-I312 HydrophobicContact CD2-CG2 4.34Å; L289-S313 WeakPolarHBondContact O-CB 3.43Å; L289-S313 PolarHBondContact O-N 3.03Å; L289-S313 PolarHBondContact O-OG 3.22Å; L289-F317 HydrophobicContact CD2-CE2 4.29Å; L289-F317 HydrophobicContact CD2-CZ 4.19Å
290	T	92.7	Very high	86.4	Confident	18 Å²	18	50.7 Å²	50.7	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.6	-170.4	56	0	0	0	0	112.5	L268 H269 L270 R288	L268-T290 PolarHBondContact O-N 2.99Å; L268-T290 PolarHBondContact O-OG1 3.04Å; H269-T290 PolarHBondContact CD2-O 2.79Å; L270-T290 PolarHBondContact N-O 3.2Å; R288-T290 HydrophobicContact CB-CG2 4.17Å
291	S	85.8	Confident	86.1	Confident	41 Å²	41	49.2 Å²	49.2	29%	0.287	25%	0.251	S	S	.	.			trans	-90.6	-179.8	162.8	63.5	0	0	0	0	110.5	H269 G315 A316	H269-S291 PolarHBondContact CD2-O 3.14Å; S291-G315 WeakPolarHBondContact CB-O 3.22Å; S291-G315 PolarHBondContact OG-O 3.09Å; S291-A316 WeakPolarHBondContact CB-O 3.4Å; S291-A316 PolarHBondContact N-O 2.95Å
292	G	73.5	Confident	85.8	Confident	16 Å²	16	49.4 Å²	49.4	17%	0.165	25%	0.252	C	S	.	.			trans	177.3	-171.2	-168.6	0	0	0	0	0	109.8	H269 L294 N319	H269-G292 PolarHBondContact CD2-N 3.03Å; H269-G292 VanDerWaalsContact CD2-N 3.29Å; H269-G292 WeakPolarHBondContact NE2-CA 3.46Å; H269-G292 PolarHBondContact NE2-N 3.06Å; G292-L294 VanDerWaalsContact C-N 3.29Å; G292-L294 PolarHBondContact O-N 3.34Å; G292-L294 VanDerWaalsContact O-N 3.12Å; G292-N319 PolarHBondContact O-ND2 3.47Å
293	L	73.4	Confident	85.7	Confident	110 Å²	110	47.9 Å²	47.9	58%	0.576	25%	0.245	S	C	*	.	S	Bend	trans	-66.7	-26	-151.6	-66	170.8	0	0	0	115.2	Y216 L249	Y216-L293 HydrophobicContact CE1-CB 4.44Å; Y216-L293 HydrophobicContact CE2-CD1 4.24Å; Y216-L293 WeakPolarHBondContact OH-CB 3.46Å; Y216-L293 VanDerWaalsContact OH-CG 3.28Å; Y216-L293 WeakPolarHBondContact OH-CG 3.14Å; Y216-L293 PolarHBondContact OH-N 3.09Å; L249-L293 HydrophobicContact CD1-CD1 4.36Å
294	L	69.7	Low	85.8	Confident	34 Å²	34	42.6 Å²	42.6	18%	0.178	22%	0.221	C	C	.	.	S	Bend	trans	-98.3	138.9	-173.1	-64.3	168.9	0	0	0	111.9	Y216 I219 L249 G292	Y216-L294 HydrophobicContact CD1-CD1 4.25Å; Y216-L294 HydrophobicContact CE1-CD1 4.48Å; I219-L294 HydrophobicContact CD1-CD1 3.22Å; I219-L294 HydrophobicContact CG1-CD1 4.15Å; L249-L294 HydrophobicContact CB-CD1 4.34Å; L249-L294 HydrophobicContact CB-CD2 4.35Å; G292-L294 VanDerWaalsContact C-N 3.29Å; G292-L294 PolarHBondContact O-N 3.34Å; G292-L294 VanDerWaalsContact O-N 3.12Å
295	T	71	Confident	85.7	Confident	52 Å²	52	43.4 Å²	43.4	32%	0.319	23%	0.225	S	C	.	.			trans	-72.2	126.7	170.5	45.2	0	0	0	0	110.8	H297 N319	T295-H297 PolarHBondContact O-CD2 3.3Å; T295-H297 PolarHBondContact O-N 3.38Å; T295-H297 VanDerWaalsContact O-N 3.13Å; T295-H297 PolarHBondContact OG1-CE1 3.48Å; T295-H297 PolarHBondContact OG1-NE2 3.23Å; T295-N319 CarbonylContact C-O 3.56Å; T295-N319 VanDerWaalsContact CA-O 3.31Å; T295-N319 WeakPolarHBondContact CA-O 3.26Å; T295-N319 HydrophobicContact CG2-CB 4.42Å
296	L	69.9	Low	85.7	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.052	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-77	98.6	169.8	-62.5	167.7	0	0	0	108.2	L270 A274 V299 N319 A320 N321	L270-L296 HydrophobicContact CB-CD1 3.7Å; L270-L296 WeakPolarHBondContact O-CD2 3.49Å; A274-L296 HydrophobicContact CB-CD2 4.11Å; L296-V299 HydrophobicContact CB-CG2 4.31Å; L296-V299 HydrophobicContact CD2-CG2 4.02Å; L296-N319 PolarHBondContact N-O 2.83Å; L296-A320 HydrophobicContact CB-CB 4.33Å; L296-A320 HydrophobicContact CD1-CB 4.02Å; L296-N321 PolarHBondContact O-N 2.89Å
297	H	70.6	Confident	85.7	Confident	92 Å²	92	39.3 Å²	39.3	43%	0.426	21%	0.214	S	C	.	.			trans	-71.6	-43.5	179.4	-67.1	-71	0	0	0	111.9	T295 Q322	T295-H297 PolarHBondContact O-CD2 3.3Å; T295-H297 PolarHBondContact O-N 3.38Å; T295-H297 VanDerWaalsContact O-N 3.13Å; T295-H297 PolarHBondContact OG1-CE1 3.48Å; T295-H297 PolarHBondContact OG1-NE2 3.23Å; H297-Q322 VanDerWaalsContact O-CB 3.27Å; H297-Q322 WeakPolarHBondContact O-CB 3.26Å
298	R	75.2	Confident	85.7	Confident	167 Å²	167	38.9 Å²	38.9	63%	0.63	21%	0.213	S	C	*	.			trans	-154.3	121.4	-180	-162.6	172.9	-175.8	179.3	0.9	111.2	N275	N275-R298 WeakPolarHBondContact CA-O 3.39Å; N275-R298 PolarHBondContact N-O 3.29Å; N275-R298 VanDerWaalsContact N-O 3.14Å
299	V	76.2	Confident	85.8	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.4	167.9	-170.6	0	0	0	0	107.6	F273 L296 V302 Q322 V323 G324	F273-V299 HydrophobicContact CB-CG1 4.35Å; F273-V299 HydrophobicContact CB-CG2 4.23Å; F273-V299 VanDerWaalsContact O-CG2 3.31Å; F273-V299 WeakPolarHBondContact O-CG2 3.25Å; L296-V299 HydrophobicContact CB-CG2 4.31Å; L296-V299 HydrophobicContact CD2-CG2 4.02Å; V299-V302 HydrophobicContact CB-CG2 4.49Å; V299-V302 HydrophobicContact CG1-CG2 3.57Å; V299-Q322 PolarHBondContact N-O 2.82Å; V299-Q322 VanDerWaalsContact N-O 3.08Å; V299-V323 CarbonylContact O-C 3.52Å; V299-V323 WeakPolarHBondContact O-CA 3.34Å; V299-G324 PolarHBondContact O-N 2.84Å
300	A	82.7	Confident	85.9	Confident	50 Å²	50	40.7 Å²	40.7	41%	0.413	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-45.1	-177.9	0	0	0	0	0	111	D277 G324 T325	D277-A300 WeakPolarHBondContact O-CB 3.39Å; D277-A300 PolarHBondContact O-N 3.35Å; A300-G324 CarbonylContact O-C 3.5Å; A300-G324 VanDerWaalsContact O-CA 3.23Å; A300-G324 WeakPolarHBondContact O-CA 3.41Å; A300-G324 PolarHBondContact O-N 2.94Å; A300-T325 PolarHBondContact O-N 3.08Å
301	V	89.9	Confident	86.2	Confident	42 Å²	42	40.9 Å²	40.9	26%	0.255	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.1	-178	-175.9	0	0	0	0	111.4	D277 E278 T279 T325	D277-V301 PolarHBondContact O-N 2.91Å; E278-V301 HydrophobicContact CG-CB 4.4Å; T279-V301 WeakPolarHBondContact CB-O 3.37Å; T279-V301 PolarHBondContact N-O 3.11Å; V301-T325 CarbonylContact C-O 3.58Å; V301-T325 WeakPolarHBondContact CA-O 3.41Å; V301-T325 HydrophobicContact CG1-CG2 4.4Å
302	V	92.5	Very high	86.7	Confident	4 Å²	4	39 Å²	39	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.5	164.1	-174.8	0	0	0	0	108	L270 T279 V299 F304 T325 V326 K327	L270-V302 HydrophobicContact CD2-CG1 4.33Å; T279-V302 HydrophobicContact CG2-CG1 4.48Å; V299-V302 HydrophobicContact CB-CG2 4.49Å; V299-V302 HydrophobicContact CG1-CG2 3.57Å; V302-F304 HydrophobicContact CG1-CD2 4.41Å; V302-F304 HydrophobicContact CG1-CE2 3.6Å; V302-F304 HydrophobicContact CG1-CZ 4.05Å; V302-T325 PolarHBondContact N-O 2.87Å; V302-V326 WeakPolarHBondContact O-CA 3.4Å; V302-K327 PolarHBondContact O-N 3.32Å
303	S	95.2	Very high	87.8	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.3	-175.7	-171	0	0	0	0	111.7	T279 R280 L281 K327	T279-S303 PolarHBondContact O-N 2.83Å; R280-S303 CarbonylContact C-O 3.54Å; R280-S303 WeakPolarHBondContact CA-O 3.14Å; L281-S303 PolarHBondContact N-O 2.81Å; S303-K327 CarbonylContact C-O 3.55Å; S303-K327 WeakPolarHBondContact CA-O 3.43Å
304	F	97.9	Very high	88.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.6	171.3	-60.4	-95.1	0	0	0	108.7	L268 L281 I286 L289 V302 V309 K327 F328 E329 S331	L268-F304 HydrophobicContact CD2-CE1 4.08Å; L268-F304 HydrophobicContact CD2-CZ 4.33Å; L281-F304 HydrophobicContact CB-CD1 3.92Å; L281-F304 HydrophobicContact CB-CE1 4.32Å; L281-F304 HydrophobicContact CD1-CD1 4.05Å; L281-F304 HydrophobicContact CD1-CE1 3.78Å; L281-F304 HydrophobicContact CD1-CZ 4.1Å; L281-F304 HydrophobicContact CD2-CD1 4.37Å; L281-F304 HydrophobicContact CD2-CE1 3.96Å; L281-F304 HydrophobicContact CG-CD1 4.34Å; L281-F304 HydrophobicContact CG-CE1 4.25Å; L281-F304 CarbonylContact O-C 3.54Å; L281-F304 WeakPolarHBondContact O-CA 3.38Å; I286-F304 HydrophobicContact CD1-CD1 4.27Å; I286-F304 HydrophobicContact CD1-CE1 3.8Å; L289-F304 HydrophobicContact CD1-CZ 4.2Å; L289-F304 HydrophobicContact CD2-CZ 4.16Å; V302-F304 HydrophobicContact CG1-CD2 4.41Å; V302-F304 HydrophobicContact CG1-CE2 3.6Å; V302-F304 HydrophobicContact CG1-CZ 4.05Å; F304-V309 HydrophobicContact CD1-CG2 4Å; F304-V309 HydrophobicContact CE1-CG2 4.08Å; F304-K327 PolarHBondContact N-O 3.38Å; F304-F328 HydrophobicContact CB-CD1 3.67Å; F304-F328 HydrophobicContact CB-CE1 4.03Å; F304-F328 HydrophobicContact CB-CG 4.36Å; F304-F328 HydrophobicContact CD1-CE1 4.34Å; F304-F328 AromaticContact CD2-CD1 3.76Å; F304-F328 HydrophobicContact CD2-CD1 3.76Å; F304-F328 AromaticContact CD2-CE1 3.36Å; F304-F328 HydrophobicContact CD2-CE1 3.36Å; F304-F328 HydrophobicContact CD2-CE2 4.21Å; F304-F328 HydrophobicContact CD2-CG 4.32Å; F304-F328 AromaticContact CD2-CZ 3.62Å; F304-F328 HydrophobicContact CD2-CZ 3.62Å; F304-F328 AromaticContact CE2-CE1 3.83Å; F304-F328 HydrophobicContact CE2-CE1 3.83Å; F304-F328 HydrophobicContact CE2-CE2 4.46Å; F304-F328 AromaticContact CE2-CZ 3.73Å; F304-F328 HydrophobicContact CE2-CZ 3.73Å; F304-F328 AromaticContact CG-CD1 3.85Å; F304-F328 HydrophobicContact CG-CD1 3.85Å; F304-F328 AromaticContact CG-CE1 3.66Å; F304-F328 HydrophobicContact CG-CE1 3.66Å; F304-F328 HydrophobicContact CG-CZ 4.37Å; F304-F328 HydrophobicContact CZ-CE1 4.49Å; F304-F328 CarbonylContact O-C 3.53Å; F304-F328 WeakPolarHBondContact O-CA 3.24Å; F304-E329 PolarHBondContact O-N 3.26Å; F304-S331 PolarHBondContact O-OG 2.69Å
305	V	96.8	Very high	89.8	Confident	18 Å²	18	36.3 Å²	36.3	11%	0.109	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.9	-177.5	-173.5	0	0	0	0	109.1	L281 E282 H283 S307 E329	L281-V305 PolarHBondContact O-N 2.72Å; E282-V305 CarbonylContact C-O 3.55Å; E282-V305 VanDerWaalsContact CA-O 3.27Å; E282-V305 WeakPolarHBondContact CA-O 3.33Å; E282-V305 HydrophobicContact CG-CB 4.26Å; H283-V305 PolarHBondContact N-O 3.13Å; V305-S307 PolarHBondContact O-N 3.23Å; V305-S307 PolarHBondContact O-OG 2.95Å; V305-E329 CarbonylContact C-O 3.4Å; V305-E329 VanDerWaalsContact CA-O 3.3Å; V305-E329 WeakPolarHBondContact CA-O 2.83Å; V305-E329 HydrophobicContact CG2-CB 4.49Å
306	G	97.4	Very high	90.7	Very high	27 Å²	27	34 Å²	34	28%	0.278	19%	0.186	S	C	.	.	S	Bend	trans	60.5	18.4	178.8	0	0	0	0	0	113.8	H283 E329 N330 S331	H283-G306 WeakPolarHBondContact CA-O 3.3Å; G306-E329 PolarHBondContact N-O 3.45Å; G306-N330 WeakPolarHBondContact CA-O 3.23Å; G306-N330 PolarHBondContact N-O 2.9Å; G306-S331 PolarHBondContact N-OG 3.23Å
307	S	98.3	Very high	91.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.184	C	C	.	.			trans	-107.4	154.4	-165.6	-66.9	0	0	0	0	111.7	L281 H283 C284 V305 S331 N332	L281-S307 PolarHBondContact O-OG 3.5Å; H283-S307 PolarHBondContact N-OG 3.18Å; C284-S307 PolarHBondContact N-OG 3.17Å; C284-S307 CarbonylContact O-C 3.54Å; C284-S307 WeakPolarHBondContact O-CA 3.39Å; C284-S307 WeakPolarHBondContact O-CB 3.23Å; V305-S307 PolarHBondContact O-N 3.23Å; V305-S307 PolarHBondContact O-OG 2.95Å; S307-S331 PolarHBondContact N-OG 2.99Å; S307-S331 CarbonylContact O-C 3.51Å; S307-S331 WeakPolarHBondContact O-CA 3.45Å; S307-S331 WeakPolarHBondContact O-CB 3.46Å; S307-S331 PolarHBondContact O-OG 3.07Å; S307-N332 PolarHBondContact O-N 2.79Å
308	T	98.5	Very high	92.2	Very high	54 Å²	54	32.3 Å²	32.3	33%	0.331	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.5	172.5	-60.8	0	0	0	0	110	C284 I286 N332	C284-T308 PolarHBondContact O-N 3.31Å; I286-T308 PolarHBondContact N-O 2.86Å; T308-N332 CarbonylContact C-O 3.53Å; T308-N332 VanDerWaalsContact CA-O 3.28Å; T308-N332 WeakPolarHBondContact CA-O 3.36Å; T308-N332 HydrophobicContact CG2-CB 4.32Å
309	V	98.3	Very high	92.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	107.7	170.2	-179.6	0	0	0	0	107.8	I286 L289 F304 I312 F328 N332 V333 E334	I286-V309 HydrophobicContact CB-CG2 4.35Å; I286-V309 HydrophobicContact CD1-CG2 4.25Å; I286-V309 CarbonylContact O-C 3.5Å; I286-V309 VanDerWaalsContact O-CA 3.32Å; I286-V309 WeakPolarHBondContact O-CA 3.49Å; L289-V309 HydrophobicContact CB-CG1 3.99Å; F304-V309 HydrophobicContact CD1-CG2 4Å; F304-V309 HydrophobicContact CE1-CG2 4.08Å; V309-I312 HydrophobicContact CG1-CG1 4.09Å; V309-F328 HydrophobicContact CG2-CE1 4.11Å; V309-N332 PolarHBondContact N-O 2.86Å; V309-V333 VanDerWaalsContact O-CA 3.24Å; V309-V333 WeakPolarHBondContact O-CA 3.32Å; V309-E334 PolarHBondContact O-N 2.95Å
310	R	98.4	Very high	92.4	Very high	111 Å²	111	27.4 Å²	27.4	42%	0.419	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-52.7	-174	-154.2	-173.9	169.4	94.2	14.1	110.9	I286 D287 E334 R335	I286-R310 PolarHBondContact O-N 3.23Å; D287-R310 WeakPolarHBondContact O-CB 3.29Å; D287-R310 PolarHBondContact O-N 2.78Å; D287-R310 WeakPolarHBondContact OD1-CD 3.05Å; R310-E334 HydrophobicContact CG-CB 3.94Å; R310-E334 HydrophobicContact CG-CG 4.37Å; R310-E334 WeakPolarHBondContact CG-OE2 3.36Å; R310-E334 IonicContact CZ-OE1 3.41Å; R310-E334 IonicContact CZ-OE2 3.24Å; R310-E334 IonicContact NE-OE1 2.85Å; R310-E334 PolarHBondContact NE-OE1 3.1Å; R310-E334 IonicContact NE-OE2 3.71Å; R310-E334 PolarHBondContact NE-OE2 2.92Å; R310-E334 VanDerWaalsContact NE-OE2 3.08Å; R310-E334 IonicContact NH1-OE2 2.75Å; R310-E334 PolarHBondContact NH1-OE2 2.85Å; R310-E334 VanDerWaalsContact NH2-CD 3.27Å; R310-E334 IonicContact NH2-OE1 2.73Å; R310-E334 PolarHBondContact NH2-OE1 3.09Å; R310-E334 IonicContact NH2-OE2 3.42Å; R310-E334 PolarHBondContact NH2-OE2 3.11Å; R310-E334 CarbonylContact O-C 3.58Å; R310-E334 WeakPolarHBondContact O-CA 3.24Å; R310-E334 VanDerWaalsContact O-CB 3.28Å; R310-E334 WeakPolarHBondContact O-CB 3.41Å; R310-E334 PolarHBondContact O-N 2.95Å; R310-R335 PolarHBondContact O-N 3.49Å
311	F	98.3	Very high	92.1	Very high	23 Å²	23	29.1 Å²	29.1	10%	0.101	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.6	177.6	-51.6	-84.3	0	0	0	111.8	D287 R288 L289 S313 R335	D287-F311 PolarHBondContact O-N 3.24Å; R288-F311 CarbonylContact C-O 3.54Å; R288-F311 WeakPolarHBondContact CA-O 3.34Å; R288-F311 HydrophobicContact CG-CB 4.13Å; R288-F311 HydrophobicContact CG-CD2 3.98Å; R288-F311 HydrophobicContact CG-CG 4.49Å; L289-F311 PolarHBondContact N-O 3.38Å; F311-S313 PolarHBondContact O-N 3.48Å; F311-R335 WeakPolarHBondContact CA-O 3.44Å; F311-R335 HydrophobicContact CD1-CB 3.86Å; F311-R335 HydrophobicContact CE1-CB 4.21Å
312	I	97.3	Very high	91.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	103.4	157.8	-53.9	-175.4	0	0	0	106.3	L289 V309 A316 F317 F328 V333 R335 I336 E337 S340 F341	L289-I312 HydrophobicContact CD2-CG2 4.34Å; V309-I312 HydrophobicContact CG1-CG1 4.09Å; I312-A316 HydrophobicContact CG2-CB 3.91Å; I312-F317 HydrophobicContact CG2-CE2 4.11Å; I312-F328 HydrophobicContact CD1-CE1 4.41Å; I312-F328 HydrophobicContact CD1-CE2 4.26Å; I312-F328 HydrophobicContact CD1-CZ 3.76Å; I312-V333 HydrophobicContact CD1-CG1 4.05Å; I312-V333 HydrophobicContact CG1-CG1 3.99Å; I312-R335 PolarHBondContact N-O 2.89Å; I312-I336 HydrophobicContact CB-CG2 4.45Å; I312-I336 HydrophobicContact CD1-CD1 4.4Å; I312-I336 HydrophobicContact CD1-CG1 4.11Å; I312-E337 WeakPolarHBondContact O-CB 3.48Å; I312-E337 PolarHBondContact O-N 2.7Å; I312-S340 PolarHBondContact O-OG 2.97Å; I312-F341 HydrophobicContact CD1-CE2 4.24Å; I312-F341 HydrophobicContact CD1-CZ 4.16Å; I312-F341 HydrophobicContact CG2-CE2 4.09Å; I312-F341 HydrophobicContact CG2-CZ 4.34Å
313	S	96.2	Very high	91.1	Very high	11 Å²	11	31.5 Å²	31.5	8%	0.077	19%	0.186	C	C	.	.			trans	-70.7	156.5	-167.9	-48.9	0	0	0	0	112.5	L289 F311 G315 A316 E337 S340	L289-S313 WeakPolarHBondContact O-CB 3.43Å; L289-S313 PolarHBondContact O-N 3.03Å; L289-S313 PolarHBondContact O-OG 3.22Å; F311-S313 PolarHBondContact O-N 3.48Å; S313-G315 PolarHBondContact O-N 2.83Å; S313-A316 WeakPolarHBondContact O-CB 3.37Å; S313-A316 PolarHBondContact O-N 2.92Å; S313-E337 WeakPolarHBondContact CA-OE2 3.19Å; S313-S340 WeakPolarHBondContact O-CA 3.17Å; S313-S340 WeakPolarHBondContact O-CB 3.05Å; S313-S340 PolarHBondContact O-OG 3.09Å; S313-S340 VanDerWaalsContact O-OG 3.12Å
314	S	95	Very high	90.7	Very high	76 Å²	76	31.8 Å²	31.8	53%	0.531	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132.7	173.2	-167.6	0	0	0	0	111.7	A316 E337 S338	S314-A316 PolarHBondContact O-N 2.8Å; S314-E337 PolarHBondContact N-OE2 3.23Å; S314-S338 WeakPolarHBondContact CB-O 3.15Å; S314-S338 PolarHBondContact OG-O 2.83Å
315	G	89.9	Confident	90.4	Very high	17 Å²	17	33 Å²	33	18%	0.175	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	20.7	-178.1	0	0	0	0	0	114.7	S291 S313 F317 A318 G339	S291-G315 WeakPolarHBondContact CB-O 3.22Å; S291-G315 PolarHBondContact OG-O 3.09Å; S313-G315 PolarHBondContact O-N 2.83Å; G315-F317 PolarHBondContact O-N 2.83Å; G315-A318 VanDerWaalsContact O-CB 3.29Å; G315-A318 WeakPolarHBondContact O-CB 3.46Å; G315-A318 PolarHBondContact O-N 2.78Å; G315-G339 PolarHBondContact N-O 2.81Å
316	A	90.6	Very high	90.2	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.017	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.9	177.4	0	0	0	0	0	113.1	L270 S291 I312 S313 S314 S340	L270-A316 WeakPolarHBondContact CD1-O 3.47Å; S291-A316 WeakPolarHBondContact CB-O 3.4Å; S291-A316 PolarHBondContact N-O 2.95Å; I312-A316 HydrophobicContact CG2-CB 3.91Å; S313-A316 WeakPolarHBondContact O-CB 3.37Å; S313-A316 PolarHBondContact O-N 2.92Å; S314-A316 PolarHBondContact O-N 2.8Å; A316-S340 PolarHBondContact N-O 2.95Å
317	F	88.2	Confident	90.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	12.5	178.6	-64	-95.1	0	0	0	114.1	L270 L289 I312 G315 N319 A320 V326 S340 F341 L344	L270-F317 HydrophobicContact CD1-CD1 3.51Å; L270-F317 HydrophobicContact CD1-CD2 4.32Å; L270-F317 HydrophobicContact CD1-CE1 3.29Å; L270-F317 HydrophobicContact CD1-CE2 4.13Å; L270-F317 HydrophobicContact CD1-CG 4.04Å; L270-F317 HydrophobicContact CD1-CZ 3.63Å; L289-F317 HydrophobicContact CD2-CE2 4.29Å; L289-F317 HydrophobicContact CD2-CZ 4.19Å; I312-F317 HydrophobicContact CG2-CE2 4.11Å; G315-F317 PolarHBondContact O-N 2.83Å; F317-N319 PolarHBondContact O-N 2.81Å; F317-N319 VanDerWaalsContact O-N 3.14Å; F317-A320 HydrophobicContact CB-CB 4.3Å; F317-A320 HydrophobicContact CD1-CB 4.47Å; F317-A320 VanDerWaalsContact O-CB 3.26Å; F317-A320 WeakPolarHBondContact O-CB 3.42Å; F317-A320 PolarHBondContact O-N 2.82Å; F317-V326 HydrophobicContact CE1-CG1 4.46Å; F317-V326 HydrophobicContact CE1-CG2 3.89Å; F317-V326 HydrophobicContact CZ-CG1 4.17Å; F317-V326 HydrophobicContact CZ-CG2 4.4Å; F317-S340 PolarHBondContact N-O 3.48Å; F317-F341 AromaticContact CD2-CD1 3.57Å; F317-F341 HydrophobicContact CD2-CD1 3.57Å; F317-F341 AromaticContact CD2-CE1 3.55Å; F317-F341 HydrophobicContact CD2-CE1 3.55Å; F317-F341 HydrophobicContact CD2-CG 4.14Å; F317-F341 HydrophobicContact CD2-CZ 4.1Å; F317-F341 HydrophobicContact CE1-CE1 4.28Å; F317-F341 AromaticContact CE2-CD1 3.76Å; F317-F341 HydrophobicContact CE2-CD1 3.76Å; F317-F341 AromaticContact CE2-CE1 3.19Å; F317-F341 HydrophobicContact CE2-CE1 3.19Å; F317-F341 HydrophobicContact CE2-CE2 4.28Å; F317-F341 HydrophobicContact CE2-CG 4.5Å; F317-F341 AromaticContact CE2-CZ 3.5Å; F317-F341 HydrophobicContact CE2-CZ 3.5Å; F317-F341 VanDerWaalsContact CE2-CZ 3.5Å; F317-F341 HydrophobicContact CG-CD1 4.07Å; F317-F341 HydrophobicContact CG-CE1 4.25Å; F317-F341 HydrophobicContact CZ-CD1 4.37Å; F317-F341 AromaticContact CZ-CE1 3.61Å; F317-F341 HydrophobicContact CZ-CE1 3.61Å; F317-F341 HydrophobicContact CZ-CZ 4.1Å; F317-L344 HydrophobicContact CB-CD1 4.24Å; F317-L344 HydrophobicContact CB-CD2 4.28Å; F317-L344 HydrophobicContact CG-CD2 4.44Å
318	A	83.1	Confident	90.1	Very high	63 Å²	63	33.2 Å²	33.2	52%	0.521	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.1	-173.4	0	0	0	0	0	114.5	G315	G315-A318 VanDerWaalsContact O-CB 3.29Å; G315-A318 WeakPolarHBondContact O-CB 3.46Å; G315-A318 PolarHBondContact O-N 2.78Å
319	N	77.2	Confident	90	Very high	59 Å²	59	33.3 Å²	33.3	32%	0.316	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	19.2	178.7	-70.6	-17.5	0	0	0	112.3	G292 T295 L296 F317	G292-N319 PolarHBondContact O-ND2 3.47Å; T295-N319 CarbonylContact C-O 3.56Å; T295-N319 VanDerWaalsContact CA-O 3.31Å; T295-N319 WeakPolarHBondContact CA-O 3.26Å; T295-N319 HydrophobicContact CG2-CB 4.42Å; L296-N319 PolarHBondContact N-O 2.83Å; F317-N319 PolarHBondContact O-N 2.81Å; F317-N319 VanDerWaalsContact O-N 3.14Å
320	A	79.1	Confident	89.9	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-98.4	106	-178.5	0	0	0	0	0	112.1	L296 F317 V323 L344	L296-A320 HydrophobicContact CB-CB 4.33Å; L296-A320 HydrophobicContact CD1-CB 4.02Å; F317-A320 HydrophobicContact CB-CB 4.3Å; F317-A320 HydrophobicContact CD1-CB 4.47Å; F317-A320 VanDerWaalsContact O-CB 3.26Å; F317-A320 WeakPolarHBondContact O-CB 3.42Å; F317-A320 PolarHBondContact O-N 2.82Å; A320-V323 HydrophobicContact CB-CG2 3.82Å; A320-L344 HydrophobicContact CB-CD1 4.07Å
321	N	75.9	Confident	89.9	Confident	87 Å²	87	32.8 Å²	32.8	47%	0.465	19%	0.192	S	C	.	.	S	Bend	trans	-87.9	-32.9	-175.4	-67.7	-10.8	0	0	0	113	L296	L296-N321 PolarHBondContact O-N 2.89Å
322	Q	77.6	Confident	89.9	Confident	92 Å²	92	34.4 Å²	34.4	43%	0.43	20%	0.202	S	C	.	.			trans	-149.5	110.1	177.1	-166.8	175.8	33.1	0	0	110.1	H297 V299	H297-Q322 VanDerWaalsContact O-CB 3.27Å; H297-Q322 WeakPolarHBondContact O-CB 3.26Å; V299-Q322 PolarHBondContact N-O 2.82Å; V299-Q322 VanDerWaalsContact N-O 3.08Å
323	V	83.4	Confident	90	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.1	173.8	-175.8	0	0	0	0	107.4	V299 A320 V326 V347	V299-V323 CarbonylContact O-C 3.52Å; V299-V323 WeakPolarHBondContact O-CA 3.34Å; A320-V323 HydrophobicContact CB-CG2 3.82Å; V323-V326 HydrophobicContact CG1-CG2 3.57Å; V323-V347 HydrophobicContact CB-CG2 4.19Å; V323-V347 VanDerWaalsContact O-CA 3.23Å; V323-V347 WeakPolarHBondContact O-CA 3.36Å; V323-V347 WeakPolarHBondContact O-CG1 3.33Å
324	G	87.1	Confident	90.1	Very high	11 Å²	11	36.5 Å²	36.5	11%	0.113	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-64.4	179.2	0	0	0	0	0	110.5	V299 A300 D348 Y349	V299-G324 PolarHBondContact O-N 2.84Å; A300-G324 CarbonylContact O-C 3.5Å; A300-G324 VanDerWaalsContact O-CA 3.23Å; A300-G324 WeakPolarHBondContact O-CA 3.41Å; A300-G324 PolarHBondContact O-N 2.94Å; G324-D348 WeakPolarHBondContact O-CA 3.29Å; G324-D348 VanDerWaalsContact O-CB 3.3Å; G324-D348 WeakPolarHBondContact O-CB 3.49Å; G324-D348 PolarHBondContact O-N 3.22Å; G324-Y349 PolarHBondContact O-N 2.62Å
325	T	91.3	Very high	90.2	Very high	24 Å²	24	37.2 Å²	37.2	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131	-177.1	-60.7	0	0	0	0	112	A300 V301 V302 K327 Y349	A300-T325 PolarHBondContact O-N 3.08Å; V301-T325 CarbonylContact C-O 3.58Å; V301-T325 WeakPolarHBondContact CA-O 3.41Å; V301-T325 HydrophobicContact CG1-CG2 4.4Å; V302-T325 PolarHBondContact N-O 2.87Å; T325-K327 HydrophobicContact CG2-CB 3.98Å; T325-Y349 CarbonylContact C-O 3.55Å; T325-Y349 WeakPolarHBondContact CA-O 3.29Å
326	V	93.2	Very high	90.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.3	162.7	-177.9	0	0	0	0	107.6	V302 F317 V323 F328 Y349 V350 M351	V302-V326 WeakPolarHBondContact O-CA 3.4Å; F317-V326 HydrophobicContact CE1-CG1 4.46Å; F317-V326 HydrophobicContact CE1-CG2 3.89Å; F317-V326 HydrophobicContact CZ-CG1 4.17Å; F317-V326 HydrophobicContact CZ-CG2 4.4Å; V323-V326 HydrophobicContact CG1-CG2 3.57Å; V326-F328 HydrophobicContact CG1-CD2 4.37Å; V326-F328 HydrophobicContact CG1-CE2 3.73Å; V326-Y349 PolarHBondContact N-O 3.34Å; V326-V350 CarbonylContact O-C 3.5Å; V326-V350 WeakPolarHBondContact O-CA 3.48Å; V326-M351 PolarHBondContact O-N 2.73Å
327	K	95	Very high	91	Very high	49 Å²	49	38 Å²	38	21%	0.213	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.9	-173.8	178.9	177.8	175	-172.1	0	111.1	V302 S303 F304 T325 E329 M351	V302-K327 PolarHBondContact O-N 3.32Å; S303-K327 CarbonylContact C-O 3.55Å; S303-K327 WeakPolarHBondContact CA-O 3.43Å; F304-K327 PolarHBondContact N-O 3.38Å; T325-K327 HydrophobicContact CG2-CB 3.98Å; K327-E329 WeakPolarHBondContact CE-OE2 3.47Å; K327-E329 IonicContact NZ-OE2 3.25Å; K327-E329 PolarHBondContact NZ-OE2 3.02Å; K327-M351 CarbonylContact C-O 3.56Å; K327-M351 WeakPolarHBondContact CA-O 3.4Å; K327-M351 HydrophobicContact CB-CB 4.34Å; K327-M351 HydrophobicContact CD-SD 4.42Å; K327-M351 HydrophobicContact CG-CB 4.17Å
328	F	97.9	Very high	91.4	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.4	166.4	-63.7	-98.5	0	0	0	107.9	F304 V309 I312 V326 V333 M351 L352 L353 T355	F304-F328 HydrophobicContact CB-CD1 3.67Å; F304-F328 HydrophobicContact CB-CE1 4.03Å; F304-F328 HydrophobicContact CB-CG 4.36Å; F304-F328 HydrophobicContact CD1-CE1 4.34Å; F304-F328 AromaticContact CD2-CD1 3.76Å; F304-F328 HydrophobicContact CD2-CD1 3.76Å; F304-F328 AromaticContact CD2-CE1 3.36Å; F304-F328 HydrophobicContact CD2-CE1 3.36Å; F304-F328 HydrophobicContact CD2-CE2 4.21Å; F304-F328 HydrophobicContact CD2-CG 4.32Å; F304-F328 AromaticContact CD2-CZ 3.62Å; F304-F328 HydrophobicContact CD2-CZ 3.62Å; F304-F328 AromaticContact CE2-CE1 3.83Å; F304-F328 HydrophobicContact CE2-CE1 3.83Å; F304-F328 HydrophobicContact CE2-CE2 4.46Å; F304-F328 AromaticContact CE2-CZ 3.73Å; F304-F328 HydrophobicContact CE2-CZ 3.73Å; F304-F328 AromaticContact CG-CD1 3.85Å; F304-F328 HydrophobicContact CG-CD1 3.85Å; F304-F328 AromaticContact CG-CE1 3.66Å; F304-F328 HydrophobicContact CG-CE1 3.66Å; F304-F328 HydrophobicContact CG-CZ 4.37Å; F304-F328 HydrophobicContact CZ-CE1 4.49Å; F304-F328 CarbonylContact O-C 3.53Å; F304-F328 WeakPolarHBondContact O-CA 3.24Å; V309-F328 HydrophobicContact CG2-CE1 4.11Å; I312-F328 HydrophobicContact CD1-CE1 4.41Å; I312-F328 HydrophobicContact CD1-CE2 4.26Å; I312-F328 HydrophobicContact CD1-CZ 3.76Å; V326-F328 HydrophobicContact CG1-CD2 4.37Å; V326-F328 HydrophobicContact CG1-CE2 3.73Å; F328-V333 HydrophobicContact CD1-CG2 3.94Å; F328-V333 HydrophobicContact CE1-CG2 4.09Å; F328-M351 PolarHBondContact N-O 3.22Å; F328-L352 HydrophobicContact CB-CD2 3.78Å; F328-L352 HydrophobicContact CD2-CD2 3.56Å; F328-L352 HydrophobicContact CE2-CD2 4.46Å; F328-L352 HydrophobicContact CG-CD2 3.92Å; F328-L353 PolarHBondContact O-N 2.03Å; F328-T355 HydrophobicContact CB-CG2 4.28Å; F328-T355 PolarHBondContact O-OG1 3.19Å
329	E	96.5	Very high	91.9	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.257	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.1	-178	-177.4	176.3	171.1	0	0	110	F304 V305 G306 K327 S331 L353	F304-E329 PolarHBondContact O-N 3.26Å; V305-E329 CarbonylContact C-O 3.4Å; V305-E329 VanDerWaalsContact CA-O 3.3Å; V305-E329 WeakPolarHBondContact CA-O 2.83Å; V305-E329 HydrophobicContact CG2-CB 4.49Å; G306-E329 PolarHBondContact N-O 3.45Å; K327-E329 WeakPolarHBondContact CE-OE2 3.47Å; K327-E329 IonicContact NZ-OE2 3.25Å; K327-E329 PolarHBondContact NZ-OE2 3.02Å; E329-S331 PolarHBondContact O-N 2.91Å; E329-S331 PolarHBondContact O-OG 3.15Å; E329-L353 CarbonylContact C-O 3.58Å; E329-L353 VanDerWaalsContact CA-O 3.27Å; E329-L353 WeakPolarHBondContact CA-O 3.45Å; E329-L353 HydrophobicContact CB-CB 4.49Å; E329-L353 HydrophobicContact CG-CB 4.38Å
330	N	97.5	Very high	92.8	Very high	93 Å²	93	34.7 Å²	34.7	50%	0.497	18%	0.18	S	C	.	.	S	Bend	trans	48.5	36.1	-179.5	-65.7	-37.3	0	0	0	112.4	G306 L353 S354	G306-N330 WeakPolarHBondContact CA-O 3.23Å; G306-N330 PolarHBondContact N-O 2.9Å; N330-L353 PolarHBondContact N-O 2.66Å; N330-S354 VanDerWaalsContact CA-O 3.31Å; N330-S354 WeakPolarHBondContact CA-O 3.24Å; N330-S354 WeakPolarHBondContact OD1-CB 3.41Å
331	S	98.3	Very high	93.4	Very high	8 Å²	8	34.6 Å²	34.6	6%	0.056	18%	0.178	C	C	.	.			trans	-112.8	172.3	-168.1	-71	0	0	0	0	111.2	F304 G306 S307 E329 T355 T356	F304-S331 PolarHBondContact O-OG 2.69Å; G306-S331 PolarHBondContact N-OG 3.23Å; S307-S331 PolarHBondContact N-OG 2.99Å; S307-S331 CarbonylContact O-C 3.51Å; S307-S331 WeakPolarHBondContact O-CA 3.45Å; S307-S331 WeakPolarHBondContact O-CB 3.46Å; S307-S331 PolarHBondContact O-OG 3.07Å; E329-S331 PolarHBondContact O-N 2.91Å; E329-S331 PolarHBondContact O-OG 3.15Å; S331-T355 PolarHBondContact N-OG1 3.4Å; S331-T355 CarbonylContact O-C 3.55Å; S331-T355 VanDerWaalsContact O-CA 3.25Å; S331-T355 WeakPolarHBondContact O-CA 3.26Å; S331-T355 WeakPolarHBondContact O-CG2 3.34Å; S331-T356 PolarHBondContact O-N 3.08Å
332	N	98.3	Very high	94.1	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.3	175.6	-179.1	42.1	0	0	0	110.1	S307 T308 V309 T356	S307-N332 PolarHBondContact O-N 2.79Å; T308-N332 CarbonylContact C-O 3.53Å; T308-N332 VanDerWaalsContact CA-O 3.28Å; T308-N332 WeakPolarHBondContact CA-O 3.36Å; T308-N332 HydrophobicContact CG2-CB 4.32Å; V309-N332 PolarHBondContact N-O 2.86Å; N332-T356 WeakPolarHBondContact CA-O 3.42Å; N332-T356 PolarHBondContact OD1-O 3.04Å
333	V	98.4	Very high	94.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107.8	174.6	-177.6	0	0	0	0	108.7	V309 I312 F328 R335 I336 T355 T356 V357 G358	V309-V333 VanDerWaalsContact O-CA 3.24Å; V309-V333 WeakPolarHBondContact O-CA 3.32Å; I312-V333 HydrophobicContact CD1-CG1 4.05Å; I312-V333 HydrophobicContact CG1-CG1 3.99Å; F328-V333 HydrophobicContact CD1-CG2 3.94Å; F328-V333 HydrophobicContact CE1-CG2 4.09Å; V333-R335 PolarHBondContact O-N 3.01Å; V333-I336 HydrophobicContact CG1-CG1 3.86Å; V333-T355 HydrophobicContact CG2-CG2 4.29Å; V333-T356 PolarHBondContact N-O 3.11Å; V333-V357 HydrophobicContact CB-CG2 4.44Å; V333-V357 CarbonylContact O-C 3.59Å; V333-V357 WeakPolarHBondContact O-CA 3.29Å; V333-G358 PolarHBondContact O-N 2.93Å
334	E	98.2	Very high	94.4	Very high	55 Å²	55	36.4 Å²	36.4	26%	0.257	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-39.7	-177.3	176.8	179	151.5	0	0	111.2	V309 R310 G358 A359	V309-E334 PolarHBondContact O-N 2.95Å; R310-E334 HydrophobicContact CG-CB 3.94Å; R310-E334 HydrophobicContact CG-CG 4.37Å; R310-E334 WeakPolarHBondContact CG-OE2 3.36Å; R310-E334 IonicContact CZ-OE1 3.41Å; R310-E334 IonicContact CZ-OE2 3.24Å; R310-E334 IonicContact NE-OE1 2.85Å; R310-E334 PolarHBondContact NE-OE1 3.1Å; R310-E334 IonicContact NE-OE2 3.71Å; R310-E334 PolarHBondContact NE-OE2 2.92Å; R310-E334 VanDerWaalsContact NE-OE2 3.08Å; R310-E334 IonicContact NH1-OE2 2.75Å; R310-E334 PolarHBondContact NH1-OE2 2.85Å; R310-E334 VanDerWaalsContact NH2-CD 3.27Å; R310-E334 IonicContact NH2-OE1 2.73Å; R310-E334 PolarHBondContact NH2-OE1 3.09Å; R310-E334 IonicContact NH2-OE2 3.42Å; R310-E334 PolarHBondContact NH2-OE2 3.11Å; R310-E334 CarbonylContact O-C 3.58Å; R310-E334 WeakPolarHBondContact O-CA 3.24Å; R310-E334 VanDerWaalsContact O-CB 3.28Å; R310-E334 WeakPolarHBondContact O-CB 3.41Å; R310-E334 PolarHBondContact O-N 2.95Å; E334-G358 CarbonylContact O-C 3.58Å; E334-G358 WeakPolarHBondContact O-CA 3.47Å; E334-G358 PolarHBondContact O-N 3.42Å; E334-A359 PolarHBondContact O-N 2.82Å
335	R	98.3	Very high	94.3	Very high	91 Å²	91	39 Å²	39	34%	0.343	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	133	178.2	-169.5	169.7	-64.3	148.3	5.3	113.7	R310 F311 I312 V333 E337 A359 E361	R310-R335 PolarHBondContact O-N 3.49Å; F311-R335 WeakPolarHBondContact CA-O 3.44Å; F311-R335 HydrophobicContact CD1-CB 3.86Å; F311-R335 HydrophobicContact CE1-CB 4.21Å; I312-R335 PolarHBondContact N-O 2.89Å; V333-R335 PolarHBondContact O-N 3.01Å; R335-E337 HydrophobicContact CG-CG 4.41Å; R335-A359 CarbonylContact C-O 3.48Å; R335-A359 WeakPolarHBondContact CA-O 3.42Å; R335-A359 HydrophobicContact CG-CB 4.27Å; R335-E361 VanDerWaalsContact CD-OE1 3.3Å; R335-E361 WeakPolarHBondContact CD-OE1 3.37Å; R335-E361 HydrophobicContact CG-CG 4.22Å
336	I	97.9	Very high	93.6	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	105.9	162.8	-50.8	-175.1	0	0	0	106.9	I312 V333 F341 V357 A359 I360 E361 A364 F365	I312-I336 HydrophobicContact CB-CG2 4.45Å; I312-I336 HydrophobicContact CD1-CD1 4.4Å; I312-I336 HydrophobicContact CD1-CG1 4.11Å; V333-I336 HydrophobicContact CG1-CG1 3.86Å; I336-F341 HydrophobicContact CG2-CD2 4.13Å; I336-F341 HydrophobicContact CG2-CE2 3.83Å; I336-V357 HydrophobicContact CD1-CG1 4.24Å; I336-V357 HydrophobicContact CG1-CG1 4.22Å; I336-A359 PolarHBondContact N-O 3.34Å; I336-I360 HydrophobicContact CB-CG2 4.45Å; I336-I360 HydrophobicContact CD1-CG1 4.23Å; I336-E361 WeakPolarHBondContact O-CB 3.38Å; I336-E361 PolarHBondContact O-N 3.18Å; I336-A364 HydrophobicContact CG2-CB 3.88Å; I336-F365 HydrophobicContact CD1-CE2 4.37Å; I336-F365 HydrophobicContact CD1-CZ 4.19Å; I336-F365 HydrophobicContact CG2-CE2 4.49Å
337	E	98.2	Very high	93.4	Very high	34 Å²	34	40.8 Å²	40.8	16%	0.159	21%	0.212	C	C	.	.			trans	-68.7	166.7	-176.8	-64.3	-178.2	172	0	0	112.4	R288 I312 S313 S314 R335 G339 S340 E361	R288-E337 IonicContact CZ-OE1 3.02Å; R288-E337 IonicContact NH1-OE1 3.84Å; R288-E337 PolarHBondContact NH1-OE1 3.35Å; R288-E337 IonicContact NH1-OE2 3.25Å; R288-E337 IonicContact NH2-OE1 3.85Å; I312-E337 WeakPolarHBondContact O-CB 3.48Å; I312-E337 PolarHBondContact O-N 2.7Å; S313-E337 WeakPolarHBondContact CA-OE2 3.19Å; S314-E337 PolarHBondContact N-OE2 3.23Å; R335-E337 HydrophobicContact CG-CG 4.41Å; E337-G339 PolarHBondContact O-N 2.92Å; E337-S340 PolarHBondContact N-OG 3.45Å; E337-S340 PolarHBondContact O-N 2.83Å; E337-S340 PolarHBondContact O-OG 2.74Å; E337-E361 WeakPolarHBondContact CA-OE2 2.95Å
338	S	97.4	Very high	93.1	Very high	48 Å²	48	42.1 Å²	42.1	34%	0.336	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	128.2	178.6	-59	0	0	0	0	111	S314 S340 E361 T362	S314-S338 WeakPolarHBondContact CB-O 3.15Å; S314-S338 PolarHBondContact OG-O 2.83Å; S338-S340 VanDerWaalsContact C-N 3.31Å; S338-S340 PolarHBondContact O-N 3.25Å; S338-E361 PolarHBondContact N-OE2 3.24Å; S338-E361 WeakPolarHBondContact OG-CB 3.45Å; S338-E361 PolarHBondContact OG-OE2 3.27Å; S338-T362 WeakPolarHBondContact CA-O 3.2Å; S338-T362 VanDerWaalsContact CB-O 3.28Å; S338-T362 WeakPolarHBondContact CB-O 3.32Å; S338-T362 PolarHBondContact OG-O 2.84Å
339	G	94.3	Very high	92.8	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	16.9	178.8	0	0	0	0	0	115.6	G315 E337 F341 R342 R363	G315-G339 PolarHBondContact N-O 2.81Å; E337-G339 PolarHBondContact O-N 2.92Å; G339-F341 VanDerWaalsContact C-N 3.26Å; G339-F341 PolarHBondContact O-N 3.47Å; G339-R342 VanDerWaalsContact O-CB 3.32Å; G339-R342 WeakPolarHBondContact O-CB 3.21Å; G339-R342 PolarHBondContact O-N 2.91Å; G339-R363 VanDerWaalsContact CA-O 3.26Å; G339-R363 WeakPolarHBondContact CA-O 3.37Å; G339-R363 PolarHBondContact N-O 2.93Å
340	S	94.7	Very high	92.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-38.3	179.9	-62.4	0	0	0	0	113.9	I312 S313 A316 F317 E337 S338 A364	I312-S340 PolarHBondContact O-OG 2.97Å; S313-S340 WeakPolarHBondContact O-CA 3.17Å; S313-S340 WeakPolarHBondContact O-CB 3.05Å; S313-S340 PolarHBondContact O-OG 3.09Å; S313-S340 VanDerWaalsContact O-OG 3.12Å; A316-S340 PolarHBondContact N-O 2.95Å; F317-S340 PolarHBondContact N-O 3.48Å; E337-S340 PolarHBondContact N-OG 3.45Å; E337-S340 PolarHBondContact O-N 2.83Å; E337-S340 PolarHBondContact O-OG 2.74Å; S338-S340 VanDerWaalsContact C-N 3.31Å; S338-S340 PolarHBondContact O-N 3.25Å; S340-A364 PolarHBondContact N-O 3.29Å
341	F	92.6	Very high	92.6	Very high	4 Å²	4	41 Å²	41	2%	0.018	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	11.5	178.6	-64.1	-95.2	0	0	0	112.6	I312 F317 I336 G339 H343 L344 A364 F365 C368	I312-F341 HydrophobicContact CD1-CE2 4.24Å; I312-F341 HydrophobicContact CD1-CZ 4.16Å; I312-F341 HydrophobicContact CG2-CE2 4.09Å; I312-F341 HydrophobicContact CG2-CZ 4.34Å; F317-F341 AromaticContact CD2-CD1 3.57Å; F317-F341 HydrophobicContact CD2-CD1 3.57Å; F317-F341 AromaticContact CD2-CE1 3.55Å; F317-F341 HydrophobicContact CD2-CE1 3.55Å; F317-F341 HydrophobicContact CD2-CG 4.14Å; F317-F341 HydrophobicContact CD2-CZ 4.1Å; F317-F341 HydrophobicContact CE1-CE1 4.28Å; F317-F341 AromaticContact CE2-CD1 3.76Å; F317-F341 HydrophobicContact CE2-CD1 3.76Å; F317-F341 AromaticContact CE2-CE1 3.19Å; F317-F341 HydrophobicContact CE2-CE1 3.19Å; F317-F341 HydrophobicContact CE2-CE2 4.28Å; F317-F341 HydrophobicContact CE2-CG 4.5Å; F317-F341 AromaticContact CE2-CZ 3.5Å; F317-F341 HydrophobicContact CE2-CZ 3.5Å; F317-F341 VanDerWaalsContact CE2-CZ 3.5Å; F317-F341 HydrophobicContact CG-CD1 4.07Å; F317-F341 HydrophobicContact CG-CE1 4.25Å; F317-F341 HydrophobicContact CZ-CD1 4.37Å; F317-F341 AromaticContact CZ-CE1 3.61Å; F317-F341 HydrophobicContact CZ-CE1 3.61Å; F317-F341 HydrophobicContact CZ-CZ 4.1Å; I336-F341 HydrophobicContact CG2-CD2 4.13Å; I336-F341 HydrophobicContact CG2-CE2 3.83Å; G339-F341 VanDerWaalsContact C-N 3.26Å; G339-F341 PolarHBondContact O-N 3.47Å; F341-H343 PolarHBondContact O-N 2.76Å; F341-L344 HydrophobicContact CB-CD2 4.47Å; F341-L344 HydrophobicContact CD1-CD2 3.84Å; F341-L344 WeakPolarHBondContact O-CB 3.45Å; F341-L344 PolarHBondContact O-N 3.02Å; F341-L344 VanDerWaalsContact O-N 3.09Å; F341-A364 PolarHBondContact N-O 3.33Å; F341-F365 HydrophobicContact CB-CD1 3.61Å; F341-F365 HydrophobicContact CB-CE1 4.02Å; F341-F365 HydrophobicContact CB-CG 4.37Å; F341-F365 HydrophobicContact CD1-CD1 4.36Å; F341-F365 AromaticContact CD1-CE1 3.99Å; F341-F365 HydrophobicContact CD1-CE1 3.99Å; F341-F365 AromaticContact CD2-CD1 3.7Å; F341-F365 HydrophobicContact CD2-CD1 3.7Å; F341-F365 AromaticContact CD2-CE1 3.26Å; F341-F365 HydrophobicContact CD2-CE1 3.26Å; F341-F365 HydrophobicContact CD2-CE2 4.45Å; F341-F365 HydrophobicContact CD2-CG 4.45Å; F341-F365 AromaticContact CD2-CZ 3.68Å; F341-F365 HydrophobicContact CD2-CZ 3.68Å; F341-F365 HydrophobicContact CE1-CE1 4.26Å; F341-F365 HydrophobicContact CE2-CD1 4.47Å; F341-F365 AromaticContact CE2-CE1 3.6Å; F341-F365 HydrophobicContact CE2-CE1 3.6Å; F341-F365 AromaticContact CE2-CZ 3.73Å; F341-F365 HydrophobicContact CE2-CZ 3.73Å; F341-F365 AromaticContact CG-CD1 3.64Å; F341-F365 HydrophobicContact CG-CD1 3.64Å; F341-F365 AromaticContact CG-CE1 3.48Å; F341-F365 HydrophobicContact CG-CE1 3.48Å; F341-F365 VanDerWaalsContact CG-CE1 3.48Å; F341-F365 HydrophobicContact CG-CZ 4.36Å; F341-F365 HydrophobicContact CZ-CE1 4.09Å; F341-F365 HydrophobicContact CZ-CZ 4.42Å; F341-C368 PolarHBondContact O-SG 2.88Å
342	R	89.7	Confident	92.6	Very high	115 Å²	115	40.9 Å²	40.9	43%	0.434	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	134.9	-170.1	178.4	176	-172.6	177.4	18.2	112.9	G339 L344 E366	G339-R342 VanDerWaalsContact O-CB 3.32Å; G339-R342 WeakPolarHBondContact O-CB 3.21Å; G339-R342 PolarHBondContact O-N 2.91Å; R342-L344 PolarHBondContact O-N 3.43Å; R342-L344 VanDerWaalsContact O-N 3.1Å; R342-E366 WeakPolarHBondContact CA-O 3.46Å; R342-E366 HydrophobicContact CG-CB 4.17Å; R342-E366 IonicContact CZ-OE1 2.88Å; R342-E366 IonicContact CZ-OE2 2.78Å; R342-E366 IonicContact NE-OE1 3.24Å; R342-E366 PolarHBondContact NE-OE1 2.95Å; R342-E366 IonicContact NE-OE2 2.95Å; R342-E366 PolarHBondContact NE-OE2 2.8Å; R342-E366 IonicContact NH2-OE1 3.78Å; R342-E366 PolarHBondContact NH2-OE1 2.86Å; R342-E366 IonicContact NH2-OE2 3.64Å
343	H	83.7	Confident	92.4	Very high	101 Å²	101	40 Å²	40	47%	0.468	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	16.4	179	-58.8	-53	0	0	0	114.9	F341 S345 E366	F341-H343 PolarHBondContact O-N 2.76Å; H343-S345 PolarHBondContact O-N 2.73Å; H343-S345 VanDerWaalsContact O-N 3.11Å; H343-E366 PolarHBondContact N-O 3.13Å
344	L	85.1	Confident	92.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.226	C	C	.	.			trans	-64	116.2	176.1	-175.7	60.3	0	0	0	109.6	F317 A320 F341 R342 V347 C368 T369	F317-L344 HydrophobicContact CB-CD1 4.24Å; F317-L344 HydrophobicContact CB-CD2 4.28Å; F317-L344 HydrophobicContact CG-CD2 4.44Å; A320-L344 HydrophobicContact CB-CD1 4.07Å; F341-L344 HydrophobicContact CB-CD2 4.47Å; F341-L344 HydrophobicContact CD1-CD2 3.84Å; F341-L344 WeakPolarHBondContact O-CB 3.45Å; F341-L344 PolarHBondContact O-N 3.02Å; F341-L344 VanDerWaalsContact O-N 3.09Å; R342-L344 PolarHBondContact O-N 3.43Å; R342-L344 VanDerWaalsContact O-N 3.1Å; L344-V347 HydrophobicContact CD1-CG2 3.89Å; L344-V347 HydrophobicContact CD2-CG2 3.71Å; L344-V347 HydrophobicContact CG-CG2 3.58Å; L344-C368 CarbonylContact O-C 3.49Å; L344-C368 WeakPolarHBondContact O-CA 3.32Å; L344-T369 PolarHBondContact O-N 2.86Å
345	S	83.2	Confident	92.3	Very high	67 Å²	67	40.6 Å²	40.6	47%	0.469	21%	0.214	S	C	.	.			trans	-116	147.2	179.3	58.1	0	0	0	0	110.2	H343	H343-S345 PolarHBondContact O-N 2.73Å; H343-S345 VanDerWaalsContact O-N 3.11Å
346	A	78.3	Confident	92.3	Very high	59 Å²	59	38.6 Å²	38.6	49%	0.488	21%	0.212	S	C	.	.			trans	66.5	58.3	177.4	0	0	0	0	0	114.6
347	V	87.9	Confident	92.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.5	169.1	-179.9	0	0	0	0	111	V323 L344 Y349 V350 V370 N371	V323-V347 HydrophobicContact CB-CG2 4.19Å; V323-V347 VanDerWaalsContact O-CA 3.23Å; V323-V347 WeakPolarHBondContact O-CA 3.36Å; V323-V347 WeakPolarHBondContact O-CG1 3.33Å; L344-V347 HydrophobicContact CD1-CG2 3.89Å; L344-V347 HydrophobicContact CD2-CG2 3.71Å; L344-V347 HydrophobicContact CG-CG2 3.58Å; V347-Y349 WeakPolarHBondContact CG1-O 3.41Å; V347-V350 HydrophobicContact CG1-CG2 3.84Å; V347-V370 HydrophobicContact CB-CG1 4.43Å; V347-V370 HydrophobicContact CB-CG2 4.42Å; V347-V370 HydrophobicContact CG1-CG1 4.3Å; V347-V370 CarbonylContact O-C 3.45Å; V347-V370 WeakPolarHBondContact O-CA 3.26Å; V347-N371 PolarHBondContact O-N 3.05Å
348	D	89.1	Confident	92.3	Very high	77 Å²	77	38 Å²	38	41%	0.412	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-43.3	180	-65.5	-43.1	0	0	0	111.6	G324 N371 N372	G324-D348 WeakPolarHBondContact O-CA 3.29Å; G324-D348 VanDerWaalsContact O-CB 3.3Å; G324-D348 WeakPolarHBondContact O-CB 3.49Å; G324-D348 PolarHBondContact O-N 3.22Å; D348-N371 WeakPolarHBondContact O-CB 3.34Å; D348-N371 PolarHBondContact OD1-ND2 2.85Å; D348-N372 WeakPolarHBondContact O-CB 3.36Å; D348-N372 PolarHBondContact O-N 2.87Å; D348-N372 PolarHBondContact O-ND2 3.49Å
349	Y	92	Very high	92.2	Very high	87 Å²	87	36.4 Å²	36.4	34%	0.341	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	128.1	-176	-65.4	-87.9	0	0	0	112.4	G324 T325 V326 V347 M351 N372 I374	G324-Y349 PolarHBondContact O-N 2.62Å; T325-Y349 CarbonylContact C-O 3.55Å; T325-Y349 WeakPolarHBondContact CA-O 3.29Å; V326-Y349 PolarHBondContact N-O 3.34Å; V347-Y349 WeakPolarHBondContact CG1-O 3.41Å; Y349-M351 HydrophobicContact CD1-CE 3.13Å; Y349-M351 HydrophobicContact CD2-CE 4.44Å; Y349-M351 HydrophobicContact CE1-CE 3.81Å; Y349-M351 HydrophobicContact CG-CE 3.52Å; Y349-N372 CarbonylContact C-O 3.58Å; Y349-N372 WeakPolarHBondContact CA-O 3.45Å; Y349-N372 HydrophobicContact CD1-CB 3.36Å; Y349-N372 HydrophobicContact CE1-CB 3.5Å; Y349-N372 VanDerWaalsContact CE1-CG 3.43Å; Y349-N372 VanDerWaalsContact CE1-ND2 3.34Å; Y349-N372 WeakPolarHBondContact CE1-ND2 3.44Å; Y349-N372 HydrophobicContact CG-CB 4.2Å; Y349-I374 HydrophobicContact CD1-CD1 4.36Å
350	V	93.9	Very high	92.4	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.1	159.4	176.1	0	0	0	0	106.6	V326 V347 V370 N372 F373 I374	V326-V350 CarbonylContact O-C 3.5Å; V326-V350 WeakPolarHBondContact O-CA 3.48Å; V347-V350 HydrophobicContact CG1-CG2 3.84Å; V350-V370 HydrophobicContact CB-CG1 4.08Å; V350-V370 HydrophobicContact CG2-CG1 3.75Å; V350-V370 HydrophobicContact CG2-CG2 3.96Å; V350-N372 PolarHBondContact N-O 3.15Å; V350-F373 HydrophobicContact CB-CD2 4.32Å; V350-F373 HydrophobicContact CB-CE2 4.3Å; V350-F373 HydrophobicContact CG1-CE1 4.27Å; V350-F373 HydrophobicContact CG1-CE2 4.11Å; V350-F373 HydrophobicContact CG1-CZ 3.92Å; V350-I374 PolarHBondContact O-N 3.26Å
351	M	95.6	Very high	92.5	Very high	36 Å²	36	38.9 Å²	38.9	18%	0.177	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.5	-174.1	-58.7	-175.4	-176.4	0	0	111.1	V326 K327 F328 Y349 L353 I374	V326-M351 PolarHBondContact O-N 2.73Å; K327-M351 CarbonylContact C-O 3.56Å; K327-M351 WeakPolarHBondContact CA-O 3.4Å; K327-M351 HydrophobicContact CB-CB 4.34Å; K327-M351 HydrophobicContact CD-SD 4.42Å; K327-M351 HydrophobicContact CG-CB 4.17Å; F328-M351 PolarHBondContact N-O 3.22Å; Y349-M351 HydrophobicContact CD1-CE 3.13Å; Y349-M351 HydrophobicContact CD2-CE 4.44Å; Y349-M351 HydrophobicContact CE1-CE 3.81Å; Y349-M351 HydrophobicContact CG-CE 3.52Å; M351-L353 HydrophobicContact CB-CD2 4.49Å; M351-L353 HydrophobicContact CB-CG 4.32Å; M351-I374 CarbonylContact C-O 3.54Å; M351-I374 VanDerWaalsContact CA-O 3.31Å; M351-I374 WeakPolarHBondContact CA-O 3.06Å; M351-I374 HydrophobicContact CE-CD1 4.22Å; M351-I374 HydrophobicContact CG-CB 4.28Å; M351-I374 HydrophobicContact CG-CD1 4.37Å
352	L	97.5	Very high	92.6	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.5	164	-56.3	179.6	0	0	0	107.1	F328 V357 I374 I375 D376 C378	F328-L352 HydrophobicContact CB-CD2 3.78Å; F328-L352 HydrophobicContact CD2-CD2 3.56Å; F328-L352 HydrophobicContact CE2-CD2 4.46Å; F328-L352 HydrophobicContact CG-CD2 3.92Å; L352-V357 HydrophobicContact CD1-CG2 4.19Å; L352-I374 PolarHBondContact N-O 3.12Å; L352-I375 HydrophobicContact CB-CG1 4.47Å; L352-I375 HydrophobicContact CB-CG2 4.17Å; L352-I375 HydrophobicContact CD1-CD1 4.37Å; L352-I375 HydrophobicContact CD1-CG1 4.21Å; L352-I375 HydrophobicContact CD1-CG2 4.37Å; L352-I375 CarbonylContact O-C 3.43Å; L352-I375 WeakPolarHBondContact O-CA 3.18Å; L352-D376 PolarHBondContact O-N 3.08Å; L352-C378 VanDerWaalsContact C-SG 3.53Å; L352-C378 PolarHBondContact O-SG 2.83Å
353	L	95	Very high	92.9	Very high	39 Å²	39	41.1 Å²	41.1	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123	-177.3	-53.4	-178.9	0	0	0	108.8	F328 E329 N330 M351 T355 I374 D376	F328-L353 PolarHBondContact O-N 2.03Å; E329-L353 CarbonylContact C-O 3.58Å; E329-L353 VanDerWaalsContact CA-O 3.27Å; E329-L353 WeakPolarHBondContact CA-O 3.45Å; E329-L353 HydrophobicContact CB-CB 4.49Å; E329-L353 HydrophobicContact CG-CB 4.38Å; N330-L353 PolarHBondContact N-O 2.66Å; M351-L353 HydrophobicContact CB-CD2 4.49Å; M351-L353 HydrophobicContact CB-CG 4.32Å; L353-T355 PolarHBondContact O-N 2.85Å; L353-T355 PolarHBondContact O-OG1 3.34Å; L353-I374 HydrophobicContact CD2-CG2 4.09Å; L353-D376 CarbonylContact C-O 3.55Å; L353-D376 WeakPolarHBondContact CA-O 3.4Å; L353-D376 HydrophobicContact CD2-CB 3.99Å
354	S	96.7	Very high	93.5	Very high	66 Å²	66	36.3 Å²	36.3	46%	0.462	21%	0.207	S	C	.	.	S	Bend	trans	49.8	36.8	177.2	-59.3	0	0	0	0	113.1	N330 D376 G377	N330-S354 VanDerWaalsContact CA-O 3.31Å; N330-S354 WeakPolarHBondContact CA-O 3.24Å; N330-S354 WeakPolarHBondContact OD1-CB 3.41Å; S354-D376 PolarHBondContact N-O 2.65Å; S354-G377 WeakPolarHBondContact CA-O 3.26Å
355	T	97.2	Very high	94	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.207	C	C	.	.			trans	-109.5	139.4	-171.4	-69.1	0	0	0	0	110.2	F328 S331 V333 L353 V357 C378 T379	F328-T355 HydrophobicContact CB-CG2 4.28Å; F328-T355 PolarHBondContact O-OG1 3.19Å; S331-T355 PolarHBondContact N-OG1 3.4Å; S331-T355 CarbonylContact O-C 3.55Å; S331-T355 VanDerWaalsContact O-CA 3.25Å; S331-T355 WeakPolarHBondContact O-CA 3.26Å; S331-T355 WeakPolarHBondContact O-CG2 3.34Å; V333-T355 HydrophobicContact CG2-CG2 4.29Å; L353-T355 PolarHBondContact O-N 2.85Å; L353-T355 PolarHBondContact O-OG1 3.34Å; T355-V357 HydrophobicContact CG2-CG2 4.14Å; T355-C378 PolarHBondContact N-SG 2.88Å; T355-C378 VanDerWaalsContact N-SG 3.38Å; T355-C378 WeakPolarHBondContact O-CA 3.39Å; T355-C378 WeakPolarHBondContact O-CB 3.38Å; T355-C378 PolarHBondContact O-SG 3.35Å; T355-T379 PolarHBondContact O-N 3.4Å
356	T	98.3	Very high	94.5	Very high	49 Å²	49	34.3 Å²	34.3	30%	0.301	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.4	171.7	-61.3	0	0	0	0	109.3	S331 N332 V333 T379	S331-T356 PolarHBondContact O-N 3.08Å; N332-T356 WeakPolarHBondContact CA-O 3.42Å; N332-T356 PolarHBondContact OD1-O 3.04Å; V333-T356 PolarHBondContact N-O 3.11Å; T356-T379 CarbonylContact C-O 3.5Å; T356-T379 WeakPolarHBondContact CA-O 3.49Å
357	V	98	Very high	95.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.3	175.7	-171.8	0	0	0	0	110	V333 I336 L352 T355 I360 T379 L380 H381	V333-V357 HydrophobicContact CB-CG2 4.44Å; V333-V357 CarbonylContact O-C 3.59Å; V333-V357 WeakPolarHBondContact O-CA 3.29Å; I336-V357 HydrophobicContact CD1-CG1 4.24Å; I336-V357 HydrophobicContact CG1-CG1 4.22Å; L352-V357 HydrophobicContact CD1-CG2 4.19Å; T355-V357 HydrophobicContact CG2-CG2 4.14Å; V357-I360 HydrophobicContact CG1-CD1 4.43Å; V357-I360 HydrophobicContact CG1-CG1 3.77Å; V357-T379 PolarHBondContact N-O 2.8Å; V357-L380 HydrophobicContact CB-CD2 3.7Å; V357-L380 HydrophobicContact CG2-CD2 3.73Å; V357-H381 PolarHBondContact O-N 2.76Å
358	G	97.3	Very high	95.4	Very high	24 Å²	24	34.9 Å²	34.9	25%	0.247	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-43.7	-178.3	0	0	0	0	0	113.6	V333 E334 H381 D382	V333-G358 PolarHBondContact O-N 2.93Å; E334-G358 CarbonylContact O-C 3.58Å; E334-G358 WeakPolarHBondContact O-CA 3.47Å; E334-G358 PolarHBondContact O-N 3.42Å; G358-H381 WeakPolarHBondContact O-CB 3.43Å; G358-D382 PolarHBondContact O-N 2.78Å
359	A	96.6	Very high	95.5	Very high	15 Å²	15	34 Å²	34	12%	0.124	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	139.9	172.3	0	0	0	0	0	111.8	E334 R335 I336 D382	E334-A359 PolarHBondContact O-N 2.82Å; R335-A359 CarbonylContact C-O 3.48Å; R335-A359 WeakPolarHBondContact CA-O 3.42Å; R335-A359 HydrophobicContact CG-CB 4.27Å; I336-A359 PolarHBondContact N-O 3.34Å; A359-D382 CarbonylContact C-O 3.56Å; A359-D382 WeakPolarHBondContact CA-O 3.4Å; A359-D382 HydrophobicContact CB-CB 4.25Å
360	I	97.2	Very high	95.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.8	164.5	-49.5	-178.6	0	0	0	106.7	I336 V357 A364 F365 D382 M383 S384 F388	I336-I360 HydrophobicContact CB-CG2 4.45Å; I336-I360 HydrophobicContact CD1-CG1 4.23Å; V357-I360 HydrophobicContact CG1-CD1 4.43Å; V357-I360 HydrophobicContact CG1-CG1 3.77Å; I360-A364 HydrophobicContact CG2-CB 3.67Å; I360-F365 HydrophobicContact CG2-CD2 4.29Å; I360-F365 HydrophobicContact CG2-CE2 3.91Å; I360-D382 PolarHBondContact N-O 3.01Å; I360-M383 HydrophobicContact CD1-CE 4.49Å; I360-M383 HydrophobicContact CD1-CG 4.35Å; I360-S384 WeakPolarHBondContact O-CB 3.47Å; I360-S384 PolarHBondContact O-N 3.28Å; I360-S384 PolarHBondContact O-OG 2.87Å; I360-S384 VanDerWaalsContact O-OG 3.11Å; I360-F388 HydrophobicContact CD1-CE2 4.28Å; I360-F388 HydrophobicContact CD1-CZ 4.08Å; I360-F388 HydrophobicContact CG2-CE2 4.44Å
361	E	97.1	Very high	95.3	Very high	57 Å²	57	32.8 Å²	32.8	27%	0.266	18%	0.181	S	C	.	.			trans	-72.5	165.1	-177.2	-67.4	-169	166.8	0	0	112.9	R335 I336 E337 S338 R363 A364 S387	R335-E361 VanDerWaalsContact CD-OE1 3.3Å; R335-E361 WeakPolarHBondContact CD-OE1 3.37Å; R335-E361 HydrophobicContact CG-CG 4.22Å; I336-E361 WeakPolarHBondContact O-CB 3.38Å; I336-E361 PolarHBondContact O-N 3.18Å; E337-E361 WeakPolarHBondContact CA-OE2 2.95Å; S338-E361 PolarHBondContact N-OE2 3.24Å; S338-E361 WeakPolarHBondContact OG-CB 3.45Å; S338-E361 PolarHBondContact OG-OE2 3.27Å; E361-R363 PolarHBondContact O-N 3Å; E361-A364 VanDerWaalsContact O-CB 3.29Å; E361-A364 WeakPolarHBondContact O-CB 3.4Å; E361-A364 PolarHBondContact O-N 3.43Å; E361-S387 WeakPolarHBondContact O-CA 3.37Å; E361-S387 WeakPolarHBondContact O-CB 3.31Å
362	T	95.9	Very high	95.1	Very high	47 Å²	47	32.5 Å²	32.5	29%	0.288	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.3	175	-67.6	0	0	0	0	110.9	S338 A364 T385	S338-T362 WeakPolarHBondContact CA-O 3.2Å; S338-T362 VanDerWaalsContact CB-O 3.28Å; S338-T362 WeakPolarHBondContact CB-O 3.32Å; S338-T362 PolarHBondContact OG-O 2.84Å; T362-A364 PolarHBondContact O-N 2.84Å; T362-A364 VanDerWaalsContact O-N 3.17Å; T362-T385 WeakPolarHBondContact CA-O 3.45Å; T362-T385 WeakPolarHBondContact CB-O 3.47Å; T362-T385 VanDerWaalsContact CG2-O 3.31Å; T362-T385 WeakPolarHBondContact CG2-O 3.17Å; T362-T385 PolarHBondContact OG1-O 2.91Å
363	R	95.7	Very high	95	Very high	120 Å²	120	32.2 Å²	32.2	45%	0.453	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	18.3	179.9	-65.4	178.6	-164.3	106.7	-3.2	114.8	G339 E361 F365 E366 G386 M389	G339-R363 VanDerWaalsContact CA-O 3.26Å; G339-R363 WeakPolarHBondContact CA-O 3.37Å; G339-R363 PolarHBondContact N-O 2.93Å; E361-R363 PolarHBondContact O-N 3Å; R363-F365 PolarHBondContact O-N 3.12Å; R363-E366 HydrophobicContact CB-CB 3.93Å; R363-E366 WeakPolarHBondContact CD-OE2 3.34Å; R363-E366 HydrophobicContact CG-CB 4.39Å; R363-E366 WeakPolarHBondContact O-CB 3.4Å; R363-E366 PolarHBondContact O-N 2.93Å; R363-E366 VanDerWaalsContact O-N 3.15Å; R363-G386 WeakPolarHBondContact CA-O 3.01Å; R363-G386 PolarHBondContact N-O 3.35Å; R363-M389 HydrophobicContact CG-SD 4.13Å
364	A	96.4	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-41.7	175	0	0	0	0	0	112.9	I336 S340 F341 I360 E361 T362 S387	I336-A364 HydrophobicContact CG2-CB 3.88Å; S340-A364 PolarHBondContact N-O 3.29Å; F341-A364 PolarHBondContact N-O 3.33Å; I360-A364 HydrophobicContact CG2-CB 3.67Å; E361-A364 VanDerWaalsContact O-CB 3.29Å; E361-A364 WeakPolarHBondContact O-CB 3.4Å; E361-A364 PolarHBondContact O-N 3.43Å; T362-A364 PolarHBondContact O-N 2.84Å; T362-A364 VanDerWaalsContact O-N 3.17Å; A364-S387 PolarHBondContact N-O 2.87Å
365	F	95	Very high	94.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.018	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	37.4	178.7	-59.7	-89.2	0	0	0	112.6	I336 F341 I360 R363 N367 C368 F373 S387 F388 V391	I336-F365 HydrophobicContact CD1-CE2 4.37Å; I336-F365 HydrophobicContact CD1-CZ 4.19Å; I336-F365 HydrophobicContact CG2-CE2 4.49Å; F341-F365 HydrophobicContact CB-CD1 3.61Å; F341-F365 HydrophobicContact CB-CE1 4.02Å; F341-F365 HydrophobicContact CB-CG 4.37Å; F341-F365 HydrophobicContact CD1-CD1 4.36Å; F341-F365 AromaticContact CD1-CE1 3.99Å; F341-F365 HydrophobicContact CD1-CE1 3.99Å; F341-F365 AromaticContact CD2-CD1 3.7Å; F341-F365 HydrophobicContact CD2-CD1 3.7Å; F341-F365 AromaticContact CD2-CE1 3.26Å; F341-F365 HydrophobicContact CD2-CE1 3.26Å; F341-F365 HydrophobicContact CD2-CE2 4.45Å; F341-F365 HydrophobicContact CD2-CG 4.45Å; F341-F365 AromaticContact CD2-CZ 3.68Å; F341-F365 HydrophobicContact CD2-CZ 3.68Å; F341-F365 HydrophobicContact CE1-CE1 4.26Å; F341-F365 HydrophobicContact CE2-CD1 4.47Å; F341-F365 AromaticContact CE2-CE1 3.6Å; F341-F365 HydrophobicContact CE2-CE1 3.6Å; F341-F365 AromaticContact CE2-CZ 3.73Å; F341-F365 HydrophobicContact CE2-CZ 3.73Å; F341-F365 AromaticContact CG-CD1 3.64Å; F341-F365 HydrophobicContact CG-CD1 3.64Å; F341-F365 AromaticContact CG-CE1 3.48Å; F341-F365 HydrophobicContact CG-CE1 3.48Å; F341-F365 VanDerWaalsContact CG-CE1 3.48Å; F341-F365 HydrophobicContact CG-CZ 4.36Å; F341-F365 HydrophobicContact CZ-CE1 4.09Å; F341-F365 HydrophobicContact CZ-CZ 4.42Å; I360-F365 HydrophobicContact CG2-CD2 4.29Å; I360-F365 HydrophobicContact CG2-CE2 3.91Å; R363-F365 PolarHBondContact O-N 3.12Å; F365-N367 PolarHBondContact O-N 3.24Å; F365-C368 WeakPolarHBondContact CA-SG 3.49Å; F365-C368 PolarHBondContact O-N 2.95Å; F365-C368 PolarHBondContact O-SG 3.2Å; F365-F373 AromaticContact CD1-CE2 3.7Å; F365-F373 HydrophobicContact CD1-CE2 3.7Å; F365-F373 AromaticContact CD1-CZ 3.94Å; F365-F373 HydrophobicContact CD1-CZ 3.94Å; F365-F373 AromaticContact CE1-CE2 3.76Å; F365-F373 HydrophobicContact CE1-CE2 3.76Å; F365-F373 AromaticContact CE1-CZ 3.59Å; F365-F373 HydrophobicContact CE1-CZ 3.59Å; F365-F373 HydrophobicContact CE2-CZ 4.24Å; F365-F373 HydrophobicContact CG-CE2 4.27Å; F365-F373 HydrophobicContact CG-CZ 4.4Å; F365-F373 HydrophobicContact CZ-CE2 4.37Å; F365-F373 AromaticContact CZ-CZ 3.76Å; F365-F373 HydrophobicContact CZ-CZ 3.76Å; F365-S387 PolarHBondContact N-O 2.91Å; F365-F388 HydrophobicContact CB-CD1 4.37Å; F365-F388 AromaticContact CD2-CD1 3.97Å; F365-F388 HydrophobicContact CD2-CD1 3.97Å; F365-F388 AromaticContact CD2-CE1 3.77Å; F365-F388 HydrophobicContact CD2-CE1 3.77Å; F365-F388 HydrophobicContact CD2-CZ 4.15Å; F365-F388 AromaticContact CE2-CE1 3.98Å; F365-F388 HydrophobicContact CE2-CE1 3.98Å; F365-F388 HydrophobicContact CE2-CZ 4.12Å; F365-F388 HydrophobicContact CG-CD1 4.29Å; F365-F388 HydrophobicContact CG-CE1 4.35Å; F365-V391 HydrophobicContact CB-CG2 3.74Å; F365-V391 WeakPolarHBondContact O-CG2 3.46Å
366	E	94.3	Very high	94.7	Very high	24 Å²	24	29.7 Å²	29.7	11%	0.112	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	122.6	-177.9	-176.4	-169	152.2	0	0	112.6	R342 H343 R363 C368 M389	R342-E366 WeakPolarHBondContact CA-O 3.46Å; R342-E366 HydrophobicContact CG-CB 4.17Å; R342-E366 IonicContact CZ-OE1 2.88Å; R342-E366 IonicContact CZ-OE2 2.78Å; R342-E366 IonicContact NE-OE1 3.24Å; R342-E366 PolarHBondContact NE-OE1 2.95Å; R342-E366 IonicContact NE-OE2 2.95Å; R342-E366 PolarHBondContact NE-OE2 2.8Å; R342-E366 IonicContact NH2-OE1 3.78Å; R342-E366 PolarHBondContact NH2-OE1 2.86Å; R342-E366 IonicContact NH2-OE2 3.64Å; H343-E366 PolarHBondContact N-O 3.13Å; R363-E366 HydrophobicContact CB-CB 3.93Å; R363-E366 WeakPolarHBondContact CD-OE2 3.34Å; R363-E366 HydrophobicContact CG-CB 4.39Å; R363-E366 WeakPolarHBondContact O-CB 3.4Å; R363-E366 PolarHBondContact O-N 2.93Å; R363-E366 VanDerWaalsContact O-N 3.15Å; E366-C368 PolarHBondContact O-N 3.22Å; E366-M389 WeakPolarHBondContact CA-O 3.16Å
367	N	93.3	Very high	94.4	Very high	71 Å²	71	28.9 Å²	28.9	38%	0.38	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.6	174.6	-67	-42.5	0	0	0	113.9	F365 M389	F365-N367 PolarHBondContact O-N 3.24Å; N367-M389 PolarHBondContact N-O 3.48Å
368	C	91.5	Very high	94.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.162	C	C	.	.			trans	-79.2	146.4	175.1	-55.9	0	0	0	0	111.9	F341 L344 F365 E366 V370 V391 R392	F341-C368 PolarHBondContact O-SG 2.88Å; L344-C368 CarbonylContact O-C 3.49Å; L344-C368 WeakPolarHBondContact O-CA 3.32Å; F365-C368 WeakPolarHBondContact CA-SG 3.49Å; F365-C368 PolarHBondContact O-N 2.95Å; F365-C368 PolarHBondContact O-SG 3.2Å; E366-C368 PolarHBondContact O-N 3.22Å; C368-V370 HydrophobicContact CB-CG2 4.37Å; C368-V391 HydrophobicContact CB-CG2 4.48Å; C368-V391 CarbonylContact O-C 3.53Å; C368-V391 WeakPolarHBondContact O-CA 3.37Å; C368-R392 PolarHBondContact O-N 2.91Å
369	T	91.4	Very high	94.3	Very high	59 Å²	59	29.8 Å²	29.8	36%	0.362	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110	168.1	-53.8	0	0	0	0	109.8	L344 R392	L344-T369 PolarHBondContact O-N 2.86Å; T369-R392 WeakPolarHBondContact CA-O 3.27Å; T369-R392 HydrophobicContact CG2-CB 4.3Å
370	V	91.7	Very high	94.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.4	-176.5	-178.1	0	0	0	0	108.4	V347 V350 C368 N372 F373 R392 S393	V347-V370 HydrophobicContact CB-CG1 4.43Å; V347-V370 HydrophobicContact CB-CG2 4.42Å; V347-V370 HydrophobicContact CG1-CG1 4.3Å; V347-V370 CarbonylContact O-C 3.45Å; V347-V370 WeakPolarHBondContact O-CA 3.26Å; V350-V370 HydrophobicContact CB-CG1 4.08Å; V350-V370 HydrophobicContact CG2-CG1 3.75Å; V350-V370 HydrophobicContact CG2-CG2 3.96Å; C368-V370 HydrophobicContact CB-CG2 4.37Å; V370-N372 WeakPolarHBondContact CG1-O 3.47Å; V370-F373 HydrophobicContact CB-CD2 4.35Å; V370-F373 HydrophobicContact CG1-CD2 4.43Å; V370-F373 HydrophobicContact CG2-CD2 4.27Å; V370-R392 PolarHBondContact N-O 3.11Å; V370-S393 WeakPolarHBondContact O-CA 3.3Å; V370-S393 WeakPolarHBondContact O-CB 3.31Å; V370-S393 PolarHBondContact O-OG 3.41Å
371	N	90.2	Very high	94	Very high	63 Å²	63	33 Å²	33	34%	0.337	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-46.9	-179.9	-68.2	-30.2	0	0	0	111.6	V347 D348 S393 V394 L395	V347-N371 PolarHBondContact O-N 3.05Å; D348-N371 WeakPolarHBondContact O-CB 3.34Å; D348-N371 PolarHBondContact OD1-ND2 2.85Å; N371-S393 PolarHBondContact O-OG 2.96Å; N371-S393 VanDerWaalsContact O-OG 3.08Å; N371-V394 WeakPolarHBondContact O-CA 3.22Å; N371-V394 VanDerWaalsContact O-CB 3.31Å; N371-V394 WeakPolarHBondContact O-CB 3.39Å; N371-V394 PolarHBondContact O-N 3.13Å; N371-L395 PolarHBondContact O-N 2.92Å
372	N	91.4	Very high	93.8	Very high	30 Å²	30	32.2 Å²	32.2	16%	0.16	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	113.2	-179.2	-55	-87.3	0	0	0	110.4	D348 Y349 V350 V370 I374 L395	D348-N372 WeakPolarHBondContact O-CB 3.36Å; D348-N372 PolarHBondContact O-N 2.87Å; D348-N372 PolarHBondContact O-ND2 3.49Å; Y349-N372 CarbonylContact C-O 3.58Å; Y349-N372 WeakPolarHBondContact CA-O 3.45Å; Y349-N372 HydrophobicContact CD1-CB 3.36Å; Y349-N372 HydrophobicContact CE1-CB 3.5Å; Y349-N372 VanDerWaalsContact CE1-CG 3.43Å; Y349-N372 VanDerWaalsContact CE1-ND2 3.34Å; Y349-N372 WeakPolarHBondContact CE1-ND2 3.44Å; Y349-N372 HydrophobicContact CG-CB 4.2Å; V350-N372 PolarHBondContact N-O 3.15Å; V370-N372 WeakPolarHBondContact CG1-O 3.47Å; N372-I374 HydrophobicContact CB-CD1 4.49Å; N372-L395 CarbonylContact C-O 3.51Å; N372-L395 WeakPolarHBondContact CA-O 3.28Å
373	F	94.8	Very high	93.6	Very high	1 Å²	1	30 Å²	30	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.2	176.1	-156.1	-58.7	0	0	0	108.3	V350 F365 V370 I375 F388 L395 C396 R397	V350-F373 HydrophobicContact CB-CD2 4.32Å; V350-F373 HydrophobicContact CB-CE2 4.3Å; V350-F373 HydrophobicContact CG1-CE1 4.27Å; V350-F373 HydrophobicContact CG1-CE2 4.11Å; V350-F373 HydrophobicContact CG1-CZ 3.92Å; F365-F373 AromaticContact CD1-CE2 3.7Å; F365-F373 HydrophobicContact CD1-CE2 3.7Å; F365-F373 AromaticContact CD1-CZ 3.94Å; F365-F373 HydrophobicContact CD1-CZ 3.94Å; F365-F373 AromaticContact CE1-CE2 3.76Å; F365-F373 HydrophobicContact CE1-CE2 3.76Å; F365-F373 AromaticContact CE1-CZ 3.59Å; F365-F373 HydrophobicContact CE1-CZ 3.59Å; F365-F373 HydrophobicContact CE2-CZ 4.24Å; F365-F373 HydrophobicContact CG-CE2 4.27Å; F365-F373 HydrophobicContact CG-CZ 4.4Å; F365-F373 HydrophobicContact CZ-CE2 4.37Å; F365-F373 AromaticContact CZ-CZ 3.76Å; F365-F373 HydrophobicContact CZ-CZ 3.76Å; V370-F373 HydrophobicContact CB-CD2 4.35Å; V370-F373 HydrophobicContact CG1-CD2 4.43Å; V370-F373 HydrophobicContact CG2-CD2 4.27Å; F373-I375 HydrophobicContact CD1-CD1 4.32Å; F373-I375 HydrophobicContact CD1-CG1 4.04Å; F373-I375 HydrophobicContact CE1-CD1 3.75Å; F373-I375 HydrophobicContact CE1-CG1 3.74Å; F373-F388 AromaticContact CE1-CE1 3.87Å; F373-F388 HydrophobicContact CE1-CE1 3.87Å; F373-F388 HydrophobicContact CE2-CD1 4.5Å; F373-F388 HydrophobicContact CE2-CE1 4.17Å; F373-F388 HydrophobicContact CZ-CD1 4.33Å; F373-F388 AromaticContact CZ-CE1 3.58Å; F373-F388 HydrophobicContact CZ-CE1 3.58Å; F373-L395 PolarHBondContact N-O 3.24Å; F373-C396 CarbonylContact O-C 3.55Å; F373-C396 WeakPolarHBondContact O-CA 3.33Å; F373-R397 PolarHBondContact O-N 2.83Å
374	I	93.9	Very high	93.4	Very high	23 Å²	23	25.4 Å²	25.4	12%	0.118	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.7	-172.2	-57.9	173	0	0	0	109.4	Y349 V350 M351 L352 L353 N372 D376 R397	Y349-I374 HydrophobicContact CD1-CD1 4.36Å; V350-I374 PolarHBondContact O-N 3.26Å; M351-I374 CarbonylContact C-O 3.54Å; M351-I374 VanDerWaalsContact CA-O 3.31Å; M351-I374 WeakPolarHBondContact CA-O 3.06Å; M351-I374 HydrophobicContact CE-CD1 4.22Å; M351-I374 HydrophobicContact CG-CB 4.28Å; M351-I374 HydrophobicContact CG-CD1 4.37Å; L352-I374 PolarHBondContact N-O 3.12Å; L353-I374 HydrophobicContact CD2-CG2 4.09Å; N372-I374 HydrophobicContact CB-CD1 4.49Å; I374-D376 HydrophobicContact CG2-CB 4.34Å; I374-R397 CarbonylContact C-O 3.57Å; I374-R397 VanDerWaalsContact CA-O 3.32Å; I374-R397 WeakPolarHBondContact CA-O 3.31Å; I374-R397 HydrophobicContact CG1-CB 4.35Å
375	I	96.7	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	98.1	173.1	-50.8	-180	0	0	0	107.2	L352 F373 C378 L380 F388 R397 I398 V399 N401	L352-I375 HydrophobicContact CB-CG1 4.47Å; L352-I375 HydrophobicContact CB-CG2 4.17Å; L352-I375 HydrophobicContact CD1-CD1 4.37Å; L352-I375 HydrophobicContact CD1-CG1 4.21Å; L352-I375 HydrophobicContact CD1-CG2 4.37Å; L352-I375 CarbonylContact O-C 3.43Å; L352-I375 WeakPolarHBondContact O-CA 3.18Å; F373-I375 HydrophobicContact CD1-CD1 4.32Å; F373-I375 HydrophobicContact CD1-CG1 4.04Å; F373-I375 HydrophobicContact CE1-CD1 3.75Å; F373-I375 HydrophobicContact CE1-CG1 3.74Å; I375-C378 HydrophobicContact CG2-CB 3.96Å; I375-L380 HydrophobicContact CG2-CD1 4.1Å; I375-L380 HydrophobicContact CG2-CD2 4.37Å; I375-F388 HydrophobicContact CD1-CZ 4.22Å; I375-R397 PolarHBondContact N-O 2.88Å; I375-I398 HydrophobicContact CB-CG1 4.32Å; I375-I398 HydrophobicContact CB-CG2 4.47Å; I375-I398 HydrophobicContact CD1-CD1 4.42Å; I375-I398 HydrophobicContact CD1-CG1 4.31Å; I375-I398 HydrophobicContact CG1-CG1 4.45Å; I375-I398 CarbonylContact O-C 3.56Å; I375-I398 VanDerWaalsContact O-CA 3.25Å; I375-I398 WeakPolarHBondContact O-CA 3.44Å; I375-V399 PolarHBondContact O-N 3.07Å; I375-N401 PolarHBondContact O-ND2 2.82Å; I375-N401 PolarHBondContact O-OD1 3.38Å
376	D	91.8	Very high	93.1	Very high	31 Å²	31	27.7 Å²	27.7	17%	0.166	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.4	-173.3	-78.8	17.9	0	0	0	111.3	L352 L353 S354 I374 C378 R397 V399	L352-D376 PolarHBondContact O-N 3.08Å; L353-D376 CarbonylContact C-O 3.55Å; L353-D376 WeakPolarHBondContact CA-O 3.4Å; L353-D376 HydrophobicContact CD2-CB 3.99Å; S354-D376 PolarHBondContact N-O 2.65Å; I374-D376 HydrophobicContact CG2-CB 4.34Å; D376-C378 PolarHBondContact O-N 2.97Å; D376-C378 VanDerWaalsContact O-N 3.13Å; D376-C378 PolarHBondContact O-SG 2.84Å; D376-C378 VanDerWaalsContact O-SG 3.32Å; D376-R397 IonicContact OD1-NE 2.77Å; D376-R397 PolarHBondContact OD1-NE 2.9Å; D376-R397 IonicContact OD2-CZ 2.7Å; D376-R397 VanDerWaalsContact OD2-CZ 3.24Å; D376-R397 IonicContact OD2-NE 3.93Å; D376-R397 PolarHBondContact OD2-NE 2.96Å; D376-R397 IonicContact OD2-NH2 3.74Å; D376-R397 PolarHBondContact OD2-NH2 2.95Å; D376-V399 CarbonylContact C-O 3.57Å; D376-V399 VanDerWaalsContact CA-O 3.24Å; D376-V399 WeakPolarHBondContact CA-O 3.35Å; D376-V399 PolarHBondContact OD1-N 2.88Å
377	G	92.9	Very high	93.1	Very high	32 Å²	32	26.6 Å²	26.6	33%	0.33	16%	0.155	S	C	.	.	S	Bend	trans	64.5	16.9	173.8	0	0	0	0	0	115.1	S354 V399 E400 N401	S354-G377 WeakPolarHBondContact CA-O 3.26Å; G377-V399 PolarHBondContact N-O 3.01Å; G377-E400 VanDerWaalsContact CA-O 3.3Å; G377-E400 WeakPolarHBondContact CA-O 3.43Å; G377-N401 PolarHBondContact N-OD1 3.46Å
378	C	96.7	Very high	93.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	14%	0.138	C	C	.	.			trans	-87.5	158.6	-173.5	-65.2	0	0	0	0	113	L352 T355 I375 D376 L380 N401 N402	L352-C378 VanDerWaalsContact C-SG 3.53Å; L352-C378 PolarHBondContact O-SG 2.83Å; T355-C378 PolarHBondContact N-SG 2.88Å; T355-C378 VanDerWaalsContact N-SG 3.38Å; T355-C378 WeakPolarHBondContact O-CA 3.39Å; T355-C378 WeakPolarHBondContact O-CB 3.38Å; T355-C378 PolarHBondContact O-SG 3.35Å; I375-C378 HydrophobicContact CG2-CB 3.96Å; D376-C378 PolarHBondContact O-N 2.97Å; D376-C378 VanDerWaalsContact O-N 3.13Å; D376-C378 PolarHBondContact O-SG 2.84Å; D376-C378 VanDerWaalsContact O-SG 3.32Å; C378-L380 HydrophobicContact CB-CD2 3.96Å; C378-L380 HydrophobicContact CB-CG 4.32Å; C378-N401 WeakPolarHBondContact CA-OD1 3.41Å; C378-N401 WeakPolarHBondContact CB-OD1 3.43Å; C378-N401 PolarHBondContact N-OD1 2.79Å; C378-N401 CarbonylContact O-C 3.59Å; C378-N401 VanDerWaalsContact O-CA 3.23Å; C378-N401 WeakPolarHBondContact O-CA 3.21Å; C378-N401 WeakPolarHBondContact O-CB 3.45Å; C378-N402 PolarHBondContact O-N 2.91Å
379	T	95.7	Very high	93.4	Very high	43 Å²	43	25.9 Å²	25.9	26%	0.264	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.3	165.9	-62.8	0	0	0	0	108.9	T355 T356 V357 N402	T355-T379 PolarHBondContact O-N 3.4Å; T356-T379 CarbonylContact C-O 3.5Å; T356-T379 WeakPolarHBondContact CA-O 3.49Å; V357-T379 PolarHBondContact N-O 2.8Å; T379-N402 CarbonylContact C-O 3.55Å; T379-N402 WeakPolarHBondContact CA-O 3.39Å
380	L	94.4	Very high	93.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.6	-176.1	-53	179.4	0	0	0	109.4	V357 I375 C378 M383 N402 I403 N404	V357-L380 HydrophobicContact CB-CD2 3.7Å; V357-L380 HydrophobicContact CG2-CD2 3.73Å; I375-L380 HydrophobicContact CG2-CD1 4.1Å; I375-L380 HydrophobicContact CG2-CD2 4.37Å; C378-L380 HydrophobicContact CB-CD2 3.96Å; C378-L380 HydrophobicContact CB-CG 4.32Å; L380-M383 HydrophobicContact CB-CG 4.35Å; L380-M383 HydrophobicContact CB-SD 4.44Å; L380-M383 HydrophobicContact CD1-CE 4.3Å; L380-M383 HydrophobicContact CD1-CG 4.38Å; L380-M383 HydrophobicContact CD1-SD 3.65Å; L380-N402 PolarHBondContact N-O 2.78Å; L380-I403 HydrophobicContact CB-CG1 4.35Å; L380-I403 HydrophobicContact CD1-CD1 4.33Å; L380-I403 HydrophobicContact CD1-CG1 4.16Å; L380-I403 CarbonylContact O-C 3.53Å; L380-I403 WeakPolarHBondContact O-CA 3.4Å; L380-N404 PolarHBondContact O-N 3.36Å
381	H	93.9	Very high	93.7	Very high	83 Å²	83	23.2 Å²	23.2	38%	0.384	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-56.1	-175.6	-69.8	-76.3	0	0	0	112.3	V357 G358 N404 K405	V357-H381 PolarHBondContact O-N 2.76Å; G358-H381 WeakPolarHBondContact O-CB 3.43Å; H381-N404 WeakPolarHBondContact O-CB 3.32Å; H381-K405 WeakPolarHBondContact O-CB 3.45Å; H381-K405 PolarHBondContact O-N 3.21Å
382	D	91.6	Very high	93.9	Very high	40 Å²	40	27.6 Å²	27.6	21%	0.214	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.7	176.5	-162.1	-16.6	0	0	0	112	G358 A359 I360 K405	G358-D382 PolarHBondContact O-N 2.78Å; A359-D382 CarbonylContact C-O 3.56Å; A359-D382 WeakPolarHBondContact CA-O 3.4Å; A359-D382 HydrophobicContact CB-CB 4.25Å; I360-D382 PolarHBondContact N-O 3.01Å; D382-K405 IonicContact OD1-NZ 3.79Å; D382-K405 PolarHBondContact OD1-NZ 2.67Å; D382-K405 IonicContact OD2-NZ 2.81Å; D382-K405 PolarHBondContact OD2-NZ 3.42Å
383	M	92.2	Very high	94	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	102.2	166.4	-61	179.2	77.3	0	0	108.8	I360 L380 F388 I403 K405 L406 S407 L410	I360-M383 HydrophobicContact CD1-CE 4.49Å; I360-M383 HydrophobicContact CD1-CG 4.35Å; L380-M383 HydrophobicContact CB-CG 4.35Å; L380-M383 HydrophobicContact CB-SD 4.44Å; L380-M383 HydrophobicContact CD1-CE 4.3Å; L380-M383 HydrophobicContact CD1-CG 4.38Å; L380-M383 HydrophobicContact CD1-SD 3.65Å; M383-F388 HydrophobicContact CE-CD2 4.37Å; M383-F388 HydrophobicContact CE-CE2 3.45Å; M383-F388 VanDerWaalsContact CE-CE2 3.45Å; M383-F388 HydrophobicContact CE-CZ 4Å; M383-I403 HydrophobicContact SD-CD1 4.28Å; M383-I403 HydrophobicContact SD-CG2 4Å; M383-K405 PolarHBondContact N-O 3.06Å; M383-L406 HydrophobicContact SD-CD1 3.84Å; M383-S407 WeakPolarHBondContact O-CB 3.34Å; M383-S407 PolarHBondContact O-N 2.98Å; M383-S407 VanDerWaalsContact O-N 3.17Å; M383-S407 PolarHBondContact O-OG 2.64Å; M383-L410 HydrophobicContact CB-CD1 3.82Å; M383-L410 HydrophobicContact CE-CD1 4.15Å; M383-L410 HydrophobicContact CE-CD2 3.76Å
384	S	92.2	Very high	93.9	Very high	25 Å²	25	30.7 Å²	30.7	18%	0.175	17%	0.166	C	C	.	.			trans	-70.3	155.7	-176	-62.7	0	0	0	0	112.3	I360 G386 S387	I360-S384 WeakPolarHBondContact O-CB 3.47Å; I360-S384 PolarHBondContact O-N 3.28Å; I360-S384 PolarHBondContact O-OG 2.87Å; I360-S384 VanDerWaalsContact O-OG 3.11Å; S384-G386 PolarHBondContact O-N 3.46Å; S384-S387 VanDerWaalsContact O-CB 3.3Å; S384-S387 WeakPolarHBondContact O-CB 3.12Å; S384-S387 PolarHBondContact O-N 3.11Å; S384-S387 PolarHBondContact O-OG 3.19Å
385	T	91.7	Very high	93.7	Very high	51 Å²	51	31.6 Å²	31.6	31%	0.313	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.9	174.6	-72.2	0	0	0	0	111.1	T362 S387 S407 T408 R409	T362-T385 WeakPolarHBondContact CA-O 3.45Å; T362-T385 WeakPolarHBondContact CB-O 3.47Å; T362-T385 VanDerWaalsContact CG2-O 3.31Å; T362-T385 WeakPolarHBondContact CG2-O 3.17Å; T362-T385 PolarHBondContact OG1-O 2.91Å; T385-S387 PolarHBondContact O-N 2.73Å; T385-S407 WeakPolarHBondContact OG1-CB 3.47Å; T385-T408 WeakPolarHBondContact CB-O 3.47Å; T385-T408 WeakPolarHBondContact CG2-O 3.22Å; T385-T408 PolarHBondContact OG1-O 2.66Å; T385-R409 HydrophobicContact CG2-CB 4.16Å
386	G	92.7	Very high	93.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	20.3	178.2	0	0	0	0	0	114.2	R363 S384 F388 M389 R409	R363-G386 WeakPolarHBondContact CA-O 3.01Å; R363-G386 PolarHBondContact N-O 3.35Å; S384-G386 PolarHBondContact O-N 3.46Å; G386-F388 PolarHBondContact O-N 3.4Å; G386-M389 WeakPolarHBondContact O-CB 3.38Å; G386-M389 PolarHBondContact O-N 2.9Å; G386-R409 WeakPolarHBondContact CA-O 3.45Å; G386-R409 PolarHBondContact N-O 3.34Å
387	S	94.9	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.3	175.8	42.8	0	0	0	0	112.5	E361 A364 F365 S384 T385 L410	E361-S387 WeakPolarHBondContact O-CA 3.37Å; E361-S387 WeakPolarHBondContact O-CB 3.31Å; A364-S387 PolarHBondContact N-O 2.87Å; F365-S387 PolarHBondContact N-O 2.91Å; S384-S387 VanDerWaalsContact O-CB 3.3Å; S384-S387 WeakPolarHBondContact O-CB 3.12Å; S384-S387 PolarHBondContact O-N 3.11Å; S384-S387 PolarHBondContact O-OG 3.19Å; T385-S387 PolarHBondContact O-N 2.73Å; S387-L410 WeakPolarHBondContact OG-CD1 3.37Å
388	F	95	Very high	93.7	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.022	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	31.5	177.8	-61.9	-96.9	0	0	0	112.5	I360 F365 F373 I375 M383 G386 G390 V391 L410 L411	I360-F388 HydrophobicContact CD1-CE2 4.28Å; I360-F388 HydrophobicContact CD1-CZ 4.08Å; I360-F388 HydrophobicContact CG2-CE2 4.44Å; F365-F388 HydrophobicContact CB-CD1 4.37Å; F365-F388 AromaticContact CD2-CD1 3.97Å; F365-F388 HydrophobicContact CD2-CD1 3.97Å; F365-F388 AromaticContact CD2-CE1 3.77Å; F365-F388 HydrophobicContact CD2-CE1 3.77Å; F365-F388 HydrophobicContact CD2-CZ 4.15Å; F365-F388 AromaticContact CE2-CE1 3.98Å; F365-F388 HydrophobicContact CE2-CE1 3.98Å; F365-F388 HydrophobicContact CE2-CZ 4.12Å; F365-F388 HydrophobicContact CG-CD1 4.29Å; F365-F388 HydrophobicContact CG-CE1 4.35Å; F373-F388 AromaticContact CE1-CE1 3.87Å; F373-F388 HydrophobicContact CE1-CE1 3.87Å; F373-F388 HydrophobicContact CE2-CD1 4.5Å; F373-F388 HydrophobicContact CE2-CE1 4.17Å; F373-F388 HydrophobicContact CZ-CD1 4.33Å; F373-F388 AromaticContact CZ-CE1 3.58Å; F373-F388 HydrophobicContact CZ-CE1 3.58Å; I375-F388 HydrophobicContact CD1-CZ 4.22Å; M383-F388 HydrophobicContact CE-CD2 4.37Å; M383-F388 HydrophobicContact CE-CE2 3.45Å; M383-F388 VanDerWaalsContact CE-CE2 3.45Å; M383-F388 HydrophobicContact CE-CZ 4Å; G386-F388 PolarHBondContact O-N 3.4Å; F388-G390 PolarHBondContact O-N 3.26Å; F388-V391 HydrophobicContact CB-CG2 3.96Å; F388-V391 HydrophobicContact CD1-CG2 4.35Å; F388-V391 WeakPolarHBondContact O-CG2 3.45Å; F388-V391 PolarHBondContact O-N 3.11Å; F388-L410 HydrophobicContact CD2-CD1 4Å; F388-L410 HydrophobicContact CD2-CD2 4.31Å; F388-L410 HydrophobicContact CD2-CG 3.92Å; F388-L410 HydrophobicContact CE2-CD1 4.34Å; F388-L410 PolarHBondContact N-O 3.34Å; F388-L411 HydrophobicContact CB-CD2 3.42Å; F388-L411 VanDerWaalsContact CB-CD2 3.42Å; F388-L411 HydrophobicContact CB-CG 4.28Å; F388-L411 HydrophobicContact CG-CD2 4.02Å
389	M	94.9	Very high	93.3	Very high	52 Å²	52	32.7 Å²	32.7	26%	0.256	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	127.2	179.4	175.1	177.2	-71.8	0	0	111.9	R363 E366 N367 G386 V391 P412	R363-M389 HydrophobicContact CG-SD 4.13Å; E366-M389 WeakPolarHBondContact CA-O 3.16Å; N367-M389 PolarHBondContact N-O 3.48Å; G386-M389 WeakPolarHBondContact O-CB 3.38Å; G386-M389 PolarHBondContact O-N 2.9Å; M389-V391 PolarHBondContact O-N 2.94Å; M389-P412 WeakPolarHBondContact CA-O 3.35Å; M389-P412 HydrophobicContact CB-CG 3.97Å; M389-P412 HydrophobicContact CE-CG 3.89Å; M389-P412 HydrophobicContact CG-CG 4.09Å
390	G	95	Very high	93	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	12.3	174.6	0	0	0	0	0	115.3	F388 R392 P412 D413	F388-G390 PolarHBondContact O-N 3.26Å; G390-R392 PolarHBondContact O-N 3.27Å; G390-P412 PolarHBondContact N-O 3.09Å; G390-D413 WeakPolarHBondContact CA-O 3.13Å
391	V	95.2	Very high	92.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.176	C	C	.	.			trans	-65.4	133.9	178.5	173	0	0	0	0	110.3	F365 C368 F388 M389 S414 A415 F416	F365-V391 HydrophobicContact CB-CG2 3.74Å; F365-V391 WeakPolarHBondContact O-CG2 3.46Å; C368-V391 HydrophobicContact CB-CG2 4.48Å; C368-V391 CarbonylContact O-C 3.53Å; C368-V391 WeakPolarHBondContact O-CA 3.37Å; F388-V391 HydrophobicContact CB-CG2 3.96Å; F388-V391 HydrophobicContact CD1-CG2 4.35Å; F388-V391 WeakPolarHBondContact O-CG2 3.45Å; F388-V391 PolarHBondContact O-N 3.11Å; M389-V391 PolarHBondContact O-N 2.94Å; V391-S414 CarbonylContact O-C 3.59Å; V391-S414 WeakPolarHBondContact O-CA 3.15Å; V391-S414 WeakPolarHBondContact O-CB 3.42Å; V391-A415 PolarHBondContact O-N 3.11Å; V391-F416 HydrophobicContact CG1-CE1 4.01Å; V391-F416 HydrophobicContact CG1-CZ 4.3Å
392	R	94.9	Very high	92.8	Very high	155 Å²	155	34.6 Å²	34.6	59%	0.585	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.4	173.6	-61.2	-177.4	-177.1	165.3	1.3	109.8	C368 T369 V370 G390 A415	C368-R392 PolarHBondContact O-N 2.91Å; T369-R392 WeakPolarHBondContact CA-O 3.27Å; T369-R392 HydrophobicContact CG2-CB 4.3Å; V370-R392 PolarHBondContact N-O 3.11Å; G390-R392 PolarHBondContact O-N 3.27Å; R392-A415 VanDerWaalsContact CA-O 3.31Å; R392-A415 WeakPolarHBondContact CA-O 3.3Å; R392-A415 HydrophobicContact CG-CB 4.39Å
393	S	94.1	Very high	92.8	Very high	13 Å²	13	32.7 Å²	32.7	9%	0.091	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.2	178.3	169.3	0	0	0	0	113.9	V370 N371 L395 A415 F416 A417	V370-S393 WeakPolarHBondContact O-CA 3.3Å; V370-S393 WeakPolarHBondContact O-CB 3.31Å; V370-S393 PolarHBondContact O-OG 3.41Å; N371-S393 PolarHBondContact O-OG 2.96Å; N371-S393 VanDerWaalsContact O-OG 3.08Å; S393-L395 PolarHBondContact OG-N 2.87Å; S393-L395 PolarHBondContact OG-O 3.29Å; S393-A415 PolarHBondContact N-O 3.42Å; S393-F416 CarbonylContact O-C 3.4Å; S393-F416 VanDerWaalsContact O-CA 3.24Å; S393-F416 WeakPolarHBondContact O-CA 3.2Å; S393-A417 PolarHBondContact O-N 3.05Å; S393-A417 VanDerWaalsContact O-N 3.15Å
394	V	91.7	Very high	92.6	Very high	82 Å²	82	35.4 Å²	35.4	50%	0.497	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-55.1	169.9	-179	0	0	0	0	108.4	N371 A417 L418	N371-V394 WeakPolarHBondContact O-CA 3.22Å; N371-V394 VanDerWaalsContact O-CB 3.31Å; N371-V394 WeakPolarHBondContact O-CB 3.39Å; N371-V394 PolarHBondContact O-N 3.13Å; V394-A417 HydrophobicContact CG1-CB 4.2Å; V394-A417 CarbonylContact O-C 3.43Å; V394-A417 WeakPolarHBondContact O-CA 3.2Å; V394-A417 VanDerWaalsContact O-CB 3.25Å; V394-A417 WeakPolarHBondContact O-CB 3.47Å; V394-A417 PolarHBondContact O-N 2.81Å; V394-L418 PolarHBondContact O-N 3.38Å
395	L	90.6	Very high	92.4	Very high	42 Å²	42	39.2 Å²	39.2	22%	0.22	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120	177.8	173.2	61.2	0	0	0	110.4	N371 N372 F373 S393 R397 L418	N371-L395 PolarHBondContact O-N 2.92Å; N372-L395 CarbonylContact C-O 3.51Å; N372-L395 WeakPolarHBondContact CA-O 3.28Å; F373-L395 PolarHBondContact N-O 3.24Å; S393-L395 PolarHBondContact OG-N 2.87Å; S393-L395 PolarHBondContact OG-O 3.29Å; L395-R397 HydrophobicContact CD1-CB 4.3Å; L395-R397 HydrophobicContact CG-CB 4.4Å; L395-L418 WeakPolarHBondContact CA-O 3.4Å; L395-L418 HydrophobicContact CD1-CB 4.08Å; L395-L418 HydrophobicContact CD1-CD2 3.78Å; L395-L418 HydrophobicContact CD1-CG 3.85Å
396	C	94.8	Very high	92.1	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.6	162.7	-175.2	0	0	0	0	108.5	F373 F416 L418 F419 S420	F373-C396 CarbonylContact O-C 3.55Å; F373-C396 WeakPolarHBondContact O-CA 3.33Å; C396-F416 HydrophobicContact CB-CD1 3.53Å; C396-F416 HydrophobicContact CB-CE1 3.64Å; C396-F416 HydrophobicContact CB-CG 4.18Å; C396-F416 HydrophobicContact CB-CZ 4.35Å; C396-L418 PolarHBondContact N-O 2.86Å; C396-F419 HydrophobicContact CB-CD2 3.77Å; C396-F419 HydrophobicContact CB-CE2 4.29Å; C396-F419 CarbonylContact O-C 3.56Å; C396-F419 WeakPolarHBondContact O-CA 3.35Å; C396-S420 PolarHBondContact O-N 3.01Å
397	R	91.6	Very high	91.9	Very high	79 Å²	79	38.1 Å²	38.1	30%	0.298	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.4	-177.6	179	-179.7	159.7	104.8	-3.4	108.8	F373 I374 I375 D376 L395 V399 S420	F373-R397 PolarHBondContact O-N 2.83Å; I374-R397 CarbonylContact C-O 3.57Å; I374-R397 VanDerWaalsContact CA-O 3.32Å; I374-R397 WeakPolarHBondContact CA-O 3.31Å; I374-R397 HydrophobicContact CG1-CB 4.35Å; I375-R397 PolarHBondContact N-O 2.88Å; D376-R397 IonicContact OD1-NE 2.77Å; D376-R397 PolarHBondContact OD1-NE 2.9Å; D376-R397 IonicContact OD2-CZ 2.7Å; D376-R397 VanDerWaalsContact OD2-CZ 3.24Å; D376-R397 IonicContact OD2-NE 3.93Å; D376-R397 PolarHBondContact OD2-NE 2.96Å; D376-R397 IonicContact OD2-NH2 3.74Å; D376-R397 PolarHBondContact OD2-NH2 2.95Å; L395-R397 HydrophobicContact CD1-CB 4.3Å; L395-R397 HydrophobicContact CG-CB 4.4Å; R397-V399 HydrophobicContact CG-CB 4.37Å; R397-V399 HydrophobicContact CG-CG2 3.5Å; R397-S420 CarbonylContact C-O 3.59Å; R397-S420 WeakPolarHBondContact CA-O 3.2Å
398	I	94.4	Very high	91.4	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	94.5	177.9	-57.8	178.5	0	0	0	106.3	I375 N401 S420 F421 E422 N424	I375-I398 HydrophobicContact CB-CG1 4.32Å; I375-I398 HydrophobicContact CB-CG2 4.47Å; I375-I398 HydrophobicContact CD1-CD1 4.42Å; I375-I398 HydrophobicContact CD1-CG1 4.31Å; I375-I398 HydrophobicContact CG1-CG1 4.45Å; I375-I398 CarbonylContact O-C 3.56Å; I375-I398 VanDerWaalsContact O-CA 3.25Å; I375-I398 WeakPolarHBondContact O-CA 3.44Å; I398-N401 VanDerWaalsContact CG2-ND2 3.29Å; I398-N401 WeakPolarHBondContact CG2-ND2 3.35Å; I398-S420 PolarHBondContact N-O 2.81Å; I398-F421 HydrophobicContact CB-CD2 3.86Å; I398-F421 HydrophobicContact CB-CE2 4.43Å; I398-F421 HydrophobicContact CD1-CD2 4.21Å; I398-F421 HydrophobicContact CG2-CD2 3.78Å; I398-F421 HydrophobicContact CG2-CE2 3.85Å; I398-F421 CarbonylContact O-C 3.42Å; I398-F421 VanDerWaalsContact O-CA 3.24Å; I398-F421 WeakPolarHBondContact O-CA 3.24Å; I398-E422 PolarHBondContact O-N 3.19Å; I398-N424 PolarHBondContact O-ND2 3.21Å
399	V	87.4	Confident	91	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.9	-168.5	-179.8	0	0	0	0	112.8	I375 D376 G377 R397 N401 E422	I375-V399 PolarHBondContact O-N 3.07Å; D376-V399 CarbonylContact C-O 3.57Å; D376-V399 VanDerWaalsContact CA-O 3.24Å; D376-V399 WeakPolarHBondContact CA-O 3.35Å; D376-V399 PolarHBondContact OD1-N 2.88Å; G377-V399 PolarHBondContact N-O 3.01Å; R397-V399 HydrophobicContact CG-CB 4.37Å; R397-V399 HydrophobicContact CG-CG2 3.5Å; V399-N401 VanDerWaalsContact C-N 3.26Å; V399-N401 PolarHBondContact N-ND2 2.83Å; V399-N401 VanDerWaalsContact N-ND2 3.12Å; V399-N401 PolarHBondContact O-N 2.71Å; V399-N401 PolarHBondContact O-ND2 2.85Å; V399-N401 VanDerWaalsContact O-ND2 3.14Å; V399-E422 CarbonylContact C-O 3.56Å; V399-E422 VanDerWaalsContact CA-O 3.24Å; V399-E422 WeakPolarHBondContact CA-O 3.38Å; V399-E422 HydrophobicContact CG1-CB 4.26Å; V399-E422 HydrophobicContact CG2-CB 4.04Å
400	E	90.1	Very high	90.7	Very high	108 Å²	108	44.3 Å²	44.3	51%	0.505	21%	0.209	S	C	.	.	S	Bend	trans	59.1	33.4	173	-71.5	167.6	-158.4	0	0	114.1	G377 E422 R423	G377-E400 VanDerWaalsContact CA-O 3.3Å; G377-E400 WeakPolarHBondContact CA-O 3.43Å; E400-E422 PolarHBondContact N-O 2.84Å; E400-R423 WeakPolarHBondContact CA-O 3.25Å; E400-R423 HydrophobicContact CG-CB 3.87Å; E400-R423 IonicContact OE1-CZ 3.66Å; E400-R423 IonicContact OE1-NE 3.6Å; E400-R423 PolarHBondContact OE1-NE 3.26Å; E400-R423 IonicContact OE1-NH2 2.66Å; E400-R423 PolarHBondContact OE1-NH2 2.68Å
401	N	92.4	Very high	90.6	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	21%	0.207	C	C	.	.			trans	-95.6	153.7	179.4	-54.1	-76.4	0	0	0	112.6	I375 G377 C378 I398 V399 I403 N424 N425	I375-N401 PolarHBondContact O-ND2 2.82Å; I375-N401 PolarHBondContact O-OD1 3.38Å; G377-N401 PolarHBondContact N-OD1 3.46Å; C378-N401 WeakPolarHBondContact CA-OD1 3.41Å; C378-N401 WeakPolarHBondContact CB-OD1 3.43Å; C378-N401 PolarHBondContact N-OD1 2.79Å; C378-N401 CarbonylContact O-C 3.59Å; C378-N401 VanDerWaalsContact O-CA 3.23Å; C378-N401 WeakPolarHBondContact O-CA 3.21Å; C378-N401 WeakPolarHBondContact O-CB 3.45Å; I398-N401 VanDerWaalsContact CG2-ND2 3.29Å; I398-N401 WeakPolarHBondContact CG2-ND2 3.35Å; V399-N401 VanDerWaalsContact C-N 3.26Å; V399-N401 PolarHBondContact N-ND2 2.83Å; V399-N401 VanDerWaalsContact N-ND2 3.12Å; V399-N401 PolarHBondContact O-N 2.71Å; V399-N401 PolarHBondContact O-ND2 2.85Å; V399-N401 VanDerWaalsContact O-ND2 3.14Å; N401-I403 HydrophobicContact CB-CD1 4.45Å; N401-I403 HydrophobicContact CB-CG1 4.06Å; N401-N424 WeakPolarHBondContact CB-OD1 3.26Å; N401-N424 PolarHBondContact N-OD1 3.45Å; N401-N424 PolarHBondContact ND2-OD1 2.8Å; N401-N424 CarbonylContact O-C 3.58Å; N401-N424 VanDerWaalsContact O-CA 3.3Å; N401-N424 WeakPolarHBondContact O-CA 3.25Å; N401-N425 PolarHBondContact O-N 3.34Å
402	N	91.9	Very high	90.4	Very high	56 Å²	56	44.6 Å²	44.6	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.7	165.8	-173.6	39.2	0	0	0	109.4	C378 T379 L380 N425	C378-N402 PolarHBondContact O-N 2.91Å; T379-N402 CarbonylContact C-O 3.55Å; T379-N402 WeakPolarHBondContact CA-O 3.39Å; L380-N402 PolarHBondContact N-O 2.78Å; N402-N425 PolarHBondContact OD1-ND2 2.9Å
403	I	90.7	Very high	90.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111	-173.6	-53.1	179.9	0	0	0	109	L380 M383 N401 L406 F421 N424 N425 I426 S427	L380-I403 HydrophobicContact CB-CG1 4.35Å; L380-I403 HydrophobicContact CD1-CD1 4.33Å; L380-I403 HydrophobicContact CD1-CG1 4.16Å; L380-I403 CarbonylContact O-C 3.53Å; L380-I403 WeakPolarHBondContact O-CA 3.4Å; M383-I403 HydrophobicContact SD-CD1 4.28Å; M383-I403 HydrophobicContact SD-CG2 4Å; N401-I403 HydrophobicContact CB-CD1 4.45Å; N401-I403 HydrophobicContact CB-CG1 4.06Å; I403-L406 HydrophobicContact CG2-CB 4.13Å; I403-L406 HydrophobicContact CG2-CD1 4.36Å; I403-F421 HydrophobicContact CD1-CE2 3.88Å; I403-F421 HydrophobicContact CD1-CZ 3.76Å; I403-N424 HydrophobicContact CD1-CB 4.21Å; I403-N425 PolarHBondContact N-O 2.79Å; I403-I426 CarbonylContact O-C 3.52Å; I403-I426 WeakPolarHBondContact O-CA 3.16Å; I403-S427 PolarHBondContact O-N 2.84Å
404	N	89.2	Confident	90.5	Very high	58 Å²	58	40.1 Å²	40.1	31%	0.31	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-50.3	-179.5	-64	63	0	0	0	111.8	L380 H381 S427	L380-N404 PolarHBondContact O-N 3.36Å; H381-N404 WeakPolarHBondContact O-CB 3.32Å; N404-S427 WeakPolarHBondContact CA-OG 3.18Å; N404-S427 CarbonylContact O-C 3.54Å
405	K	86.6	Confident	90.6	Very high	105 Å²	105	38.1 Å²	38.1	46%	0.457	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.5	-178.8	-179	179.2	160.4	-151.3	0	111.2	H381 D382 M383	H381-K405 WeakPolarHBondContact O-CB 3.45Å; H381-K405 PolarHBondContact O-N 3.21Å; D382-K405 IonicContact OD1-NZ 3.79Å; D382-K405 PolarHBondContact OD1-NZ 2.67Å; D382-K405 IonicContact OD2-NZ 2.81Å; D382-K405 PolarHBondContact OD2-NZ 3.42Å; M383-K405 PolarHBondContact N-O 3.06Å
406	L	87.2	Confident	90.7	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.6	174.6	-170.5	67	0	0	0	109.6	M383 I403 L410 F421 I426 W434	M383-L406 HydrophobicContact SD-CD1 3.84Å; I403-L406 HydrophobicContact CG2-CB 4.13Å; I403-L406 HydrophobicContact CG2-CD1 4.36Å; L406-L410 HydrophobicContact CD1-CD2 3.84Å; L406-F421 HydrophobicContact CD2-CZ 4.36Å; L406-I426 HydrophobicContact CB-CG2 4.2Å; L406-I426 HydrophobicContact CD2-CD1 3.9Å; L406-W434 HydrophobicContact CD2-CB 4.24Å; L406-W434 HydrophobicContact CD2-CD2 4Å; L406-W434 HydrophobicContact CD2-CG 3.72Å; L406-W434 HydrophobicContact CG-CB 4.13Å; L406-W434 HydrophobicContact CG-CG 4.16Å
407	S	86.8	Confident	90.3	Very high	17 Å²	17	37.9 Å²	37.9	12%	0.119	19%	0.191	C	C	.	.			trans	-75.6	153.5	-176.3	-58.7	0	0	0	0	113.1	M383 T385	M383-S407 WeakPolarHBondContact O-CB 3.34Å; M383-S407 PolarHBondContact O-N 2.98Å; M383-S407 VanDerWaalsContact O-N 3.17Å; M383-S407 PolarHBondContact O-OG 2.64Å; T385-S407 WeakPolarHBondContact OG1-CB 3.47Å
408	T	85.1	Confident	90.1	Very high	50 Å²	50	37.2 Å²	37.2	31%	0.307	19%	0.193	S	C	.	.	S	Bend	trans	-62.9	154.5	173.9	66.3	0	0	0	0	112	T385 L410 R433	T385-T408 WeakPolarHBondContact CB-O 3.47Å; T385-T408 WeakPolarHBondContact CG2-O 3.22Å; T385-T408 PolarHBondContact OG1-O 2.66Å; T408-L410 VanDerWaalsContact C-N 3.35Å; T408-L410 PolarHBondContact O-N 2.89Å; T408-R433 HydrophobicContact CG2-CB 3.73Å; T408-R433 HydrophobicContact CG2-CG 4.4Å
409	R	85.8	Confident	89.9	Confident	135 Å²	135	37 Å²	37	51%	0.509	19%	0.192	S	C	.	.	S	Bend	trans	48.4	55.7	-178.5	-64.3	-173.6	-70.6	-96.3	-1.4	111.3	T385 G386 P412 R433	T385-R409 HydrophobicContact CG2-CB 4.16Å; G386-R409 WeakPolarHBondContact CA-O 3.45Å; G386-R409 PolarHBondContact N-O 3.34Å; R409-P412 WeakPolarHBondContact O-CD 3.33Å; R409-R433 PolarHBondContact N-O 3.5Å
410	L	89.7	Confident	89.8	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	-71.3	-42.1	-179.2	-177.3	75.4	0	0	0	111	M383 S387 F388 L406 T408 P412 W434	M383-L410 HydrophobicContact CB-CD1 3.82Å; M383-L410 HydrophobicContact CE-CD1 4.15Å; M383-L410 HydrophobicContact CE-CD2 3.76Å; S387-L410 WeakPolarHBondContact OG-CD1 3.37Å; F388-L410 HydrophobicContact CD2-CD1 4Å; F388-L410 HydrophobicContact CD2-CD2 4.31Å; F388-L410 HydrophobicContact CD2-CG 3.92Å; F388-L410 HydrophobicContact CE2-CD1 4.34Å; F388-L410 PolarHBondContact N-O 3.34Å; L406-L410 HydrophobicContact CD1-CD2 3.84Å; T408-L410 VanDerWaalsContact C-N 3.35Å; T408-L410 PolarHBondContact O-N 2.89Å; L410-P412 VanDerWaalsContact O-CD 3.24Å; L410-P412 WeakPolarHBondContact O-CD 3.33Å; L410-W434 HydrophobicContact CB-CB 4.04Å; L410-W434 HydrophobicContact CD2-CE3 4.45Å; L410-W434 PolarHBondContact N-O 2.87Å; L410-W434 VanDerWaalsContact N-O 3.08Å
411	L	92.5	Very high	89.8	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	-116.2	41.2	-168	-69.6	158.6	0	0	0	112.8	F388 D413 S414 F416 F419 W434 M438	F388-L411 HydrophobicContact CB-CD2 3.42Å; F388-L411 VanDerWaalsContact CB-CD2 3.42Å; F388-L411 HydrophobicContact CB-CG 4.28Å; F388-L411 HydrophobicContact CG-CD2 4.02Å; L411-D413 PolarHBondContact O-N 3.4Å; L411-S414 WeakPolarHBondContact CB-OG 3.28Å; L411-S414 WeakPolarHBondContact O-CB 3.24Å; L411-S414 PolarHBondContact O-N 3.27Å; L411-S414 PolarHBondContact O-OG 3.46Å; L411-F416 HydrophobicContact CD2-CE2 4.02Å; L411-F416 HydrophobicContact CD2-CZ 3.84Å; L411-F419 HydrophobicContact CD1-CE2 3.83Å; L411-F419 HydrophobicContact CD1-CZ 3.9Å; L411-W434 HydrophobicContact CD1-CE3 3.95Å; L411-W434 HydrophobicContact CD1-CZ3 3.88Å; L411-W434 PolarHBondContact N-O 3.14Å; L411-M438 HydrophobicContact CB-CB 4.34Å; L411-M438 HydrophobicContact CB-CG 4.31Å; L411-M438 HydrophobicContact CB-SD 4.44Å; L411-M438 HydrophobicContact CD1-SD 3.79Å
412	P	92.1	Very high	89.3	Confident	11 Å²	11	33.3 Å²	33.3	7%	0.071	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	136	-174.9	30.5	-33.9	0	0	0	110.5	M389 G390 R409 L410 S414	M389-P412 WeakPolarHBondContact CA-O 3.35Å; M389-P412 HydrophobicContact CB-CG 3.97Å; M389-P412 HydrophobicContact CE-CG 3.89Å; M389-P412 HydrophobicContact CG-CG 4.09Å; G390-P412 PolarHBondContact N-O 3.09Å; R409-P412 WeakPolarHBondContact O-CD 3.33Å; L410-P412 VanDerWaalsContact O-CD 3.24Å; L410-P412 WeakPolarHBondContact O-CD 3.33Å; P412-S414 PolarHBondContact O-N 3.27Å; P412-S414 VanDerWaalsContact O-N 3.12Å
413	D	93.8	Very high	89	Confident	74 Å²	74	35.4 Å²	35.4	40%	0.396	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	22.2	176.9	-51.6	-43.8	0	0	0	113.7	G390 L411 R437	G390-D413 WeakPolarHBondContact CA-O 3.13Å; L411-D413 PolarHBondContact O-N 3.4Å; D413-R437 WeakPolarHBondContact CA-O 3.48Å; D413-R437 PolarHBondContact N-O 2.88Å; D413-R437 IonicContact OD1-CZ 3.35Å; D413-R437 IonicContact OD1-NE 3.12Å; D413-R437 PolarHBondContact OD1-NE 2.81Å; D413-R437 IonicContact OD1-NH2 3.64Å; D413-R437 PolarHBondContact OD1-NH2 2.96Å; D413-R437 IonicContact OD2-CZ 3.55Å; D413-R437 IonicContact OD2-NE 2.73Å; D413-R437 IonicContact OD2-NH2 3.4Å; D413-R437 PolarHBondContact OD2-NH2 3.14Å
414	S	95.3	Very high	88.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.			trans	-86.6	154.1	176.1	64.2	0	0	0	0	111.5	V391 L411 P412 F416 H439	V391-S414 CarbonylContact O-C 3.59Å; V391-S414 WeakPolarHBondContact O-CA 3.15Å; V391-S414 WeakPolarHBondContact O-CB 3.42Å; L411-S414 WeakPolarHBondContact CB-OG 3.28Å; L411-S414 WeakPolarHBondContact O-CB 3.24Å; L411-S414 PolarHBondContact O-N 3.27Å; L411-S414 PolarHBondContact O-OG 3.46Å; P412-S414 PolarHBondContact O-N 3.27Å; P412-S414 VanDerWaalsContact O-N 3.12Å; S414-F416 WeakPolarHBondContact OG-CE2 3.15Å; S414-H439 WeakPolarHBondContact O-CB 3.32Å; S414-H439 PolarHBondContact O-N 3.28Å
415	A	94.8	Very high	88.6	Confident	39 Å²	39	36.6 Å²	36.6	32%	0.322	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.5	-177.1	0	0	0	0	0	112.7	V391 R392 S393 H439	V391-A415 PolarHBondContact O-N 3.11Å; R392-A415 VanDerWaalsContact CA-O 3.31Å; R392-A415 WeakPolarHBondContact CA-O 3.3Å; R392-A415 HydrophobicContact CG-CB 4.39Å; S393-A415 PolarHBondContact N-O 3.42Å; A415-H439 CarbonylContact C-O 3.52Å; A415-H439 WeakPolarHBondContact CA-O 3.37Å; A415-H439 HydrophobicContact CB-CB 4.44Å
416	F	93.3	Very high	88.3	Confident	12 Å²	12	31.9 Å²	31.9	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.1	-177.3	-54.5	-69.1	0	0	0	113.3	V391 S393 C396 L411 S414 F419 M438 H439 A440 Q441	V391-F416 HydrophobicContact CG1-CE1 4.01Å; V391-F416 HydrophobicContact CG1-CZ 4.3Å; S393-F416 CarbonylContact O-C 3.4Å; S393-F416 VanDerWaalsContact O-CA 3.24Å; S393-F416 WeakPolarHBondContact O-CA 3.2Å; C396-F416 HydrophobicContact CB-CD1 3.53Å; C396-F416 HydrophobicContact CB-CE1 3.64Å; C396-F416 HydrophobicContact CB-CG 4.18Å; C396-F416 HydrophobicContact CB-CZ 4.35Å; L411-F416 HydrophobicContact CD2-CE2 4.02Å; L411-F416 HydrophobicContact CD2-CZ 3.84Å; S414-F416 WeakPolarHBondContact OG-CE2 3.15Å; F416-F419 HydrophobicContact CB-CB 4.1Å; F416-F419 HydrophobicContact CD2-CB 4.3Å; F416-F419 AromaticContact CD2-CD2 3.67Å; F416-F419 HydrophobicContact CD2-CD2 3.67Å; F416-F419 HydrophobicContact CD2-CE2 4.49Å; F416-F419 HydrophobicContact CD2-CG 4.31Å; F416-F419 AromaticContact CE2-CD2 3.84Å; F416-F419 HydrophobicContact CE2-CD2 3.84Å; F416-F419 HydrophobicContact CE2-CE2 4.23Å; F416-F419 HydrophobicContact CG-CB 4.32Å; F416-F419 HydrophobicContact CG-CD2 4.07Å; F416-F419 HydrophobicContact CZ-CD2 4.39Å; F416-M438 HydrophobicContact CD2-CG 3.96Å; F416-M438 HydrophobicContact CD2-SD 3.96Å; F416-M438 HydrophobicContact CE2-CG 3.86Å; F416-M438 HydrophobicContact CE2-SD 3.89Å; F416-H439 PolarHBondContact N-O 2.86Å; F416-A440 HydrophobicContact CB-CB 4.09Å; F416-A440 CarbonylContact O-C 3.54Å; F416-A440 WeakPolarHBondContact O-CA 3.15Å; F416-Q441 PolarHBondContact O-N 3.06Å
417	A	86.8	Confident	87.4	Confident	29 Å²	29	34.6 Å²	34.6	24%	0.24	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-52.1	164	0	0	0	0	0	110.2	S393 V394 Q441 H442	S393-A417 PolarHBondContact O-N 3.05Å; S393-A417 VanDerWaalsContact O-N 3.15Å; V394-A417 HydrophobicContact CG1-CB 4.2Å; V394-A417 CarbonylContact O-C 3.43Å; V394-A417 WeakPolarHBondContact O-CA 3.2Å; V394-A417 VanDerWaalsContact O-CB 3.25Å; V394-A417 WeakPolarHBondContact O-CB 3.47Å; V394-A417 PolarHBondContact O-N 2.81Å; A417-Q441 VanDerWaalsContact O-CB 3.25Å; A417-Q441 WeakPolarHBondContact O-CB 3.32Å; A417-Q441 PolarHBondContact O-N 3.17Å; A417-H442 PolarHBondContact O-N 3.21Å
418	L	85.8	Confident	86.1	Confident	66 Å²	66	35.5 Å²	35.5	35%	0.346	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.8	173.8	179.2	58.5	0	0	0	109.5	V394 L395 C396 H442	V394-L418 PolarHBondContact O-N 3.38Å; L395-L418 WeakPolarHBondContact CA-O 3.4Å; L395-L418 HydrophobicContact CD1-CB 4.08Å; L395-L418 HydrophobicContact CD1-CD2 3.78Å; L395-L418 HydrophobicContact CD1-CG 3.85Å; C396-L418 PolarHBondContact N-O 2.86Å; L418-H442 HydrophobicContact CD1-CB 3.78Å
419	F	89.7	Confident	84.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.6	174.4	-177.7	-90	0	0	0	109.1	C396 L411 F416 F421 W434 L435 M438 A440 H442 V443 N444	C396-F419 HydrophobicContact CB-CD2 3.77Å; C396-F419 HydrophobicContact CB-CE2 4.29Å; C396-F419 CarbonylContact O-C 3.56Å; C396-F419 WeakPolarHBondContact O-CA 3.35Å; L411-F419 HydrophobicContact CD1-CE2 3.83Å; L411-F419 HydrophobicContact CD1-CZ 3.9Å; F416-F419 HydrophobicContact CB-CB 4.1Å; F416-F419 HydrophobicContact CD2-CB 4.3Å; F416-F419 AromaticContact CD2-CD2 3.67Å; F416-F419 HydrophobicContact CD2-CD2 3.67Å; F416-F419 HydrophobicContact CD2-CE2 4.49Å; F416-F419 HydrophobicContact CD2-CG 4.31Å; F416-F419 AromaticContact CE2-CD2 3.84Å; F416-F419 HydrophobicContact CE2-CD2 3.84Å; F416-F419 HydrophobicContact CE2-CE2 4.23Å; F416-F419 HydrophobicContact CG-CB 4.32Å; F416-F419 HydrophobicContact CG-CD2 4.07Å; F416-F419 HydrophobicContact CZ-CD2 4.39Å; F419-F421 HydrophobicContact CE1-CB 3.69Å; F419-F421 HydrophobicContact CZ-CB 4.15Å; F419-F421 HydrophobicContact CZ-CD2 4.47Å; F419-W434 AromaticContact CE1-CH2 3.89Å; F419-W434 HydrophobicContact CE1-CH2 3.89Å; F419-W434 AromaticContact CE1-CZ3 3.94Å; F419-W434 HydrophobicContact CE1-CZ3 3.94Å; F419-W434 HydrophobicContact CZ-CH2 4.09Å; F419-W434 AromaticContact CZ-CZ3 3.72Å; F419-W434 HydrophobicContact CZ-CZ3 3.72Å; F419-L435 HydrophobicContact CE1-CD2 4.28Å; F419-M438 HydrophobicContact CD1-CE 4.04Å; F419-M438 HydrophobicContact CD1-SD 4.31Å; F419-M438 HydrophobicContact CD2-SD 4.01Å; F419-M438 HydrophobicContact CE1-CE 4.45Å; F419-M438 HydrophobicContact CE1-SD 4.36Å; F419-M438 HydrophobicContact CE2-SD 4.09Å; F419-M438 HydrophobicContact CG-CE 4.11Å; F419-M438 HydrophobicContact CG-SD 4.15Å; F419-M438 HydrophobicContact CZ-SD 4.28Å; F419-A440 HydrophobicContact CB-CB 4.19Å; F419-H442 PolarHBondContact N-O 3Å; F419-V443 HydrophobicContact CD1-CG1 4.24Å; F419-V443 CarbonylContact O-C 3.47Å; F419-V443 WeakPolarHBondContact O-CA 3.15Å; F419-N444 PolarHBondContact O-N 3.19Å
420	S	86.7	Confident	82.9	Confident	7 Å²	7	36.4 Å²	36.4	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.9	176	163.2	0	0	0	0	109.3	C396 R397 I398 E422 N444	C396-S420 PolarHBondContact O-N 3.01Å; R397-S420 CarbonylContact C-O 3.59Å; R397-S420 WeakPolarHBondContact CA-O 3.2Å; I398-S420 PolarHBondContact N-O 2.81Å; S420-E422 WeakPolarHBondContact OG-CG 3.4Å; S420-E422 PolarHBondContact OG-OE1 3.15Å; S420-N444 CarbonylContact C-O 3.57Å; S420-N444 WeakPolarHBondContact CA-O 3.22Å
421	F	89.8	Confident	81.4	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	81.9	173.7	-173.6	-86	0	0	0	107.3	I398 I403 L406 F419 N424 I426 W434 N444 I445 N448	I398-F421 HydrophobicContact CB-CD2 3.86Å; I398-F421 HydrophobicContact CB-CE2 4.43Å; I398-F421 HydrophobicContact CD1-CD2 4.21Å; I398-F421 HydrophobicContact CG2-CD2 3.78Å; I398-F421 HydrophobicContact CG2-CE2 3.85Å; I398-F421 CarbonylContact O-C 3.42Å; I398-F421 VanDerWaalsContact O-CA 3.24Å; I398-F421 WeakPolarHBondContact O-CA 3.24Å; I403-F421 HydrophobicContact CD1-CE2 3.88Å; I403-F421 HydrophobicContact CD1-CZ 3.76Å; L406-F421 HydrophobicContact CD2-CZ 4.36Å; F419-F421 HydrophobicContact CE1-CB 3.69Å; F419-F421 HydrophobicContact CZ-CB 4.15Å; F419-F421 HydrophobicContact CZ-CD2 4.47Å; F421-N424 HydrophobicContact CD1-CB 4.47Å; F421-N424 WeakPolarHBondContact CD1-ND2 3.31Å; F421-N424 HydrophobicContact CE1-CB 3.76Å; F421-N424 WeakPolarHBondContact CE1-ND2 3.27Å; F421-N424 WeakPolarHBondContact CG-ND2 3.21Å; F421-N424 HydrophobicContact CZ-CB 3.84Å; F421-I426 HydrophobicContact CE1-CD1 3.9Å; F421-I426 HydrophobicContact CZ-CD1 3.99Å; F421-I426 HydrophobicContact CZ-CG1 4.41Å; F421-W434 HydrophobicContact CB-CH2 4.22Å; F421-W434 HydrophobicContact CD1-CH2 4.17Å; F421-W434 HydrophobicContact CD1-CZ2 4.27Å; F421-W434 AromaticContact CD2-CH2 3.99Å; F421-W434 HydrophobicContact CD2-CH2 3.99Å; F421-W434 HydrophobicContact CD2-CZ3 4.33Å; F421-W434 HydrophobicContact CE1-CZ2 4.44Å; F421-W434 HydrophobicContact CE2-CH2 4.4Å; F421-W434 AromaticContact CG-CH2 3.86Å; F421-W434 HydrophobicContact CG-CH2 3.86Å; F421-W434 HydrophobicContact CG-CZ2 4.43Å; F421-N444 PolarHBondContact N-O 2.77Å; F421-I445 HydrophobicContact CB-CG2 3.96Å; F421-I445 CarbonylContact O-C 3.32Å; F421-I445 VanDerWaalsContact O-CA 3.27Å; F421-I445 WeakPolarHBondContact O-CA 3.36Å; F421-N448 WeakPolarHBondContact CE1-OD1 3.42Å; F421-N448 PolarHBondContact O-ND2 2.95Å
422	E	82.7	Confident	80.4	Confident	24 Å²	24	36.8 Å²	36.8	11%	0.112	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	145	-168.7	-62.9	170.9	-115.8	0	0	113.4	I398 V399 E400 S420 N424 N444 S446	I398-E422 PolarHBondContact O-N 3.19Å; V399-E422 CarbonylContact C-O 3.56Å; V399-E422 VanDerWaalsContact CA-O 3.24Å; V399-E422 WeakPolarHBondContact CA-O 3.38Å; V399-E422 HydrophobicContact CG1-CB 4.26Å; V399-E422 HydrophobicContact CG2-CB 4.04Å; E400-E422 PolarHBondContact N-O 2.84Å; S420-E422 WeakPolarHBondContact OG-CG 3.4Å; S420-E422 PolarHBondContact OG-OE1 3.15Å; E422-N424 PolarHBondContact N-ND2 3.35Å; E422-N424 PolarHBondContact O-N 3.06Å; E422-N424 PolarHBondContact O-ND2 2.87Å; E422-N444 VanDerWaalsContact CD-ND2 3.31Å; E422-N444 PolarHBondContact OE1-ND2 3.08Å; E422-S446 CarbonylContact C-O 3.59Å; E422-S446 WeakPolarHBondContact CA-O 3.3Å; E422-S446 WeakPolarHBondContact CB-O 3.25Å
423	R	85.1	Confident	79.7	Confident	101 Å²	101	41.5 Å²	41.5	38%	0.381	23%	0.229	S	C	.	.	S	Bend	trans	53.1	32.2	172.3	-62.3	-173.6	-66.9	-70.3	2.7	113.9	E400 S446 G447	E400-R423 WeakPolarHBondContact CA-O 3.25Å; E400-R423 HydrophobicContact CG-CB 3.87Å; E400-R423 IonicContact OE1-CZ 3.66Å; E400-R423 IonicContact OE1-NE 3.6Å; E400-R423 PolarHBondContact OE1-NE 3.26Å; E400-R423 IonicContact OE1-NH2 2.66Å; E400-R423 PolarHBondContact OE1-NH2 2.68Å; R423-S446 PolarHBondContact N-O 2.79Å; R423-G447 WeakPolarHBondContact CA-O 3.18Å
424	N	86.9	Confident	79.3	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	21%	0.211	C	C	.	.			trans	-89.5	134.9	176.3	-58.4	-69.1	0	0	0	110.6	I398 N401 I403 F421 E422 N448	I398-N424 PolarHBondContact O-ND2 3.21Å; N401-N424 WeakPolarHBondContact CB-OD1 3.26Å; N401-N424 PolarHBondContact N-OD1 3.45Å; N401-N424 PolarHBondContact ND2-OD1 2.8Å; N401-N424 CarbonylContact O-C 3.58Å; N401-N424 VanDerWaalsContact O-CA 3.3Å; N401-N424 WeakPolarHBondContact O-CA 3.25Å; I403-N424 HydrophobicContact CD1-CB 4.21Å; F421-N424 HydrophobicContact CD1-CB 4.47Å; F421-N424 WeakPolarHBondContact CD1-ND2 3.31Å; F421-N424 HydrophobicContact CE1-CB 3.76Å; F421-N424 WeakPolarHBondContact CE1-ND2 3.27Å; F421-N424 WeakPolarHBondContact CG-ND2 3.21Å; F421-N424 HydrophobicContact CZ-CB 3.84Å; E422-N424 PolarHBondContact N-ND2 3.35Å; E422-N424 PolarHBondContact O-N 3.06Å; E422-N424 PolarHBondContact O-ND2 2.87Å; N424-N448 WeakPolarHBondContact CA-OD1 3.45Å; N424-N448 WeakPolarHBondContact CB-OD1 3.14Å; N424-N448 PolarHBondContact N-OD1 3.47Å; N424-N448 PolarHBondContact O-OD1 2.91Å
425	N	84.1	Confident	78.8	Confident	78 Å²	78	38.5 Å²	38.5	42%	0.417	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109.7	174	-177.5	37.1	0	0	0	110	N401 N402 I403	N401-N425 PolarHBondContact O-N 3.34Å; N402-N425 PolarHBondContact OD1-ND2 2.9Å; I403-N425 PolarHBondContact N-O 2.79Å
426	I	79.8	Confident	78.2	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.1	-178.2	-54.8	165	0	0	0	109.3	I403 L406 F421 G428 F450	I403-I426 CarbonylContact O-C 3.52Å; I403-I426 WeakPolarHBondContact O-CA 3.16Å; L406-I426 HydrophobicContact CB-CG2 4.2Å; L406-I426 HydrophobicContact CD2-CD1 3.9Å; F421-I426 HydrophobicContact CE1-CD1 3.9Å; F421-I426 HydrophobicContact CZ-CD1 3.99Å; F421-I426 HydrophobicContact CZ-CG1 4.41Å; I426-G428 PolarHBondContact O-N 3.23Å; I426-F450 HydrophobicContact CD1-CD1 4.44Å; I426-F450 HydrophobicContact CD1-CE1 4.11Å
427	S	69.8	Low	78	Confident	68 Å²	68	41.9 Å²	41.9	48%	0.476	22%	0.217	S	C	.	.			trans	-96.2	62	176.7	48.7	0	0	0	0	112.5	I403 N404	I403-S427 PolarHBondContact O-N 2.84Å; N404-S427 WeakPolarHBondContact CA-OG 3.18Å; N404-S427 CarbonylContact O-C 3.54Å
428	G	59.3	Low	78.1	Confident	35 Å²	35	40.5 Å²	40.5	36%	0.361	21%	0.206	S	C	.	.	S	Bend	trans	-171.3	164.5	176.2	0	0	0	0	0	114	I426 G430	I426-G428 PolarHBondContact O-N 3.23Å; G428-G430 PolarHBondContact O-N 2.88Å
429	Q	48.9	Very low	78.4	Confident	182 Å²	182	41 Å²	41	85%	0.85	21%	0.206	S	C	*	.			trans	-74.8	37	177.1	-64.7	-165.9	11	0	0	113.4	A431	Q429-A431 PolarHBondContact O-N 2.92Å
430	G	54.1	Low	78.3	Confident	22 Å²	22	41.6 Å²	41.6	23%	0.227	21%	0.211	C	C	.	.			trans	-74.5	88.5	-179.4	0	0	0	0	0	111.3	G428	G428-G430 PolarHBondContact O-N 2.88Å
431	A	59.1	Low	78.1	Confident	8 Å²	8	45.4 Å²	45.4	7%	0.066	23%	0.228	C	C	.	.			trans	-51.1	161.2	168.3	0	0	0	0	0	112	Q429 R433 W434 E454	Q429-A431 PolarHBondContact O-N 2.92Å; A431-R433 HydrophobicContact CB-CG 4.47Å; A431-R433 PolarHBondContact O-N 2.84Å; A431-W434 VanDerWaalsContact O-CD1 3.31Å; A431-E454 HydrophobicContact CB-CB 4.48Å; A431-E454 HydrophobicContact CB-CG 3.83Å
432	S	70.6	Confident	77.6	Confident	5 Å²	5	47.9 Å²	47.9	4%	0.035	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-48.2	-8	175.5	49.7	0	0	0	0	116.2	W434 L435 E454	S432-W434 PolarHBondContact O-N 3.25Å; S432-L435 PolarHBondContact O-N 3.38Å; S432-L435 VanDerWaalsContact O-N 3.12Å; S432-E454 PolarHBondContact OG-N 2.95Å; S432-E454 PolarHBondContact OG-O 3.31Å
433	R	78.3	Confident	77.5	Confident	110 Å²	110	46.9 Å²	46.9	42%	0.415	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-53.8	-20.2	175.2	-71.8	-172.1	-178.3	176.8	6.1	115.3	T408 R409 A431 L435 S436 E454 L457	T408-R433 HydrophobicContact CG2-CB 3.73Å; T408-R433 HydrophobicContact CG2-CG 4.4Å; R409-R433 PolarHBondContact N-O 3.5Å; A431-R433 HydrophobicContact CB-CG 4.47Å; A431-R433 PolarHBondContact O-N 2.84Å; R433-L435 PolarHBondContact O-N 2.84Å; R433-S436 PolarHBondContact O-N 2.86Å; R433-S436 PolarHBondContact O-OG 3.49Å; R433-E454 IonicContact CZ-OE1 3.93Å; R433-E454 IonicContact CZ-OE2 3.86Å; R433-E454 IonicContact NE-OE1 2.74Å; R433-E454 IonicContact NE-OE2 3.9Å; R433-E454 PolarHBondContact NE-OE2 3.19Å; R433-E454 IonicContact NH2-OE1 2.98Å; R433-E454 IonicContact NH2-OE2 3.64Å; R433-E454 PolarHBondContact NH2-OE2 3.15Å; R433-L457 HydrophobicContact CB-CD1 4.09Å; R433-L457 HydrophobicContact CB-CD2 4.36Å; R433-L457 HydrophobicContact CG-CD1 3.18Å; R433-L457 HydrophobicContact CG-CD2 3.77Å; R433-L457 HydrophobicContact CG-CG 4.07Å
434	W	83.7	Confident	77.2	Confident	3 Å²	3	43 Å²	43	1%	0.011	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.8	-25.6	177.4	62.5	-92.9	0	0	0	112.2	L406 L410 L411 F419 F421 A431 S432	L406-W434 HydrophobicContact CD2-CB 4.24Å; L406-W434 HydrophobicContact CD2-CD2 4Å; L406-W434 HydrophobicContact CD2-CG 3.72Å; L406-W434 HydrophobicContact CG-CB 4.13Å; L406-W434 HydrophobicContact CG-CG 4.16Å; L410-W434 HydrophobicContact CB-CB 4.04Å; L410-W434 HydrophobicContact CD2-CE3 4.45Å; L410-W434 PolarHBondContact N-O 2.87Å; L410-W434 VanDerWaalsContact N-O 3.08Å; L411-W434 HydrophobicContact CD1-CE3 3.95Å; L411-W434 HydrophobicContact CD1-CZ3 3.88Å; L411-W434 PolarHBondContact N-O 3.14Å; F419-W434 AromaticContact CE1-CH2 3.89Å; F419-W434 HydrophobicContact CE1-CH2 3.89Å; F419-W434 AromaticContact CE1-CZ3 3.94Å; F419-W434 HydrophobicContact CE1-CZ3 3.94Å; F419-W434 HydrophobicContact CZ-CH2 4.09Å; F419-W434 AromaticContact CZ-CZ3 3.72Å; F419-W434 HydrophobicContact CZ-CZ3 3.72Å; F421-W434 HydrophobicContact CB-CH2 4.22Å; F421-W434 HydrophobicContact CD1-CH2 4.17Å; F421-W434 HydrophobicContact CD1-CZ2 4.27Å; F421-W434 AromaticContact CD2-CH2 3.99Å; F421-W434 HydrophobicContact CD2-CH2 3.99Å; F421-W434 HydrophobicContact CD2-CZ3 4.33Å; F421-W434 HydrophobicContact CE1-CZ2 4.44Å; F421-W434 HydrophobicContact CE2-CH2 4.4Å; F421-W434 AromaticContact CG-CH2 3.86Å; F421-W434 HydrophobicContact CG-CH2 3.86Å; F421-W434 HydrophobicContact CG-CZ2 4.43Å; A431-W434 VanDerWaalsContact O-CD1 3.31Å; S432-W434 PolarHBondContact O-N 3.25Å
435	L	85.5	Confident	77	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-83.9	-3.7	176.3	-69.2	171.6	0	0	0	115.1	F419 S432 R433 R437 M438	F419-L435 HydrophobicContact CE1-CD2 4.28Å; S432-L435 PolarHBondContact O-N 3.38Å; S432-L435 VanDerWaalsContact O-N 3.12Å; R433-L435 PolarHBondContact O-N 2.84Å; L435-R437 PolarHBondContact O-N 3.38Å; L435-M438 HydrophobicContact CD2-CE 3.49Å; L435-M438 VanDerWaalsContact CD2-CE 3.49Å; L435-M438 HydrophobicContact CD2-SD 3.49Å; L435-M438 WeakPolarHBondContact CD2-SD 3.35Å; L435-M438 WeakPolarHBondContact O-CB 3.38Å; L435-M438 PolarHBondContact O-N 3.24Å
436	S	83.2	Confident	76.7	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	133	-174.1	-41.7	0	0	0	0	111.2	R433 M438 L457	R433-S436 PolarHBondContact O-N 2.86Å; R433-S436 PolarHBondContact O-OG 3.49Å; S436-M438 PolarHBondContact O-N 3.01Å; S436-L457 VanDerWaalsContact OG-CD2 3.25Å; S436-L457 WeakPolarHBondContact OG-CD2 3.26Å
437	R	87.2	Confident	76.7	Confident	119 Å²	119	40.3 Å²	40.3	45%	0.449	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	22.1	-178	-56.5	173.1	59.4	156.6	-0.6	114.6	D413 L435 E460	D413-R437 WeakPolarHBondContact CA-O 3.48Å; D413-R437 PolarHBondContact N-O 2.88Å; D413-R437 IonicContact OD1-CZ 3.35Å; D413-R437 IonicContact OD1-NE 3.12Å; D413-R437 PolarHBondContact OD1-NE 2.81Å; D413-R437 IonicContact OD1-NH2 3.64Å; D413-R437 PolarHBondContact OD1-NH2 2.96Å; D413-R437 IonicContact OD2-CZ 3.55Å; D413-R437 IonicContact OD2-NE 2.73Å; D413-R437 IonicContact OD2-NH2 3.4Å; D413-R437 PolarHBondContact OD2-NH2 3.14Å; L435-R437 PolarHBondContact O-N 3.38Å; R437-E460 WeakPolarHBondContact CA-O 3.47Å; R437-E460 HydrophobicContact CG-CB 4.22Å
438	M	90.1	Very high	77.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.193	C	C	.	.			trans	-84.3	137.5	170.6	-173.2	-173.7	84.5	0	0	110.3	L411 F416 F419 L435 S436 A440 V443 A461 S462	L411-M438 HydrophobicContact CB-CB 4.34Å; L411-M438 HydrophobicContact CB-CG 4.31Å; L411-M438 HydrophobicContact CB-SD 4.44Å; L411-M438 HydrophobicContact CD1-SD 3.79Å; F416-M438 HydrophobicContact CD2-CG 3.96Å; F416-M438 HydrophobicContact CD2-SD 3.96Å; F416-M438 HydrophobicContact CE2-CG 3.86Å; F416-M438 HydrophobicContact CE2-SD 3.89Å; F419-M438 HydrophobicContact CD1-CE 4.04Å; F419-M438 HydrophobicContact CD1-SD 4.31Å; F419-M438 HydrophobicContact CD2-SD 4.01Å; F419-M438 HydrophobicContact CE1-CE 4.45Å; F419-M438 HydrophobicContact CE1-SD 4.36Å; F419-M438 HydrophobicContact CE2-SD 4.09Å; F419-M438 HydrophobicContact CG-CE 4.11Å; F419-M438 HydrophobicContact CG-SD 4.15Å; F419-M438 HydrophobicContact CZ-SD 4.28Å; L435-M438 HydrophobicContact CD2-CE 3.49Å; L435-M438 VanDerWaalsContact CD2-CE 3.49Å; L435-M438 HydrophobicContact CD2-SD 3.49Å; L435-M438 WeakPolarHBondContact CD2-SD 3.35Å; L435-M438 WeakPolarHBondContact O-CB 3.38Å; L435-M438 PolarHBondContact O-N 3.24Å; S436-M438 PolarHBondContact O-N 3.01Å; M438-A440 HydrophobicContact CE-CB 4.09Å; M438-V443 HydrophobicContact CE-CG2 3.92Å; M438-A461 CarbonylContact O-C 3.56Å; M438-A461 VanDerWaalsContact O-CA 3.23Å; M438-A461 WeakPolarHBondContact O-CA 3.34Å; M438-S462 PolarHBondContact O-N 2.84Å
439	H	91	Very high	78.2	Confident	77 Å²	77	39.9 Å²	39.9	36%	0.356	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132	171.8	-56.6	-50.9	0	0	0	110	S414 A415 F416 S462	S414-H439 WeakPolarHBondContact O-CB 3.32Å; S414-H439 PolarHBondContact O-N 3.28Å; A415-H439 CarbonylContact C-O 3.52Å; A415-H439 WeakPolarHBondContact CA-O 3.37Å; A415-H439 HydrophobicContact CB-CB 4.44Å; F416-H439 PolarHBondContact N-O 2.86Å; H439-S462 CarbonylContact C-O 3.55Å; H439-S462 WeakPolarHBondContact CA-O 3.38Å; H439-S462 PolarHBondContact ND1-OG 3.46Å
440	A	88.9	Confident	79.6	Confident	11 Å²	11	31.6 Å²	31.6	9%	0.091	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.6	174.4	0	0	0	0	0	111.3	F416 F419 M438 V443 S462 F463	F416-A440 HydrophobicContact CB-CB 4.09Å; F416-A440 CarbonylContact O-C 3.54Å; F416-A440 WeakPolarHBondContact O-CA 3.15Å; F419-A440 HydrophobicContact CB-CB 4.19Å; M438-A440 HydrophobicContact CE-CB 4.09Å; A440-V443 HydrophobicContact CB-CG2 3.57Å; A440-S462 PolarHBondContact N-O 2.88Å; A440-F463 HydrophobicContact CB-CB 4.44Å; A440-F463 WeakPolarHBondContact O-CA 3.43Å
441	Q	81.5	Confident	80.5	Confident	87 Å²	87	32.6 Å²	32.6	41%	0.407	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-53.1	165.8	-56.1	-179.7	-10.8	0	0	110.1	F416 A417 R464 S465	F416-Q441 PolarHBondContact O-N 3.06Å; A417-Q441 VanDerWaalsContact O-CB 3.25Å; A417-Q441 WeakPolarHBondContact O-CB 3.32Å; A417-Q441 PolarHBondContact O-N 3.17Å; Q441-R464 CarbonylContact O-C 3.56Å; Q441-R464 WeakPolarHBondContact O-CA 2.97Å; Q441-R464 VanDerWaalsContact O-CB 3.24Å; Q441-R464 WeakPolarHBondContact O-CB 3.29Å; Q441-R464 PolarHBondContact O-N 3.35Å; Q441-S465 PolarHBondContact O-N 3.43Å
442	H	79.9	Confident	80.9	Confident	53 Å²	53	40.1 Å²	40.1	25%	0.245	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.7	-180	-55.7	80.8	0	0	0	109.5	A417 L418 F419 S465	A417-H442 PolarHBondContact O-N 3.21Å; L418-H442 HydrophobicContact CD1-CB 3.78Å; F419-H442 PolarHBondContact N-O 3Å; H442-S465 PolarHBondContact CD2-OG 3.22Å
443	V	81.4	Confident	80.7	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.7	177.4	174.7	0	0	0	0	108.8	F419 M438 A440 I445 F463 S465 M466 E467	F419-V443 HydrophobicContact CD1-CG1 4.24Å; F419-V443 CarbonylContact O-C 3.47Å; F419-V443 WeakPolarHBondContact O-CA 3.15Å; M438-V443 HydrophobicContact CE-CG2 3.92Å; A440-V443 HydrophobicContact CB-CG2 3.57Å; V443-I445 HydrophobicContact CG1-CG2 3.79Å; V443-F463 HydrophobicContact CG2-CB 3.71Å; V443-F463 HydrophobicContact CG2-CD1 4.17Å; V443-F463 HydrophobicContact CG2-CG 3.92Å; V443-S465 PolarHBondContact N-O 2.83Å; V443-M466 HydrophobicContact CB-CB 4.49Å; V443-M466 HydrophobicContact CB-CE 4.24Å; V443-M466 HydrophobicContact CG1-CE 3.74Å; V443-M466 HydrophobicContact CG1-CG 4.45Å; V443-M466 CarbonylContact O-C 3.6Å; V443-M466 WeakPolarHBondContact O-CA 3.27Å; V443-E467 PolarHBondContact O-N 2.94Å
444	N	78.1	Confident	80	Confident	20 Å²	20	37.2 Å²	37.2	11%	0.107	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.3	169.8	-176.5	-6.4	0	0	0	108.6	F419 S420 F421 E422 S446 E467	F419-N444 PolarHBondContact O-N 3.19Å; S420-N444 CarbonylContact C-O 3.57Å; S420-N444 WeakPolarHBondContact CA-O 3.22Å; F421-N444 PolarHBondContact N-O 2.77Å; E422-N444 VanDerWaalsContact CD-ND2 3.31Å; E422-N444 PolarHBondContact OE1-ND2 3.08Å; N444-S446 WeakPolarHBondContact OD1-CB 3.19Å; N444-S446 PolarHBondContact OD1-N 3.24Å; N444-S446 PolarHBondContact OD1-OG 2.78Å; N444-E467 HydrophobicContact CB-CB 4.26Å
445	I	83.1	Confident	78.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.			trans	-121.5	40	177.3	58.1	169	0	0	0	111.9	F421 V443 N448 F450 W453 M466 E467 L468 N471	F421-I445 HydrophobicContact CB-CG2 3.96Å; F421-I445 CarbonylContact O-C 3.32Å; F421-I445 VanDerWaalsContact O-CA 3.27Å; F421-I445 WeakPolarHBondContact O-CA 3.36Å; V443-I445 HydrophobicContact CG1-CG2 3.79Å; I445-N448 VanDerWaalsContact C-ND2 3.26Å; I445-N448 PolarHBondContact O-ND2 2.83Å; I445-F450 HydrophobicContact CD1-CZ 4.44Å; I445-W453 HydrophobicContact CD1-CH2 3.42Å; I445-W453 VanDerWaalsContact CD1-CH2 3.42Å; I445-W453 HydrophobicContact CD1-CZ2 4.2Å; I445-W453 HydrophobicContact CD1-CZ3 4.2Å; I445-M466 HydrophobicContact CD1-CE 4.39Å; I445-E467 PolarHBondContact N-O 2.77Å; I445-L468 HydrophobicContact CD1-CD2 3.53Å; I445-L468 HydrophobicContact CG1-CD2 3.53Å; I445-L468 HydrophobicContact CG1-CG 4.28Å; I445-N471 PolarHBondContact O-ND2 2.82Å; I445-N471 PolarHBondContact O-OD1 2.82Å
446	S	77.4	Confident	77.1	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.028	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	152.3	-173.6	-63.6	0	0	0	0	114.7	E422 R423 N444 N448 S469	E422-S446 CarbonylContact C-O 3.59Å; E422-S446 WeakPolarHBondContact CA-O 3.3Å; E422-S446 WeakPolarHBondContact CB-O 3.25Å; R423-S446 PolarHBondContact N-O 2.79Å; N444-S446 WeakPolarHBondContact OD1-CB 3.19Å; N444-S446 PolarHBondContact OD1-N 3.24Å; N444-S446 PolarHBondContact OD1-OG 2.78Å; S446-N448 VanDerWaalsContact C-N 3.34Å; S446-N448 PolarHBondContact O-N 3.32Å; S446-N448 PolarHBondContact O-ND2 3.01Å; S446-S469 CarbonylContact C-O 3.59Å; S446-S469 WeakPolarHBondContact CA-O 3.24Å; S446-S469 WeakPolarHBondContact CB-O 3.39Å; S446-S469 WeakPolarHBondContact CB-OG 3.23Å; S446-S469 PolarHBondContact OG-N 3.49Å; S446-S469 PolarHBondContact OG-OG 2.79Å
447	G	79	Confident	75.6	Confident	29 Å²	29	48.5 Å²	48.5	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	13.7	169.9	0	0	0	0	0	115.7	R423 S469 A470 N471	R423-G447 WeakPolarHBondContact CA-O 3.18Å; G447-S469 PolarHBondContact N-O 3.32Å; G447-A470 WeakPolarHBondContact CA-O 3.17Å; G447-N471 PolarHBondContact N-OD1 2.99Å
448	N	82.4	Confident	74.2	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	21%	0.208	C	C	.	.			trans	-94.4	168.3	-178.7	-60.8	-77.9	0	0	0	112.6	F421 N424 I445 S446 F450 N471 Q472	F421-N448 WeakPolarHBondContact CE1-OD1 3.42Å; F421-N448 PolarHBondContact O-ND2 2.95Å; N424-N448 WeakPolarHBondContact CA-OD1 3.45Å; N424-N448 WeakPolarHBondContact CB-OD1 3.14Å; N424-N448 PolarHBondContact N-OD1 3.47Å; N424-N448 PolarHBondContact O-OD1 2.91Å; I445-N448 VanDerWaalsContact C-ND2 3.26Å; I445-N448 PolarHBondContact O-ND2 2.83Å; S446-N448 VanDerWaalsContact C-N 3.34Å; S446-N448 PolarHBondContact O-N 3.32Å; S446-N448 PolarHBondContact O-ND2 3.01Å; N448-F450 HydrophobicContact CB-CD2 4.22Å; N448-F450 HydrophobicContact CB-CE1 4.17Å; N448-F450 HydrophobicContact CB-CE2 3.62Å; N448-F450 HydrophobicContact CB-CZ 3.59Å; N448-N471 WeakPolarHBondContact CA-OD1 3.2Å; N448-N471 WeakPolarHBondContact CB-OD1 3.39Å; N448-N471 PolarHBondContact N-OD1 3.13Å; N448-N471 CarbonylContact O-C 3.52Å; N448-N471 WeakPolarHBondContact O-CA 3.3Å; N448-N471 PolarHBondContact O-OD1 2.77Å; N448-Q472 PolarHBondContact O-N 2.79Å
449	W	79.5	Confident	72.7	Confident	91 Å²	91	48.4 Å²	48.4	35%	0.345	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.2	169.7	-172.3	34.8	0	0	0	111	Q472 W511	W449-Q472 CarbonylContact C-O 3.6Å; W449-Q472 WeakPolarHBondContact CA-O 3.17Å; W449-Q472 HydrophobicContact CB-CB 4.48Å; W449-Q472 VanDerWaalsContact CD1-CB 3.45Å; W449-Q472 HydrophobicContact CG-CB 4.26Å; W449-W511 HydrophobicContact CZ2-CE3 4.11Å; W449-W511 HydrophobicContact CZ2-CH2 4.38Å; W449-W511 AromaticContact CZ2-CZ3 3.79Å; W449-W511 HydrophobicContact CZ2-CZ3 3.79Å
450	F	77.4	Confident	71.8	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.1	-179.3	-63.3	-64.5	0	0	0	111	I426 I445 N448 W453 N471 Q472 F473 Q474	I426-F450 HydrophobicContact CD1-CD1 4.44Å; I426-F450 HydrophobicContact CD1-CE1 4.11Å; I445-F450 HydrophobicContact CD1-CZ 4.44Å; N448-F450 HydrophobicContact CB-CD2 4.22Å; N448-F450 HydrophobicContact CB-CE1 4.17Å; N448-F450 HydrophobicContact CB-CE2 3.62Å; N448-F450 HydrophobicContact CB-CZ 3.59Å; F450-W453 HydrophobicContact CB-CE3 4.4Å; F450-W453 HydrophobicContact CD1-CE3 4.31Å; F450-W453 AromaticContact CD1-CZ3 3.89Å; F450-W453 HydrophobicContact CD1-CZ3 3.89Å; F450-W453 HydrophobicContact CD2-CE3 4.32Å; F450-W453 AromaticContact CD2-CZ3 3.92Å; F450-W453 HydrophobicContact CD2-CZ3 3.92Å; F450-W453 AromaticContact CE1-CZ3 3.88Å; F450-W453 HydrophobicContact CE1-CZ3 3.88Å; F450-W453 AromaticContact CE2-CZ3 3.88Å; F450-W453 HydrophobicContact CE2-CZ3 3.88Å; F450-W453 HydrophobicContact CG-CE3 4.1Å; F450-W453 AromaticContact CG-CZ3 3.92Å; F450-W453 HydrophobicContact CG-CZ3 3.92Å; F450-W453 AromaticContact CZ-CZ3 3.87Å; F450-W453 HydrophobicContact CZ-CZ3 3.87Å; F450-N471 HydrophobicContact CD2-CB 4.48Å; F450-N471 WeakPolarHBondContact CE2-OD1 3.32Å; F450-Q472 PolarHBondContact N-O 2.9Å; F450-F473 HydrophobicContact CB-CD1 3.87Å; F450-F473 HydrophobicContact CB-CE1 4.19Å; F450-F473 HydrophobicContact CD2-CD1 4.03Å; F450-F473 AromaticContact CD2-CE1 3.54Å; F450-F473 HydrophobicContact CD2-CE1 3.54Å; F450-F473 HydrophobicContact CD2-CZ 4.34Å; F450-F473 HydrophobicContact CE2-CE1 4.36Å; F450-F473 HydrophobicContact CG-CD1 4.42Å; F450-F473 HydrophobicContact CG-CE1 4.26Å; F450-F473 WeakPolarHBondContact O-CA 3.42Å; F450-Q474 PolarHBondContact O-N 2.95Å
451	V	73.7	Confident	71.3	Confident	43 Å²	43	49.1 Å²	49.1	26%	0.261	24%	0.242	S	C	.	.	S	Bend	trans	-77.4	-36	179.3	174.4	0	0	0	0	112.3	Q474	V451-Q474 WeakPolarHBondContact O-CB 3.15Å
452	R	66.8	Low	71.2	Confident	165 Å²	165	47.5 Å²	47.5	62%	0.623	24%	0.241	S	C	*	.			trans	-153.6	137.8	177.6	-173.1	175.3	178.8	158.5	-0.2	110
453	W	67	Low	71.1	Confident	10 Å²	10	45.9 Å²	45.9	4%	0.038	23%	0.233	C	C	.	.			trans	-114	133.5	169.1	-153.9	-91.1	0	0	0	108.1	I445 F450 F473 W483 M487	I445-W453 HydrophobicContact CD1-CH2 3.42Å; I445-W453 VanDerWaalsContact CD1-CH2 3.42Å; I445-W453 HydrophobicContact CD1-CZ2 4.2Å; I445-W453 HydrophobicContact CD1-CZ3 4.2Å; F450-W453 HydrophobicContact CB-CE3 4.4Å; F450-W453 HydrophobicContact CD1-CE3 4.31Å; F450-W453 AromaticContact CD1-CZ3 3.89Å; F450-W453 HydrophobicContact CD1-CZ3 3.89Å; F450-W453 HydrophobicContact CD2-CE3 4.32Å; F450-W453 AromaticContact CD2-CZ3 3.92Å; F450-W453 HydrophobicContact CD2-CZ3 3.92Å; F450-W453 AromaticContact CE1-CZ3 3.88Å; F450-W453 HydrophobicContact CE1-CZ3 3.88Å; F450-W453 AromaticContact CE2-CZ3 3.88Å; F450-W453 HydrophobicContact CE2-CZ3 3.88Å; F450-W453 HydrophobicContact CG-CE3 4.1Å; F450-W453 AromaticContact CG-CZ3 3.92Å; F450-W453 HydrophobicContact CG-CZ3 3.92Å; F450-W453 AromaticContact CZ-CZ3 3.87Å; F450-W453 HydrophobicContact CZ-CZ3 3.87Å; W453-F473 HydrophobicContact CE3-CE1 4.45Å; W453-W483 HydrophobicContact CB-CD2 3.47Å; W453-W483 VanDerWaalsContact CB-CD2 3.47Å; W453-W483 HydrophobicContact CB-CE3 3.2Å; W453-W483 HydrophobicContact CB-CG 4.12Å; W453-W483 HydrophobicContact CB-CH2 3.97Å; W453-W483 HydrophobicContact CB-CZ2 4.19Å; W453-W483 HydrophobicContact CB-CZ3 3.46Å; W453-W483 VanDerWaalsContact CB-CZ3 3.46Å; W453-W483 AromaticContact CD1-CE3 3.48Å; W453-W483 VanDerWaalsContact CD1-CE3 3.48Å; W453-W483 AromaticContact CD1-CZ3 3.96Å; W453-W483 HydrophobicContact CD2-CE3 4.37Å; W453-W483 HydrophobicContact CD2-CZ3 4.12Å; W453-W483 HydrophobicContact CG-CD2 4.15Å; W453-W483 AromaticContact CG-CE3 3.41Å; W453-W483 HydrophobicContact CG-CE3 3.41Å; W453-W483 VanDerWaalsContact CG-CE3 3.41Å; W453-W483 HydrophobicContact CG-CH2 4.45Å; W453-W483 AromaticContact CG-CZ3 3.57Å; W453-W483 HydrophobicContact CG-CZ3 3.57Å; W453-M487 HydrophobicContact CZ2-SD 4.49Å
454	E	63.4	Low	70.5	Confident	45 Å²	45	54.4 Å²	54.4	21%	0.21	27%	0.265	C	S	.	.			trans	-102.4	140.6	177.9	-72.1	-179.7	-172.9	0	0	110.7	A431 S432 R433 L457	A431-E454 HydrophobicContact CB-CB 4.48Å; A431-E454 HydrophobicContact CB-CG 3.83Å; S432-E454 PolarHBondContact OG-N 2.95Å; S432-E454 PolarHBondContact OG-O 3.31Å; R433-E454 IonicContact CZ-OE1 3.93Å; R433-E454 IonicContact CZ-OE2 3.86Å; R433-E454 IonicContact NE-OE1 2.74Å; R433-E454 IonicContact NE-OE2 3.9Å; R433-E454 PolarHBondContact NE-OE2 3.19Å; R433-E454 IonicContact NH2-OE1 2.98Å; R433-E454 IonicContact NH2-OE2 3.64Å; R433-E454 PolarHBondContact NH2-OE2 3.15Å; E454-L457 HydrophobicContact CB-CD1 3.81Å
455	E	54.6	Low	70	Confident	80 Å²	80	54.4 Å²	54.4	37%	0.374	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-63.6	-42.3	-167.2	-69.4	173.3	171.1	0	0	113.6	L457 A482 W483	E455-L457 PolarHBondContact O-N 2.94Å; E455-A482 WeakPolarHBondContact OE1-CB 3.32Å; E455-W483 HydrophobicContact CG-CB 3.65Å
456	H	53.3	Low	69.5	Low	147 Å²	147	54.5 Å²	54.5	68%	0.681	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-95	27.5	-161.7	-54	-47.6	0	0	0	116.7	S459	H456-S459 PolarHBondContact O-OG 2.83Å
457	L	52.2	Low	69.1	Low	22 Å²	22	55 Å²	55	12%	0.115	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-115.7	-23.7	-170.2	-71.5	146.5	0	0	0	115.5	R433 S436 E454 E455 S459 E460 A461	R433-L457 HydrophobicContact CB-CD1 4.09Å; R433-L457 HydrophobicContact CB-CD2 4.36Å; R433-L457 HydrophobicContact CG-CD1 3.18Å; R433-L457 HydrophobicContact CG-CD2 3.77Å; R433-L457 HydrophobicContact CG-CG 4.07Å; S436-L457 VanDerWaalsContact OG-CD2 3.25Å; S436-L457 WeakPolarHBondContact OG-CD2 3.26Å; E454-L457 HydrophobicContact CB-CD1 3.81Å; E455-L457 PolarHBondContact O-N 2.94Å; L457-S459 PolarHBondContact O-N 2.83Å; L457-S459 VanDerWaalsContact O-N 3.15Å; L457-E460 PolarHBondContact O-N 2.79Å; L457-E460 VanDerWaalsContact O-N 3.12Å; L457-A461 PolarHBondContact O-N 2.65Å
458	L	58.4	Low	68.7	Low	22 Å²	22	53.6 Å²	53.6	12%	0.115	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.1	169.1	-65.3	175.1	0	0	0	112.3	F463 M466 M487 R491	L458-F463 HydrophobicContact CD2-CE1 3.73Å; L458-F463 HydrophobicContact CD2-CZ 3.82Å; L458-M466 HydrophobicContact CD2-CE 4.25Å; L458-M487 HydrophobicContact CD1-CB 4.15Å; L458-M487 HydrophobicContact CD1-CG 3.81Å; L458-R491 PolarHBondContact O-NH2 3.08Å
459	S	58.4	Low	68.1	Low	96 Å²	96	53.4 Å²	53.4	67%	0.671	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-35.2	171.1	58.7	0	0	0	0	112.7	H456 L457	H456-S459 PolarHBondContact O-OG 2.83Å; L457-S459 PolarHBondContact O-N 2.83Å; L457-S459 VanDerWaalsContact O-N 3.15Å
460	E	72.3	Confident	67.8	Low	98 Å²	98	50.8 Å²	50.8	46%	0.458	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-30.8	179.3	-67.2	-172.2	-176.8	0	0	112.7	R437 L457	R437-E460 WeakPolarHBondContact CA-O 3.47Å; R437-E460 HydrophobicContact CG-CB 4.22Å; L457-E460 PolarHBondContact O-N 2.79Å; L457-E460 VanDerWaalsContact O-N 3.12Å
461	A	77.3	Confident	67.8	Low	5 Å²	5	50.4 Å²	50.4	4%	0.041	25%	0.249	C	C	.	.	S	Bend	trans	-77.3	151.6	173	0	0	0	0	0	110.6	M438 L457 R491	M438-A461 CarbonylContact O-C 3.56Å; M438-A461 VanDerWaalsContact O-CA 3.23Å; M438-A461 WeakPolarHBondContact O-CA 3.34Å; L457-A461 PolarHBondContact O-N 2.65Å; A461-R491 PolarHBondContact O-NH2 3.13Å
462	S	79.1	Confident	68	Low	54 Å²	54	51.7 Å²	51.7	38%	0.378	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.3	172	79.9	0	0	0	0	111.6	M438 H439 A440	M438-S462 PolarHBondContact O-N 2.84Å; H439-S462 CarbonylContact C-O 3.55Å; H439-S462 WeakPolarHBondContact CA-O 3.38Å; H439-S462 PolarHBondContact ND1-OG 3.46Å; A440-S462 PolarHBondContact N-O 2.88Å
463	F	78	Confident	68.6	Low	19 Å²	19	43.9 Å²	43.9	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	151.5	174.5	49.8	-92.9	0	0	0	113.1	A440 V443 L458 M466 R491	A440-F463 HydrophobicContact CB-CB 4.44Å; A440-F463 WeakPolarHBondContact O-CA 3.43Å; V443-F463 HydrophobicContact CG2-CB 3.71Å; V443-F463 HydrophobicContact CG2-CD1 4.17Å; V443-F463 HydrophobicContact CG2-CG 3.92Å; L458-F463 HydrophobicContact CD2-CE1 3.73Å; L458-F463 HydrophobicContact CD2-CZ 3.82Å; F463-M466 HydrophobicContact CD1-CE 4.18Å; F463-M466 HydrophobicContact CD2-CB 3.79Å; F463-M466 HydrophobicContact CD2-CE 4.39Å; F463-M466 HydrophobicContact CE1-CE 3.51Å; F463-M466 HydrophobicContact CE2-CB 3.45Å; F463-M466 VanDerWaalsContact CE2-CB 3.45Å; F463-M466 HydrophobicContact CE2-CE 3.75Å; F463-M466 HydrophobicContact CE2-CG 4.25Å; F463-M466 HydrophobicContact CE2-SD 3.92Å; F463-M466 HydrophobicContact CZ-CB 4.25Å; F463-M466 HydrophobicContact CZ-CE 3.26Å; F463-M466 HydrophobicContact CZ-SD 3.75Å; F463-R491 VanDerWaalsContact CG-NH1 3.33Å; F463-R491 PolarHBondContact O-NH1 2.76Å
464	R	68.6	Low	69.2	Low	182 Å²	182	46.5 Å²	46.5	69%	0.687	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	-38	178.8	-60.9	-174.4	174.5	-160.8	-2.4	112.4	Q441 P500	Q441-R464 CarbonylContact O-C 3.56Å; Q441-R464 WeakPolarHBondContact O-CA 2.97Å; Q441-R464 VanDerWaalsContact O-CB 3.24Å; Q441-R464 WeakPolarHBondContact O-CB 3.29Å; Q441-R464 PolarHBondContact O-N 3.35Å; R464-P500 WeakPolarHBondContact O-CA 3.41Å; R464-P500 WeakPolarHBondContact O-CB 3.35Å
465	S	68.6	Low	69.8	Low	19 Å²	19	44.6 Å²	44.6	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.7	173.5	74.8	0	0	0	0	111	Q441 H442 V443 I501	Q441-S465 PolarHBondContact O-N 3.43Å; H442-S465 PolarHBondContact CD2-OG 3.22Å; V443-S465 PolarHBondContact N-O 2.83Å; S465-I501 WeakPolarHBondContact CA-O 3.11Å; S465-I501 WeakPolarHBondContact CB-O 3.2Å
466	M	71.8	Confident	70.7	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.9	175.1	175.5	174	-87.5	0	0	110.3	V443 I445 L458 F463 L468 I501 V502 V503	V443-M466 HydrophobicContact CB-CB 4.49Å; V443-M466 HydrophobicContact CB-CE 4.24Å; V443-M466 HydrophobicContact CG1-CE 3.74Å; V443-M466 HydrophobicContact CG1-CG 4.45Å; V443-M466 CarbonylContact O-C 3.6Å; V443-M466 WeakPolarHBondContact O-CA 3.27Å; I445-M466 HydrophobicContact CD1-CE 4.39Å; L458-M466 HydrophobicContact CD2-CE 4.25Å; F463-M466 HydrophobicContact CD1-CE 4.18Å; F463-M466 HydrophobicContact CD2-CB 3.79Å; F463-M466 HydrophobicContact CD2-CE 4.39Å; F463-M466 HydrophobicContact CE1-CE 3.51Å; F463-M466 HydrophobicContact CE2-CB 3.45Å; F463-M466 VanDerWaalsContact CE2-CB 3.45Å; F463-M466 HydrophobicContact CE2-CE 3.75Å; F463-M466 HydrophobicContact CE2-CG 4.25Å; F463-M466 HydrophobicContact CE2-SD 3.92Å; F463-M466 HydrophobicContact CZ-CB 4.25Å; F463-M466 HydrophobicContact CZ-CE 3.26Å; F463-M466 HydrophobicContact CZ-SD 3.75Å; M466-L468 HydrophobicContact CG-CD1 3.91Å; M466-L468 HydrophobicContact CG-CG 3.92Å; M466-L468 HydrophobicContact SD-CD1 3.81Å; M466-L468 HydrophobicContact SD-CD2 4.42Å; M466-L468 HydrophobicContact SD-CG 4.17Å; M466-I501 PolarHBondContact N-O 2.93Å; M466-V502 HydrophobicContact CB-CG2 4.5Å; M466-V502 CarbonylContact O-C 3.42Å; M466-V502 VanDerWaalsContact O-CA 3.27Å; M466-V502 WeakPolarHBondContact O-CA 3.08Å; M466-V503 PolarHBondContact O-N 3.33Å
467	E	69.5	Low	71.6	Confident	13 Å²	13	37.8 Å²	37.8	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.1	172.9	-172.4	172.8	174	0	0	110.5	V443 N444 I445	V443-E467 PolarHBondContact O-N 2.94Å; N444-E467 HydrophobicContact CB-CB 4.26Å; I445-E467 PolarHBondContact N-O 2.77Å
468	L	71.3	Confident	72.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	86.1	-178.8	-69.4	151.5	0	0	0	107.5	I445 M466 M487 V502 V503 I504 N505 N508	I445-L468 HydrophobicContact CD1-CD2 3.53Å; I445-L468 HydrophobicContact CG1-CD2 3.53Å; I445-L468 HydrophobicContact CG1-CG 4.28Å; M466-L468 HydrophobicContact CG-CD1 3.91Å; M466-L468 HydrophobicContact CG-CG 3.92Å; M466-L468 HydrophobicContact SD-CD1 3.81Å; M466-L468 HydrophobicContact SD-CD2 4.42Å; M466-L468 HydrophobicContact SD-CG 4.17Å; L468-M487 HydrophobicContact CD1-CE 3.38Å; L468-M487 HydrophobicContact CD1-CG 4.31Å; L468-M487 HydrophobicContact CD1-SD 3.61Å; L468-M487 HydrophobicContact CD2-CE 4.24Å; L468-M487 HydrophobicContact CD2-SD 4.03Å; L468-M487 HydrophobicContact CG-CE 4.39Å; L468-V502 HydrophobicContact CD1-CG1 3.8Å; L468-V503 PolarHBondContact N-O 3.21Å; L468-I504 HydrophobicContact CB-CG1 4.39Å; L468-I504 HydrophobicContact CD1-CD1 4.32Å; L468-I504 HydrophobicContact CD1-CG1 4.11Å; L468-N505 PolarHBondContact O-N 3.47Å; L468-N508 PolarHBondContact O-ND2 3.13Å; L468-N508 PolarHBondContact O-OD1 2.77Å
469	S	69.4	Low	72.9	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.			trans	-120.1	150.4	176.3	78.1	0	0	0	0	111.9	S446 G447 N471 N505 N508 R557	S446-S469 CarbonylContact C-O 3.59Å; S446-S469 WeakPolarHBondContact CA-O 3.24Å; S446-S469 WeakPolarHBondContact CB-O 3.39Å; S446-S469 WeakPolarHBondContact CB-OG 3.23Å; S446-S469 PolarHBondContact OG-N 3.49Å; S446-S469 PolarHBondContact OG-OG 2.79Å; G447-S469 PolarHBondContact N-O 3.32Å; S469-N471 PolarHBondContact O-N 2.86Å; S469-N471 PolarHBondContact O-ND2 3.1Å; S469-N505 WeakPolarHBondContact CB-ND2 3.49Å; S469-N508 VanDerWaalsContact C-OD1 3.28Å; S469-R557 PolarHBondContact OG-NH2 2.94Å
470	A	73.6	Confident	73	Confident	35 Å²	35	44.5 Å²	44.5	29%	0.289	23%	0.234	S	C	.	.	S	Bend	trans	51.1	25.9	173.9	0	0	0	0	0	115.8	G447 D507 N508	G447-A470 WeakPolarHBondContact CA-O 3.17Å; A470-D507 HydrophobicContact CB-CB 4.12Å; A470-N508 PolarHBondContact N-OD1 2.97Å
471	N	77.2	Confident	72.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.			trans	-80.1	146.4	175	-73.4	-61.8	0	0	0	110.9	I445 G447 N448 F450 S469 F473 N508 V509	I445-N471 PolarHBondContact O-ND2 2.82Å; I445-N471 PolarHBondContact O-OD1 2.82Å; G447-N471 PolarHBondContact N-OD1 2.99Å; N448-N471 WeakPolarHBondContact CA-OD1 3.2Å; N448-N471 WeakPolarHBondContact CB-OD1 3.39Å; N448-N471 PolarHBondContact N-OD1 3.13Å; N448-N471 CarbonylContact O-C 3.52Å; N448-N471 WeakPolarHBondContact O-CA 3.3Å; N448-N471 PolarHBondContact O-OD1 2.77Å; F450-N471 HydrophobicContact CD2-CB 4.48Å; F450-N471 WeakPolarHBondContact CE2-OD1 3.32Å; S469-N471 PolarHBondContact O-N 2.86Å; S469-N471 PolarHBondContact O-ND2 3.1Å; N471-F473 HydrophobicContact CB-CD2 4.27Å; N471-F473 HydrophobicContact CB-CE1 4.25Å; N471-F473 HydrophobicContact CB-CE2 3.61Å; N471-F473 HydrophobicContact CB-CZ 3.6Å; N471-N508 WeakPolarHBondContact CB-OD1 3.45Å; N471-N508 PolarHBondContact N-OD1 3.35Å; N471-N508 CarbonylContact O-C 3.59Å; N471-N508 VanDerWaalsContact O-CA 3.31Å; N471-N508 WeakPolarHBondContact O-CA 3.32Å; N471-V509 PolarHBondContact O-N 3.25Å
472	Q	78.3	Confident	71.5	Confident	70 Å²	70	42.1 Å²	42.1	33%	0.327	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.9	168.1	-70.3	-179.3	66.5	0	0	108.5	N448 W449 F450 V509	N448-Q472 PolarHBondContact O-N 2.79Å; W449-Q472 CarbonylContact C-O 3.6Å; W449-Q472 WeakPolarHBondContact CA-O 3.17Å; W449-Q472 HydrophobicContact CB-CB 4.48Å; W449-Q472 VanDerWaalsContact CD1-CB 3.45Å; W449-Q472 HydrophobicContact CG-CB 4.26Å; F450-Q472 PolarHBondContact N-O 2.9Å; Q472-V509 CarbonylContact C-O 3.54Å; Q472-V509 WeakPolarHBondContact CA-O 3.47Å; Q472-V509 HydrophobicContact CG-CB 4.4Å
473	F	78.8	Confident	70.6	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.4	176.7	-61.3	-73	0	0	0	109.6	F450 W453 N471 C475 W483 L484 N508 V509 C510 W511 I521	F450-F473 HydrophobicContact CB-CD1 3.87Å; F450-F473 HydrophobicContact CB-CE1 4.19Å; F450-F473 HydrophobicContact CD2-CD1 4.03Å; F450-F473 AromaticContact CD2-CE1 3.54Å; F450-F473 HydrophobicContact CD2-CE1 3.54Å; F450-F473 HydrophobicContact CD2-CZ 4.34Å; F450-F473 HydrophobicContact CE2-CE1 4.36Å; F450-F473 HydrophobicContact CG-CD1 4.42Å; F450-F473 HydrophobicContact CG-CE1 4.26Å; F450-F473 WeakPolarHBondContact O-CA 3.42Å; W453-F473 HydrophobicContact CE3-CE1 4.45Å; N471-F473 HydrophobicContact CB-CD2 4.27Å; N471-F473 HydrophobicContact CB-CE1 4.25Å; N471-F473 HydrophobicContact CB-CE2 3.61Å; N471-F473 HydrophobicContact CB-CZ 3.6Å; F473-C475 PolarHBondContact O-N 2.75Å; F473-W483 HydrophobicContact CB-CH2 4.07Å; F473-W483 HydrophobicContact CB-CZ2 4.05Å; F473-W483 AromaticContact CD1-CH2 3.29Å; F473-W483 HydrophobicContact CD1-CH2 3.29Å; F473-W483 HydrophobicContact CD1-CZ2 4.03Å; F473-W483 HydrophobicContact CD1-CZ3 4.19Å; F473-W483 HydrophobicContact CD2-CH2 4.3Å; F473-W483 AromaticContact CE1-CH2 3.63Å; F473-W483 HydrophobicContact CE1-CH2 3.63Å; F473-W483 HydrophobicContact CE1-CZ3 4.1Å; F473-W483 AromaticContact CG-CH2 3.64Å; F473-W483 HydrophobicContact CG-CH2 3.64Å; F473-W483 HydrophobicContact CG-CZ2 4.14Å; F473-W483 HydrophobicContact CZ-CH2 4.27Å; F473-L484 HydrophobicContact CD2-CD1 4.47Å; F473-L484 HydrophobicContact CE2-CD1 4.26Å; F473-L484 HydrophobicContact CZ-CD1 4.48Å; F473-N508 HydrophobicContact CD2-CB 4.42Å; F473-N508 HydrophobicContact CE2-CB 4.03Å; F473-V509 PolarHBondContact N-O 3.26Å; F473-C510 CarbonylContact O-C 3.56Å; F473-W511 PolarHBondContact O-N 3.37Å; F473-I521 HydrophobicContact CD2-CD1 3.85Å; F473-I521 HydrophobicContact CE2-CD1 3.99Å
474	Q	78.3	Confident	69.7	Low	64 Å²	64	40.1 Å²	40.1	30%	0.299	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120	165.1	174	174.1	-23.3	0	0	109.4	F450 V451 W511 P513	F450-Q474 PolarHBondContact O-N 2.95Å; V451-Q474 WeakPolarHBondContact O-CB 3.15Å; Q474-W511 CarbonylContact C-O 3.39Å; Q474-W511 VanDerWaalsContact CA-O 3.3Å; Q474-W511 WeakPolarHBondContact CA-O 3.31Å; Q474-W511 HydrophobicContact CB-CE3 3.94Å; Q474-W511 HydrophobicContact CB-CZ3 4.36Å; Q474-W511 HydrophobicContact CG-CE3 4.04Å; Q474-W511 HydrophobicContact CG-CZ3 4.2Å; Q474-P513 HydrophobicContact CG-CG 3.8Å
475	C	76.7	Confident	69.1	Low	6 Å²	6	32.1 Å²	32.1	4%	0.041	19%	0.187	C	C	.	.			trans	-107.9	151.7	179.1	-54.4	0	0	0	0	111.2	F473 C510 W511 E512 Y524	F473-C475 PolarHBondContact O-N 2.75Å; C475-C510 HydrophobicContact CB-CB 4.33Å; C475-C510 WeakPolarHBondContact CB-SG 3.38Å; C475-C510 WeakPolarHBondContact SG-CA 3.31Å; C475-C510 WeakPolarHBondContact SG-CB 3.37Å; C475-C510 CovalentContact SG-SG 2.01Å; C475-C510 PolarHBondContact SG-SG 2.97Å; C475-W511 PolarHBondContact N-O 3.42Å; C475-E512 HydrophobicContact CB-CG 4.11Å; C475-Y524 HydrophobicContact CB-CE2 3.95Å
476	N	74.2	Confident	68.4	Low	58 Å²	58	32.9 Å²	32.9	31%	0.31	19%	0.189	S	C	.	.			trans	-121.3	114.5	165.7	-172.8	3.2	0	0	0	109.3	D478 N479 G480	N476-D478 PolarHBondContact O-N 2.99Å; N476-D478 WeakPolarHBondContact OD1-CB 3.46Å; N476-D478 PolarHBondContact OD1-N 2.76Å; N476-D478 PolarHBondContact OD1-OD2 2.8Å; N476-N479 HydrophobicContact CB-CB 4.48Å; N476-N479 PolarHBondContact O-N 2.87Å; N476-G480 PolarHBondContact O-N 2.85Å
477	C	72.5	Confident	67.7	Low	26 Å²	26	33.1 Å²	33.1	18%	0.176	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.7	174.9	-167	0	0	0	0	111.8	N479 G480 E512 K515 C529	C477-N479 VanDerWaalsContact C-N 3.35Å; C477-N479 PolarHBondContact O-N 2.92Å; C477-G480 PolarHBondContact O-N 2.77Å; C477-E512 WeakPolarHBondContact CB-OE1 3.26Å; C477-K515 PolarHBondContact SG-NZ 2.79Å; C477-K515 VanDerWaalsContact SG-NZ 3.38Å; C477-C529 HydrophobicContact CB-CB 3.93Å; C477-C529 WeakPolarHBondContact CB-SG 3.37Å; C477-C529 WeakPolarHBondContact SG-CA 3.28Å; C477-C529 WeakPolarHBondContact SG-CB 3.5Å; C477-C529 CovalentContact SG-SG 2.03Å; C477-C529 PolarHBondContact SG-SG 2.96Å
478	D	73.3	Confident	66.9	Low	125 Å²	125	34.4 Å²	34.4	67%	0.668	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-31	-174.7	-55.3	-28	0	0	0	112.5	N476	N476-D478 PolarHBondContact O-N 2.99Å; N476-D478 WeakPolarHBondContact OD1-CB 3.46Å; N476-D478 PolarHBondContact OD1-N 2.76Å; N476-D478 PolarHBondContact OD1-OD2 2.8Å
479	N	64.6	Low	65.8	Low	132 Å²	132	36.2 Å²	36.2	71%	0.706	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-10.4	-179.1	-66.7	1.6	0	0	0	113	N476 C477	N476-N479 HydrophobicContact CB-CB 4.48Å; N476-N479 PolarHBondContact O-N 2.87Å; C477-N479 VanDerWaalsContact C-N 3.35Å; C477-N479 PolarHBondContact O-N 2.92Å
480	G	59.3	Low	64.6	Low	23 Å²	23	39.3 Å²	39.3	24%	0.237	23%	0.228	C	C	.	.			trans	67.7	143.2	-168	0	0	0	0	0	112.2	N476 C477 A482	N476-G480 PolarHBondContact O-N 2.85Å; C477-G480 PolarHBondContact O-N 2.77Å; G480-A482 PolarHBondContact O-N 2.96Å
481	A	60.4	Low	63.2	Low	8 Å²	8	40 Å²	40	7%	0.066	22%	0.222	C	C	.	.			trans	-76.6	49.5	168.6	0	0	0	0	0	111.3	W483 L484 V485 Y524	A481-W483 PolarHBondContact O-N 2.87Å; A481-L484 HydrophobicContact CB-CB 4Å; A481-L484 WeakPolarHBondContact O-CB 3.02Å; A481-L484 PolarHBondContact O-N 2.81Å; A481-V485 PolarHBondContact O-N 3.02Å; A481-Y524 HydrophobicContact CB-CD1 4.42Å; A481-Y524 HydrophobicContact CB-CE1 3.45Å; A481-Y524 VanDerWaalsContact CB-CE1 3.45Å; A481-Y524 PolarHBondContact N-OH 2.92Å
482	A	57.7	Low	61.4	Low	46 Å²	46	50.2 Å²	50.2	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-55.7	-37	-178	0	0	0	0	0	111.8	E455 G480 L484 V485 D486	E455-A482 WeakPolarHBondContact OE1-CB 3.32Å; G480-A482 PolarHBondContact O-N 2.96Å; A482-L484 VanDerWaalsContact C-N 3.25Å; A482-L484 PolarHBondContact O-N 2.86Å; A482-V485 CarbonylContact O-C 3.43Å; A482-V485 WeakPolarHBondContact O-CB 3.38Å; A482-V485 PolarHBondContact O-N 2.77Å; A482-D486 WeakPolarHBondContact O-CB 3.34Å; A482-D486 PolarHBondContact O-N 3.15Å
483	W	60.7	Low	59.2	Low	28 Å²	28	54 Å²	54	11%	0.106	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-31.3	172.8	70.4	-95.6	0	0	0	114.6	W453 E455 F473 A481 D486 M487	W453-W483 HydrophobicContact CB-CD2 3.47Å; W453-W483 VanDerWaalsContact CB-CD2 3.47Å; W453-W483 HydrophobicContact CB-CE3 3.2Å; W453-W483 HydrophobicContact CB-CG 4.12Å; W453-W483 HydrophobicContact CB-CH2 3.97Å; W453-W483 HydrophobicContact CB-CZ2 4.19Å; W453-W483 HydrophobicContact CB-CZ3 3.46Å; W453-W483 VanDerWaalsContact CB-CZ3 3.46Å; W453-W483 AromaticContact CD1-CE3 3.48Å; W453-W483 VanDerWaalsContact CD1-CE3 3.48Å; W453-W483 AromaticContact CD1-CZ3 3.96Å; W453-W483 HydrophobicContact CD2-CE3 4.37Å; W453-W483 HydrophobicContact CD2-CZ3 4.12Å; W453-W483 HydrophobicContact CG-CD2 4.15Å; W453-W483 AromaticContact CG-CE3 3.41Å; W453-W483 HydrophobicContact CG-CE3 3.41Å; W453-W483 VanDerWaalsContact CG-CE3 3.41Å; W453-W483 HydrophobicContact CG-CH2 4.45Å; W453-W483 AromaticContact CG-CZ3 3.57Å; W453-W483 HydrophobicContact CG-CZ3 3.57Å; E455-W483 HydrophobicContact CG-CB 3.65Å; F473-W483 HydrophobicContact CB-CH2 4.07Å; F473-W483 HydrophobicContact CB-CZ2 4.05Å; F473-W483 AromaticContact CD1-CH2 3.29Å; F473-W483 HydrophobicContact CD1-CH2 3.29Å; F473-W483 HydrophobicContact CD1-CZ2 4.03Å; F473-W483 HydrophobicContact CD1-CZ3 4.19Å; F473-W483 HydrophobicContact CD2-CH2 4.3Å; F473-W483 AromaticContact CE1-CH2 3.63Å; F473-W483 HydrophobicContact CE1-CH2 3.63Å; F473-W483 HydrophobicContact CE1-CZ3 4.1Å; F473-W483 AromaticContact CG-CH2 3.64Å; F473-W483 HydrophobicContact CG-CH2 3.64Å; F473-W483 HydrophobicContact CG-CZ2 4.14Å; F473-W483 HydrophobicContact CZ-CH2 4.27Å; A481-W483 PolarHBondContact O-N 2.87Å; W483-D486 PolarHBondContact O-N 2.84Å; W483-M487 HydrophobicContact CZ3-SD 4.44Å; W483-M487 WeakPolarHBondContact O-CB 3.3Å; W483-M487 PolarHBondContact O-N 2.81Å
484	L	59.7	Low	57.2	Low	3 Å²	3	62.9 Å²	62.9	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-79.3	-35.5	-178.7	-171.2	76.9	0	0	0	109.7	F473 A481 A482 M487 I488 I521 W525	F473-L484 HydrophobicContact CD2-CD1 4.47Å; F473-L484 HydrophobicContact CE2-CD1 4.26Å; F473-L484 HydrophobicContact CZ-CD1 4.48Å; A481-L484 HydrophobicContact CB-CB 4Å; A481-L484 WeakPolarHBondContact O-CB 3.02Å; A481-L484 PolarHBondContact O-N 2.81Å; A482-L484 VanDerWaalsContact C-N 3.25Å; A482-L484 PolarHBondContact O-N 2.86Å; L484-M487 HydrophobicContact CD1-CE 3.57Å; L484-I488 VanDerWaalsContact O-CD1 3.28Å; L484-I488 WeakPolarHBondContact O-CD1 3.15Å; L484-I488 VanDerWaalsContact O-CG1 3.23Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 3.35Å; L484-I521 HydrophobicContact CD1-CD1 4.05Å; L484-I521 HydrophobicContact CD2-CD1 3.51Å; L484-I521 HydrophobicContact CD2-CG1 3.55Å; L484-I521 HydrophobicContact CG-CD1 4.39Å; L484-W525 HydrophobicContact CB-CH2 4.08Å; L484-W525 HydrophobicContact CD2-CE3 4.26Å; L484-W525 HydrophobicContact CD2-CH2 3.4Å; L484-W525 HydrophobicContact CD2-CZ3 3.21Å; L484-W525 HydrophobicContact CG-CH2 3.57Å; L484-W525 HydrophobicContact CG-CZ3 3.88Å
485	V	55	Low	55.2	Low	14 Å²	14	66.5 Å²	66.5	9%	0.085	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-53.2	165.3	-176.9	0	0	0	0	108.7	A481 A482 M487 I488 T489 W525 V534	A481-V485 PolarHBondContact O-N 3.02Å; A482-V485 CarbonylContact O-C 3.43Å; A482-V485 WeakPolarHBondContact O-CB 3.38Å; A482-V485 PolarHBondContact O-N 2.77Å; V485-M487 VanDerWaalsContact C-N 3.33Å; V485-M487 PolarHBondContact O-N 2.83Å; V485-I488 CarbonylContact O-C 3.6Å; V485-I488 VanDerWaalsContact O-CA 3.31Å; V485-I488 WeakPolarHBondContact O-CA 3.49Å; V485-I488 VanDerWaalsContact O-CB 3.32Å; V485-I488 WeakPolarHBondContact O-CB 3.07Å; V485-I488 PolarHBondContact O-N 3.39Å; V485-T489 VanDerWaalsContact C-OG1 3.27Å; V485-T489 HydrophobicContact CG1-CG2 3.63Å; V485-T489 WeakPolarHBondContact O-CB 3.37Å; V485-T489 PolarHBondContact O-N 2.06Å; V485-T489 PolarHBondContact O-OG1 2.89Å; V485-W525 HydrophobicContact CB-CZ2 4.25Å; V485-W525 HydrophobicContact CG2-CH2 4.47Å; V485-W525 HydrophobicContact CG2-CZ2 3.46Å; V485-W525 VanDerWaalsContact CG2-CZ2 3.46Å; V485-V534 HydrophobicContact CG1-CG2 4.26Å
486	D	55.2	Low	53.5	Low	35 Å²	35	75.8 Å²	75.8	19%	0.187	38%	0.381	C	S	.	.	H	α-helix	trans	-54.7	-43.6	179.2	-173.5	84.4	0	0	0	112.7	A482 W483 I488 T489 T490	A482-D486 WeakPolarHBondContact O-CB 3.34Å; A482-D486 PolarHBondContact O-N 3.15Å; W483-D486 PolarHBondContact O-N 2.84Å; D486-I488 PolarHBondContact O-N 2.75Å; D486-T489 PolarHBondContact O-N 3.4Å; D486-T490 VanDerWaalsContact CA-OG1 3.3Å; D486-T490 WeakPolarHBondContact CA-OG1 3.24Å; D486-T490 WeakPolarHBondContact O-CA 3.48Å; D486-T490 WeakPolarHBondContact O-CB 3.42Å; D486-T490 PolarHBondContact O-N 3.48Å; D486-T490 PolarHBondContact O-OG1 3.07Å; D486-T490 VanDerWaalsContact OD1-CB 3.25Å; D486-T490 WeakPolarHBondContact OD1-CB 3.19Å; D486-T490 WeakPolarHBondContact OD1-CG2 3.4Å; D486-T490 PolarHBondContact OD1-OG1 3.28Å
487	M	55.9	Low	52.1	Low	7 Å²	7	81.2 Å²	81.2	3%	0.034	41%	0.409	C	S	.	.	H	α-helix	trans	-59.9	-32.1	173.8	-174	-178.2	74.1	0	0	112.8	W453 L458 L468 W483 L484 V485 I504	W453-M487 HydrophobicContact CZ2-SD 4.49Å; L458-M487 HydrophobicContact CD1-CB 4.15Å; L458-M487 HydrophobicContact CD1-CG 3.81Å; L468-M487 HydrophobicContact CD1-CE 3.38Å; L468-M487 HydrophobicContact CD1-CG 4.31Å; L468-M487 HydrophobicContact CD1-SD 3.61Å; L468-M487 HydrophobicContact CD2-CE 4.24Å; L468-M487 HydrophobicContact CD2-SD 4.03Å; L468-M487 HydrophobicContact CG-CE 4.39Å; W483-M487 HydrophobicContact CZ3-SD 4.44Å; W483-M487 WeakPolarHBondContact O-CB 3.3Å; W483-M487 PolarHBondContact O-N 2.81Å; L484-M487 HydrophobicContact CD1-CE 3.57Å; V485-M487 VanDerWaalsContact C-N 3.33Å; V485-M487 PolarHBondContact O-N 2.83Å; M487-I504 HydrophobicContact CE-CD1 3.95Å
488	I	52.2	Low	50.6	Low	41 Å²	41	83.4 Å²	83.4	21%	0.21	43%	0.429	C	S	.	.	H	α-helix	trans	-85.5	-40.2	177	-65.5	164.1	0	0	0	112.2	L484 V485 D486 I504 W525 L536	L484-I488 VanDerWaalsContact O-CD1 3.28Å; L484-I488 WeakPolarHBondContact O-CD1 3.15Å; L484-I488 VanDerWaalsContact O-CG1 3.23Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 3.35Å; V485-I488 CarbonylContact O-C 3.6Å; V485-I488 VanDerWaalsContact O-CA 3.31Å; V485-I488 WeakPolarHBondContact O-CA 3.49Å; V485-I488 VanDerWaalsContact O-CB 3.32Å; V485-I488 WeakPolarHBondContact O-CB 3.07Å; V485-I488 PolarHBondContact O-N 3.39Å; D486-I488 PolarHBondContact O-N 2.75Å; I488-I504 HydrophobicContact CD1-CD1 3.66Å; I488-I504 HydrophobicContact CG1-CD1 3.22Å; I488-W525 HydrophobicContact CD1-CH2 3.31Å; I488-W525 HydrophobicContact CD1-CZ2 3.95Å; I488-W525 HydrophobicContact CD1-CZ3 4Å; I488-L536 HydrophobicContact CD1-CD2 3.96Å
489	T	48	Very low	49.1	Very low	37 Å²	37	86 Å²	86	23%	0.227	44%	0.437	C	S	.	.	H	α-helix	trans	-101.4	-34.4	-166.9	55.4	0	0	0	0	113.4	V485 D486 R491 R492 V534	V485-T489 VanDerWaalsContact C-OG1 3.27Å; V485-T489 HydrophobicContact CG1-CG2 3.63Å; V485-T489 WeakPolarHBondContact O-CB 3.37Å; V485-T489 PolarHBondContact O-N 2.06Å; V485-T489 PolarHBondContact O-OG1 2.89Å; D486-T489 PolarHBondContact O-N 3.4Å; T489-R491 PolarHBondContact O-N 3.06Å; T489-R492 WeakPolarHBondContact O-CA 3.19Å; T489-R492 WeakPolarHBondContact O-CB 3.06Å; T489-R492 PolarHBondContact O-N 3.03Å; T489-V534 HydrophobicContact CG2-CG2 4.26Å
490	T	45	Very low	48.1	Very low	66 Å²	66	81.2 Å²	81.2	41%	0.405	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.6	-170.9	-56.3	0	0	0	0	113.2	D486	D486-T490 VanDerWaalsContact CA-OG1 3.3Å; D486-T490 WeakPolarHBondContact CA-OG1 3.24Å; D486-T490 WeakPolarHBondContact O-CA 3.48Å; D486-T490 WeakPolarHBondContact O-CB 3.42Å; D486-T490 PolarHBondContact O-N 3.48Å; D486-T490 PolarHBondContact O-OG1 3.07Å; D486-T490 VanDerWaalsContact OD1-CB 3.25Å; D486-T490 WeakPolarHBondContact OD1-CB 3.19Å; D486-T490 WeakPolarHBondContact OD1-CG2 3.4Å; D486-T490 PolarHBondContact OD1-OG1 3.28Å
491	R	45	Very low	47.5	Very low	48 Å²	48	84.4 Å²	84.4	18%	0.181	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	0.7	164.2	-84.7	-165.9	179.9	179.2	12.3	115.7	L458 A461 F463 T489 L493 P500	L458-R491 PolarHBondContact O-NH2 3.08Å; A461-R491 PolarHBondContact O-NH2 3.13Å; F463-R491 VanDerWaalsContact CG-NH1 3.33Å; F463-R491 PolarHBondContact O-NH1 2.76Å; T489-R491 PolarHBondContact O-N 3.06Å; R491-L493 PolarHBondContact O-N 3.08Å; R491-P500 HydrophobicContact CB-CG 4.37Å
492	R	38.3	Very low	47.1	Very low	216 Å²	216	86 Å²	86	82%	0.815	43%	0.433	S	S	*	.	S	Bend	trans	-69.1	-14.8	162.9	-151.7	176.3	-179.3	-175.5	-1.5	111.9	T489	T489-R492 WeakPolarHBondContact O-CA 3.19Å; T489-R492 WeakPolarHBondContact O-CB 3.06Å; T489-R492 PolarHBondContact O-N 3.03Å
493	L	33.4	Very low	46.6	Very low	150 Å²	150	85.4 Å²	85.4	79%	0.785	42%	0.424	S	S	*	.	S	Bend	trans	-107.9	-7	-173.3	-86.5	157.7	0	0	0	115.8	R491	R491-L493 PolarHBondContact O-N 3.08Å
494	Y	36	Very low	46.1	Very low	187 Å²	187	84.9 Å²	84.9	73%	0.733	42%	0.424	S	S	*	.	S	Bend	trans	-124.8	113.4	174.5	-107.5	-94.8	0	0	0	109.7
495	L	36	Very low	45.6	Very low	141 Å²	141	85.5 Å²	85.5	74%	0.738	43%	0.427	S	S	*	.			trans	103.8	85	173.6	-54.5	163.8	0	0	0	115.1	L497	L495-L497 PolarHBondContact O-N 2.85Å
496	E	42.2	Very low	45.5	Very low	200 Å²	200	87.6 Å²	87.6	94%	0.935	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	15.1	167.4	-74.4	-166.9	147.2	0	0	115
497	L	43	Very low	45.8	Very low	172 Å²	172	88.6 Å²	88.6	90%	0.901	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	2.1	-173.9	-76.1	169.8	0	0	0	117.1	L495	L495-L497 PolarHBondContact O-N 2.85Å
498	A	42.2	Very low	46.5	Very low	72 Å²	72	88.3 Å²	88.3	60%	0.595	44%	0.44	S	S	*	.	S	Bend	trans	-167.8	123.3	161.2	0	0	0	0	0	107.7	P500	A498-P500 WeakPolarHBondContact O-CD 3.33Å; A498-P500 VanDerWaalsContact O-N 3.09Å
499	E	41.8	Very low	47.7	Very low	179 Å²	179	87.7 Å²	87.7	84%	0.836	44%	0.438	S	S	*	.			trans	-57.1	114.7	173.3	-66.6	-177.9	167.2	0	0	108.8	I501	E499-I501 PolarHBondContact O-N 3.26Å; E499-I501 VanDerWaalsContact O-N 3.09Å
500	P	43.6	Very low	49.3	Very low	33 Å²	33	86 Å²	86	21%	0.214	43%	0.427	C	S	.	.			trans	-65	115.7	165.5	25.4	-29.1	0	0	0	107.4	R464 R491 A498 V502	R464-P500 WeakPolarHBondContact O-CA 3.41Å; R464-P500 WeakPolarHBondContact O-CB 3.35Å; R491-P500 HydrophobicContact CB-CG 4.37Å; A498-P500 WeakPolarHBondContact O-CD 3.33Å; A498-P500 VanDerWaalsContact O-N 3.09Å; P500-V502 VanDerWaalsContact C-N 3.29Å; P500-V502 PolarHBondContact O-N 2.69Å
501	I	46.9	Very low	51	Low	90 Å²	90	85.9 Å²	85.9	46%	0.462	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	91	177.7	-50.4	177.5	0	0	0	106.7	S465 M466 E499 V503	S465-I501 WeakPolarHBondContact CA-O 3.11Å; S465-I501 WeakPolarHBondContact CB-O 3.2Å; M466-I501 PolarHBondContact N-O 2.93Å; E499-I501 PolarHBondContact O-N 3.26Å; E499-I501 VanDerWaalsContact O-N 3.09Å; I501-V503 HydrophobicContact CG2-CG2 3.42Å; I501-V503 VanDerWaalsContact CG2-CG2 3.42Å; I501-V503 PolarHBondContact O-N 3.14Å
502	V	50.6	Low	52.8	Low	40 Å²	40	83.8 Å²	83.8	24%	0.242	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	99.7	164.4	-173.8	0	0	0	0	106.7	M466 L468 P500 I504	M466-V502 HydrophobicContact CB-CG2 4.5Å; M466-V502 CarbonylContact O-C 3.42Å; M466-V502 VanDerWaalsContact O-CA 3.27Å; M466-V502 WeakPolarHBondContact O-CA 3.08Å; L468-V502 HydrophobicContact CD1-CG1 3.8Å; P500-V502 VanDerWaalsContact C-N 3.29Å; P500-V502 PolarHBondContact O-N 2.69Å; V502-I504 HydrophobicContact CG1-CD1 4.28Å; V502-I504 HydrophobicContact CG1-CG1 3.86Å; V502-I504 PolarHBondContact O-N 3.01Å
503	V	48.2	Very low	54.7	Low	34 Å²	34	75.1 Å²	75.1	21%	0.206	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	99.6	176.5	-173.6	0	0	0	0	108	M466 L468 I501 T548	M466-V503 PolarHBondContact O-N 3.33Å; L468-V503 PolarHBondContact N-O 3.21Å; I501-V503 HydrophobicContact CG2-CG2 3.42Å; I501-V503 VanDerWaalsContact CG2-CG2 3.42Å; I501-V503 PolarHBondContact O-N 3.14Å; V503-T548 HydrophobicContact CG1-CG2 3.33Å
504	I	50.9	Low	56.9	Low	18 Å²	18	75.5 Å²	75.5	9%	0.092	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.6	168.9	-54.6	-166.1	0	0	0	107.8	L468 M487 I488 V502 N508	L468-I504 HydrophobicContact CB-CG1 4.39Å; L468-I504 HydrophobicContact CD1-CD1 4.32Å; L468-I504 HydrophobicContact CD1-CG1 4.11Å; M487-I504 HydrophobicContact CE-CD1 3.95Å; I488-I504 HydrophobicContact CD1-CD1 3.66Å; I488-I504 HydrophobicContact CG1-CD1 3.22Å; V502-I504 HydrophobicContact CG1-CD1 4.28Å; V502-I504 HydrophobicContact CG1-CG1 3.86Å; V502-I504 PolarHBondContact O-N 3.01Å; I504-N508 WeakPolarHBondContact CG2-ND2 3.37Å
505	N	49	Very low	59.1	Low	15 Å²	15	71.7 Å²	71.7	8%	0.08	37%	0.369	C	S	.	.			trans	-85.8	153	172.9	-71.5	-19.3	0	0	0	111.6	L468 S469 D507 N508 T548	L468-N505 PolarHBondContact O-N 3.47Å; S469-N505 WeakPolarHBondContact CB-ND2 3.49Å; N505-D507 PolarHBondContact O-N 2.99Å; N505-N508 PolarHBondContact O-N 3.13Å; N505-N508 PolarHBondContact O-ND2 3.07Å; N505-T548 WeakPolarHBondContact ND2-CG2 3.13Å; N505-T548 WeakPolarHBondContact OD1-CG2 3.35Å
506	E	52.6	Low	61.3	Low	58 Å²	58	74 Å²	74	27%	0.271	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.8	179.9	-58.7	178.6	-173.7	0	0	114	N508 T538	E506-N508 VanDerWaalsContact C-N 3.27Å; E506-N508 PolarHBondContact O-N 2.7Å; E506-T538 HydrophobicContact CG-CG2 3.82Å; E506-T538 WeakPolarHBondContact OE1-CB 3.37Å; E506-T538 PolarHBondContact OE1-OG1 2.92Å
507	D	60.6	Low	63.4	Low	56 Å²	56	68.1 Å²	68.1	30%	0.299	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.1	-177.3	-71.8	-22	0	0	0	114.4	A470 N505 R557	A470-D507 HydrophobicContact CB-CB 4.12Å; N505-D507 PolarHBondContact O-N 2.99Å; D507-R557 WeakPolarHBondContact OD2-CD 3.47Å; D507-R557 IonicContact OD2-CZ 3.16Å; D507-R557 IonicContact OD2-NH1 3.61Å; D507-R557 PolarHBondContact OD2-NH1 2.89Å
508	N	72.1	Confident	65.2	Low	1 Å²	1	68 Å²	68	1%	0.005	33%	0.33	C	S	.	.			trans	-72.1	133.9	178.6	-61.4	-55.2	0	0	0	110.8	L468 S469 A470 N471 F473 I504 N505 E506 I521	L468-N508 PolarHBondContact O-ND2 3.13Å; L468-N508 PolarHBondContact O-OD1 2.77Å; S469-N508 VanDerWaalsContact C-OD1 3.28Å; A470-N508 PolarHBondContact N-OD1 2.97Å; N471-N508 WeakPolarHBondContact CB-OD1 3.45Å; N471-N508 PolarHBondContact N-OD1 3.35Å; N471-N508 CarbonylContact O-C 3.59Å; N471-N508 VanDerWaalsContact O-CA 3.31Å; N471-N508 WeakPolarHBondContact O-CA 3.32Å; F473-N508 HydrophobicContact CD2-CB 4.42Å; F473-N508 HydrophobicContact CE2-CB 4.03Å; I504-N508 WeakPolarHBondContact CG2-ND2 3.37Å; N505-N508 PolarHBondContact O-N 3.13Å; N505-N508 PolarHBondContact O-ND2 3.07Å; E506-N508 VanDerWaalsContact C-N 3.27Å; E506-N508 PolarHBondContact O-N 2.7Å; N508-I521 HydrophobicContact CB-CB 4.49Å; N508-I521 HydrophobicContact CB-CD1 3.44Å; N508-I521 VanDerWaalsContact CB-CD1 3.44Å; N508-I521 HydrophobicContact CB-CG1 4.47Å; N508-I521 PolarHBondContact O-N 3.22Å
509	V	77.5	Confident	66.9	Low	28 Å²	28	66.5 Å²	66.5	17%	0.17	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.3	-174.7	177.1	0	0	0	0	110	N471 Q472 F473 R518 L519	N471-V509 PolarHBondContact O-N 3.25Å; Q472-V509 CarbonylContact C-O 3.54Å; Q472-V509 WeakPolarHBondContact CA-O 3.47Å; Q472-V509 HydrophobicContact CG-CB 4.4Å; F473-V509 PolarHBondContact N-O 3.26Å; V509-R518 HydrophobicContact CG1-CB 3.83Å; V509-R518 HydrophobicContact CG1-CG 4.16Å; V509-L519 CarbonylContact C-O 3.6Å; V509-L519 WeakPolarHBondContact CA-O 3.43Å
510	C	79.6	Confident	68.4	Low	1 Å²	1	60.1 Å²	60.1	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.5	169.9	177.5	0	0	0	0	109.5	F473 C475 R518 L519 Y524	F473-C510 CarbonylContact O-C 3.56Å; C475-C510 HydrophobicContact CB-CB 4.33Å; C475-C510 WeakPolarHBondContact CB-SG 3.38Å; C475-C510 WeakPolarHBondContact SG-CA 3.31Å; C475-C510 WeakPolarHBondContact SG-CB 3.37Å; C475-C510 CovalentContact SG-SG 2.01Å; C475-C510 PolarHBondContact SG-SG 2.97Å; C510-R518 WeakPolarHBondContact O-CA 3.42Å; C510-L519 PolarHBondContact N-O 2.78Å; C510-L519 PolarHBondContact O-N 2.85Å; C510-Y524 HydrophobicContact CB-CD2 4.17Å; C510-Y524 HydrophobicContact CB-CG 4.06Å; C510-Y524 WeakPolarHBondContact SG-CD2 3.3Å; C510-Y524 WeakPolarHBondContact SG-CE2 3.46Å
511	W	82.7	Confident	69.6	Low	64 Å²	64	58.8 Å²	58.8	24%	0.242	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.7	175.1	176	57.7	0	0	0	110.3	W449 F473 Q474 C475 P513 R518	W449-W511 HydrophobicContact CZ2-CE3 4.11Å; W449-W511 HydrophobicContact CZ2-CH2 4.38Å; W449-W511 AromaticContact CZ2-CZ3 3.79Å; W449-W511 HydrophobicContact CZ2-CZ3 3.79Å; F473-W511 PolarHBondContact O-N 3.37Å; Q474-W511 CarbonylContact C-O 3.39Å; Q474-W511 VanDerWaalsContact CA-O 3.3Å; Q474-W511 WeakPolarHBondContact CA-O 3.31Å; Q474-W511 HydrophobicContact CB-CE3 3.94Å; Q474-W511 HydrophobicContact CB-CZ3 4.36Å; Q474-W511 HydrophobicContact CG-CE3 4.04Å; Q474-W511 HydrophobicContact CG-CZ3 4.2Å; C475-W511 PolarHBondContact N-O 3.42Å; W511-P513 HydrophobicContact CE3-CG 4.12Å; W511-P513 HydrophobicContact CH2-CB 3.6Å; W511-P513 HydrophobicContact CH2-CG 3.86Å; W511-P513 HydrophobicContact CZ2-CB 3.66Å; W511-P513 HydrophobicContact CZ2-CG 4.23Å; W511-P513 HydrophobicContact CZ3-CB 4.07Å; W511-P513 HydrophobicContact CZ3-CG 3.78Å; W511-P513 VanDerWaalsContact O-CD 3.3Å; W511-P513 WeakPolarHBondContact O-CD 3.35Å; W511-R518 HydrophobicContact CB-CG 4.49Å
512	E	81.4	Confident	70.4	Confident	4 Å²	4	59 Å²	59	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	102.6	174.9	-70.8	-175.7	176.9	0	0	110	C475 C477 Q514 K515 K516 R517 Y524	C475-E512 HydrophobicContact CB-CG 4.11Å; C477-E512 WeakPolarHBondContact CB-OE1 3.26Å; E512-Q514 VanDerWaalsContact C-N 3.26Å; E512-Q514 PolarHBondContact O-N 2.79Å; E512-K515 HydrophobicContact CB-CB 4.36Å; E512-K515 PolarHBondContact O-N 3.31Å; E512-K515 VanDerWaalsContact OE2-CD 3.25Å; E512-K515 WeakPolarHBondContact OE2-CD 3.19Å; E512-K516 WeakPolarHBondContact O-CA 3.47Å; E512-K516 PolarHBondContact O-N 3.15Å; E512-R517 HydrophobicContact CB-CG 4.15Å; E512-R517 VanDerWaalsContact CD-NH2 3.28Å; E512-R517 PolarHBondContact N-O 3.04Å; E512-R517 PolarHBondContact O-N 3.5Å; E512-R517 IonicContact OE1-CZ 3.73Å; E512-R517 IonicContact OE1-NE 3.72Å; E512-R517 IonicContact OE1-NH2 2.88Å; E512-R517 PolarHBondContact OE1-NH2 3Å; E512-R517 IonicContact OE2-CZ 3.19Å; E512-R517 IonicContact OE2-NE 2.65Å; E512-R517 PolarHBondContact OE2-NE 2.93Å; E512-R517 IonicContact OE2-NH2 2.92Å; E512-R517 PolarHBondContact OE2-NH2 2.95Å; E512-Y524 WeakPolarHBondContact OE1-CE2 3.44Å
513	P	79	Confident	71.3	Confident	34 Å²	34	58.7 Å²	58.7	22%	0.221	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-38	179.9	4.8	-12.5	0	0	0	112.7	Q474 W511 K515 K516	Q474-P513 HydrophobicContact CG-CG 3.8Å; W511-P513 HydrophobicContact CE3-CG 4.12Å; W511-P513 HydrophobicContact CH2-CB 3.6Å; W511-P513 HydrophobicContact CH2-CG 3.86Å; W511-P513 HydrophobicContact CZ2-CB 3.66Å; W511-P513 HydrophobicContact CZ2-CG 4.23Å; W511-P513 HydrophobicContact CZ3-CB 4.07Å; W511-P513 HydrophobicContact CZ3-CG 3.78Å; W511-P513 VanDerWaalsContact O-CD 3.3Å; W511-P513 WeakPolarHBondContact O-CD 3.35Å; P513-K515 PolarHBondContact O-N 3.16Å; P513-K516 PolarHBondContact O-N 3.49Å
514	Q	80.2	Confident	72.5	Confident	158 Å²	158	57.2 Å²	57.2	74%	0.738	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-40.8	-178	-56.9	-55.1	-24.1	0	0	112.4	E512	E512-Q514 VanDerWaalsContact C-N 3.26Å; E512-Q514 PolarHBondContact O-N 2.79Å
515	K	82.3	Confident	73.3	Confident	107 Å²	107	57.2 Å²	57.2	47%	0.465	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	1.3	179.2	-59.3	-167.2	-163.5	168.1	0	113.1	C477 E512 P513 R517	C477-K515 PolarHBondContact SG-NZ 2.79Å; C477-K515 VanDerWaalsContact SG-NZ 3.38Å; E512-K515 HydrophobicContact CB-CB 4.36Å; E512-K515 PolarHBondContact O-N 3.31Å; E512-K515 VanDerWaalsContact OE2-CD 3.25Å; E512-K515 WeakPolarHBondContact OE2-CD 3.19Å; P513-K515 PolarHBondContact O-N 3.16Å; K515-R517 HydrophobicContact CB-CG 3.92Å; K515-R517 PolarHBondContact O-N 3.15Å
516	K	81.7	Confident	74.2	Confident	190 Å²	190	63.5 Å²	63.5	83%	0.826	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	34.5	-173.4	-63.3	-176.6	178.5	178.3	0	113.8	E512 P513	E512-K516 WeakPolarHBondContact O-CA 3.47Å; E512-K516 PolarHBondContact O-N 3.15Å; P513-K516 PolarHBondContact O-N 3.49Å
517	R	84.8	Confident	75	Confident	76 Å²	76	62 Å²	62	29%	0.287	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.4	-176.9	72.2	-179.7	176.9	167.5	4.2	112.2	E512 K515 C529	E512-R517 HydrophobicContact CB-CG 4.15Å; E512-R517 VanDerWaalsContact CD-NH2 3.28Å; E512-R517 PolarHBondContact N-O 3.04Å; E512-R517 PolarHBondContact O-N 3.5Å; E512-R517 IonicContact OE1-CZ 3.73Å; E512-R517 IonicContact OE1-NE 3.72Å; E512-R517 IonicContact OE1-NH2 2.88Å; E512-R517 PolarHBondContact OE1-NH2 3Å; E512-R517 IonicContact OE2-CZ 3.19Å; E512-R517 IonicContact OE2-NE 2.65Å; E512-R517 PolarHBondContact OE2-NE 2.93Å; E512-R517 IonicContact OE2-NH2 2.92Å; E512-R517 PolarHBondContact OE2-NH2 2.95Å; K515-R517 HydrophobicContact CB-CG 3.92Å; K515-R517 PolarHBondContact O-N 3.15Å; R517-C529 PolarHBondContact NH2-SG 2.88Å
518	R	81.3	Confident	75.4	Confident	171 Å²	171	67.5 Å²	67.5	65%	0.645	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	174.4	-71.7	-179.4	175.2	176.3	-3.1	108.3	V509 C510 W511	V509-R518 HydrophobicContact CG1-CB 3.83Å; V509-R518 HydrophobicContact CG1-CG 4.16Å; C510-R518 WeakPolarHBondContact O-CA 3.42Å; W511-R518 HydrophobicContact CB-CG 4.49Å
519	L	77.4	Confident	75.2	Confident	39 Å²	39	67.8 Å²	67.8	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.3	177.8	-65.1	172	0	0	0	108.8	V509 C510 A523 Y524	V509-L519 CarbonylContact C-O 3.6Å; V509-L519 WeakPolarHBondContact CA-O 3.43Å; C510-L519 PolarHBondContact N-O 2.78Å; C510-L519 PolarHBondContact O-N 2.85Å; L519-A523 HydrophobicContact CB-CB 4.34Å; L519-A523 HydrophobicContact CD2-CB 4.33Å; L519-Y524 HydrophobicContact CD1-CD2 4.24Å
520	S	73.5	Confident	74.4	Confident	45 Å²	45	67.6 Å²	67.6	32%	0.315	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	156.1	159.8	63.3	0	0	0	0	108.4	E522 A523 Y524	S520-E522 PolarHBondContact O-N 2.96Å; S520-A523 PolarHBondContact O-N 3.23Å; S520-A523 VanDerWaalsContact OG-CB 3.27Å; S520-A523 WeakPolarHBondContact OG-CB 3.4Å; S520-A523 PolarHBondContact OG-N 2.89Å; S520-A523 VanDerWaalsContact OG-N 3.09Å; S520-Y524 PolarHBondContact O-N 2.79Å
521	I	69.5	Low	73.6	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-59.6	-38.5	177.3	-112.7	154.8	0	0	0	111.8	F473 L484 N508 Y524 W525 L536	F473-I521 HydrophobicContact CD2-CD1 3.85Å; F473-I521 HydrophobicContact CE2-CD1 3.99Å; L484-I521 HydrophobicContact CD1-CD1 4.05Å; L484-I521 HydrophobicContact CD2-CD1 3.51Å; L484-I521 HydrophobicContact CD2-CG1 3.55Å; L484-I521 HydrophobicContact CG-CD1 4.39Å; N508-I521 HydrophobicContact CB-CB 4.49Å; N508-I521 HydrophobicContact CB-CD1 3.44Å; N508-I521 VanDerWaalsContact CB-CD1 3.44Å; N508-I521 HydrophobicContact CB-CG1 4.47Å; N508-I521 PolarHBondContact O-N 3.22Å; I521-Y524 PolarHBondContact O-N 3.45Å; I521-W525 HydrophobicContact CB-CZ3 4.47Å; I521-W525 HydrophobicContact CG1-CZ3 4.15Å; I521-W525 HydrophobicContact CG2-CE3 3.88Å; I521-W525 HydrophobicContact CG2-CZ3 3.78Å; I521-W525 PolarHBondContact O-N 3.48Å; I521-L536 HydrophobicContact CG2-CD1 3.67Å
522	E	64	Low	72.3	Confident	95 Å²	95	80.2 Å²	80.2	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-57.9	-51.1	172.5	-172.2	177.2	-155.2	0	0	111.7	S520 Y524 W525 E526	S520-E522 PolarHBondContact O-N 2.96Å; E522-Y524 VanDerWaalsContact C-N 3.31Å; E522-Y524 PolarHBondContact O-N 2.96Å; E522-W525 WeakPolarHBondContact O-CB 3.4Å; E522-W525 PolarHBondContact O-N 2.87Å; E522-W525 VanDerWaalsContact O-N 3.1Å; E522-E526 WeakPolarHBondContact O-CG 3.29Å; E522-E526 PolarHBondContact O-N 3.03Å
523	A	69.4	Low	70.9	Confident	33 Å²	33	89.2 Å²	89.2	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-65.9	-32.2	178.5	0	0	0	0	0	112.9	L519 S520 S527	L519-A523 HydrophobicContact CB-CB 4.34Å; L519-A523 HydrophobicContact CD2-CB 4.33Å; S520-A523 PolarHBondContact O-N 3.23Å; S520-A523 VanDerWaalsContact OG-CB 3.27Å; S520-A523 WeakPolarHBondContact OG-CB 3.4Å; S520-A523 PolarHBondContact OG-N 2.89Å; S520-A523 VanDerWaalsContact OG-N 3.09Å; A523-S527 WeakPolarHBondContact O-CB 3.1Å; A523-S527 PolarHBondContact O-N 3.37Å
524	Y	73.1	Confident	69.5	Low	3 Å²	3	89.7 Å²	89.7	1%	0.012	42%	0.423	C	S	.	.	H	α-helix	trans	-65.7	-40.4	172.5	178.6	-96.3	0	0	0	111.2	C475 A481 C510 E512 L519 S520 I521 E522 S527 C529	C475-Y524 HydrophobicContact CB-CE2 3.95Å; A481-Y524 HydrophobicContact CB-CD1 4.42Å; A481-Y524 HydrophobicContact CB-CE1 3.45Å; A481-Y524 VanDerWaalsContact CB-CE1 3.45Å; A481-Y524 PolarHBondContact N-OH 2.92Å; C510-Y524 HydrophobicContact CB-CD2 4.17Å; C510-Y524 HydrophobicContact CB-CG 4.06Å; C510-Y524 WeakPolarHBondContact SG-CD2 3.3Å; C510-Y524 WeakPolarHBondContact SG-CE2 3.46Å; E512-Y524 WeakPolarHBondContact OE1-CE2 3.44Å; L519-Y524 HydrophobicContact CD1-CD2 4.24Å; S520-Y524 PolarHBondContact O-N 2.79Å; I521-Y524 PolarHBondContact O-N 3.45Å; E522-Y524 VanDerWaalsContact C-N 3.31Å; E522-Y524 PolarHBondContact O-N 2.96Å; Y524-S527 WeakPolarHBondContact O-CB 3.08Å; Y524-S527 PolarHBondContact O-N 3.33Å; Y524-S527 PolarHBondContact O-OG 3.32Å; Y524-C529 HydrophobicContact CD2-CB 4.22Å; Y524-C529 HydrophobicContact CE1-CB 4.49Å; Y524-C529 HydrophobicContact CE2-CB 3.61Å
525	W	68.6	Low	67.7	Low	18 Å²	18	86.5 Å²	86.5	7%	0.068	42%	0.424	C	S	.	.	H	α-helix	trans	-67.7	-38.4	175.9	-113.4	-73.6	0	0	0	113.6	L484 V485 I488 I521 E522 S527 S530 E532 L536	L484-W525 HydrophobicContact CB-CH2 4.08Å; L484-W525 HydrophobicContact CD2-CE3 4.26Å; L484-W525 HydrophobicContact CD2-CH2 3.4Å; L484-W525 HydrophobicContact CD2-CZ3 3.21Å; L484-W525 HydrophobicContact CG-CH2 3.57Å; L484-W525 HydrophobicContact CG-CZ3 3.88Å; V485-W525 HydrophobicContact CB-CZ2 4.25Å; V485-W525 HydrophobicContact CG2-CH2 4.47Å; V485-W525 HydrophobicContact CG2-CZ2 3.46Å; V485-W525 VanDerWaalsContact CG2-CZ2 3.46Å; I488-W525 HydrophobicContact CD1-CH2 3.31Å; I488-W525 HydrophobicContact CD1-CZ2 3.95Å; I488-W525 HydrophobicContact CD1-CZ3 4Å; I521-W525 HydrophobicContact CB-CZ3 4.47Å; I521-W525 HydrophobicContact CG1-CZ3 4.15Å; I521-W525 HydrophobicContact CG2-CE3 3.88Å; I521-W525 HydrophobicContact CG2-CZ3 3.78Å; I521-W525 PolarHBondContact O-N 3.48Å; E522-W525 WeakPolarHBondContact O-CB 3.4Å; E522-W525 PolarHBondContact O-N 2.87Å; E522-W525 VanDerWaalsContact O-N 3.1Å; W525-S527 PolarHBondContact O-N 3.08Å; W525-S530 WeakPolarHBondContact O-CB 3.24Å; W525-S530 PolarHBondContact O-OG 3.41Å; W525-E532 VanDerWaalsContact CD1-O 3.31Å; W525-E532 PolarHBondContact NE1-O 3.12Å; W525-E532 VanDerWaalsContact NE1-O 3.13Å; W525-L536 HydrophobicContact CE3-CD1 4.03Å; W525-L536 HydrophobicContact CZ3-CD1 4.2Å
526	E	66.4	Low	65.9	Low	148 Å²	148	84 Å²	84	69%	0.692	42%	0.416	S	S	*	.	H	α-helix	trans	-72	-18.7	174.7	-69.9	-173.1	156.3	0	0	112.9	E522	E522-E526 WeakPolarHBondContact O-CG 3.29Å; E522-E526 PolarHBondContact O-N 3.03Å
527	S	70.7	Confident	63.9	Low	26 Å²	26	84.6 Å²	84.6	18%	0.182	42%	0.418	C	S	.	.	S	Bend	trans	-75.3	162.7	176.8	82.3	0	0	0	0	112.6	A523 Y524 W525 C529 S530	A523-S527 WeakPolarHBondContact O-CB 3.1Å; A523-S527 PolarHBondContact O-N 3.37Å; Y524-S527 WeakPolarHBondContact O-CB 3.08Å; Y524-S527 PolarHBondContact O-N 3.33Å; Y524-S527 PolarHBondContact O-OG 3.32Å; W525-S527 PolarHBondContact O-N 3.08Å; S527-C529 PolarHBondContact O-N 3.45Å; S527-C529 WeakPolarHBondContact OG-CB 3.45Å; S527-C529 PolarHBondContact OG-N 2.69Å; S527-S530 PolarHBondContact O-N 2.93Å
528	D	69	Low	61.8	Low	172 Å²	172	83.3 Å²	83.3	92%	0.92	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-8.3	174.7	-55.6	-40.8	0	0	0	114.4
529	C	66.4	Low	59.6	Low	6 Å²	6	85 Å²	85	4%	0.041	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.2	179.4	-58.7	0	0	0	0	114	C477 R517 Y524 S527	C477-C529 HydrophobicContact CB-CB 3.93Å; C477-C529 WeakPolarHBondContact CB-SG 3.37Å; C477-C529 WeakPolarHBondContact SG-CA 3.28Å; C477-C529 WeakPolarHBondContact SG-CB 3.5Å; C477-C529 CovalentContact SG-SG 2.03Å; C477-C529 PolarHBondContact SG-SG 2.96Å; R517-C529 PolarHBondContact NH2-SG 2.88Å; Y524-C529 HydrophobicContact CD2-CB 4.22Å; Y524-C529 HydrophobicContact CE1-CB 4.49Å; Y524-C529 HydrophobicContact CE2-CB 3.61Å; S527-C529 PolarHBondContact O-N 3.45Å; S527-C529 WeakPolarHBondContact OG-CB 3.45Å; S527-C529 PolarHBondContact OG-N 2.69Å
530	S	62.5	Low	57.8	Low	24 Å²	24	86.6 Å²	86.6	17%	0.168	44%	0.44	C	S	.	.			trans	-93.8	118.5	178.1	105.5	0	0	0	0	110.6	W525 S527 E532	W525-S530 WeakPolarHBondContact O-CB 3.24Å; W525-S530 PolarHBondContact O-OG 3.41Å; S527-S530 PolarHBondContact O-N 2.93Å; S530-E532 VanDerWaalsContact C-N 3.3Å; S530-E532 PolarHBondContact OG-O 3.18Å
531	K	61.1	Low	56.5	Low	207 Å²	207	86.2 Å²	86.2	90%	0.9	43%	0.434	S	S	*	.	S	Bend	trans	-76.5	-21.5	171.3	-67.9	-175.4	-179.3	176.3	0	111.9
532	E	55.4	Low	55.7	Low	123 Å²	123	86.5 Å²	86.5	58%	0.575	44%	0.436	S	S	*	.	S	Bend	trans	-123.3	114.7	-178.5	-71.9	-175.5	174	0	0	111.5	W525 S530 V534	W525-E532 VanDerWaalsContact CD1-O 3.31Å; W525-E532 PolarHBondContact NE1-O 3.12Å; W525-E532 VanDerWaalsContact NE1-O 3.13Å; S530-E532 VanDerWaalsContact C-N 3.3Å; S530-E532 PolarHBondContact OG-O 3.18Å; E532-V534 PolarHBondContact O-N 3.28Å
533	K	52.4	Low	55.4	Low	193 Å²	193	91.1 Å²	91.1	84%	0.839	46%	0.457	S	S	*	.			trans	-81.8	100.6	174.5	-65.2	-174.3	177.8	-173.8	0	109.9
534	V	49	Very low	54.9	Low	44 Å²	44	90.8 Å²	90.8	27%	0.267	46%	0.457	S	S	.	.			trans	-104.7	126.6	171	-178	0	0	0	0	108.9	V485 T489 E532 L536	V485-V534 HydrophobicContact CG1-CG2 4.26Å; T489-V534 HydrophobicContact CG2-CG2 4.26Å; E532-V534 PolarHBondContact O-N 3.28Å; V534-L536 PolarHBondContact O-N 2.76Å
535	A	43.2	Very low	54.6	Low	92 Å²	92	90.7 Å²	90.7	76%	0.76	46%	0.456	S	S	*	.			trans	-74	110.8	176	0	0	0	0	0	110.7	K537	A535-K537 PolarHBondContact O-N 3.32Å
536	L	44.9	Very low	54.3	Low	55 Å²	55	91 Å²	91	29%	0.288	46%	0.46	S	S	.	.			trans	-75.1	113.3	168	-77	157.1	0	0	0	108.5	I488 I521 W525 V534	I488-L536 HydrophobicContact CD1-CD2 3.96Å; I521-L536 HydrophobicContact CG2-CD1 3.67Å; W525-L536 HydrophobicContact CE3-CD1 4.03Å; W525-L536 HydrophobicContact CZ3-CD1 4.2Å; V534-L536 PolarHBondContact O-N 2.76Å
537	K	38.7	Very low	54.1	Low	202 Å²	202	84.2 Å²	84.2	88%	0.878	43%	0.429	S	S	*	.			trans	-92.5	98.6	171.8	-79.6	-173.7	178	179.6	0	109.9	A535	A535-K537 PolarHBondContact O-N 3.32Å
538	T	40.1	Very low	53.4	Low	49 Å²	49	83.3 Å²	83.3	30%	0.301	42%	0.423	S	S	.	.			trans	-92.1	118	165.3	40.4	0	0	0	0	108.7	E506 S540	E506-T538 HydrophobicContact CG-CG2 3.82Å; E506-T538 WeakPolarHBondContact OE1-CB 3.37Å; E506-T538 PolarHBondContact OE1-OG1 2.92Å; T538-S540 PolarHBondContact O-N 3.19Å
539	R	36.2	Very low	52.9	Low	205 Å²	205	78.2 Å²	78.2	77%	0.774	40%	0.398	S	S	*	.			trans	-82.8	100.6	177.3	-72.6	-173	-177	-172.1	3.5	109.3
540	S	39.2	Very low	52.3	Low	74 Å²	74	79.3 Å²	79.3	52%	0.517	41%	0.405	S	S	.	.			trans	-77.3	122.3	165.6	174.5	0	0	0	0	109.7	T538 V542 L545	T538-S540 PolarHBondContact O-N 3.19Å; S540-V542 PolarHBondContact OG-O 2.78Å; S540-L545 PolarHBondContact OG-O 2.81Å
541	L	46.6	Very low	52.1	Low	37 Å²	37	83.2 Å²	83.2	19%	0.194	43%	0.432	C	S	.	.			trans	-90.7	-20.6	179.7	-78.8	176.5	0	0	0	113.9	C547 V549 Q574 L576	L541-C547 HydrophobicContact CB-CB 4.48Å; L541-V549 HydrophobicContact CD1-CB 4.34Å; L541-V549 HydrophobicContact CD1-CG1 4.17Å; L541-V549 HydrophobicContact CD1-CG2 3.23Å; L541-V549 HydrophobicContact CG-CG2 3.92Å; L541-Q574 HydrophobicContact CD2-CB 4.28Å; L541-L576 HydrophobicContact CD1-CD2 3.55Å
542	V	53.4	Low	51.9	Low	11 Å²	11	77.5 Å²	77.5	7%	0.067	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-143.4	135.9	-170.4	-175.2	0	0	0	0	110.2	S540 G544 L545 L567 F569	S540-V542 PolarHBondContact OG-O 2.78Å; V542-G544 PolarHBondContact O-N 2.87Å; V542-L545 HydrophobicContact CB-CB 4.17Å; V542-L545 HydrophobicContact CB-CD1 4Å; V542-L545 HydrophobicContact CB-CG 4.42Å; V542-L545 HydrophobicContact CG1-CD1 4.05Å; V542-L545 HydrophobicContact CG1-CG 4.48Å; V542-L545 HydrophobicContact CG2-CD1 4.39Å; V542-L545 PolarHBondContact O-N 3.27Å; V542-L545 VanDerWaalsContact O-O 3.08Å; V542-L567 HydrophobicContact CG1-CD2 4.27Å; V542-F569 HydrophobicContact CG1-CE1 4.38Å; V542-F569 HydrophobicContact CG1-CZ 4.42Å; V542-F569 HydrophobicContact CG2-CD1 4.12Å; V542-F569 HydrophobicContact CG2-CE1 3.39Å; V542-F569 HydrophobicContact CG2-CZ 3.95Å
543	H	56.5	Low	52.2	Low	192 Å²	192	75.3 Å²	75.3	89%	0.889	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	121.8	-178.5	-134.6	69.1	0	0	0	111.1	L545	H543-L545 VanDerWaalsContact C-N 3.35Å
544	G	60.2	Low	52.9	Low	25 Å²	25	66.1 Å²	66.1	26%	0.258	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-9.2	-177.6	0	0	0	0	0	115.4	V542 R559 I565	V542-G544 PolarHBondContact O-N 2.87Å; G544-R559 PolarHBondContact O-N 2.78Å; G544-I565 WeakPolarHBondContact O-CD1 3.41Å
545	L	66.4	Low	53.9	Low	1 Å²	1	65 Å²	65	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142	172.1	-64.8	175.1	0	0	0	111.7	S540 V542 H543 C556 R557 L567 I583	S540-L545 PolarHBondContact OG-O 2.81Å; V542-L545 HydrophobicContact CB-CB 4.17Å; V542-L545 HydrophobicContact CB-CD1 4Å; V542-L545 HydrophobicContact CB-CG 4.42Å; V542-L545 HydrophobicContact CG1-CD1 4.05Å; V542-L545 HydrophobicContact CG1-CG 4.48Å; V542-L545 HydrophobicContact CG2-CD1 4.39Å; V542-L545 PolarHBondContact O-N 3.27Å; V542-L545 VanDerWaalsContact O-O 3.08Å; H543-L545 VanDerWaalsContact C-N 3.35Å; L545-C556 HydrophobicContact CB-CB 4.4Å; L545-C556 HydrophobicContact CD1-CB 3.94Å; L545-C556 HydrophobicContact CD2-CB 4.35Å; L545-C556 HydrophobicContact CG-CB 4.49Å; L545-R557 CarbonylContact C-O 3.55Å; L545-R557 VanDerWaalsContact CA-O 3.27Å; L545-R557 WeakPolarHBondContact CA-O 3.08Å; L545-R557 WeakPolarHBondContact CD2-O 3.14Å; L545-L567 HydrophobicContact CD1-CD2 3.36Å; L545-L567 HydrophobicContact CD2-CD2 4.34Å; L545-L567 HydrophobicContact CG-CD2 3.84Å; L545-I583 HydrophobicContact CD2-CG2 4.46Å
546	T	62.7	Low	55.3	Low	24 Å²	24	60.6 Å²	60.6	15%	0.147	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.8	160.6	-52.7	0	0	0	0	107	C556 R557	T546-C556 CarbonylContact O-C 3.56Å; T546-C556 WeakPolarHBondContact O-CA 3.3Å; T546-R557 PolarHBondContact N-O 3.01Å; T546-R557 PolarHBondContact O-N 2.85Å
547	C	61.6	Low	56.4	Low	7 Å²	7	60.1 Å²	60.1	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	-177.7	-61.6	0	0	0	0	110.8	L541 V549 T554 E555 C556	L541-C547 HydrophobicContact CB-CB 4.48Å; C547-V549 HydrophobicContact CB-CG2 4.49Å; C547-T554 HydrophobicContact CB-CG2 4.14Å; C547-E555 CarbonylContact C-O 3.55Å; C547-E555 WeakPolarHBondContact CA-O 3.49Å; C547-C556 HydrophobicContact CB-CB 4.15Å; C547-C556 WeakPolarHBondContact CB-SG 3.21Å; C547-C556 WeakPolarHBondContact SG-CB 3.34Å; C547-C556 CovalentContact SG-SG 2.05Å; C547-C556 PolarHBondContact SG-SG 3Å
548	T	56.4	Low	58	Low	7 Å²	7	51.3 Å²	51.3	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.2	159	54.6	0	0	0	0	108.7	V503 N505 T554 E555	V503-T548 HydrophobicContact CG1-CG2 3.33Å; N505-T548 WeakPolarHBondContact ND2-CG2 3.13Å; N505-T548 WeakPolarHBondContact OD1-CG2 3.35Å; T548-T554 CarbonylContact O-C 3.55Å; T548-T554 WeakPolarHBondContact O-CA 3.5Å; T548-T554 WeakPolarHBondContact O-CG2 3.47Å; T548-E555 PolarHBondContact N-O 2.63Å; T548-E555 PolarHBondContact O-N 2.84Å; T548-E555 VanDerWaalsContact O-N 3.15Å; T548-E555 WeakPolarHBondContact OG1-CB 3.4Å; T548-E555 PolarHBondContact OG1-N 2.91Å; T548-E555 PolarHBondContact OG1-O 3.41Å
549	V	58.3	Low	59.2	Low	65 Å²	65	56.1 Å²	56.1	39%	0.394	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.3	-175.4	-164.5	0	0	0	0	108	L541 C547 T554	L541-V549 HydrophobicContact CD1-CB 4.34Å; L541-V549 HydrophobicContact CD1-CG1 4.17Å; L541-V549 HydrophobicContact CD1-CG2 3.23Å; L541-V549 HydrophobicContact CG-CG2 3.92Å; C547-V549 HydrophobicContact CB-CG2 4.49Å; V549-T554 HydrophobicContact CG2-CG2 4.5Å
550	S	54.3	Low	60.3	Low	29 Å²	29	57.6 Å²	57.6	20%	0.203	29%	0.29	C	S	.	.			trans	-126.1	172.3	165.3	76.4	0	0	0	0	109.3	L552 W553	S550-L552 PolarHBondContact O-N 3.44Å; S550-L552 PolarHBondContact OG-N 2.94Å; S550-W553 WeakPolarHBondContact CB-O 3.42Å; S550-W553 PolarHBondContact N-O 3.26Å; S550-W553 PolarHBondContact OG-N 2.87Å; S550-W553 PolarHBondContact OG-O 2.85Å
551	S	56.5	Low	61.1	Low	105 Å²	105	58.6 Å²	58.6	73%	0.734	30%	0.297	S	S	*	.	S	Bend	trans	-68.4	-18.5	173.1	51.5	0	0	0	0	113.5
552	L	57.5	Low	61.5	Low	87 Å²	87	58 Å²	58	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-104.9	-40.9	-175.5	-66.8	174.2	0	0	0	112.7	S550 S579 V580	S550-L552 PolarHBondContact O-N 3.44Å; S550-L552 PolarHBondContact OG-N 2.94Å; L552-S579 CarbonylContact O-C 3.45Å; L552-S579 WeakPolarHBondContact O-CA 3.38Å; L552-S579 WeakPolarHBondContact O-CB 3.32Å; L552-S579 PolarHBondContact O-N 2.74Å; L552-V580 PolarHBondContact O-N 2.89Å
553	W	61.3	Low	61.8	Low	77 Å²	77	63 Å²	63	29%	0.292	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.1	176.7	68.8	88.8	0	0	0	112.7	S550 T578 V580	S550-W553 WeakPolarHBondContact CB-O 3.42Å; S550-W553 PolarHBondContact N-O 3.26Å; S550-W553 PolarHBondContact OG-N 2.87Å; S550-W553 PolarHBondContact OG-O 2.85Å; W553-T578 WeakPolarHBondContact CA-OG1 3.47Å; W553-T578 PolarHBondContact N-OG1 2.78Å; W553-V580 CarbonylContact C-O 3.51Å; W553-V580 WeakPolarHBondContact CA-O 3.45Å; W553-V580 HydrophobicContact CB-CB 3.91Å
554	T	68.2	Low	62.1	Low	1 Å²	1	58.9 Å²	58.9	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.6	168.4	-59.2	0	0	0	0	107.8	C547 T548 V549 L576 T578 V580 L581 R582	C547-T554 HydrophobicContact CB-CG2 4.14Å; T548-T554 CarbonylContact O-C 3.55Å; T548-T554 WeakPolarHBondContact O-CA 3.5Å; T548-T554 WeakPolarHBondContact O-CG2 3.47Å; V549-T554 HydrophobicContact CG2-CG2 4.5Å; T554-L576 HydrophobicContact CG2-CD2 3.81Å; T554-T578 PolarHBondContact N-OG1 3.32Å; T554-T578 VanDerWaalsContact N-OG1 3.14Å; T554-T578 VanDerWaalsContact OG1-CB 3.26Å; T554-T578 WeakPolarHBondContact OG1-CB 3.24Å; T554-T578 WeakPolarHBondContact OG1-CG2 3.16Å; T554-T578 PolarHBondContact OG1-OG1 3.46Å; T554-V580 PolarHBondContact N-O 2.99Å; T554-L581 HydrophobicContact CG2-CD1 3.95Å; T554-L581 CarbonylContact O-C 3.43Å; T554-L581 WeakPolarHBondContact O-CA 3.36Å; T554-R582 PolarHBondContact O-N 3.38Å
555	E	69.2	Low	62.4	Low	19 Å²	19	58 Å²	58	9%	0.089	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.2	171	-177.3	170.1	146.4	0	0	109.6	C547 T548 R557 R582	C547-E555 CarbonylContact C-O 3.55Å; C547-E555 WeakPolarHBondContact CA-O 3.49Å; T548-E555 PolarHBondContact N-O 2.63Å; T548-E555 PolarHBondContact O-N 2.84Å; T548-E555 VanDerWaalsContact O-N 3.15Å; T548-E555 WeakPolarHBondContact OG1-CB 3.4Å; T548-E555 PolarHBondContact OG1-N 2.91Å; T548-E555 PolarHBondContact OG1-O 3.41Å; E555-R557 IonicContact OE1-CZ 2.7Å; E555-R557 IonicContact OE1-NE 2.65Å; E555-R557 PolarHBondContact OE1-NE 2.95Å; E555-R557 VanDerWaalsContact OE1-NE 3.16Å; E555-R557 IonicContact OE1-NH2 2.81Å; E555-R557 PolarHBondContact OE1-NH2 2.97Å; E555-R582 CarbonylContact C-O 3.58Å; E555-R582 WeakPolarHBondContact CA-O 3.25Å; E555-R582 HydrophobicContact CB-CB 4.43Å; E555-R582 HydrophobicContact CG-CB 4.3Å; E555-R582 HydrophobicContact CG-CG 4.42Å; E555-R582 IonicContact OE2-NH1 3.61Å
556	C	72.4	Confident	62.3	Low	1 Å²	1	61.4 Å²	61.4	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.6	177.2	-65.1	0	0	0	0	111.2	L545 T546 C547 R582 I583 S584	L545-C556 HydrophobicContact CB-CB 4.4Å; L545-C556 HydrophobicContact CD1-CB 3.94Å; L545-C556 HydrophobicContact CD2-CB 4.35Å; L545-C556 HydrophobicContact CG-CB 4.49Å; T546-C556 CarbonylContact O-C 3.56Å; T546-C556 WeakPolarHBondContact O-CA 3.3Å; C547-C556 HydrophobicContact CB-CB 4.15Å; C547-C556 WeakPolarHBondContact CB-SG 3.21Å; C547-C556 WeakPolarHBondContact SG-CB 3.34Å; C547-C556 CovalentContact SG-SG 2.05Å; C547-C556 PolarHBondContact SG-SG 3Å; C556-R582 PolarHBondContact N-O 2.87Å; C556-I583 HydrophobicContact CB-CG1 4.37Å; C556-I583 WeakPolarHBondContact O-CA 3.31Å; C556-S584 PolarHBondContact O-N 2.95Å
557	R	69.5	Low	62.5	Low	44 Å²	44	60.3 Å²	60.3	17%	0.166	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.3	174.2	-64.2	-175.4	-177.9	173.7	3.4	111.1	S469 D507 L545 T546 E555	S469-R557 PolarHBondContact OG-NH2 2.94Å; D507-R557 WeakPolarHBondContact OD2-CD 3.47Å; D507-R557 IonicContact OD2-CZ 3.16Å; D507-R557 IonicContact OD2-NH1 3.61Å; D507-R557 PolarHBondContact OD2-NH1 2.89Å; L545-R557 CarbonylContact C-O 3.55Å; L545-R557 VanDerWaalsContact CA-O 3.27Å; L545-R557 WeakPolarHBondContact CA-O 3.08Å; L545-R557 WeakPolarHBondContact CD2-O 3.14Å; T546-R557 PolarHBondContact N-O 3.01Å; T546-R557 PolarHBondContact O-N 2.85Å; E555-R557 IonicContact OE1-CZ 2.7Å; E555-R557 IonicContact OE1-NE 2.65Å; E555-R557 PolarHBondContact OE1-NE 2.95Å; E555-R557 VanDerWaalsContact OE1-NE 3.16Å; E555-R557 IonicContact OE1-NH2 2.81Å; E555-R557 PolarHBondContact OE1-NH2 2.97Å
558	C	71.2	Confident	62.3	Low	18 Å²	18	63.3 Å²	63.3	12%	0.122	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.3	175.9	-68.9	0	0	0	0	111.3	R560 I565 C586	C558-R560 PolarHBondContact O-N 2.83Å; C558-I565 HydrophobicContact CB-CD1 3.32Å; C558-I565 WeakPolarHBondContact SG-CD1 3.35Å; C558-C586 HydrophobicContact CB-CB 3.72Å; C558-C586 WeakPolarHBondContact CB-SG 3.24Å; C558-C586 WeakPolarHBondContact SG-CB 3.39Å; C558-C586 CovalentContact SG-SG 2.01Å; C558-C586 PolarHBondContact SG-SG 2.85Å
559	R	66.4	Low	62.4	Low	150 Å²	150	63.9 Å²	63.9	57%	0.566	33%	0.328	S	S	*	.			trans	-65	134	173.1	-161.2	176.7	-167.5	-177.2	4.2	109.2	G544 S561 A562	G544-R559 PolarHBondContact O-N 2.78Å; R559-S561 PolarHBondContact O-N 2.76Å; R559-A562 PolarHBondContact O-N 2.78Å
560	R	59.5	Low	62	Low	235 Å²	235	65.6 Å²	65.6	89%	0.887	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.6	-177.6	-75	-172.9	-177.5	166.5	3.9	115.1	C558 A562	C558-R560 PolarHBondContact O-N 2.83Å; R560-A562 VanDerWaalsContact C-N 3.27Å; R560-A562 PolarHBondContact O-N 2.74Å
561	S	55.2	Low	61.5	Low	96 Å²	96	67.4 Å²	67.4	67%	0.671	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.4	179.7	59.4	0	0	0	0	114.1	R559	R559-S561 PolarHBondContact O-N 2.76Å
562	A	55.5	Low	61	Low	23 Å²	23	64 Å²	64	19%	0.19	34%	0.34	C	S	.	.			trans	-101.6	103	-175.3	0	0	0	0	0	110.2	R559 R560 K564 I565 T587	R559-A562 PolarHBondContact O-N 2.78Å; R560-A562 VanDerWaalsContact C-N 3.27Å; R560-A562 PolarHBondContact O-N 2.74Å; A562-K564 VanDerWaalsContact C-N 3.3Å; A562-I565 HydrophobicContact CB-CD1 3.64Å; A562-I565 HydrophobicContact CB-CG1 3.47Å; A562-I565 VanDerWaalsContact CB-CG1 3.47Å; A562-T587 PolarHBondContact O-OG1 3.44Å
563	T	58.7	Low	59.9	Low	117 Å²	117	65.7 Å²	65.7	72%	0.718	36%	0.359	S	S	*	.	S	Bend	trans	-70.4	-28.4	178.4	49.4	0	0	0	0	112.7	T587	T563-T587 PolarHBondContact O-OG1 3.46Å
564	K	63.7	Low	59.2	Low	105 Å²	105	67.8 Å²	67.8	46%	0.457	37%	0.373	S	S	.	.	S	Bend	trans	-141.6	122.5	175.5	-178.7	177.2	-178.9	177.2	0	108.6	A562	A562-K564 VanDerWaalsContact C-N 3.3Å
565	I	66.6	Low	58.3	Low	8 Å²	8	70.6 Å²	70.6	4%	0.041	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120	175.3	-72	161.2	0	0	0	108.9	G544 C558 A562 L567 E588 L590	G544-I565 WeakPolarHBondContact O-CD1 3.41Å; C558-I565 HydrophobicContact CB-CD1 3.32Å; C558-I565 WeakPolarHBondContact SG-CD1 3.35Å; A562-I565 HydrophobicContact CB-CD1 3.64Å; A562-I565 HydrophobicContact CB-CG1 3.47Å; A562-I565 VanDerWaalsContact CB-CG1 3.47Å; I565-L567 HydrophobicContact CG2-CD2 3.58Å; I565-L567 HydrophobicContact CG2-CG 3.99Å; I565-E588 PolarHBondContact N-O 2.87Å; I565-L590 PolarHBondContact O-N 2.77Å
566	V	64	Low	58	Low	71 Å²	71	70 Å²	70	43%	0.43	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	111	164.6	-175.2	0	0	0	0	106	D568 L590	V566-D568 PolarHBondContact O-N 3.45Å; V566-D568 VanDerWaalsContact O-N 3.13Å; V566-L590 HydrophobicContact CG2-CB 4.49Å; V566-L590 HydrophobicContact CG2-CD2 4.14Å
567	L	66.8	Low	57.7	Low	1 Å²	1	75 Å²	75	1%	0.005	42%	0.42	C	S	.	.			trans	-78.8	102.1	173.8	-64.3	173	0	0	0	108.3	V542 L545 I565 F569 I583 I589 L590 L591	V542-L567 HydrophobicContact CG1-CD2 4.27Å; L545-L567 HydrophobicContact CD1-CD2 3.36Å; L545-L567 HydrophobicContact CD2-CD2 4.34Å; L545-L567 HydrophobicContact CG-CD2 3.84Å; I565-L567 HydrophobicContact CG2-CD2 3.58Å; I565-L567 HydrophobicContact CG2-CG 3.99Å; L567-F569 HydrophobicContact CB-CD2 4.26Å; L567-F569 HydrophobicContact CB-CE2 3.84Å; L567-F569 HydrophobicContact CD1-CE2 4.42Å; L567-F569 HydrophobicContact CD2-CE2 4.4Å; L567-F569 HydrophobicContact CG-CE2 4.45Å; L567-I583 HydrophobicContact CD1-CD1 3.77Å; L567-I589 HydrophobicContact CD1-CG2 3.66Å; L567-I589 HydrophobicContact CG-CG2 4.12Å; L567-L590 PolarHBondContact N-O 2.8Å; L567-L591 HydrophobicContact CB-CD2 3.64Å; L567-L591 HydrophobicContact CD1-CD2 3.49Å; L567-L591 VanDerWaalsContact CD1-CD2 3.49Å; L567-L591 HydrophobicContact CG-CD2 4.01Å
568	D	57.4	Low	57.5	Low	71 Å²	71	73.2 Å²	73.2	38%	0.38	41%	0.414	S	S	.	.			trans	-107.5	105.8	170	-174	0.1	0	0	0	109	V566 T570	V566-D568 PolarHBondContact O-N 3.45Å; V566-D568 VanDerWaalsContact O-N 3.13Å; D568-T570 VanDerWaalsContact CG-OG1 3.27Å; D568-T570 WeakPolarHBondContact OD1-CB 3.45Å; D568-T570 VanDerWaalsContact OD1-CG2 3.22Å; D568-T570 WeakPolarHBondContact OD1-CG2 3.38Å; D568-T570 PolarHBondContact OD1-N 2.99Å; D568-T570 PolarHBondContact OD1-OG1 2.96Å; D568-T570 PolarHBondContact OD2-OG1 2.94Å
569	F	57.7	Low	57.8	Low	18 Å²	18	74.1 Å²	74.1	8%	0.079	42%	0.42	C	S	.	.			trans	-91.2	1.9	175.4	-73.7	-89.9	0	0	0	112.7	V542 L567 G571 A572 L576 L595	V542-F569 HydrophobicContact CG1-CE1 4.38Å; V542-F569 HydrophobicContact CG1-CZ 4.42Å; V542-F569 HydrophobicContact CG2-CD1 4.12Å; V542-F569 HydrophobicContact CG2-CE1 3.39Å; V542-F569 HydrophobicContact CG2-CZ 3.95Å; L567-F569 HydrophobicContact CB-CD2 4.26Å; L567-F569 HydrophobicContact CB-CE2 3.84Å; L567-F569 HydrophobicContact CD1-CE2 4.42Å; L567-F569 HydrophobicContact CD2-CE2 4.4Å; L567-F569 HydrophobicContact CG-CE2 4.45Å; F569-G571 PolarHBondContact O-N 3.25Å; F569-A572 PolarHBondContact O-N 2.89Å; F569-L576 HydrophobicContact CE1-CD1 3.59Å; F569-L576 HydrophobicContact CE1-CG 4.36Å; F569-L576 HydrophobicContact CZ-CD1 4.03Å; F569-L595 HydrophobicContact CD2-CD2 3.45Å; F569-L595 VanDerWaalsContact CD2-CD2 3.45Å; F569-L595 HydrophobicContact CE2-CD2 3.14Å; F569-L595 HydrophobicContact CG-CD2 4.45Å; F569-L595 HydrophobicContact CZ-CD2 3.96Å
570	T	50	Low	58.4	Low	102 Å²	102	69 Å²	69	63%	0.626	41%	0.405	S	S	*	.	S	Bend	trans	-67.1	-25.3	-176.4	64.9	0	0	0	0	113.1	D568 W593	D568-T570 VanDerWaalsContact CG-OG1 3.27Å; D568-T570 WeakPolarHBondContact OD1-CB 3.45Å; D568-T570 VanDerWaalsContact OD1-CG2 3.22Å; D568-T570 WeakPolarHBondContact OD1-CG2 3.38Å; D568-T570 PolarHBondContact OD1-N 2.99Å; D568-T570 PolarHBondContact OD1-OG1 2.96Å; D568-T570 PolarHBondContact OD2-OG1 2.94Å; T570-W593 HydrophobicContact CG2-CE3 4.31Å
571	G	44	Very low	59.6	Low	67 Å²	67	57.8 Å²	57.8	69%	0.691	36%	0.363	S	S	*	.	S	Bend	trans	-101.9	-9.6	179.5	0	0	0	0	0	115.8	F569 S573	F569-G571 PolarHBondContact O-N 3.25Å; G571-S573 PolarHBondContact O-N 3.35Å; G571-S573 VanDerWaalsContact O-N 3.1Å
572	A	45.7	Very low	60.9	Low	32 Å²	32	56.6 Å²	56.6	26%	0.264	34%	0.344	S	S	.	.			trans	-78.1	98.5	176.3	0	0	0	0	0	108.7	F569 Q574	F569-A572 PolarHBondContact O-N 2.89Å; A572-Q574 PolarHBondContact O-N 3.25Å
573	S	36.2	Very low	62.3	Low	123 Å²	123	55.5 Å²	55.5	86%	0.86	34%	0.335	S	S	*	.	S	Bend	trans	-63.3	11.4	173.5	59.8	0	0	0	0	114.5	G571	G571-S573 PolarHBondContact O-N 3.35Å; G571-S573 VanDerWaalsContact O-N 3.1Å
574	Q	45.2	Very low	63.4	Low	122 Å²	122	50.3 Å²	50.3	57%	0.57	30%	0.303	S	S	*	.	S	Bend	trans	-122.9	96.6	169.3	-63.8	-172.8	10.5	0	0	108.4	L541 A572 L576	L541-Q574 HydrophobicContact CD2-CB 4.28Å; A572-Q574 PolarHBondContact O-N 3.25Å; Q574-L576 PolarHBondContact O-N 3.38Å
575	A	49.4	Very low	63.9	Low	59 Å²	59	50.8 Å²	50.8	49%	0.488	31%	0.311	S	S	.	.			trans	-52.7	134.4	165	0	0	0	0	0	109.6	N577	A575-N577 PolarHBondContact O-N 2.71Å; A575-N577 VanDerWaalsContact O-N 3.12Å
576	L	62.9	Low	64.4	Low	6 Å²	6	50.8 Å²	50.8	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	106.2	172.5	-76.1	169	0	0	0	108.6	L541 T554 F569 Q574 L581 G597 Q598 I599	L541-L576 HydrophobicContact CD1-CD2 3.55Å; T554-L576 HydrophobicContact CG2-CD2 3.81Å; F569-L576 HydrophobicContact CE1-CD1 3.59Å; F569-L576 HydrophobicContact CE1-CG 4.36Å; F569-L576 HydrophobicContact CZ-CD1 4.03Å; Q574-L576 PolarHBondContact O-N 3.38Å; L576-L581 HydrophobicContact CD1-CD1 4Å; L576-L581 HydrophobicContact CD1-CD2 3.95Å; L576-G597 CarbonylContact O-C 3.07Å; L576-G597 VanDerWaalsContact O-CA 3.28Å; L576-G597 WeakPolarHBondContact O-CA 3.24Å; L576-Q598 PolarHBondContact O-N 2.82Å; L576-I599 HydrophobicContact CB-CD1 4.17Å
577	N	65.6	Low	65.2	Low	107 Å²	107	52 Å²	52	57%	0.572	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	94.9	169.3	-73.2	-9	0	0	0	108.3	A575 Q598	A575-N577 PolarHBondContact O-N 2.71Å; A575-N577 VanDerWaalsContact O-N 3.12Å; N577-Q598 WeakPolarHBondContact OD1-CB 3.33Å; N577-Q598 PolarHBondContact OD1-N 2.83Å
578	T	66.8	Low	66	Low	6 Å²	6	54.1 Å²	54.1	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145	-177	-171.9	0	0	0	0	109.2	W553 T554 V580 L581 Q598 I599	W553-T578 WeakPolarHBondContact CA-OG1 3.47Å; W553-T578 PolarHBondContact N-OG1 2.78Å; T554-T578 PolarHBondContact N-OG1 3.32Å; T554-T578 VanDerWaalsContact N-OG1 3.14Å; T554-T578 VanDerWaalsContact OG1-CB 3.26Å; T554-T578 WeakPolarHBondContact OG1-CB 3.24Å; T554-T578 WeakPolarHBondContact OG1-CG2 3.16Å; T554-T578 PolarHBondContact OG1-OG1 3.46Å; T578-V580 PolarHBondContact OG1-O 2.77Å; T578-L581 HydrophobicContact CG2-CB 4.31Å; T578-Q598 PolarHBondContact N-O 2.73Å; T578-I599 HydrophobicContact CG2-CG1 4.17Å; T578-I599 VanDerWaalsContact O-CA 3.26Å; T578-I599 WeakPolarHBondContact O-CA 3.07Å
579	S	76.5	Confident	67.3	Low	37 Å²	37	50.7 Å²	50.7	26%	0.259	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-40.1	176.7	-64.1	0	0	0	0	111.6	L552 Q600 T601	L552-S579 CarbonylContact O-C 3.45Å; L552-S579 WeakPolarHBondContact O-CA 3.38Å; L552-S579 WeakPolarHBondContact O-CB 3.32Å; L552-S579 PolarHBondContact O-N 2.74Å; S579-Q600 CarbonylContact O-C 3.56Å; S579-Q600 WeakPolarHBondContact O-CA 3.33Å; S579-Q600 WeakPolarHBondContact O-CB 3.37Å; S579-Q600 PolarHBondContact O-N 2.77Å; S579-Q600 PolarHBondContact OG-OE1 3.21Å; S579-T601 PolarHBondContact O-N 2.96Å
580	V	80.4	Confident	68.6	Low	42 Å²	42	51.1 Å²	51.1	26%	0.255	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.5	-176.8	-174.8	0	0	0	0	111.4	L552 W553 T554 T578 T601 I603	L552-V580 PolarHBondContact O-N 2.89Å; W553-V580 CarbonylContact C-O 3.51Å; W553-V580 WeakPolarHBondContact CA-O 3.45Å; W553-V580 HydrophobicContact CB-CB 3.91Å; T554-V580 PolarHBondContact N-O 2.99Å; T578-V580 PolarHBondContact OG1-O 2.77Å; V580-T601 CarbonylContact C-O 3.51Å; V580-T601 WeakPolarHBondContact CA-O 3.14Å; V580-T601 HydrophobicContact CG1-CG2 4.15Å; V580-I603 HydrophobicContact CG1-CD1 3.93Å; V580-I603 HydrophobicContact CG1-CG1 4.28Å
581	L	83.5	Confident	70.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.1	168.7	174.7	61.9	0	0	0	109.8	T554 L576 T578 I583 I599 T601 I602 I603	T554-L581 HydrophobicContact CG2-CD1 3.95Å; T554-L581 CarbonylContact O-C 3.43Å; T554-L581 WeakPolarHBondContact O-CA 3.36Å; L576-L581 HydrophobicContact CD1-CD1 4Å; L576-L581 HydrophobicContact CD1-CD2 3.95Å; T578-L581 HydrophobicContact CG2-CB 4.31Å; L581-I583 HydrophobicContact CD1-CG1 4.27Å; L581-I583 HydrophobicContact CD2-CD1 4.3Å; L581-I583 HydrophobicContact CG-CD1 4.49Å; L581-I583 HydrophobicContact CG-CG1 4.17Å; L581-I599 HydrophobicContact CB-CD1 4.06Å; L581-I599 HydrophobicContact CB-CG2 3.91Å; L581-I599 HydrophobicContact CD2-CD1 3.77Å; L581-T601 PolarHBondContact N-O 3.01Å; L581-I602 HydrophobicContact CB-CG1 4.37Å; L581-I602 CarbonylContact O-C 3.59Å; L581-I602 VanDerWaalsContact O-CA 3.28Å; L581-I602 WeakPolarHBondContact O-CA 3.36Å; L581-I603 PolarHBondContact O-N 2.72Å
582	R	82.8	Confident	71.8	Confident	70 Å²	70	45 Å²	45	26%	0.264	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.9	172.3	-174.6	177.1	-167.8	-175.5	9.4	110	T554 E555 C556 S584 I603	T554-R582 PolarHBondContact O-N 3.38Å; E555-R582 CarbonylContact C-O 3.58Å; E555-R582 WeakPolarHBondContact CA-O 3.25Å; E555-R582 HydrophobicContact CB-CB 4.43Å; E555-R582 HydrophobicContact CG-CB 4.3Å; E555-R582 HydrophobicContact CG-CG 4.42Å; E555-R582 IonicContact OE2-NH1 3.61Å; C556-R582 PolarHBondContact N-O 2.87Å; R582-S584 WeakPolarHBondContact CG-OG 3.38Å; R582-S584 PolarHBondContact NE-OG 3.48Å; R582-I603 CarbonylContact C-O 3.58Å; R582-I603 WeakPolarHBondContact CA-O 3.46Å; R582-I603 HydrophobicContact CB-CB 4.29Å; R582-I603 HydrophobicContact CG-CB 4.1Å; R582-I603 HydrophobicContact CG-CG2 4.28Å
583	I	84.7	Confident	73.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.3	171.5	-49.7	-174.9	0	0	0	108.1	L545 C556 L567 L581 I589 I603 F604 N605	L545-I583 HydrophobicContact CD2-CG2 4.46Å; C556-I583 HydrophobicContact CB-CG1 4.37Å; C556-I583 WeakPolarHBondContact O-CA 3.31Å; L567-I583 HydrophobicContact CD1-CD1 3.77Å; L581-I583 HydrophobicContact CD1-CG1 4.27Å; L581-I583 HydrophobicContact CD2-CD1 4.3Å; L581-I583 HydrophobicContact CG-CD1 4.49Å; L581-I583 HydrophobicContact CG-CG1 4.17Å; I583-I589 HydrophobicContact CB-CD1 4.47Å; I583-I589 HydrophobicContact CG2-CD1 3.55Å; I583-I603 PolarHBondContact N-O 3.44Å; I583-F604 HydrophobicContact CB-CD1 4.1Å; I583-F604 HydrophobicContact CB-CE1 4.25Å; I583-F604 HydrophobicContact CD1-CE1 3.91Å; I583-F604 HydrophobicContact CG1-CE1 4.37Å; I583-F604 WeakPolarHBondContact O-CA 3.24Å; I583-N605 PolarHBondContact O-N 3.13Å
584	S	82.2	Confident	75	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.8	-172.9	-58.2	0	0	0	0	114	C556 R582 C586 N605	C556-S584 PolarHBondContact O-N 2.95Å; R582-S584 WeakPolarHBondContact CG-OG 3.38Å; R582-S584 PolarHBondContact NE-OG 3.48Å; S584-C586 PolarHBondContact O-SG 3.06Å; S584-N605 WeakPolarHBondContact CA-O 3.38Å
585	N	74.1	Confident	76.5	Confident	116 Å²	116	39.5 Å²	39.5	62%	0.62	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	58.2	53.2	172.4	-162.1	19.6	0	0	0	113.1	N605	N585-N605 PolarHBondContact N-O 3.31Å
586	C	76.3	Confident	77.6	Confident	7 Å²	7	40 Å²	40	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.5	-179.3	-61.7	0	0	0	0	109.9	C558 S584 I589 S606 V607	C558-C586 HydrophobicContact CB-CB 3.72Å; C558-C586 WeakPolarHBondContact CB-SG 3.24Å; C558-C586 WeakPolarHBondContact SG-CB 3.39Å; C558-C586 CovalentContact SG-SG 2.01Å; C558-C586 PolarHBondContact SG-SG 2.85Å; S584-C586 PolarHBondContact O-SG 3.06Å; C586-I589 HydrophobicContact CB-CD1 3.75Å; C586-I589 HydrophobicContact CB-CG1 3.53Å; C586-S606 PolarHBondContact N-O 3.07Å; C586-V607 HydrophobicContact CB-CB 4.33Å; C586-V607 HydrophobicContact CB-CG1 3.64Å; C586-V607 WeakPolarHBondContact O-CA 3.15Å
587	T	80.4	Confident	78.2	Confident	97 Å²	97	39.9 Å²	39.9	60%	0.595	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	-47	176.8	47.3	0	0	0	0	111.6	A562 T563 K608	A562-T587 PolarHBondContact O-OG1 3.44Å; T563-T587 PolarHBondContact O-OG1 3.46Å; T587-K608 VanDerWaalsContact O-CB 3.24Å; T587-K608 WeakPolarHBondContact O-CB 3.48Å
588	E	84.3	Confident	78.9	Confident	45 Å²	45	40.3 Å²	40.3	21%	0.21	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	129.4	174.8	-169.7	168.2	-133.4	0	0	110.7	I565 K608	I565-E588 PolarHBondContact N-O 2.87Å; E588-K608 CarbonylContact C-O 3.54Å; E588-K608 WeakPolarHBondContact CA-O 3.17Å; E588-K608 HydrophobicContact CB-CB 4.44Å; E588-K608 HydrophobicContact CG-CB 4.43Å; E588-K608 HydrophobicContact CG-CD 4.15Å; E588-K608 HydrophobicContact CG-CG 4.42Å; E588-K608 WeakPolarHBondContact OE1-CD 3.27Å; E588-K608 VanDerWaalsContact OE1-CE 3.31Å; E588-K608 WeakPolarHBondContact OE1-CE 3.34Å; E588-K608 IonicContact OE1-NZ 3.23Å; E588-K608 PolarHBondContact OE1-NZ 2.97Å
589	I	85.2	Confident	79.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.2	173.1	-58.3	177.5	0	0	0	108.3	L567 I583 C586 L591 F604 V607 K608 L609 L610	L567-I589 HydrophobicContact CD1-CG2 3.66Å; L567-I589 HydrophobicContact CG-CG2 4.12Å; I583-I589 HydrophobicContact CB-CD1 4.47Å; I583-I589 HydrophobicContact CG2-CD1 3.55Å; C586-I589 HydrophobicContact CB-CD1 3.75Å; C586-I589 HydrophobicContact CB-CG1 3.53Å; I589-L591 HydrophobicContact CG2-CD2 4.08Å; I589-L591 HydrophobicContact CG2-CG 3.99Å; I589-F604 HydrophobicContact CD1-CD1 4.4Å; I589-V607 HydrophobicContact CD1-CB 4.25Å; I589-V607 HydrophobicContact CD1-CG1 3.89Å; I589-K608 PolarHBondContact N-O 3.27Å; I589-L609 HydrophobicContact CB-CD1 3.99Å; I589-L609 HydrophobicContact CG2-CD1 4.03Å; I589-L610 PolarHBondContact O-N 2.98Å
590	L	83.8	Confident	80.3	Confident	26 Å²	26	41.9 Å²	41.9	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.5	166.8	171.5	58.1	0	0	0	109.2	I565 V566 L567 L610 A612	I565-L590 PolarHBondContact O-N 2.77Å; V566-L590 HydrophobicContact CG2-CB 4.49Å; V566-L590 HydrophobicContact CG2-CD2 4.14Å; L567-L590 PolarHBondContact N-O 2.8Å; L590-L610 HydrophobicContact CD1-CB 4.17Å; L590-L610 HydrophobicContact CD1-CD2 3.69Å; L590-L610 HydrophobicContact CD1-CG 3.7Å; L590-A612 HydrophobicContact CD1-CB 4.22Å
591	L	84.5	Confident	80.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	96.2	168.2	-67.1	-174.8	0	0	0	109.5	L567 I589 F604 L609 L610 L611 A612 V615	L567-L591 HydrophobicContact CB-CD2 3.64Å; L567-L591 HydrophobicContact CD1-CD2 3.49Å; L567-L591 VanDerWaalsContact CD1-CD2 3.49Å; L567-L591 HydrophobicContact CG-CD2 4.01Å; I589-L591 HydrophobicContact CG2-CD2 4.08Å; I589-L591 HydrophobicContact CG2-CG 3.99Å; L591-F604 HydrophobicContact CD1-CE1 3.91Å; L591-F604 HydrophobicContact CD1-CE2 4.48Å; L591-F604 HydrophobicContact CD1-CZ 3.56Å; L591-L609 HydrophobicContact CD1-CD1 4.09Å; L591-L609 HydrophobicContact CG-CD1 4.25Å; L591-L610 PolarHBondContact N-O 2.81Å; L591-L611 HydrophobicContact CB-CD2 3.87Å; L591-L611 HydrophobicContact CD1-CD2 3.6Å; L591-L611 HydrophobicContact CG-CD2 4.09Å; L591-A612 PolarHBondContact O-N 2.79Å; L591-V615 HydrophobicContact CB-CB 4.19Å; L591-V615 HydrophobicContact CB-CG1 3.52Å; L591-V615 HydrophobicContact CD1-CB 4.45Å; L591-V615 WeakPolarHBondContact O-CG1 3.49Å
592	S	77.2	Confident	81.1	Confident	40 Å²	40	41.1 Å²	41.1	28%	0.28	21%	0.211	S	C	.	.			trans	-103.7	-15.5	173.5	57.6	0	0	0	0	113.4	A613	S592-A613 WeakPolarHBondContact O-CB 3.13Å
593	W	73.8	Confident	81.5	Confident	137 Å²	137	39.4 Å²	39.4	52%	0.519	21%	0.206	S	C	.	.	S	Bend	trans	-116.3	152.7	-178.7	-59	97.8	0	0	0	110.4	T570	T570-W593 HydrophobicContact CG2-CE3 4.31Å
594	S	75.1	Confident	81.8	Confident	23 Å²	23	39.4 Å²	39.4	16%	0.161	21%	0.206	C	C	.	.			trans	-73.9	133	176.8	-168.4	0	0	0	0	111.5	Q614 V615 A617 K618	S594-Q614 VanDerWaalsContact CB-O 3.31Å; S594-Q614 WeakPolarHBondContact CB-O 3.21Å; S594-Q614 PolarHBondContact OG-O 2.96Å; S594-V615 CarbonylContact C-O 3.56Å; S594-V615 VanDerWaalsContact CA-O 3.23Å; S594-V615 WeakPolarHBondContact CA-O 3.36Å; S594-V615 PolarHBondContact OG-O 2.83Å; S594-V615 VanDerWaalsContact OG-O 3.09Å; S594-A617 PolarHBondContact OG-N 3.24Å; S594-K618 WeakPolarHBondContact OG-CB 3.33Å; S594-K618 PolarHBondContact OG-N 3.12Å
595	L	76.7	Confident	82.1	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	21%	0.208	C	C	.	.			trans	-60.6	141.5	168	-62.9	173.8	0	0	0	109.5	F569 I602 V615 F616 K618 V619	F569-L595 HydrophobicContact CD2-CD2 3.45Å; F569-L595 VanDerWaalsContact CD2-CD2 3.45Å; F569-L595 HydrophobicContact CE2-CD2 3.14Å; F569-L595 HydrophobicContact CG-CD2 4.45Å; F569-L595 HydrophobicContact CZ-CD2 3.96Å; L595-I602 HydrophobicContact CD1-CD1 3.66Å; L595-V615 PolarHBondContact N-O 3.02Å; L595-F616 HydrophobicContact CD1-CD1 4.13Å; L595-F616 HydrophobicContact CD1-CE1 4Å; L595-K618 CarbonylContact O-C 3.54Å; L595-K618 VanDerWaalsContact O-C 3.31Å; L595-K618 WeakPolarHBondContact O-CB 3.26Å; L595-V619 HydrophobicContact CB-CG2 3.53Å; L595-V619 WeakPolarHBondContact O-CG2 3.26Å; L595-V619 PolarHBondContact O-N 3.13Å
596	V	73.7	Confident	82.3	Confident	68 Å²	68	37.1 Å²	37.1	41%	0.412	20%	0.198	S	C	.	.			trans	-127.9	133.8	178.9	-172.6	0	0	0	0	108.8	K618	V596-K618 HydrophobicContact CG2-CB 4.12Å; V596-K618 HydrophobicContact CG2-CD 4.32Å
597	G	75.7	Confident	82.6	Confident	4 Å²	4	37.1 Å²	37.1	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.6	174.4	-178.9	0	0	0	0	0	112.7	L576 N620	L576-G597 CarbonylContact O-C 3.07Å; L576-G597 VanDerWaalsContact O-CA 3.28Å; L576-G597 WeakPolarHBondContact O-CA 3.24Å; G597-N620 PolarHBondContact O-N 3.33Å
598	Q	79.4	Confident	82.9	Confident	116 Å²	116	37.6 Å²	37.6	54%	0.542	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	100.8	171.4	-171.5	172.4	-0.3	0	0	109	L576 N577 T578 N620	L576-Q598 PolarHBondContact O-N 2.82Å; N577-Q598 WeakPolarHBondContact OD1-CB 3.33Å; N577-Q598 PolarHBondContact OD1-N 2.83Å; T578-Q598 PolarHBondContact N-O 2.73Å; Q598-N620 WeakPolarHBondContact CA-O 3.47Å
599	I	84.8	Confident	83.2	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.3	-176.6	-52.6	168.9	0	0	0	109.5	L576 T578 L581 T601 I602 V619 N620 G621 L622	L576-I599 HydrophobicContact CB-CD1 4.17Å; T578-I599 HydrophobicContact CG2-CG1 4.17Å; T578-I599 VanDerWaalsContact O-CA 3.26Å; T578-I599 WeakPolarHBondContact O-CA 3.07Å; L581-I599 HydrophobicContact CB-CD1 4.06Å; L581-I599 HydrophobicContact CB-CG2 3.91Å; L581-I599 HydrophobicContact CD2-CD1 3.77Å; I599-T601 VanDerWaalsContact CG2-O 3.24Å; I599-T601 WeakPolarHBondContact CG2-O 3.28Å; I599-I602 HydrophobicContact CG2-CG1 3.78Å; I599-V619 HydrophobicContact CB-CG1 3.77Å; I599-V619 HydrophobicContact CD1-CG1 4.39Å; I599-V619 HydrophobicContact CG1-CG1 4.33Å; I599-N620 PolarHBondContact N-O 3.21Å; I599-G621 CarbonylContact O-C 3.54Å; I599-G621 VanDerWaalsContact O-C 3.27Å; I599-L622 WeakPolarHBondContact O-CA 3.26Å; I599-L622 PolarHBondContact O-N 2.97Å; I599-L622 VanDerWaalsContact O-N 3.07Å
600	Q	87.4	Confident	83.5	Confident	76 Å²	76	36.5 Å²	36.5	36%	0.355	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-37.3	177.8	-64.2	175.6	-30.2	0	0	112.2	S579 G621 Q623 S624	S579-Q600 CarbonylContact O-C 3.56Å; S579-Q600 WeakPolarHBondContact O-CA 3.33Å; S579-Q600 WeakPolarHBondContact O-CB 3.37Å; S579-Q600 PolarHBondContact O-N 2.77Å; S579-Q600 PolarHBondContact OG-OE1 3.21Å; Q600-G621 WeakPolarHBondContact CA-O 3.45Å; Q600-Q623 WeakPolarHBondContact O-CA 3.19Å; Q600-Q623 PolarHBondContact O-N 2.75Å; Q600-S624 PolarHBondContact O-N 2.84Å
601	T	90.4	Very high	83.8	Confident	27 Å²	27	35.3 Å²	35.3	17%	0.166	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.7	-178	-59.4	0	0	0	0	110.9	S579 V580 L581 I599 I603 S624	S579-T601 PolarHBondContact O-N 2.96Å; V580-T601 CarbonylContact C-O 3.51Å; V580-T601 WeakPolarHBondContact CA-O 3.14Å; V580-T601 HydrophobicContact CG1-CG2 4.15Å; L581-T601 PolarHBondContact N-O 3.01Å; I599-T601 VanDerWaalsContact CG2-O 3.24Å; I599-T601 WeakPolarHBondContact CG2-O 3.28Å; T601-I603 HydrophobicContact CG2-CD1 4.19Å; T601-I603 HydrophobicContact CG2-CG1 3.79Å; T601-S624 CarbonylContact C-O 3.51Å; T601-S624 VanDerWaalsContact CA-O 3.3Å; T601-S624 WeakPolarHBondContact CA-O 3.49Å; T601-S624 VanDerWaalsContact CB-OG 3.27Å; T601-S624 WeakPolarHBondContact CB-OG 3.36Å; T601-S624 WeakPolarHBondContact CG2-OG 3.41Å; T601-S624 PolarHBondContact OG1-OG 3.44Å
602	I	91.4	Very high	83.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.4	170.3	-61.2	166.9	0	0	0	108.9	L581 L595 I599 F604 F616 V619 L622 S624 V625 W626	L581-I602 HydrophobicContact CB-CG1 4.37Å; L581-I602 CarbonylContact O-C 3.59Å; L581-I602 VanDerWaalsContact O-CA 3.28Å; L581-I602 WeakPolarHBondContact O-CA 3.36Å; L595-I602 HydrophobicContact CD1-CD1 3.66Å; I599-I602 HydrophobicContact CG2-CG1 3.78Å; I602-F604 HydrophobicContact CG2-CD2 3.97Å; I602-F604 HydrophobicContact CG2-CE2 3.33Å; I602-F604 HydrophobicContact CG2-CZ 3.71Å; I602-F616 HydrophobicContact CD1-CD1 3.75Å; I602-F616 HydrophobicContact CD1-CE1 3.81Å; I602-F616 HydrophobicContact CG2-CE1 4.48Å; I602-V619 HydrophobicContact CD1-CG1 4.48Å; I602-V619 HydrophobicContact CD1-CG2 4.33Å; I602-L622 HydrophobicContact CB-CD1 4.4Å; I602-L622 HydrophobicContact CD1-CD1 3.64Å; I602-L622 HydrophobicContact CD1-CD2 4.01Å; I602-L622 HydrophobicContact CG1-CD1 3.67Å; I602-S624 PolarHBondContact N-O 3.2Å; I602-V625 CarbonylContact O-C 3.38Å; I602-V625 WeakPolarHBondContact O-CA 3.31Å; I602-W626 PolarHBondContact O-N 3.13Å
603	I	90.1	Very high	83.6	Confident	33 Å²	33	36.3 Å²	36.3	17%	0.169	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.5	180	-49.9	-178.4	0	0	0	109	V580 L581 R582 I583 T601 W626	V580-I603 HydrophobicContact CG1-CD1 3.93Å; V580-I603 HydrophobicContact CG1-CG1 4.28Å; L581-I603 PolarHBondContact O-N 2.72Å; R582-I603 CarbonylContact C-O 3.58Å; R582-I603 WeakPolarHBondContact CA-O 3.46Å; R582-I603 HydrophobicContact CB-CB 4.29Å; R582-I603 HydrophobicContact CG-CB 4.1Å; R582-I603 HydrophobicContact CG-CG2 4.28Å; I583-I603 PolarHBondContact N-O 3.44Å; T601-I603 HydrophobicContact CG2-CD1 4.19Å; T601-I603 HydrophobicContact CG2-CG1 3.79Å; I603-W626 CarbonylContact C-O 3.58Å; I603-W626 WeakPolarHBondContact CA-O 3.48Å; I603-W626 HydrophobicContact CB-CB 4.34Å; I603-W626 HydrophobicContact CG1-CB 4.11Å; I603-W626 HydrophobicContact CG1-CG 4.41Å; I603-W626 HydrophobicContact CG2-CB 4.11Å
604	F	91.5	Very high	84.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.2	167.1	-62.4	-85.5	0	0	0	108.7	I583 I589 L591 I602 V607 L609 F616 W626 I627 E628	I583-F604 HydrophobicContact CB-CD1 4.1Å; I583-F604 HydrophobicContact CB-CE1 4.25Å; I583-F604 HydrophobicContact CD1-CE1 3.91Å; I583-F604 HydrophobicContact CG1-CE1 4.37Å; I583-F604 WeakPolarHBondContact O-CA 3.24Å; I589-F604 HydrophobicContact CD1-CD1 4.4Å; L591-F604 HydrophobicContact CD1-CE1 3.91Å; L591-F604 HydrophobicContact CD1-CE2 4.48Å; L591-F604 HydrophobicContact CD1-CZ 3.56Å; I602-F604 HydrophobicContact CG2-CD2 3.97Å; I602-F604 HydrophobicContact CG2-CE2 3.33Å; I602-F604 HydrophobicContact CG2-CZ 3.71Å; F604-V607 HydrophobicContact CB-CG2 3.98Å; F604-L609 HydrophobicContact CB-CD2 4.24Å; F604-L609 HydrophobicContact CD1-CD1 3.99Å; F604-L609 HydrophobicContact CD1-CD2 4.2Å; F604-L609 HydrophobicContact CD2-CD2 4.03Å; F604-L609 HydrophobicContact CE1-CD1 4.04Å; F604-L609 HydrophobicContact CE2-CD2 4.46Å; F604-L609 HydrophobicContact CG-CD2 3.89Å; F604-F616 HydrophobicContact CE2-CE1 4.08Å; F604-F616 AromaticContact CE2-CZ 3.92Å; F604-F616 HydrophobicContact CE2-CZ 3.92Å; F604-F616 HydrophobicContact CZ-CE1 4.44Å; F604-W626 PolarHBondContact N-O 3.35Å; F604-I627 HydrophobicContact CB-CG1 4.22Å; F604-I627 HydrophobicContact CB-CG2 4.47Å; F604-I627 HydrophobicContact CD2-CG1 4.01Å; F604-I627 WeakPolarHBondContact O-CA 3.23Å; F604-E628 PolarHBondContact O-N 2.67Å
605	N	87.8	Confident	84.7	Confident	17 Å²	17	33 Å²	33	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.8	179.4	-177.3	-59	0	0	0	111.7	I583 S584 N585 V607 E628 D629	I583-N605 PolarHBondContact O-N 3.13Å; S584-N605 WeakPolarHBondContact CA-O 3.38Å; N585-N605 PolarHBondContact N-O 3.31Å; N605-V607 WeakPolarHBondContact O-CG1 3.39Å; N605-E628 VanDerWaalsContact CA-O 3.31Å; N605-E628 WeakPolarHBondContact CA-O 3.23Å; N605-E628 PolarHBondContact ND2-OE2 3.4Å; N605-D629 PolarHBondContact ND2-OD2 3.11Å
606	S	78.3	Confident	85.3	Confident	59 Å²	59	32.9 Å²	32.9	41%	0.413	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.5	52.1	178.1	-59.7	0	0	0	0	112.3	C586 E628 D629 S630	C586-S606 PolarHBondContact N-O 3.07Å; S606-E628 PolarHBondContact N-O 3.03Å; S606-D629 VanDerWaalsContact CA-O 3.31Å; S606-D629 WeakPolarHBondContact CA-O 3.26Å; S606-D629 PolarHBondContact N-O 2.75Å; S606-S630 PolarHBondContact N-OG 3.27Å
607	V	82.8	Confident	85.8	Confident	7 Å²	7	30.9 Å²	30.9	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151	-178.3	-58.9	0	0	0	0	112.8	C586 I589 F604 N605 L609 S630 A631	C586-V607 HydrophobicContact CB-CB 4.33Å; C586-V607 HydrophobicContact CB-CG1 3.64Å; C586-V607 WeakPolarHBondContact O-CA 3.15Å; I589-V607 HydrophobicContact CD1-CB 4.25Å; I589-V607 HydrophobicContact CD1-CG1 3.89Å; F604-V607 HydrophobicContact CB-CG2 3.98Å; N605-V607 WeakPolarHBondContact O-CG1 3.39Å; V607-L609 HydrophobicContact CG2-CB 4.05Å; V607-S630 WeakPolarHBondContact CG2-OG 3.38Å; V607-S630 PolarHBondContact N-OG 3.43Å; V607-S630 CarbonylContact O-C 3.53Å; V607-S630 VanDerWaalsContact O-CA 3.27Å; V607-S630 WeakPolarHBondContact O-CA 3.42Å; V607-S630 WeakPolarHBondContact O-CB 3.49Å; V607-S630 PolarHBondContact O-OG 3.08Å; V607-A631 PolarHBondContact O-N 3.12Å
608	K	87.6	Confident	86.2	Confident	107 Å²	107	37 Å²	37	47%	0.465	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.3	156.9	-169.7	-174.4	177.5	-154.4	0	108.4	T587 E588 I589 A631	T587-K608 VanDerWaalsContact O-CB 3.24Å; T587-K608 WeakPolarHBondContact O-CB 3.48Å; E588-K608 CarbonylContact C-O 3.54Å; E588-K608 WeakPolarHBondContact CA-O 3.17Å; E588-K608 HydrophobicContact CB-CB 4.44Å; E588-K608 HydrophobicContact CG-CB 4.43Å; E588-K608 HydrophobicContact CG-CD 4.15Å; E588-K608 HydrophobicContact CG-CG 4.42Å; E588-K608 WeakPolarHBondContact OE1-CD 3.27Å; E588-K608 VanDerWaalsContact OE1-CE 3.31Å; E588-K608 WeakPolarHBondContact OE1-CE 3.34Å; E588-K608 IonicContact OE1-NZ 3.23Å; E588-K608 PolarHBondContact OE1-NZ 2.97Å; I589-K608 PolarHBondContact N-O 3.27Å; K608-A631 CarbonylContact C-O 3.54Å; K608-A631 WeakPolarHBondContact CA-O 3.28Å; K608-A631 HydrophobicContact CG-CB 4.38Å
609	L	90.5	Very high	86.6	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.7	-171.8	-172.8	63.1	0	0	0	110.6	I589 L591 F604 V607 L611 I627 A631 V632 R633	I589-L609 HydrophobicContact CB-CD1 3.99Å; I589-L609 HydrophobicContact CG2-CD1 4.03Å; L591-L609 HydrophobicContact CD1-CD1 4.09Å; L591-L609 HydrophobicContact CG-CD1 4.25Å; F604-L609 HydrophobicContact CB-CD2 4.24Å; F604-L609 HydrophobicContact CD1-CD1 3.99Å; F604-L609 HydrophobicContact CD1-CD2 4.2Å; F604-L609 HydrophobicContact CD2-CD2 4.03Å; F604-L609 HydrophobicContact CE1-CD1 4.04Å; F604-L609 HydrophobicContact CE2-CD2 4.46Å; F604-L609 HydrophobicContact CG-CD2 3.89Å; V607-L609 HydrophobicContact CG2-CB 4.05Å; L609-L611 HydrophobicContact CD1-CD2 3.77Å; L609-L611 HydrophobicContact CD2-CD1 4.2Å; L609-L611 HydrophobicContact CD2-CD2 3.77Å; L609-L611 HydrophobicContact CD2-CG 4.07Å; L609-L611 HydrophobicContact CG-CD2 3.56Å; L609-L611 HydrophobicContact CG-CG 3.92Å; L609-I627 HydrophobicContact CD2-CD1 3.93Å; L609-I627 HydrophobicContact CD2-CG1 4.32Å; L609-A631 PolarHBondContact N-O 2.79Å; L609-V632 HydrophobicContact CB-CG2 4.37Å; L609-V632 CarbonylContact O-C 3.52Å; L609-V632 WeakPolarHBondContact O-CA 3.11Å; L609-R633 PolarHBondContact O-N 3.11Å
610	L	90.1	Very high	86.5	Confident	21 Å²	21	35.9 Å²	35.9	11%	0.11	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.7	171.2	177.6	57	0	0	0	109.1	I589 L590 L591 R633 E635	I589-L610 PolarHBondContact O-N 2.98Å; L590-L610 HydrophobicContact CD1-CB 4.17Å; L590-L610 HydrophobicContact CD1-CD2 3.69Å; L590-L610 HydrophobicContact CD1-CG 3.7Å; L591-L610 PolarHBondContact N-O 2.81Å; L610-R633 WeakPolarHBondContact CA-O 3.34Å; L610-R633 HydrophobicContact CD1-CB 3.82Å; L610-R633 HydrophobicContact CD1-CG 3.67Å; L610-E635 HydrophobicContact CD1-CB 4.28Å; L610-E635 HydrophobicContact CD1-CG 3.77Å
611	L	90.3	Very high	86.5	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.8	178.2	-55.5	-175.9	0	0	0	109	L591 L609 V615 R633 L634 E635 V639	L591-L611 HydrophobicContact CB-CD2 3.87Å; L591-L611 HydrophobicContact CD1-CD2 3.6Å; L591-L611 HydrophobicContact CG-CD2 4.09Å; L609-L611 HydrophobicContact CD1-CD2 3.77Å; L609-L611 HydrophobicContact CD2-CD1 4.2Å; L609-L611 HydrophobicContact CD2-CD2 3.77Å; L609-L611 HydrophobicContact CD2-CG 4.07Å; L609-L611 HydrophobicContact CG-CD2 3.56Å; L609-L611 HydrophobicContact CG-CG 3.92Å; L611-V615 HydrophobicContact CD2-CG2 4.19Å; L611-R633 PolarHBondContact N-O 2.89Å; L611-L634 HydrophobicContact CB-CD2 4.05Å; L611-L634 HydrophobicContact CD1-CD2 3.83Å; L611-L634 HydrophobicContact CG-CD2 4.28Å; L611-E635 PolarHBondContact O-N 2.78Å; L611-V639 HydrophobicContact CB-CG1 3.49Å; L611-V639 VanDerWaalsContact CB-CG1 3.49Å; L611-V639 HydrophobicContact CD1-CG1 3.64Å; L611-V639 HydrophobicContact CG-CG1 4.18Å
612	A	82.8	Confident	86.5	Confident	30 Å²	30	32.9 Å²	32.9	25%	0.248	19%	0.187	C	C	.	.			trans	-105.9	-7.1	-169.8	0	0	0	0	0	115.2	L590 L591 E635	L590-A612 HydrophobicContact CD1-CB 4.22Å; L591-A612 PolarHBondContact O-N 2.79Å; A612-E635 CarbonylContact C-O 3.57Å; A612-E635 WeakPolarHBondContact CA-O 3.38Å; A612-E635 HydrophobicContact CB-CB 4.3Å; A612-E635 VanDerWaalsContact O-O 3.13Å
613	A	76.4	Confident	86.5	Confident	32 Å²	32	37.4 Å²	37.4	26%	0.264	21%	0.208	S	C	.	.	S	Bend	trans	-156.8	-170.3	-171.5	0	0	0	0	0	112.1	S592 V615 V639	S592-A613 WeakPolarHBondContact O-CB 3.13Å; A613-V615 WeakPolarHBondContact O-CG1 3.38Å; A613-V615 PolarHBondContact O-N 2.97Å; A613-V639 WeakPolarHBondContact O-CA 3.36Å
614	Q	84.9	Confident	86.7	Confident	90 Å²	90	36.2 Å²	36.2	42%	0.421	20%	0.202	S	C	.	.			trans	-70.1	65.6	172.5	-62.2	-174.1	-0.2	0	0	112	S594 F616 A617 H638 T641	S594-Q614 VanDerWaalsContact CB-O 3.31Å; S594-Q614 WeakPolarHBondContact CB-O 3.21Å; S594-Q614 PolarHBondContact OG-O 2.96Å; Q614-F616 PolarHBondContact O-N 2.95Å; Q614-A617 HydrophobicContact CB-CB 3.76Å; Q614-A617 PolarHBondContact O-N 3.33Å; Q614-H638 HydrophobicContact CG-CB 3.85Å; Q614-H638 WeakPolarHBondContact CG-O 3.06Å; Q614-T641 WeakPolarHBondContact CG-OG1 3.4Å
615	V	85.3	Confident	86.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22	-168.3	-64.9	0	0	0	0	113.1	L591 S594 L595 L611 A613 V639	L591-V615 HydrophobicContact CB-CB 4.19Å; L591-V615 HydrophobicContact CB-CG1 3.52Å; L591-V615 HydrophobicContact CD1-CB 4.45Å; L591-V615 WeakPolarHBondContact O-CG1 3.49Å; S594-V615 CarbonylContact C-O 3.56Å; S594-V615 VanDerWaalsContact CA-O 3.23Å; S594-V615 WeakPolarHBondContact CA-O 3.36Å; S594-V615 PolarHBondContact OG-O 2.83Å; S594-V615 VanDerWaalsContact OG-O 3.09Å; L595-V615 PolarHBondContact N-O 3.02Å; L611-V615 HydrophobicContact CD2-CG2 4.19Å; A613-V615 WeakPolarHBondContact O-CG1 3.38Å; A613-V615 PolarHBondContact O-N 2.97Å; V615-V639 HydrophobicContact CG2-CG1 4.4Å
616	F	89	Confident	87.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-0.4	-179.4	-53.9	-62.3	0	0	0	114.2	L595 I602 F604 Q614 K618 V619 L622 V625 L640 T641 T642	L595-F616 HydrophobicContact CD1-CD1 4.13Å; L595-F616 HydrophobicContact CD1-CE1 4Å; I602-F616 HydrophobicContact CD1-CD1 3.75Å; I602-F616 HydrophobicContact CD1-CE1 3.81Å; I602-F616 HydrophobicContact CG2-CE1 4.48Å; F604-F616 HydrophobicContact CE2-CE1 4.08Å; F604-F616 AromaticContact CE2-CZ 3.92Å; F604-F616 HydrophobicContact CE2-CZ 3.92Å; F604-F616 HydrophobicContact CZ-CE1 4.44Å; Q614-F616 PolarHBondContact O-N 2.95Å; F616-K618 PolarHBondContact O-N 3.5Å; F616-K618 VanDerWaalsContact O-N 3.13Å; F616-V619 PolarHBondContact O-N 3.23Å; F616-L622 HydrophobicContact CB-CD2 3.91Å; F616-L622 HydrophobicContact CD1-CD2 4.08Å; F616-L622 HydrophobicContact CG-CD2 4.16Å; F616-V625 HydrophobicContact CE1-CG2 4.42Å; F616-V625 HydrophobicContact CE2-CG1 4.32Å; F616-V625 HydrophobicContact CE2-CG2 4.48Å; F616-V625 HydrophobicContact CZ-CG1 4Å; F616-V625 HydrophobicContact CZ-CG2 4.4Å; F616-L640 HydrophobicContact CD2-CD2 3.93Å; F616-L640 HydrophobicContact CE2-CD2 3.67Å; F616-T641 CarbonylContact C-O 3.51Å; F616-T641 VanDerWaalsContact C-O 3.25Å; F616-T642 HydrophobicContact CB-CG2 3.74Å
617	A	86	Confident	88	Confident	26 Å²	26	36.1 Å²	36.1	22%	0.215	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15	-171.1	0	0	0	0	0	115.2	S594 Q614 T641 I643	S594-A617 PolarHBondContact OG-N 3.24Å; Q614-A617 HydrophobicContact CB-CB 3.76Å; Q614-A617 PolarHBondContact O-N 3.33Å; A617-T641 WeakPolarHBondContact CA-O 3.23Å; A617-T641 PolarHBondContact N-O 3.31Å; A617-T641 VanDerWaalsContact N-O 3.12Å; A617-I643 WeakPolarHBondContact O-CG1 3.42Å
618	K	83.8	Confident	88.5	Confident	134 Å²	134	37.7 Å²	37.7	58%	0.583	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	10.5	178.6	-60	-174.2	-178.8	-179.6	0	114.1	S594 L595 V596 F616	S594-K618 WeakPolarHBondContact OG-CB 3.33Å; S594-K618 PolarHBondContact OG-N 3.12Å; L595-K618 CarbonylContact O-C 3.54Å; L595-K618 VanDerWaalsContact O-C 3.31Å; L595-K618 WeakPolarHBondContact O-CB 3.26Å; V596-K618 HydrophobicContact CG2-CB 4.12Å; V596-K618 HydrophobicContact CG2-CD 4.32Å; F616-K618 PolarHBondContact O-N 3.5Å; F616-K618 VanDerWaalsContact O-N 3.13Å
619	V	86.7	Confident	88.8	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.3	178.1	-172	0	0	0	0	110.1	L595 I599 I602 F616 L622	L595-V619 HydrophobicContact CB-CG2 3.53Å; L595-V619 WeakPolarHBondContact O-CG2 3.26Å; L595-V619 PolarHBondContact O-N 3.13Å; I599-V619 HydrophobicContact CB-CG1 3.77Å; I599-V619 HydrophobicContact CD1-CG1 4.39Å; I599-V619 HydrophobicContact CG1-CG1 4.33Å; I602-V619 HydrophobicContact CD1-CG1 4.48Å; I602-V619 HydrophobicContact CD1-CG2 4.33Å; F616-V619 PolarHBondContact O-N 3.23Å; V619-L622 HydrophobicContact CB-CB 4.12Å; V619-L622 HydrophobicContact CB-CD2 4.23Å; V619-L622 HydrophobicContact CG1-CB 3.85Å; V619-L622 HydrophobicContact CG1-CD1 4.25Å; V619-L622 HydrophobicContact CG1-CD2 4.37Å; V619-L622 HydrophobicContact CG1-CG 4.39Å
620	N	83.8	Confident	88.9	Confident	91 Å²	91	36.6 Å²	36.6	49%	0.487	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.4	179.3	-70.6	-28.5	0	0	0	110.7	G597 Q598 I599 L622 I643	G597-N620 PolarHBondContact O-N 3.33Å; Q598-N620 WeakPolarHBondContact CA-O 3.47Å; I599-N620 PolarHBondContact N-O 3.21Å; N620-L622 VanDerWaalsContact C-N 3.33Å; N620-L622 PolarHBondContact O-N 3.28Å; N620-I643 WeakPolarHBondContact OD1-CD1 3.29Å
621	G	86.6	Confident	89	Confident	37 Å²	37	37.8 Å²	37.8	38%	0.381	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	14.1	173.8	0	0	0	0	0	115.3	I599 Q600 Q623	I599-G621 CarbonylContact O-C 3.54Å; I599-G621 VanDerWaalsContact O-C 3.27Å; Q600-G621 WeakPolarHBondContact CA-O 3.45Å; G621-Q623 PolarHBondContact O-N 2.89Å
622	L	91.5	Very high	89.2	Confident	4 Å²	4	38 Å²	38	2%	0.021	21%	0.213	C	C	.	.			trans	-64.3	121.3	178.8	-169.1	64.9	0	0	0	110.7	I599 I602 F616 V619 N620 V625 T642 L646	I599-L622 WeakPolarHBondContact O-CA 3.26Å; I599-L622 PolarHBondContact O-N 2.97Å; I599-L622 VanDerWaalsContact O-N 3.07Å; I602-L622 HydrophobicContact CB-CD1 4.4Å; I602-L622 HydrophobicContact CD1-CD1 3.64Å; I602-L622 HydrophobicContact CD1-CD2 4.01Å; I602-L622 HydrophobicContact CG1-CD1 3.67Å; F616-L622 HydrophobicContact CB-CD2 3.91Å; F616-L622 HydrophobicContact CD1-CD2 4.08Å; F616-L622 HydrophobicContact CG-CD2 4.16Å; V619-L622 HydrophobicContact CB-CB 4.12Å; V619-L622 HydrophobicContact CB-CD2 4.23Å; V619-L622 HydrophobicContact CG1-CB 3.85Å; V619-L622 HydrophobicContact CG1-CD1 4.25Å; V619-L622 HydrophobicContact CG1-CD2 4.37Å; V619-L622 HydrophobicContact CG1-CG 4.39Å; N620-L622 VanDerWaalsContact C-N 3.33Å; N620-L622 PolarHBondContact O-N 3.28Å; L622-V625 HydrophobicContact CD1-CG2 4.48Å; L622-V625 HydrophobicContact CD2-CG2 3.86Å; L622-V625 HydrophobicContact CG-CG2 4.39Å; L622-T642 HydrophobicContact CD2-CG2 3.96Å; L622-L646 HydrophobicContact CB-CD2 4.31Å; L622-L646 HydrophobicContact CD2-CD2 4.02Å; L622-L646 HydrophobicContact CG-CD2 3.73Å
623	Q	91.3	Very high	89.7	Confident	94 Å²	94	43.7 Å²	43.7	44%	0.439	23%	0.228	S	C	.	.			trans	-108.9	-33.6	178.9	-67.2	-179.7	-9.8	0	0	111.6	Q600 G621 L646 V647 Q648	Q600-Q623 WeakPolarHBondContact O-CA 3.19Å; Q600-Q623 PolarHBondContact O-N 2.75Å; G621-Q623 PolarHBondContact O-N 2.89Å; Q623-L646 CarbonylContact O-C 3.56Å; Q623-V647 HydrophobicContact CB-CB 4.46Å; Q623-V647 HydrophobicContact CB-CG2 4.03Å; Q623-V647 HydrophobicContact CG-CG2 4.33Å; Q623-V647 WeakPolarHBondContact O-CA 3.29Å; Q623-V647 PolarHBondContact O-N 2.97Å; Q623-Q648 PolarHBondContact O-N 3.45Å
624	S	93.9	Very high	90.5	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.1	-174.7	64.3	0	0	0	0	114.4	Q600 T601 I602 Q648	Q600-S624 PolarHBondContact O-N 2.84Å; T601-S624 CarbonylContact C-O 3.51Å; T601-S624 VanDerWaalsContact CA-O 3.3Å; T601-S624 WeakPolarHBondContact CA-O 3.49Å; T601-S624 VanDerWaalsContact CB-OG 3.27Å; T601-S624 WeakPolarHBondContact CB-OG 3.36Å; T601-S624 WeakPolarHBondContact CG2-OG 3.41Å; T601-S624 PolarHBondContact OG1-OG 3.44Å; I602-S624 PolarHBondContact N-O 3.2Å; S624-Q648 WeakPolarHBondContact CA-O 3.25Å; S624-Q648 VanDerWaalsContact CB-CG 3.42Å
625	V	94.9	Very high	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.5	171.1	-180	0	0	0	0	109	I602 F616 L622 I627 L646 Q648 V649 V650	I602-V625 CarbonylContact O-C 3.38Å; I602-V625 WeakPolarHBondContact O-CA 3.31Å; F616-V625 HydrophobicContact CE1-CG2 4.42Å; F616-V625 HydrophobicContact CE2-CG1 4.32Å; F616-V625 HydrophobicContact CE2-CG2 4.48Å; F616-V625 HydrophobicContact CZ-CG1 4Å; F616-V625 HydrophobicContact CZ-CG2 4.4Å; L622-V625 HydrophobicContact CD1-CG2 4.48Å; L622-V625 HydrophobicContact CD2-CG2 3.86Å; L622-V625 HydrophobicContact CG-CG2 4.39Å; V625-I627 HydrophobicContact CG1-CG1 4.39Å; V625-L646 HydrophobicContact CG2-CD1 4.4Å; V625-L646 HydrophobicContact CG2-CD2 4.49Å; V625-Q648 PolarHBondContact N-O 2.71Å; V625-Q648 VanDerWaalsContact N-O 3.15Å; V625-V649 HydrophobicContact CB-CG1 4.43Å; V625-V649 CarbonylContact O-C 3.55Å; V625-V649 WeakPolarHBondContact O-CA 3.16Å; V625-V650 PolarHBondContact O-N 2.81Å
626	W	95.8	Very high	90.7	Very high	74 Å²	74	44 Å²	44	28%	0.28	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.5	178.3	-65.5	71.5	0	0	0	109.3	I602 I603 F604 V650	I602-W626 PolarHBondContact O-N 3.13Å; I603-W626 CarbonylContact C-O 3.58Å; I603-W626 WeakPolarHBondContact CA-O 3.48Å; I603-W626 HydrophobicContact CB-CB 4.34Å; I603-W626 HydrophobicContact CG1-CB 4.11Å; I603-W626 HydrophobicContact CG1-CG 4.41Å; I603-W626 HydrophobicContact CG2-CB 4.11Å; F604-W626 PolarHBondContact N-O 3.35Å; W626-V650 CarbonylContact C-O 3.59Å; W626-V650 WeakPolarHBondContact CA-O 3.49Å; W626-V650 HydrophobicContact CD2-CB 3.89Å; W626-V650 HydrophobicContact CD2-CG1 4.45Å; W626-V650 HydrophobicContact CD2-CG2 4Å; W626-V650 HydrophobicContact CE3-CB 3.68Å; W626-V650 HydrophobicContact CE3-CG1 3.73Å; W626-V650 HydrophobicContact CE3-CG2 3.99Å; W626-V650 HydrophobicContact CG-CB 4.36Å; W626-V650 HydrophobicContact CH2-CG2 4.24Å; W626-V650 HydrophobicContact CZ2-CG2 4.3Å; W626-V650 HydrophobicContact CZ3-CB 4.12Å; W626-V650 HydrophobicContact CZ3-CG1 3.87Å; W626-V650 HydrophobicContact CZ3-CG2 4.09Å
627	I	94.9	Very high	90.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114.8	172.6	-59.9	167.7	0	0	0	107.5	F604 L609 V625 V632 V650 F651 K652 V654	F604-I627 HydrophobicContact CB-CG1 4.22Å; F604-I627 HydrophobicContact CB-CG2 4.47Å; F604-I627 HydrophobicContact CD2-CG1 4.01Å; F604-I627 WeakPolarHBondContact O-CA 3.23Å; L609-I627 HydrophobicContact CD2-CD1 3.93Å; L609-I627 HydrophobicContact CD2-CG1 4.32Å; V625-I627 HydrophobicContact CG1-CG1 4.39Å; I627-V632 HydrophobicContact CD1-CG2 4.45Å; I627-V632 HydrophobicContact CG2-CG2 3.63Å; I627-V650 PolarHBondContact N-O 2.89Å; I627-F651 HydrophobicContact CB-CD1 4.05Å; I627-F651 HydrophobicContact CB-CE1 4.36Å; I627-F651 HydrophobicContact CD1-CD1 4.11Å; I627-F651 HydrophobicContact CD1-CE1 3.52Å; I627-F651 HydrophobicContact CD1-CZ 4.21Å; I627-F651 HydrophobicContact CG1-CE1 4.41Å; I627-F651 WeakPolarHBondContact O-CA 3.46Å; I627-K652 PolarHBondContact O-N 3.14Å; I627-V654 HydrophobicContact CB-CG2 4.46Å; I627-V654 HydrophobicContact CG2-CG2 3.97Å; I627-V654 WeakPolarHBondContact O-CG2 3.45Å
628	E	93.2	Very high	90.9	Very high	41 Å²	41	52 Å²	52	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.7	-172.1	-58	-175.7	152.8	0	0	110.8	F604 N605 S606 S630 K652	F604-E628 PolarHBondContact O-N 2.67Å; N605-E628 VanDerWaalsContact CA-O 3.31Å; N605-E628 WeakPolarHBondContact CA-O 3.23Å; N605-E628 PolarHBondContact ND2-OE2 3.4Å; S606-E628 PolarHBondContact N-O 3.03Å; E628-S630 WeakPolarHBondContact O-CB 3.29Å; E628-S630 PolarHBondContact O-N 3.1Å; E628-S630 VanDerWaalsContact O-N 3.07Å; E628-S630 PolarHBondContact O-OG 2.88Å; E628-K652 CarbonylContact C-O 3.59Å; E628-K652 VanDerWaalsContact CA-O 3.27Å; E628-K652 WeakPolarHBondContact CA-O 3.24Å; E628-K652 HydrophobicContact CG-CB 4.32Å
629	D	92.1	Very high	91.2	Very high	76 Å²	76	45.6 Å²	45.6	41%	0.406	23%	0.234	S	C	.	.	S	Bend	trans	51.4	39	172.4	-52.6	-52.9	0	0	0	113.2	N605 S606 K652 N653	N605-D629 PolarHBondContact ND2-OD2 3.11Å; S606-D629 VanDerWaalsContact CA-O 3.31Å; S606-D629 WeakPolarHBondContact CA-O 3.26Å; S606-D629 PolarHBondContact N-O 2.75Å; D629-K652 PolarHBondContact N-O 3.25Å; D629-N653 WeakPolarHBondContact CA-O 3.44Å; D629-N653 PolarHBondContact N-O 3.24Å; D629-N653 PolarHBondContact OD1-ND2 2.94Å
630	S	92.7	Very high	91.3	Very high	9 Å²	9	46 Å²	46	6%	0.063	24%	0.237	C	C	.	.			trans	-132.4	153.3	-165.2	-68	0	0	0	0	112.3	S606 V607 E628 V654 D655	S606-S630 PolarHBondContact N-OG 3.27Å; V607-S630 WeakPolarHBondContact CG2-OG 3.38Å; V607-S630 PolarHBondContact N-OG 3.43Å; V607-S630 CarbonylContact O-C 3.53Å; V607-S630 VanDerWaalsContact O-CA 3.27Å; V607-S630 WeakPolarHBondContact O-CA 3.42Å; V607-S630 WeakPolarHBondContact O-CB 3.49Å; V607-S630 PolarHBondContact O-OG 3.08Å; E628-S630 WeakPolarHBondContact O-CB 3.29Å; E628-S630 PolarHBondContact O-N 3.1Å; E628-S630 VanDerWaalsContact O-N 3.07Å; E628-S630 PolarHBondContact O-OG 2.88Å; S630-V654 VanDerWaalsContact O-CA 3.26Å; S630-V654 WeakPolarHBondContact O-CA 3.34Å; S630-V654 WeakPolarHBondContact O-CG1 3.33Å; S630-D655 PolarHBondContact O-N 3.36Å
631	A	93	Very high	91.5	Very high	45 Å²	45	42.4 Å²	42.4	37%	0.372	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.4	169.2	0	0	0	0	0	108.8	V607 K608 L609 D655	V607-A631 PolarHBondContact O-N 3.12Å; K608-A631 CarbonylContact C-O 3.54Å; K608-A631 WeakPolarHBondContact CA-O 3.28Å; K608-A631 HydrophobicContact CG-CB 4.38Å; L609-A631 PolarHBondContact N-O 2.79Å; A631-D655 CarbonylContact C-O 3.58Å; A631-D655 WeakPolarHBondContact CA-O 3.37Å
632	V	94.5	Very high	91.6	Very high	5 Å²	5	42 Å²	42	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.5	-174.9	-178.3	0	0	0	0	110.5	L609 I627 L634 V654 D655 I656	L609-V632 HydrophobicContact CB-CG2 4.37Å; L609-V632 CarbonylContact O-C 3.52Å; L609-V632 WeakPolarHBondContact O-CA 3.11Å; I627-V632 HydrophobicContact CD1-CG2 4.45Å; I627-V632 HydrophobicContact CG2-CG2 3.63Å; V632-L634 HydrophobicContact CG1-CD2 3.85Å; V632-L634 HydrophobicContact CG1-CG 4.31Å; V632-V654 HydrophobicContact CB-CG1 4.13Å; V632-V654 HydrophobicContact CG2-CG1 3.59Å; V632-D655 PolarHBondContact N-O 2.87Å; V632-I656 HydrophobicContact CB-CG1 4.21Å
633	R	93.2	Very high	91.3	Very high	150 Å²	150	46.2 Å²	46.2	57%	0.566	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.6	169.9	-176.9	171.6	168.4	145.2	-2.8	108.7	L609 L610 L611 E635	L609-R633 PolarHBondContact O-N 3.11Å; L610-R633 WeakPolarHBondContact CA-O 3.34Å; L610-R633 HydrophobicContact CD1-CB 3.82Å; L610-R633 HydrophobicContact CD1-CG 3.67Å; L611-R633 PolarHBondContact N-O 2.89Å; R633-E635 HydrophobicContact CG-CG 4.43Å; R633-E635 IonicContact CZ-OE1 2.78Å; R633-E635 VanDerWaalsContact CZ-OE1 3.23Å; R633-E635 IonicContact NE-OE1 2.88Å; R633-E635 PolarHBondContact NE-OE1 3.42Å; R633-E635 IonicContact NH2-OE1 2.66Å; R633-E635 PolarHBondContact NH2-OE1 3.17Å
634	L	92.7	Very high	91.1	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.9	176.8	-56.6	177.1	0	0	0	108.6	L611 V632 V639 V659 L664	L611-L634 HydrophobicContact CB-CD2 4.05Å; L611-L634 HydrophobicContact CD1-CD2 3.83Å; L611-L634 HydrophobicContact CG-CD2 4.28Å; V632-L634 HydrophobicContact CG1-CD2 3.85Å; V632-L634 HydrophobicContact CG1-CG 4.31Å; L634-V639 HydrophobicContact CD2-CG1 4.1Å; L634-V659 HydrophobicContact CD1-CG1 4Å; L634-V659 HydrophobicContact CD1-CG2 4.33Å; L634-L664 HydrophobicContact CD1-CD2 4.05Å; L634-L664 HydrophobicContact CD1-CG 4.42Å
635	E	88.8	Confident	90.8	Very high	73 Å²	73	47.6 Å²	47.6	34%	0.341	25%	0.248	S	C	.	.			trans	-125.3	144.9	171.6	-70.8	-172.4	173.9	0	0	109	L610 L611 A612 R633	L610-E635 HydrophobicContact CD1-CB 4.28Å; L610-E635 HydrophobicContact CD1-CG 3.77Å; L611-E635 PolarHBondContact O-N 2.78Å; A612-E635 CarbonylContact C-O 3.57Å; A612-E635 WeakPolarHBondContact CA-O 3.38Å; A612-E635 HydrophobicContact CB-CB 4.3Å; A612-E635 VanDerWaalsContact O-O 3.13Å; R633-E635 HydrophobicContact CG-CG 4.43Å; R633-E635 IonicContact CZ-OE1 2.78Å; R633-E635 VanDerWaalsContact CZ-OE1 3.23Å; R633-E635 IonicContact NE-OE1 2.88Å; R633-E635 PolarHBondContact NE-OE1 3.42Å; R633-E635 IonicContact NH2-OE1 2.66Å; R633-E635 PolarHBondContact NH2-OE1 3.17Å
636	G	86.5	Confident	90.8	Very high	44 Å²	44	47.8 Å²	47.8	45%	0.454	25%	0.249	S	C	.	.	S	Bend	trans	82.8	-163.5	-177.5	0	0	0	0	0	114.5
637	R	88.8	Confident	90.6	Very high	154 Å²	154	48 Å²	48	58%	0.581	26%	0.258	S	S	*	.	S	Bend	trans	-121.4	155.6	-176.5	-60.2	-175.4	178.5	-175	-2	110.2	V639 H662	R637-V639 PolarHBondContact O-N 3.27Å; R637-H662 VanDerWaalsContact CA-O 3.24Å; R637-H662 WeakPolarHBondContact CA-O 3.18Å; R637-H662 HydrophobicContact CB-CB 4.42Å; R637-H662 WeakPolarHBondContact CB-O 3.09Å; R637-H662 HydrophobicContact CG-CB 3.94Å
638	H	89.8	Confident	90.5	Very high	40 Å²	40	50.5 Å²	50.5	19%	0.185	27%	0.27	C	S	.	.			trans	62.6	36.2	171.5	-51.7	-66.6	0	0	0	114.4	Q614 L640 T641 H662 S663 S665	Q614-H638 HydrophobicContact CG-CB 3.85Å; Q614-H638 WeakPolarHBondContact CG-O 3.06Å; H638-L640 VanDerWaalsContact C-N 3.34Å; H638-L640 PolarHBondContact O-N 2.91Å; H638-T641 HydrophobicContact CB-CG2 3.65Å; H638-T641 PolarHBondContact O-N 3.46Å; H638-T641 PolarHBondContact O-OG1 3.31Å; H638-H662 PolarHBondContact N-O 2.98Å; H638-H662 VanDerWaalsContact N-O 3.13Å; H638-S663 PolarHBondContact N-O 2.95Å; H638-S665 PolarHBondContact CE1-OG 3.23Å; H638-S665 PolarHBondContact ND1-O 3.03Å; H638-S665 PolarHBondContact ND1-OG 2.74Å
639	V	90.1	Very high	90.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-38.9	-170.5	174.9	0	0	0	0	112.9	L611 A613 V615 L634 R637 S663	L611-V639 HydrophobicContact CB-CG1 3.49Å; L611-V639 VanDerWaalsContact CB-CG1 3.49Å; L611-V639 HydrophobicContact CD1-CG1 3.64Å; L611-V639 HydrophobicContact CG-CG1 4.18Å; A613-V639 WeakPolarHBondContact O-CA 3.36Å; V615-V639 HydrophobicContact CG2-CG1 4.4Å; L634-V639 HydrophobicContact CD2-CG1 4.1Å; R637-V639 PolarHBondContact O-N 3.27Å; V639-S663 WeakPolarHBondContact CB-O 3.21Å; V639-S663 WeakPolarHBondContact CG2-O 3.1Å; V639-S663 PolarHBondContact N-O 3.24Å
640	L	88.3	Confident	90.8	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	18.9	-178.6	-63	-178.1	0	0	0	113.6	F616 H638 V649 F651 L664	F616-L640 HydrophobicContact CD2-CD2 3.93Å; F616-L640 HydrophobicContact CE2-CD2 3.67Å; H638-L640 VanDerWaalsContact C-N 3.34Å; H638-L640 PolarHBondContact O-N 2.91Å; L640-V649 HydrophobicContact CD1-CG1 4.22Å; L640-F651 HydrophobicContact CD1-CZ 4.43Å; L640-L664 HydrophobicContact CB-CD2 4.48Å; L640-L664 HydrophobicContact CD1-CD2 3.75Å; L640-L664 HydrophobicContact CG-CD2 3.8Å
641	T	89.1	Confident	91	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.092	25%	0.245	C	C	.	.			trans	-71.7	138.9	174.9	56.8	0	0	0	0	111.5	Q614 F616 A617 H638 Q666	Q614-T641 WeakPolarHBondContact CG-OG1 3.4Å; F616-T641 CarbonylContact C-O 3.51Å; F616-T641 VanDerWaalsContact C-O 3.25Å; A617-T641 WeakPolarHBondContact CA-O 3.23Å; A617-T641 PolarHBondContact N-O 3.31Å; A617-T641 VanDerWaalsContact N-O 3.12Å; H638-T641 HydrophobicContact CB-CG2 3.65Å; H638-T641 PolarHBondContact O-N 3.46Å; H638-T641 PolarHBondContact O-OG1 3.31Å; T641-Q666 HydrophobicContact CG2-CB 4.22Å
642	T	89.2	Confident	91.1	Very high	27 Å²	27	48 Å²	48	17%	0.166	25%	0.246	C	C	.	.			trans	-137.1	160.5	-175.4	51.4	0	0	0	0	110.5	F616 L622 S644 L646	F616-T642 HydrophobicContact CB-CG2 3.74Å; L622-T642 HydrophobicContact CD2-CG2 3.96Å; T642-S644 VanDerWaalsContact C-N 3.3Å; T642-S644 WeakPolarHBondContact CB-O 3.03Å; T642-S644 PolarHBondContact O-N 3.12Å; T642-S644 PolarHBondContact OG1-O 3.31Å; T642-L646 HydrophobicContact CG2-CD1 4Å; T642-L646 HydrophobicContact CG2-CD2 4.01Å; T642-L646 HydrophobicContact CG2-CG 4Å
643	I	85.6	Confident	91.1	Very high	93 Å²	93	52 Å²	52	48%	0.477	27%	0.267	S	S	.	.	S	Bend	trans	-64.3	-38.8	177.1	-56.7	176.1	0	0	0	110.9	A617 N620	A617-I643 WeakPolarHBondContact O-CG1 3.42Å; N620-I643 WeakPolarHBondContact OD1-CD1 3.29Å
644	S	86.3	Confident	91.2	Very high	55 Å²	55	45 Å²	45	39%	0.385	24%	0.241	S	C	.	.	S	Bend	trans	-123.6	150.5	-179.6	-57	0	0	0	0	110.2	T642 L646	T642-S644 VanDerWaalsContact C-N 3.3Å; T642-S644 WeakPolarHBondContact CB-O 3.03Å; T642-S644 PolarHBondContact O-N 3.12Å; T642-S644 PolarHBondContact OG1-O 3.31Å; S644-L646 PolarHBondContact O-N 3.12Å
645	P	87.9	Confident	91.3	Very high	77 Å²	77	48 Å²	48	50%	0.5	26%	0.258	S	S	.	.			trans	-53.6	132.4	174.2	-19.3	28.8	0	0	0	110.7	N668	P645-N668 HydrophobicContact CB-CB 4.32Å; P645-N668 WeakPolarHBondContact CG-ND2 3.17Å
646	L	93.5	Very high	91.6	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.6	173	-66.6	170.7	0	0	0	109.2	L622 Q623 V625 T642 S644 V649 N668 A669 A670	L622-L646 HydrophobicContact CB-CD2 4.31Å; L622-L646 HydrophobicContact CD2-CD2 4.02Å; L622-L646 HydrophobicContact CG-CD2 3.73Å; Q623-L646 CarbonylContact O-C 3.56Å; V625-L646 HydrophobicContact CG2-CD1 4.4Å; V625-L646 HydrophobicContact CG2-CD2 4.49Å; T642-L646 HydrophobicContact CG2-CD1 4Å; T642-L646 HydrophobicContact CG2-CD2 4.01Å; T642-L646 HydrophobicContact CG2-CG 4Å; S644-L646 PolarHBondContact O-N 3.12Å; L646-V649 HydrophobicContact CB-CG2 4.33Å; L646-V649 HydrophobicContact CD1-CG2 3.44Å; L646-V649 VanDerWaalsContact CD1-CG2 3.44Å; L646-V649 HydrophobicContact CG-CG2 4.49Å; L646-N668 PolarHBondContact N-O 2.81Å; L646-A669 HydrophobicContact CB-CB 4Å; L646-A669 CarbonylContact O-C 3.52Å; L646-A669 WeakPolarHBondContact O-CA 3.47Å; L646-A670 PolarHBondContact O-N 2.8Å
647	V	92	Very high	91.7	Very high	77 Å²	77	49.7 Å²	49.7	47%	0.467	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-44.2	165.5	177.6	0	0	0	0	108.9	Q623 A670 E671	Q623-V647 HydrophobicContact CB-CB 4.46Å; Q623-V647 HydrophobicContact CB-CG2 4.03Å; Q623-V647 HydrophobicContact CG-CG2 4.33Å; Q623-V647 WeakPolarHBondContact O-CA 3.29Å; Q623-V647 PolarHBondContact O-N 2.97Å; V647-A670 WeakPolarHBondContact O-CB 3.21Å; V647-E671 PolarHBondContact O-N 3.05Å
648	Q	93.3	Very high	91.9	Very high	54 Å²	54	45.7 Å²	45.7	25%	0.252	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	147.1	-177	65.9	-172.6	37.3	0	0	114.1	Q623 S624 V625 E671	Q623-Q648 PolarHBondContact O-N 3.45Å; S624-Q648 WeakPolarHBondContact CA-O 3.25Å; S624-Q648 VanDerWaalsContact CB-CG 3.42Å; V625-Q648 PolarHBondContact N-O 2.71Å; V625-Q648 VanDerWaalsContact N-O 3.15Å; Q648-E671 CarbonylContact C-O 3.6Å; Q648-E671 WeakPolarHBondContact CA-O 3.39Å; Q648-E671 HydrophobicContact CB-CB 4.48Å
649	V	95.4	Very high	92.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.2	165.4	-173.8	0	0	0	0	108.6	V625 L640 L646 F651 A669 E671 V672 T673	V625-V649 HydrophobicContact CB-CG1 4.43Å; V625-V649 CarbonylContact O-C 3.55Å; V625-V649 WeakPolarHBondContact O-CA 3.16Å; L640-V649 HydrophobicContact CD1-CG1 4.22Å; L646-V649 HydrophobicContact CB-CG2 4.33Å; L646-V649 HydrophobicContact CD1-CG2 3.44Å; L646-V649 VanDerWaalsContact CD1-CG2 3.44Å; L646-V649 HydrophobicContact CG-CG2 4.49Å; V649-F651 HydrophobicContact CG1-CD2 4.11Å; V649-F651 HydrophobicContact CG1-CE2 3.42Å; V649-F651 VanDerWaalsContact CG1-CE2 3.42Å; V649-F651 HydrophobicContact CG1-CZ 4Å; V649-A669 HydrophobicContact CG2-CB 4.31Å; V649-E671 PolarHBondContact N-O 3.15Å; V649-V672 HydrophobicContact CB-CG1 4.36Å; V649-V672 HydrophobicContact CB-CG2 4.13Å; V649-V672 HydrophobicContact CG2-CG2 4.39Å; V649-V672 CarbonylContact O-C 3.56Å; V649-V672 VanDerWaalsContact O-CA 3.32Å; V649-V672 WeakPolarHBondContact O-CA 3.33Å; V649-T673 PolarHBondContact O-N 2.96Å
650	V	96.6	Very high	92.3	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.6	-175.5	-175.5	0	0	0	0	110.1	V625 W626 I627 K652 T673	V625-V650 PolarHBondContact O-N 2.81Å; W626-V650 CarbonylContact C-O 3.59Å; W626-V650 WeakPolarHBondContact CA-O 3.49Å; W626-V650 HydrophobicContact CD2-CB 3.89Å; W626-V650 HydrophobicContact CD2-CG1 4.45Å; W626-V650 HydrophobicContact CD2-CG2 4Å; W626-V650 HydrophobicContact CE3-CB 3.68Å; W626-V650 HydrophobicContact CE3-CG1 3.73Å; W626-V650 HydrophobicContact CE3-CG2 3.99Å; W626-V650 HydrophobicContact CG-CB 4.36Å; W626-V650 HydrophobicContact CH2-CG2 4.24Å; W626-V650 HydrophobicContact CZ2-CG2 4.3Å; W626-V650 HydrophobicContact CZ3-CB 4.12Å; W626-V650 HydrophobicContact CZ3-CG1 3.87Å; W626-V650 HydrophobicContact CZ3-CG2 4.09Å; I627-V650 PolarHBondContact N-O 2.89Å; V650-K652 HydrophobicContact CG1-CB 4.48Å; V650-T673 CarbonylContact C-O 3.57Å; V650-T673 WeakPolarHBondContact CA-O 3.36Å
651	F	96	Very high	92.5	Very high	12 Å²	12	48.5 Å²	48.5	5%	0.053	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.5	169.2	-62.7	-93.8	0	0	0	108.4	I627 L640 V649 V654 I656 T673 I674 E675	I627-F651 HydrophobicContact CB-CD1 4.05Å; I627-F651 HydrophobicContact CB-CE1 4.36Å; I627-F651 HydrophobicContact CD1-CD1 4.11Å; I627-F651 HydrophobicContact CD1-CE1 3.52Å; I627-F651 HydrophobicContact CD1-CZ 4.21Å; I627-F651 HydrophobicContact CG1-CE1 4.41Å; I627-F651 WeakPolarHBondContact O-CA 3.46Å; L640-F651 HydrophobicContact CD1-CZ 4.43Å; V649-F651 HydrophobicContact CG1-CD2 4.11Å; V649-F651 HydrophobicContact CG1-CE2 3.42Å; V649-F651 VanDerWaalsContact CG1-CE2 3.42Å; V649-F651 HydrophobicContact CG1-CZ 4Å; F651-V654 HydrophobicContact CB-CB 4.42Å; F651-V654 HydrophobicContact CB-CG2 4.07Å; F651-V654 HydrophobicContact CD1-CG1 4.38Å; F651-V654 HydrophobicContact CD1-CG2 4.37Å; F651-I656 HydrophobicContact CD1-CD1 4.08Å; F651-I656 HydrophobicContact CE1-CD1 4.21Å; F651-T673 PolarHBondContact N-O 3.31Å; F651-I674 HydrophobicContact CB-CB 4.44Å; F651-I674 HydrophobicContact CB-CG1 4.16Å; F651-I674 HydrophobicContact CB-CG2 4.19Å; F651-I674 HydrophobicContact CD2-CG1 3.99Å; F651-I674 HydrophobicContact CG-CG1 4.43Å; F651-I674 CarbonylContact O-C 3.5Å; F651-I674 VanDerWaalsContact O-CA 3.31Å; F651-I674 WeakPolarHBondContact O-CA 3.31Å; F651-E675 PolarHBondContact O-N 2.77Å
652	K	94.8	Very high	92.7	Very high	91 Å²	91	50 Å²	50	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.5	-178.4	-171.6	175.1	-178.2	174.8	0	111	I627 E628 D629 V650 V654 E675	I627-K652 PolarHBondContact O-N 3.14Å; E628-K652 CarbonylContact C-O 3.59Å; E628-K652 VanDerWaalsContact CA-O 3.27Å; E628-K652 WeakPolarHBondContact CA-O 3.24Å; E628-K652 HydrophobicContact CG-CB 4.32Å; D629-K652 PolarHBondContact N-O 3.25Å; V650-K652 HydrophobicContact CG1-CB 4.48Å; K652-V654 VanDerWaalsContact C-N 3.29Å; K652-V654 PolarHBondContact O-N 3.36Å; K652-E675 WeakPolarHBondContact CA-O 3.37Å
653	N	94.3	Very high	92.9	Very high	88 Å²	88	48.7 Å²	48.7	47%	0.471	26%	0.26	S	S	.	.	S	Bend	trans	54	46.9	-177.4	-168.1	34.9	0	0	0	112.1	D629 E675 N676 S677	D629-N653 WeakPolarHBondContact CA-O 3.44Å; D629-N653 PolarHBondContact N-O 3.24Å; D629-N653 PolarHBondContact OD1-ND2 2.94Å; N653-E675 PolarHBondContact N-O 3.41Å; N653-N676 WeakPolarHBondContact CA-O 3.23Å; N653-S677 PolarHBondContact N-OG 3.12Å
654	V	95.9	Very high	93.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	24%	0.243	C	C	.	.			trans	-106.6	144.4	-176.1	178.4	0	0	0	0	111	I627 S630 V632 F651 K652 I656 S677 K678	I627-V654 HydrophobicContact CB-CG2 4.46Å; I627-V654 HydrophobicContact CG2-CG2 3.97Å; I627-V654 WeakPolarHBondContact O-CG2 3.45Å; S630-V654 VanDerWaalsContact O-CA 3.26Å; S630-V654 WeakPolarHBondContact O-CA 3.34Å; S630-V654 WeakPolarHBondContact O-CG1 3.33Å; V632-V654 HydrophobicContact CB-CG1 4.13Å; V632-V654 HydrophobicContact CG2-CG1 3.59Å; F651-V654 HydrophobicContact CB-CB 4.42Å; F651-V654 HydrophobicContact CB-CG2 4.07Å; F651-V654 HydrophobicContact CD1-CG1 4.38Å; F651-V654 HydrophobicContact CD1-CG2 4.37Å; K652-V654 VanDerWaalsContact C-N 3.29Å; K652-V654 PolarHBondContact O-N 3.36Å; V654-I656 HydrophobicContact CG1-CD1 4.12Å; V654-I656 HydrophobicContact CG1-CG1 3.56Å; V654-S677 PolarHBondContact N-OG 2.75Å; V654-S677 CarbonylContact O-C 3.56Å; V654-S677 VanDerWaalsContact O-CA 3.27Å; V654-S677 WeakPolarHBondContact O-CA 3.42Å; V654-S677 VanDerWaalsContact O-CB 3.23Å; V654-S677 WeakPolarHBondContact O-CB 3.27Å; V654-K678 PolarHBondContact O-N 3.07Å
655	D	94.3	Very high	93.3	Very high	76 Å²	76	43 Å²	43	41%	0.406	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.2	167.6	-164.5	-22.7	0	0	0	110.4	S630 A631 V632	S630-D655 PolarHBondContact O-N 3.36Å; A631-D655 CarbonylContact C-O 3.58Å; A631-D655 WeakPolarHBondContact CA-O 3.37Å; V632-D655 PolarHBondContact N-O 2.87Å
656	I	95.1	Very high	93.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.3	176.3	-46.3	-170.3	0	0	0	108.6	V632 F651 V654 Q658 V659 K678 L679 G680	V632-I656 HydrophobicContact CB-CG1 4.21Å; F651-I656 HydrophobicContact CD1-CD1 4.08Å; F651-I656 HydrophobicContact CE1-CD1 4.21Å; V654-I656 HydrophobicContact CG1-CD1 4.12Å; V654-I656 HydrophobicContact CG1-CG1 3.56Å; I656-Q658 PolarHBondContact O-N 3.13Å; I656-V659 HydrophobicContact CG2-CG2 3.87Å; I656-K678 PolarHBondContact N-O 3.25Å; I656-L679 HydrophobicContact CB-CD2 3.95Å; I656-L679 HydrophobicContact CD1-CD2 3.78Å; I656-L679 HydrophobicContact CG1-CD2 3.89Å; I656-L679 CarbonylContact O-C 3.6Å; I656-G680 PolarHBondContact O-N 3.03Å
657	H	89.7	Confident	93.3	Very high	146 Å²	146	45.4 Å²	45.4	68%	0.676	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	-44.5	-178.6	-179	-85.8	0	0	0	112.9	G680 R681	H657-G680 CarbonylContact O-C 3.52Å; H657-G680 WeakPolarHBondContact O-CA 3.24Å; H657-R681 PolarHBondContact O-N 2.97Å; H657-R681 VanDerWaalsContact O-N 3.17Å
658	Q	92.8	Very high	93.3	Very high	71 Å²	71	44.7 Å²	44.7	33%	0.332	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	145	178.6	-177.7	174.9	10.9	0	0	109.4	I656 P660 R681 E683	I656-Q658 PolarHBondContact O-N 3.13Å; Q658-P660 WeakPolarHBondContact O-CD 3.3Å; Q658-R681 CarbonylContact C-O 3.6Å; Q658-R681 WeakPolarHBondContact CA-O 3.4Å; Q658-R681 HydrophobicContact CB-CB 4.5Å; Q658-R681 HydrophobicContact CG-CB 4.1Å; Q658-E683 PolarHBondContact NE2-OE1 2.77Å
659	V	94.3	Very high	93.2	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	97.3	167.4	-173	0	0	0	0	107.3	L634 I656 S663 L664 R681 L682 E683 M686	L634-V659 HydrophobicContact CD1-CG1 4Å; L634-V659 HydrophobicContact CD1-CG2 4.33Å; I656-V659 HydrophobicContact CG2-CG2 3.87Å; V659-S663 VanDerWaalsContact CG1-OG 3.29Å; V659-S663 WeakPolarHBondContact CG1-OG 3.24Å; V659-L664 HydrophobicContact CG1-CD1 3.85Å; V659-L664 HydrophobicContact CG1-CG 4.02Å; V659-R681 PolarHBondContact N-O 2.65Å; V659-L682 HydrophobicContact CB-CD2 3.88Å; V659-L682 HydrophobicContact CG2-CD2 3.48Å; V659-L682 VanDerWaalsContact CG2-CD2 3.48Å; V659-E683 WeakPolarHBondContact O-CG 3.49Å; V659-E683 PolarHBondContact O-N 2.87Å; V659-M686 HydrophobicContact CB-CE 4.32Å; V659-M686 HydrophobicContact CG1-CB 3.96Å; V659-M686 HydrophobicContact CG1-CE 3.76Å; V659-M686 HydrophobicContact CG1-CG 4.13Å; V659-M686 HydrophobicContact CG1-SD 3.86Å
660	P	93.9	Very high	93.1	Very high	35 Å²	35	43.6 Å²	43.6	23%	0.227	23%	0.226	C	C	.	.			trans	-65.2	162.8	-174.3	-21.4	32.8	0	0	0	113.5	Q658 H662 S663 M686	Q658-P660 WeakPolarHBondContact O-CD 3.3Å; P660-H662 PolarHBondContact O-N 2.77Å; P660-S663 VanDerWaalsContact O-CB 3.29Å; P660-S663 WeakPolarHBondContact O-CB 3.38Å; P660-S663 PolarHBondContact O-N 2.63Å; P660-S663 VanDerWaalsContact O-N 3.1Å; P660-S663 PolarHBondContact O-OG 2.97Å; P660-M686 WeakPolarHBondContact O-CB 3.26Å
661	V	93.4	Very high	93	Very high	67 Å²	67	46.2 Å²	46.2	41%	0.406	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	132.8	172.9	-170.6	0	0	0	0	110.2	S663 E683	V661-S663 PolarHBondContact O-N 2.81Å; V661-E683 HydrophobicContact CG2-CB 3.77Å; V661-E683 HydrophobicContact CG2-CG 4.14Å
662	H	93.1	Very high	92.9	Very high	46 Å²	46	46.2 Å²	46.2	21%	0.213	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	11.1	-177.5	-48.1	-57	0	0	0	116.2	R637 H638 P660 L664 S665 S685 M686 E688	R637-H662 VanDerWaalsContact CA-O 3.24Å; R637-H662 WeakPolarHBondContact CA-O 3.18Å; R637-H662 HydrophobicContact CB-CB 4.42Å; R637-H662 WeakPolarHBondContact CB-O 3.09Å; R637-H662 HydrophobicContact CG-CB 3.94Å; H638-H662 PolarHBondContact N-O 2.98Å; H638-H662 VanDerWaalsContact N-O 3.13Å; P660-H662 PolarHBondContact O-N 2.77Å; H662-L664 PolarHBondContact O-N 3.09Å; H662-S665 PolarHBondContact O-N 3.39Å; H662-S665 PolarHBondContact O-OG 3Å; H662-S685 PolarHBondContact N-O 3.07Å; H662-S685 VanDerWaalsContact N-O 3.15Å; H662-S685 PolarHBondContact ND1-O 2.67Å; H662-M686 CarbonylContact C-O 3.54Å; H662-M686 WeakPolarHBondContact CA-O 3.11Å; H662-E688 IonicContact CE1-OE2 2.62Å; H662-E688 PolarHBondContact CE1-OE2 3.32Å; H662-E688 IonicContact ND1-OE2 3.08Å
663	S	91.8	Very high	93	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.8	177.3	57.7	0	0	0	0	112.2	H638 V639 V659 P660 V661 M686	H638-S663 PolarHBondContact N-O 2.95Å; V639-S663 WeakPolarHBondContact CB-O 3.21Å; V639-S663 WeakPolarHBondContact CG2-O 3.1Å; V639-S663 PolarHBondContact N-O 3.24Å; V659-S663 VanDerWaalsContact CG1-OG 3.29Å; V659-S663 WeakPolarHBondContact CG1-OG 3.24Å; P660-S663 VanDerWaalsContact O-CB 3.29Å; P660-S663 WeakPolarHBondContact O-CB 3.38Å; P660-S663 PolarHBondContact O-N 2.63Å; P660-S663 VanDerWaalsContact O-N 3.1Å; P660-S663 PolarHBondContact O-OG 2.97Å; V661-S663 PolarHBondContact O-N 2.81Å; S663-M686 PolarHBondContact N-O 2.81Å
664	L	91.7	Very high	93.1	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.131	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	16.8	179.8	-57.3	-174.9	0	0	0	112.7	L634 L640 V659 H662 S667 M686 A687 S690	L634-L664 HydrophobicContact CD1-CD2 4.05Å; L634-L664 HydrophobicContact CD1-CG 4.42Å; L640-L664 HydrophobicContact CB-CD2 4.48Å; L640-L664 HydrophobicContact CD1-CD2 3.75Å; L640-L664 HydrophobicContact CG-CD2 3.8Å; V659-L664 HydrophobicContact CG1-CD1 3.85Å; V659-L664 HydrophobicContact CG1-CG 4.02Å; H662-L664 PolarHBondContact O-N 3.09Å; L664-S667 WeakPolarHBondContact O-CB 3.44Å; L664-S667 PolarHBondContact O-OG 2.74Å; L664-M686 CarbonylContact C-O 3.55Å; L664-M686 WeakPolarHBondContact CA-O 3.23Å; L664-M686 HydrophobicContact CB-SD 4.31Å; L664-M686 HydrophobicContact CD1-CE 4.14Å; L664-M686 HydrophobicContact CD1-SD 3.94Å; L664-M686 HydrophobicContact CG-SD 4.43Å; L664-M686 PolarHBondContact N-O 2.81Å; L664-A687 HydrophobicContact CB-CB 4.02Å; L664-S690 PolarHBondContact O-OG 2.79Å
665	S	90	Very high	93.1	Very high	5 Å²	5	42 Å²	42	4%	0.035	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	147.3	-179.5	53.6	0	0	0	0	112.2	H638 H662 S667 M686 E688	H638-S665 PolarHBondContact CE1-OG 3.23Å; H638-S665 PolarHBondContact ND1-O 3.03Å; H638-S665 PolarHBondContact ND1-OG 2.74Å; H662-S665 PolarHBondContact O-N 3.39Å; H662-S665 PolarHBondContact O-OG 3Å; S665-S667 PolarHBondContact O-N 3.31Å; S665-M686 PolarHBondContact N-O 3.26Å; S665-E688 WeakPolarHBondContact CA-O 3.42Å; S665-E688 WeakPolarHBondContact CB-O 3.49Å
666	Q	89.4	Confident	93.1	Very high	123 Å²	123	42.7 Å²	42.7	58%	0.575	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	18.6	-177.9	-53.1	179	-19.2	0	0	114.8	T641 E688 S690	T641-Q666 HydrophobicContact CG2-CB 4.22Å; Q666-E688 PolarHBondContact N-O 2.75Å; Q666-S690 PolarHBondContact N-OG 2.8Å; Q666-S690 VanDerWaalsContact N-OG 3.13Å
667	S	91.1	Very high	93.2	Very high	8 Å²	8	42.5 Å²	42.5	6%	0.056	22%	0.221	C	C	.	.			trans	-74.2	136.2	175	-53.1	0	0	0	0	109.7	L664 S665 S690 T691	L664-S667 WeakPolarHBondContact O-CB 3.44Å; L664-S667 PolarHBondContact O-OG 2.74Å; S665-S667 PolarHBondContact O-N 3.31Å; S667-S690 PolarHBondContact N-OG 2.82Å; S667-S690 CarbonylContact O-C 3.52Å; S667-S690 WeakPolarHBondContact O-CA 3.2Å; S667-S690 WeakPolarHBondContact O-CB 3.48Å; S667-T691 PolarHBondContact O-N 2.76Å
668	N	91.6	Very high	93.4	Very high	61 Å²	61	41.1 Å²	41.1	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.2	-179.3	-168.4	-6.9	0	0	0	110.2	P645 L646 T691	P645-N668 HydrophobicContact CB-CB 4.32Å; P645-N668 WeakPolarHBondContact CG-ND2 3.17Å; L646-N668 PolarHBondContact N-O 2.81Å; N668-T691 CarbonylContact C-O 3.51Å; N668-T691 WeakPolarHBondContact CA-O 3.42Å; N668-T691 WeakPolarHBondContact CB-OG1 3.5Å; N668-T691 PolarHBondContact ND2-OG1 2.75Å; N668-T691 PolarHBondContact OD1-O 2.94Å; N668-T691 PolarHBondContact OD1-OG1 2.77Å
669	A	93	Very high	93.5	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	143.6	-179.4	0	0	0	0	0	111.9	L646 V649 V672 T691 I692 E693	L646-A669 HydrophobicContact CB-CB 4Å; L646-A669 CarbonylContact O-C 3.52Å; L646-A669 WeakPolarHBondContact O-CA 3.47Å; V649-A669 HydrophobicContact CG2-CB 4.31Å; A669-V672 HydrophobicContact CB-CG2 3.8Å; A669-T691 PolarHBondContact N-O 2.7Å; A669-I692 VanDerWaalsContact O-CA 3.22Å; A669-I692 WeakPolarHBondContact O-CA 3.39Å; A669-E693 PolarHBondContact O-N 3.38Å
670	A	93	Very high	93.5	Very high	29 Å²	29	39 Å²	39	24%	0.24	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-43	170.8	0	0	0	0	0	110.8	L646 V647 E693 N694	L646-A670 PolarHBondContact O-N 2.8Å; V647-A670 WeakPolarHBondContact O-CB 3.21Å; A670-E693 CarbonylContact O-C 3.55Å; A670-E693 VanDerWaalsContact O-CB 3.29Å; A670-E693 WeakPolarHBondContact O-CB 3.18Å; A670-E693 PolarHBondContact O-N 2.62Å; A670-N694 PolarHBondContact O-N 3.19Å
671	E	93.7	Very high	93.5	Very high	68 Å²	68	41.7 Å²	41.7	32%	0.318	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137	176.3	-171.1	170.2	117.9	0	0	112.4	V647 Q648 V649 T673 N694 I696	V647-E671 PolarHBondContact O-N 3.05Å; Q648-E671 CarbonylContact C-O 3.6Å; Q648-E671 WeakPolarHBondContact CA-O 3.39Å; Q648-E671 HydrophobicContact CB-CB 4.48Å; V649-E671 PolarHBondContact N-O 3.15Å; E671-T673 WeakPolarHBondContact CG-OG1 3.41Å; E671-T673 PolarHBondContact OE1-OG1 2.83Å; E671-N694 CarbonylContact C-O 3.59Å; E671-N694 WeakPolarHBondContact CA-O 3.15Å; E671-N694 HydrophobicContact CB-CB 4.46Å; E671-N694 HydrophobicContact CG-CB 4.2Å; E671-I696 HydrophobicContact CG-CD1 4.44Å
672	V	95.1	Very high	93.5	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.4	166.2	179.7	0	0	0	0	108	V649 A669 I692 N694 L695 I696	V649-V672 HydrophobicContact CB-CG1 4.36Å; V649-V672 HydrophobicContact CB-CG2 4.13Å; V649-V672 HydrophobicContact CG2-CG2 4.39Å; V649-V672 CarbonylContact O-C 3.56Å; V649-V672 VanDerWaalsContact O-CA 3.32Å; V649-V672 WeakPolarHBondContact O-CA 3.33Å; A669-V672 HydrophobicContact CB-CG2 3.8Å; V672-I692 HydrophobicContact CB-CG2 4.13Å; V672-I692 HydrophobicContact CG2-CD1 3.88Å; V672-I692 HydrophobicContact CG2-CG1 4.12Å; V672-I692 HydrophobicContact CG2-CG2 3.79Å; V672-N694 PolarHBondContact N-O 3.14Å; V672-L695 HydrophobicContact CB-CD1 3.88Å; V672-L695 HydrophobicContact CG1-CD1 3.91Å; V672-I696 PolarHBondContact O-N 3.22Å
673	T	96.2	Very high	93.6	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.3	-174.5	-65.9	0	0	0	0	109.9	V649 V650 F651 E671 E675 I696	V649-T673 PolarHBondContact O-N 2.96Å; V650-T673 CarbonylContact C-O 3.57Å; V650-T673 WeakPolarHBondContact CA-O 3.36Å; F651-T673 PolarHBondContact N-O 3.31Å; E671-T673 WeakPolarHBondContact CG-OG1 3.41Å; E671-T673 PolarHBondContact OE1-OG1 2.83Å; T673-E675 HydrophobicContact CG2-CG 3.8Å; T673-I696 CarbonylContact C-O 3.56Å; T673-I696 WeakPolarHBondContact CA-O 3.35Å; T673-I696 HydrophobicContact CG2-CB 4.5Å
674	I	96.9	Very high	93.6	Very high	18 Å²	18	39.7 Å²	39.7	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.3	176.6	-52.4	179.6	0	0	0	108.3	F651 L679 I696 I697 A698	F651-I674 HydrophobicContact CB-CB 4.44Å; F651-I674 HydrophobicContact CB-CG1 4.16Å; F651-I674 HydrophobicContact CB-CG2 4.19Å; F651-I674 HydrophobicContact CD2-CG1 3.99Å; F651-I674 HydrophobicContact CG-CG1 4.43Å; F651-I674 CarbonylContact O-C 3.5Å; F651-I674 VanDerWaalsContact O-CA 3.31Å; F651-I674 WeakPolarHBondContact O-CA 3.31Å; I674-L679 HydrophobicContact CD1-CD1 4.15Å; I674-L679 HydrophobicContact CG2-CD1 4.19Å; I674-L679 HydrophobicContact CG2-CD2 4.29Å; I674-I696 PolarHBondContact N-O 3.3Å; I674-I697 HydrophobicContact CB-CG1 4.3Å; I674-I697 HydrophobicContact CB-CG2 4.24Å; I674-I697 HydrophobicContact CD1-CD1 4.28Å; I674-I697 HydrophobicContact CD1-CG1 4.25Å; I674-I697 HydrophobicContact CG1-CG1 4.5Å; I674-I697 HydrophobicContact CG2-CG2 4.46Å; I674-I697 CarbonylContact O-C 3.53Å; I674-I697 WeakPolarHBondContact O-CA 3.32Å; I674-A698 PolarHBondContact O-N 2.8Å
675	E	95.3	Very high	93.6	Very high	69 Å²	69	40.4 Å²	40.4	32%	0.322	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.4	-175.5	-71.5	-177.1	176	0	0	111.8	F651 K652 N653 T673 S677 A698	F651-E675 PolarHBondContact O-N 2.77Å; K652-E675 WeakPolarHBondContact CA-O 3.37Å; N653-E675 PolarHBondContact N-O 3.41Å; T673-E675 HydrophobicContact CG2-CG 3.8Å; E675-S677 PolarHBondContact O-N 3.06Å; E675-S677 PolarHBondContact O-OG 3.47Å; E675-A698 WeakPolarHBondContact CA-O 3.38Å; E675-A698 HydrophobicContact CG-CB 4.36Å
676	N	94.8	Very high	93.7	Very high	90 Å²	90	41 Å²	41	48%	0.481	22%	0.215	S	C	.	.	S	Bend	trans	50.1	32.2	175.2	-70.9	-17.9	0	0	0	114.1	N653 A698 D699 S700	N653-N676 WeakPolarHBondContact CA-O 3.23Å; N676-A698 PolarHBondContact N-O 3.15Å; N676-D699 WeakPolarHBondContact CA-O 3.43Å; N676-D699 VanDerWaalsContact OD1-CB 3.29Å; N676-D699 WeakPolarHBondContact OD1-CB 3.47Å; N676-S700 PolarHBondContact N-OG 2.95Å
677	S	96.6	Very high	93.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.189	C	C	.	.			trans	-111.4	159.4	-167.8	-67.2	0	0	0	0	112.6	N653 V654 E675 S700 R701	N653-S677 PolarHBondContact N-OG 3.12Å; V654-S677 PolarHBondContact N-OG 2.75Å; V654-S677 CarbonylContact O-C 3.56Å; V654-S677 VanDerWaalsContact O-CA 3.27Å; V654-S677 WeakPolarHBondContact O-CA 3.42Å; V654-S677 VanDerWaalsContact O-CB 3.23Å; V654-S677 WeakPolarHBondContact O-CB 3.27Å; E675-S677 PolarHBondContact O-N 3.06Å; E675-S677 PolarHBondContact O-OG 3.47Å; S677-S700 PolarHBondContact N-OG 3.36Å; S677-S700 CarbonylContact O-C 3.51Å; S677-S700 VanDerWaalsContact O-CA 3.26Å; S677-S700 WeakPolarHBondContact O-CA 3.35Å; S677-S700 VanDerWaalsContact O-CB 3.24Å; S677-S700 WeakPolarHBondContact O-CB 3.3Å; S677-R701 PolarHBondContact O-N 3.03Å
678	K	94.6	Very high	93.9	Very high	116 Å²	116	39.1 Å²	39.1	50%	0.504	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.2	169.6	-65.1	178.6	-173.9	172.2	0	108.7	V654 I656	V654-K678 PolarHBondContact O-N 3.07Å; I656-K678 PolarHBondContact N-O 3.25Å
679	L	95	Very high	93.9	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.9	176	-56.5	-179.9	0	0	0	107.6	I656 I674 L682 I697 R701 I702 G703	I656-L679 HydrophobicContact CB-CD2 3.95Å; I656-L679 HydrophobicContact CD1-CD2 3.78Å; I656-L679 HydrophobicContact CG1-CD2 3.89Å; I656-L679 CarbonylContact O-C 3.6Å; I674-L679 HydrophobicContact CD1-CD1 4.15Å; I674-L679 HydrophobicContact CG2-CD1 4.19Å; I674-L679 HydrophobicContact CG2-CD2 4.29Å; L679-L682 HydrophobicContact CB-CD2 4.34Å; L679-L682 HydrophobicContact CD1-CD1 4.35Å; L679-L682 HydrophobicContact CD1-CD2 4.38Å; L679-I697 HydrophobicContact CD1-CD1 4.38Å; L679-I697 HydrophobicContact CD1-CG2 4.26Å; L679-R701 PolarHBondContact N-O 2.88Å; L679-I702 HydrophobicContact CB-CG1 4.41Å; L679-I702 HydrophobicContact CD1-CG1 4.23Å; L679-I702 CarbonylContact O-C 3.59Å; L679-I702 VanDerWaalsContact O-CA 3.23Å; L679-I702 WeakPolarHBondContact O-CA 3.27Å; L679-G703 PolarHBondContact O-N 2.9Å
680	G	92.6	Very high	93.9	Very high	30 Å²	30	37.8 Å²	37.8	31%	0.309	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-74.9	-177.7	0	0	0	0	0	111.8	I656 H657 G703 F704	I656-G680 PolarHBondContact O-N 3.03Å; H657-G680 CarbonylContact O-C 3.52Å; H657-G680 WeakPolarHBondContact O-CA 3.24Å; G680-G703 CarbonylContact O-C 3.58Å; G680-G703 WeakPolarHBondContact O-CA 3.39Å; G680-G703 PolarHBondContact O-N 2.95Å; G680-G703 VanDerWaalsContact O-N 3.11Å; G680-F704 PolarHBondContact O-N 2.88Å
681	R	94.1	Very high	93.8	Very high	92 Å²	92	38.9 Å²	38.9	35%	0.347	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.6	-179.4	-178	165.9	176.4	110.1	7.1	112.3	H657 Q658 V659 E683 F704	H657-R681 PolarHBondContact O-N 2.97Å; H657-R681 VanDerWaalsContact O-N 3.17Å; Q658-R681 CarbonylContact C-O 3.6Å; Q658-R681 WeakPolarHBondContact CA-O 3.4Å; Q658-R681 HydrophobicContact CB-CB 4.5Å; Q658-R681 HydrophobicContact CG-CB 4.1Å; V659-R681 PolarHBondContact N-O 2.65Å; R681-E683 WeakPolarHBondContact CD-OE1 3.37Å; R681-E683 WeakPolarHBondContact CG-OE1 3.43Å; R681-E683 IonicContact CZ-OE1 2.8Å; R681-E683 IonicContact CZ-OE2 3.16Å; R681-E683 VanDerWaalsContact NE-CD 3.27Å; R681-E683 IonicContact NE-OE1 2.84Å; R681-E683 PolarHBondContact NE-OE1 3.39Å; R681-E683 IonicContact NE-OE2 2.89Å; R681-E683 PolarHBondContact NE-OE2 3.05Å; R681-E683 IonicContact NH2-OE1 2.99Å; R681-E683 IonicContact NH2-OE2 3.48Å; R681-E683 PolarHBondContact NH2-OE2 3.41Å; R681-F704 HydrophobicContact CB-CB 4.43Å; R681-F704 HydrophobicContact CG-CB 4.15Å; R681-F704 HydrophobicContact CG-CD1 3.69Å; R681-F704 HydrophobicContact CG-CE1 4.49Å; R681-F704 HydrophobicContact CG-CG 4.24Å
682	L	94.8	Very high	93.7	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105.7	172.2	-56.5	-177.4	0	0	0	109	V659 L679 M686 I702 F704 F710	V659-L682 HydrophobicContact CB-CD2 3.88Å; V659-L682 HydrophobicContact CG2-CD2 3.48Å; V659-L682 VanDerWaalsContact CG2-CD2 3.48Å; L679-L682 HydrophobicContact CB-CD2 4.34Å; L679-L682 HydrophobicContact CD1-CD1 4.35Å; L679-L682 HydrophobicContact CD1-CD2 4.38Å; L682-M686 HydrophobicContact CD2-CE 4.16Å; L682-I702 HydrophobicContact CD1-CD1 4.49Å; L682-I702 HydrophobicContact CD1-CG2 4.12Å; L682-I702 HydrophobicContact CG-CG2 4.35Å; L682-F704 PolarHBondContact N-O 3Å; L682-F710 HydrophobicContact CD1-CZ 4.29Å
683	E	94.2	Very high	93.5	Very high	25 Å²	25	41.2 Å²	41.2	12%	0.117	22%	0.222	C	C	.	.			trans	-73.8	151.5	-177.5	-64.7	-63.9	169.7	0	0	112.9	Q658 V659 V661 R681 M686 A709	Q658-E683 PolarHBondContact NE2-OE1 2.77Å; V659-E683 WeakPolarHBondContact O-CG 3.49Å; V659-E683 PolarHBondContact O-N 2.87Å; V661-E683 HydrophobicContact CG2-CB 3.77Å; V661-E683 HydrophobicContact CG2-CG 4.14Å; R681-E683 WeakPolarHBondContact CD-OE1 3.37Å; R681-E683 WeakPolarHBondContact CG-OE1 3.43Å; R681-E683 IonicContact CZ-OE1 2.8Å; R681-E683 IonicContact CZ-OE2 3.16Å; R681-E683 VanDerWaalsContact NE-CD 3.27Å; R681-E683 IonicContact NE-OE1 2.84Å; R681-E683 PolarHBondContact NE-OE1 3.39Å; R681-E683 IonicContact NE-OE2 2.89Å; R681-E683 PolarHBondContact NE-OE2 3.05Å; R681-E683 IonicContact NH2-OE1 2.99Å; R681-E683 IonicContact NH2-OE2 3.48Å; R681-E683 PolarHBondContact NH2-OE2 3.41Å; E683-M686 VanDerWaalsContact O-CB 3.26Å; E683-M686 WeakPolarHBondContact O-CB 3.17Å; E683-M686 VanDerWaalsContact O-CG 3.24Å; E683-M686 WeakPolarHBondContact O-CG 3.22Å; E683-M686 PolarHBondContact O-N 2.79Å; E683-A709 WeakPolarHBondContact O-CB 3.21Å
684	P	91.9	Very high	93.4	Very high	41 Å²	41	42.8 Å²	42.8	27%	0.266	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	144.2	163.4	-27.3	36.6	0	0	0	112	M686 S708	P684-M686 PolarHBondContact O-N 3Å; P684-S708 WeakPolarHBondContact CB-OG 3.36Å; P684-S708 WeakPolarHBondContact CG-OG 3.27Å
685	S	91	Very high	93.3	Very high	41 Å²	41	42.6 Å²	42.6	29%	0.287	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	18.3	178.7	-60.7	0	0	0	0	115.6	H662 A687 E688	H662-S685 PolarHBondContact N-O 3.07Å; H662-S685 VanDerWaalsContact N-O 3.15Å; H662-S685 PolarHBondContact ND1-O 2.67Å; S685-A687 PolarHBondContact O-N 3.33Å; S685-E688 WeakPolarHBondContact CB-OE2 3.41Å; S685-E688 PolarHBondContact O-N 3.17Å; S685-E688 PolarHBondContact OG-OE2 3.39Å
686	M	93.6	Very high	93.3	Very high	16 Å²	16	41 Å²	41	8%	0.079	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.1	179.6	65.3	82.5	130.9	0	0	113.3	V659 P660 H662 S663 L664 S665 L682 E683 P684 A709	V659-M686 HydrophobicContact CB-CE 4.32Å; V659-M686 HydrophobicContact CG1-CB 3.96Å; V659-M686 HydrophobicContact CG1-CE 3.76Å; V659-M686 HydrophobicContact CG1-CG 4.13Å; V659-M686 HydrophobicContact CG1-SD 3.86Å; P660-M686 WeakPolarHBondContact O-CB 3.26Å; H662-M686 CarbonylContact C-O 3.54Å; H662-M686 WeakPolarHBondContact CA-O 3.11Å; S663-M686 PolarHBondContact N-O 2.81Å; L664-M686 CarbonylContact C-O 3.55Å; L664-M686 WeakPolarHBondContact CA-O 3.23Å; L664-M686 HydrophobicContact CB-SD 4.31Å; L664-M686 HydrophobicContact CD1-CE 4.14Å; L664-M686 HydrophobicContact CD1-SD 3.94Å; L664-M686 HydrophobicContact CG-SD 4.43Å; L664-M686 PolarHBondContact N-O 2.81Å; S665-M686 PolarHBondContact N-O 3.26Å; L682-M686 HydrophobicContact CD2-CE 4.16Å; E683-M686 VanDerWaalsContact O-CB 3.26Å; E683-M686 WeakPolarHBondContact O-CB 3.17Å; E683-M686 VanDerWaalsContact O-CG 3.24Å; E683-M686 WeakPolarHBondContact O-CG 3.22Å; E683-M686 PolarHBondContact O-N 2.79Å; P684-M686 PolarHBondContact O-N 3Å; M686-A709 HydrophobicContact CG-CB 4.42Å
687	A	92.7	Very high	93.3	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	39.5	178.2	0	0	0	0	0	112.3	L664 S685 G689 S690 G712 I713	L664-A687 HydrophobicContact CB-CB 4.02Å; S685-A687 PolarHBondContact O-N 3.33Å; A687-G689 PolarHBondContact O-N 2.78Å; A687-S690 VanDerWaalsContact O-CB 3.22Å; A687-S690 WeakPolarHBondContact O-CB 3.39Å; A687-S690 PolarHBondContact O-N 2.86Å; A687-S690 PolarHBondContact O-OG 3.44Å; A687-S690 VanDerWaalsContact O-OG 3.11Å; A687-G712 CarbonylContact O-C 3.49Å; A687-I713 HydrophobicContact CB-CD1 3.85Å; A687-I713 HydrophobicContact CB-CG1 3.6Å
688	E	91.3	Very high	93.3	Very high	90 Å²	90	37.1 Å²	37.1	42%	0.421	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	133.5	179.5	-172.7	175.6	174.8	0	0	112.8	H662 S665 Q666 S685 S690	H662-E688 IonicContact CE1-OE2 2.62Å; H662-E688 PolarHBondContact CE1-OE2 3.32Å; H662-E688 IonicContact ND1-OE2 3.08Å; S665-E688 WeakPolarHBondContact CA-O 3.42Å; S665-E688 WeakPolarHBondContact CB-O 3.49Å; Q666-E688 PolarHBondContact N-O 2.75Å; S685-E688 WeakPolarHBondContact CB-OE2 3.41Å; S685-E688 PolarHBondContact O-N 3.17Å; S685-E688 PolarHBondContact OG-OE2 3.39Å; E688-S690 PolarHBondContact O-N 3.09Å
689	G	90.7	Very high	93.3	Very high	37 Å²	37	35.4 Å²	35.4	38%	0.381	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	6.2	-179.9	0	0	0	0	0	114.1	A687 G712	A687-G689 PolarHBondContact O-N 2.78Å; G689-G712 PolarHBondContact N-O 2.95Å
690	S	93	Very high	93.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.			trans	-75.2	149.5	176.2	-62.2	0	0	0	0	111.2	L664 Q666 S667 A687 E688 I713 R714	L664-S690 PolarHBondContact O-OG 2.79Å; Q666-S690 PolarHBondContact N-OG 2.8Å; Q666-S690 VanDerWaalsContact N-OG 3.13Å; S667-S690 PolarHBondContact N-OG 2.82Å; S667-S690 CarbonylContact O-C 3.52Å; S667-S690 WeakPolarHBondContact O-CA 3.2Å; S667-S690 WeakPolarHBondContact O-CB 3.48Å; A687-S690 VanDerWaalsContact O-CB 3.22Å; A687-S690 WeakPolarHBondContact O-CB 3.39Å; A687-S690 PolarHBondContact O-N 2.86Å; A687-S690 PolarHBondContact O-OG 3.44Å; A687-S690 VanDerWaalsContact O-OG 3.11Å; E688-S690 PolarHBondContact O-N 3.09Å; S690-I713 CarbonylContact O-C 3.49Å; S690-R714 PolarHBondContact O-N 3.03Å
691	T	91.2	Very high	93.4	Very high	51 Å²	51	40.9 Å²	40.9	31%	0.313	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.1	173.2	47.6	0	0	0	0	108.9	S667 N668 A669 R714	S667-T691 PolarHBondContact O-N 2.76Å; N668-T691 CarbonylContact C-O 3.51Å; N668-T691 WeakPolarHBondContact CA-O 3.42Å; N668-T691 WeakPolarHBondContact CB-OG1 3.5Å; N668-T691 PolarHBondContact ND2-OG1 2.75Å; N668-T691 PolarHBondContact OD1-O 2.94Å; N668-T691 PolarHBondContact OD1-OG1 2.77Å; A669-T691 PolarHBondContact N-O 2.7Å; T691-R714 CarbonylContact C-O 3.53Å; T691-R714 VanDerWaalsContact CA-O 3.24Å; T691-R714 WeakPolarHBondContact CA-O 3.16Å; T691-R714 HydrophobicContact CG2-CB 4.1Å
692	I	92.4	Very high	93.4	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.077	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	111.6	179	-57.6	169.5	0	0	0	109.1	A669 V672 N694 L695 I713 R714 G715	A669-I692 VanDerWaalsContact O-CA 3.22Å; A669-I692 WeakPolarHBondContact O-CA 3.39Å; V672-I692 HydrophobicContact CB-CG2 4.13Å; V672-I692 HydrophobicContact CG2-CD1 3.88Å; V672-I692 HydrophobicContact CG2-CG1 4.12Å; V672-I692 HydrophobicContact CG2-CG2 3.79Å; I692-N694 WeakPolarHBondContact CG2-O 3.25Å; I692-L695 HydrophobicContact CG2-CB 4.09Å; I692-I713 HydrophobicContact CB-CG2 3.66Å; I692-I713 HydrophobicContact CD1-CD1 4.4Å; I692-I713 HydrophobicContact CD1-CG2 3.94Å; I692-I713 HydrophobicContact CG1-CG2 3.97Å; I692-R714 PolarHBondContact N-O 2.9Å; I692-G715 CarbonylContact O-C 3.57Å; I692-G715 VanDerWaalsContact O-CA 3.29Å; I692-G715 WeakPolarHBondContact O-CA 3.48Å
693	E	91.3	Very high	93.2	Very high	116 Å²	116	38.4 Å²	38.4	54%	0.542	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-42.5	-176.8	-54.6	-178.4	170.9	0	0	112.2	A669 A670 A716 K717	A669-E693 PolarHBondContact O-N 3.38Å; A670-E693 CarbonylContact O-C 3.55Å; A670-E693 VanDerWaalsContact O-CB 3.29Å; A670-E693 WeakPolarHBondContact O-CB 3.18Å; A670-E693 PolarHBondContact O-N 2.62Å; E693-A716 CarbonylContact O-C 3.53Å; E693-A716 PolarHBondContact O-N 3.03Å; E693-K717 PolarHBondContact O-N 2.81Å
694	N	93.1	Very high	93	Very high	40 Å²	40	38.6 Å²	38.6	21%	0.214	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	112.2	176.7	-57.9	-57.9	0	0	0	110.2	A670 E671 V672 I692 K717	A670-N694 PolarHBondContact O-N 3.19Å; E671-N694 CarbonylContact C-O 3.59Å; E671-N694 WeakPolarHBondContact CA-O 3.15Å; E671-N694 HydrophobicContact CB-CB 4.46Å; E671-N694 HydrophobicContact CG-CB 4.2Å; V672-N694 PolarHBondContact N-O 3.14Å; I692-N694 WeakPolarHBondContact CG2-O 3.25Å; N694-K717 WeakPolarHBondContact CA-O 2.97Å; N694-K717 WeakPolarHBondContact OD1-CB 2.91Å; N694-K717 WeakPolarHBondContact OD1-CD 3.18Å; N694-K717 WeakPolarHBondContact OD1-CG 3.42Å
695	L	94.5	Very high	93.1	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116	169.2	176.4	57.2	0	0	0	109.2	V672 I692 I697 F710 I713 K717 L718 R719	V672-L695 HydrophobicContact CB-CD1 3.88Å; V672-L695 HydrophobicContact CG1-CD1 3.91Å; I692-L695 HydrophobicContact CG2-CB 4.09Å; L695-I697 HydrophobicContact CD1-CG1 4.38Å; L695-F710 HydrophobicContact CD2-CD1 3.85Å; L695-F710 HydrophobicContact CD2-CE1 4.07Å; L695-I713 HydrophobicContact CD2-CD1 3.78Å; L695-K717 PolarHBondContact N-O 2.89Å; L695-L718 HydrophobicContact CB-CD1 4.07Å; L695-L718 HydrophobicContact CD2-CD1 3.82Å; L695-L718 HydrophobicContact CG-CD1 3.87Å; L695-R719 PolarHBondContact O-N 2.79Å
696	I	95.4	Very high	93	Very high	35 Å²	35	34.9 Å²	34.9	18%	0.179	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.7	-177.7	-54.3	176.3	0	0	0	108.6	E671 V672 T673 I674 R719	E671-I696 HydrophobicContact CG-CD1 4.44Å; V672-I696 PolarHBondContact O-N 3.22Å; T673-I696 CarbonylContact C-O 3.56Å; T673-I696 WeakPolarHBondContact CA-O 3.35Å; T673-I696 HydrophobicContact CG2-CB 4.5Å; I674-I696 PolarHBondContact N-O 3.3Å; I696-R719 WeakPolarHBondContact CA-O 3.46Å; I696-R719 HydrophobicContact CG1-CB 4.36Å; I696-R719 HydrophobicContact CG2-CB 4.45Å
697	I	95.9	Very high	92.8	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.7	168.8	-49.5	-177.2	0	0	0	107.1	I674 L679 L695 I702 F710 R719 L720 T721 N723	I674-I697 HydrophobicContact CB-CG1 4.3Å; I674-I697 HydrophobicContact CB-CG2 4.24Å; I674-I697 HydrophobicContact CD1-CD1 4.28Å; I674-I697 HydrophobicContact CD1-CG1 4.25Å; I674-I697 HydrophobicContact CG1-CG1 4.5Å; I674-I697 HydrophobicContact CG2-CG2 4.46Å; I674-I697 CarbonylContact O-C 3.53Å; I674-I697 WeakPolarHBondContact O-CA 3.32Å; L679-I697 HydrophobicContact CD1-CD1 4.38Å; L679-I697 HydrophobicContact CD1-CG2 4.26Å; L695-I697 HydrophobicContact CD1-CG1 4.38Å; I697-I702 HydrophobicContact CG2-CD1 4.33Å; I697-F710 HydrophobicContact CD1-CE1 4.31Å; I697-R719 PolarHBondContact N-O 3Å; I697-L720 HydrophobicContact CB-CD2 3.67Å; I697-L720 HydrophobicContact CD1-CD2 3.77Å; I697-L720 HydrophobicContact CG1-CD2 3.85Å; I697-L720 WeakPolarHBondContact O-CA 3.35Å; I697-T721 PolarHBondContact O-N 3.46Å; I697-N723 PolarHBondContact O-ND2 3.01Å
698	A	95.7	Very high	92.6	Very high	7 Å²	7	34.6 Å²	34.6	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.4	-176.9	0	0	0	0	0	112.2	I674 E675 N676 S700 T721	I674-A698 PolarHBondContact O-N 2.8Å; E675-A698 WeakPolarHBondContact CA-O 3.38Å; E675-A698 HydrophobicContact CG-CB 4.36Å; N676-A698 PolarHBondContact N-O 3.15Å; A698-S700 PolarHBondContact O-N 3.26Å; A698-S700 PolarHBondContact O-OG 2.72Å; A698-T721 VanDerWaalsContact CA-O 3.24Å; A698-T721 WeakPolarHBondContact CA-O 3.34Å
699	D	95.1	Very high	92.6	Very high	80 Å²	80	30.3 Å²	30.3	43%	0.428	17%	0.168	S	C	.	.	S	Bend	trans	52.3	30.7	170	-55.9	-63.8	0	0	0	113.7	N676 T721 N722 N723	N676-D699 WeakPolarHBondContact CA-O 3.43Å; N676-D699 VanDerWaalsContact OD1-CB 3.29Å; N676-D699 WeakPolarHBondContact OD1-CB 3.47Å; D699-T721 PolarHBondContact N-O 3.04Å; D699-T721 VanDerWaalsContact N-O 3.13Å; D699-N722 WeakPolarHBondContact OD1-CB 3.38Å; D699-N722 PolarHBondContact OD1-ND2 2.05Å; D699-N723 PolarHBondContact N-OD1 2.87Å
700	S	95.5	Very high	92.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	15%	0.15	C	C	.	.			trans	-114.8	160.9	-171	-66.1	0	0	0	0	112.2	N676 S677 A698 N723 I724	N676-S700 PolarHBondContact N-OG 2.95Å; S677-S700 PolarHBondContact N-OG 3.36Å; S677-S700 CarbonylContact O-C 3.51Å; S677-S700 VanDerWaalsContact O-CA 3.26Å; S677-S700 WeakPolarHBondContact O-CA 3.35Å; S677-S700 VanDerWaalsContact O-CB 3.24Å; S677-S700 WeakPolarHBondContact O-CB 3.3Å; A698-S700 PolarHBondContact O-N 3.26Å; A698-S700 PolarHBondContact O-OG 2.72Å; S700-N723 WeakPolarHBondContact CB-OD1 3.42Å; S700-N723 PolarHBondContact N-OD1 2.93Å; S700-N723 CarbonylContact O-C 3.25Å; S700-N723 WeakPolarHBondContact O-CA 3.22Å; S700-N723 WeakPolarHBondContact O-CB 3.44Å; S700-N723 PolarHBondContact O-OD1 2.8Å; S700-I724 PolarHBondContact O-N 2.83Å
701	R	93.8	Very high	92.3	Very high	147 Å²	147	32.1 Å²	32.1	56%	0.555	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	119	173.7	-60.9	-172.2	-176.7	-170.6	0.7	109.7	S677 L679 I724	S677-R701 PolarHBondContact O-N 3.03Å; L679-R701 PolarHBondContact N-O 2.88Å; R701-I724 CarbonylContact C-O 3.53Å; R701-I724 WeakPolarHBondContact CA-O 3.45Å; R701-I724 HydrophobicContact CG-CB 4.31Å; R701-I724 HydrophobicContact CG-CD1 4.4Å
702	I	94.2	Very high	91.9	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118	176.7	-53	-179.1	0	0	0	107.9	L679 L682 I697 T705 I724 I725 G726	L679-I702 HydrophobicContact CB-CG1 4.41Å; L679-I702 HydrophobicContact CD1-CG1 4.23Å; L679-I702 CarbonylContact O-C 3.59Å; L679-I702 VanDerWaalsContact O-CA 3.23Å; L679-I702 WeakPolarHBondContact O-CA 3.27Å; L682-I702 HydrophobicContact CD1-CD1 4.49Å; L682-I702 HydrophobicContact CD1-CG2 4.12Å; L682-I702 HydrophobicContact CG-CG2 4.35Å; I697-I702 HydrophobicContact CG2-CD1 4.33Å; I702-T705 HydrophobicContact CG2-CG2 4Å; I702-I724 PolarHBondContact N-O 3.24Å; I702-I725 HydrophobicContact CB-CG1 4.38Å; I702-I725 HydrophobicContact CB-CG2 4.45Å; I702-I725 HydrophobicContact CD1-CG1 4.32Å; I702-I725 CarbonylContact O-C 3.57Å; I702-I725 WeakPolarHBondContact O-CA 3.31Å; I702-G726 PolarHBondContact O-N 2.87Å
703	G	90.1	Very high	91.8	Very high	40 Å²	40	30.2 Å²	30.2	41%	0.412	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-51.7	179.8	0	0	0	0	0	112.5	L679 G680 G726 H727	L679-G703 PolarHBondContact O-N 2.9Å; G680-G703 CarbonylContact O-C 3.58Å; G680-G703 WeakPolarHBondContact O-CA 3.39Å; G680-G703 PolarHBondContact O-N 2.95Å; G680-G703 VanDerWaalsContact O-N 3.11Å; G703-G726 CarbonylContact O-C 3.58Å; G703-G726 WeakPolarHBondContact O-CA 3.08Å; G703-H727 PolarHBondContact O-N 2.82Å
704	F	91.5	Very high	91.5	Very high	30 Å²	30	33 Å²	33	13%	0.132	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.2	177.2	174.9	-79.8	0	0	0	110.2	G680 R681 L682 H727 E729	G680-F704 PolarHBondContact O-N 2.88Å; R681-F704 HydrophobicContact CB-CB 4.43Å; R681-F704 HydrophobicContact CG-CB 4.15Å; R681-F704 HydrophobicContact CG-CD1 3.69Å; R681-F704 HydrophobicContact CG-CE1 4.49Å; R681-F704 HydrophobicContact CG-CG 4.24Å; L682-F704 PolarHBondContact N-O 3Å; F704-H727 WeakPolarHBondContact CA-O 3.1Å; F704-H727 HydrophobicContact CD2-CB 4.06Å; F704-H727 AromaticContact CD2-CD2 3.67Å; F704-H727 AromaticContact CE2-CD2 3.57Å; F704-E729 HydrophobicContact CE2-CG 4.48Å; F704-E729 HydrophobicContact CZ-CG 4.09Å; F704-E729 WeakPolarHBondContact CZ-OE1 3.15Å
705	T	92.2	Very high	90.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	166.9	169.8	-169.7	0	0	0	0	111.4	I702 I725 H727 M728 E729	I702-T705 HydrophobicContact CG2-CG2 4Å; T705-I725 HydrophobicContact CG2-CG2 4.08Å; T705-H727 PolarHBondContact N-O 2.85Å; T705-M728 HydrophobicContact CG2-CB 4.38Å; T705-M728 HydrophobicContact CG2-CE 4.08Å; T705-M728 HydrophobicContact CG2-CG 3.99Å; T705-M728 HydrophobicContact CG2-SD 4.41Å; T705-M728 WeakPolarHBondContact O-CA 3.42Å; T705-E729 PolarHBondContact O-N 3.1Å
706	S	90	Very high	89.2	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.4	173.8	-176.9	0	0	0	0	108.7	S708 A709 E729	S706-S708 WeakPolarHBondContact CB-OG 3.15Å; S706-S708 PolarHBondContact O-N 2.86Å; S706-S708 VanDerWaalsContact O-N 3.14Å; S706-S708 PolarHBondContact OG-OG 2.98Å; S706-A709 WeakPolarHBondContact O-CB 3.21Å; S706-A709 PolarHBondContact O-N 2.77Å; S706-E729 WeakPolarHBondContact CA-O 3.19Å; S706-E729 PolarHBondContact OG-O 3.45Å
707	W	89.1	Confident	88.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.9	174.2	-70.8	104.4	0	0	0	112.7	A709 F710 Q711 M728 E729 G730 F731 F733 L734 V737 L743 F745 L758	W707-A709 PolarHBondContact O-N 3.22Å; W707-F710 HydrophobicContact CE3-CD2 4.42Å; W707-F710 PolarHBondContact O-N 3.06Å; W707-F710 VanDerWaalsContact O-N 3.14Å; W707-Q711 PolarHBondContact O-N 3.27Å; W707-M728 HydrophobicContact CD2-CE 3.48Å; W707-M728 VanDerWaalsContact CD2-CE 3.48Å; W707-M728 HydrophobicContact CE3-CE 3.77Å; W707-M728 HydrophobicContact CG-CE 4.08Å; W707-M728 HydrophobicContact CH2-CE 3.75Å; W707-M728 HydrophobicContact CZ2-CE 3.43Å; W707-M728 VanDerWaalsContact CZ2-CE 3.43Å; W707-M728 HydrophobicContact CZ2-SD 3.79Å; W707-M728 HydrophobicContact CZ3-CE 3.9Å; W707-E729 PolarHBondContact N-O 3.29Å; W707-G730 WeakPolarHBondContact CB-O 3.36Å; W707-F731 AromaticContact CD1-CD1 3.78Å; W707-F731 AromaticContact NE1-CD1 3.26Å; W707-F731 VanDerWaalsContact NE1-CD1 3.26Å; W707-F731 AromaticContact NE1-CE1 3.25Å; W707-F733 HydrophobicContact CB-CB 4.12Å; W707-L734 HydrophobicContact CD2-CB 4Å; W707-L734 HydrophobicContact CD2-CD1 3.82Å; W707-L734 HydrophobicContact CD2-CG 4.33Å; W707-L734 HydrophobicContact CE3-CD1 3.63Å; W707-L734 HydrophobicContact CG-CB 4.02Å; W707-L734 HydrophobicContact CH2-CD1 3.65Å; W707-L734 HydrophobicContact CH2-CD2 4.45Å; W707-L734 HydrophobicContact CZ2-CD1 3.84Å; W707-L734 HydrophobicContact CZ2-CD2 3.89Å; W707-L734 HydrophobicContact CZ2-CG 4.41Å; W707-L734 HydrophobicContact CZ3-CD1 3.55Å; W707-V737 HydrophobicContact CE3-CG1 4.49Å; W707-V737 WeakPolarHBondContact O-CG2 3.3Å; W707-L743 HydrophobicContact CH2-CD1 4.5Å; W707-L743 HydrophobicContact CH2-CD2 4.2Å; W707-L743 HydrophobicContact CZ3-CD1 4.23Å; W707-L743 HydrophobicContact CZ3-CD2 4.26Å; W707-F745 AromaticContact CH2-CD2 3.93Å; W707-F745 HydrophobicContact CH2-CD2 3.93Å; W707-F745 HydrophobicContact CH2-CE2 4.13Å; W707-L758 HydrophobicContact CZ2-CD1 3.77Å
708	S	89.2	Confident	88.8	Confident	13 Å²	13	37.1 Å²	37.1	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-20.6	174	62.4	0	0	0	0	113.7	P684 S706 F710 Q711	P684-S708 WeakPolarHBondContact CB-OG 3.36Å; P684-S708 WeakPolarHBondContact CG-OG 3.27Å; S706-S708 WeakPolarHBondContact CB-OG 3.15Å; S706-S708 PolarHBondContact O-N 2.86Å; S706-S708 VanDerWaalsContact O-N 3.14Å; S706-S708 PolarHBondContact OG-OG 2.98Å; S708-F710 PolarHBondContact O-N 2.89Å; S708-Q711 PolarHBondContact O-N 2.82Å
709	A	90.4	Very high	88.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-28.7	173.9	0	0	0	0	0	112.2	E683 M686 S706 W707	E683-A709 WeakPolarHBondContact O-CB 3.21Å; M686-A709 HydrophobicContact CG-CB 4.42Å; S706-A709 WeakPolarHBondContact O-CB 3.21Å; S706-A709 PolarHBondContact O-N 2.77Å; W707-A709 PolarHBondContact O-N 3.22Å
710	F	91.2	Very high	88.6	Confident	3 Å²	3	38 Å²	38	1%	0.013	19%	0.193	C	C	.	.	H	α-helix	trans	-100.1	-9.9	-178.8	-52.1	-73.1	0	0	0	113.7	L682 L695 I697 W707 S708 I713 L718 L720 M728 V737 K741	L682-F710 HydrophobicContact CD1-CZ 4.29Å; L695-F710 HydrophobicContact CD2-CD1 3.85Å; L695-F710 HydrophobicContact CD2-CE1 4.07Å; I697-F710 HydrophobicContact CD1-CE1 4.31Å; W707-F710 HydrophobicContact CE3-CD2 4.42Å; W707-F710 PolarHBondContact O-N 3.06Å; W707-F710 VanDerWaalsContact O-N 3.14Å; S708-F710 PolarHBondContact O-N 2.89Å; F710-I713 HydrophobicContact CD1-CD1 4.49Å; F710-L718 HydrophobicContact CB-CD2 3.95Å; F710-L718 HydrophobicContact CD1-CD1 4.1Å; F710-L718 HydrophobicContact CD1-CD2 4.19Å; F710-L718 HydrophobicContact CD2-CD2 4.39Å; F710-L718 HydrophobicContact CE1-CD1 4.36Å; F710-L718 HydrophobicContact CG-CD2 3.92Å; F710-L720 HydrophobicContact CE2-CD1 4.37Å; F710-L720 HydrophobicContact CZ-CD1 4.34Å; F710-L720 HydrophobicContact CZ-CD2 4.46Å; F710-M728 HydrophobicContact CE2-CE 4.36Å; F710-V737 HydrophobicContact CB-CG1 4.16Å; F710-K741 WeakPolarHBondContact O-CE 3.44Å; F710-K741 PolarHBondContact O-NZ 3.3Å
711	Q	86.3	Confident	88.4	Confident	72 Å²	72	39 Å²	39	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-44.5	-178.7	-175.3	-176.5	-3.7	0	0	111.7	W707 S708 I713 V737	W707-Q711 PolarHBondContact O-N 3.27Å; S708-Q711 PolarHBondContact O-N 2.82Å; Q711-I713 PolarHBondContact O-N 3.34Å; Q711-I713 VanDerWaalsContact O-N 3.12Å; Q711-V737 HydrophobicContact CB-CG2 4.02Å
712	G	83.6	Confident	88.4	Confident	21 Å²	21	36.1 Å²	36.1	22%	0.216	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.9	-176	0	0	0	0	0	115.6	A687 G689	A687-G712 CarbonylContact O-C 3.49Å; G689-G712 PolarHBondContact N-O 2.95Å
713	I	89.1	Confident	88.3	Confident	5 Å²	5	36 Å²	36	3%	0.026	20%	0.195	C	C	.	.			trans	-90.3	126	179.9	-55.5	173.5	0	0	0	108.7	A687 S690 I692 L695 F710 Q711 K741	A687-I713 HydrophobicContact CB-CD1 3.85Å; A687-I713 HydrophobicContact CB-CG1 3.6Å; S690-I713 CarbonylContact O-C 3.49Å; I692-I713 HydrophobicContact CB-CG2 3.66Å; I692-I713 HydrophobicContact CD1-CD1 4.4Å; I692-I713 HydrophobicContact CD1-CG2 3.94Å; I692-I713 HydrophobicContact CG1-CG2 3.97Å; L695-I713 HydrophobicContact CD2-CD1 3.78Å; F710-I713 HydrophobicContact CD1-CD1 4.49Å; Q711-I713 PolarHBondContact O-N 3.34Å; Q711-I713 VanDerWaalsContact O-N 3.12Å; I713-K741 WeakPolarHBondContact O-CE 3.15Å; I713-K741 PolarHBondContact O-NZ 2.69Å
714	R	84.8	Confident	88.3	Confident	176 Å²	176	36.8 Å²	36.8	66%	0.664	19%	0.189	S	C	*	.	B	Isolated β-bridge	trans	-94.5	134.1	174.6	-61.5	179	179.4	-175.5	0	109.7	S690 T691 I692	S690-R714 PolarHBondContact O-N 3.03Å; T691-R714 CarbonylContact C-O 3.53Å; T691-R714 VanDerWaalsContact CA-O 3.24Å; T691-R714 WeakPolarHBondContact CA-O 3.16Å; T691-R714 HydrophobicContact CG2-CB 4.1Å; I692-R714 PolarHBondContact N-O 2.9Å
715	G	72.5	Confident	88.3	Confident	30 Å²	30	35.3 Å²	35.3	31%	0.309	18%	0.182	S	C	.	.	S	Bend	trans	138.6	166.6	173.8	0	0	0	0	0	114.7	I692 K717 K741	I692-G715 CarbonylContact O-C 3.57Å; I692-G715 VanDerWaalsContact O-CA 3.29Å; I692-G715 WeakPolarHBondContact O-CA 3.48Å; G715-K717 PolarHBondContact O-N 3.44Å; G715-K741 WeakPolarHBondContact O-CG 3.49Å
716	A	67.1	Low	88	Confident	54 Å²	54	36 Å²	36	45%	0.446	19%	0.189	S	C	.	.	S	Bend	trans	-78.8	-21.4	-145.9	0	0	0	0	0	117.4	E693 I742	E693-A716 CarbonylContact O-C 3.53Å; E693-A716 PolarHBondContact O-N 3.03Å; A716-I742 WeakPolarHBondContact O-CB 3.31Å; A716-I742 PolarHBondContact O-N 3Å
717	K	90.4	Very high	87.7	Confident	90 Å²	90	38.6 Å²	38.6	39%	0.391	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	132.7	-173.9	-50.9	-172.2	-174.3	161.4	0	114.1	E693 N694 L695 G715 I742	E693-K717 PolarHBondContact O-N 2.81Å; N694-K717 WeakPolarHBondContact CA-O 2.97Å; N694-K717 WeakPolarHBondContact OD1-CB 2.91Å; N694-K717 WeakPolarHBondContact OD1-CD 3.18Å; N694-K717 WeakPolarHBondContact OD1-CG 3.42Å; L695-K717 PolarHBondContact N-O 2.89Å; G715-K717 PolarHBondContact O-N 3.44Å; K717-I742 WeakPolarHBondContact CA-O 3.47Å; K717-I742 HydrophobicContact CG-CB 4.17Å; K717-I742 HydrophobicContact CG-CD1 4.33Å
718	L	93.4	Very high	87.6	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118	170.1	174.4	58.4	0	0	0	109.2	L695 F710 L720 V737 K741 I742 L743 C744	L695-L718 HydrophobicContact CB-CD1 4.07Å; L695-L718 HydrophobicContact CD2-CD1 3.82Å; L695-L718 HydrophobicContact CG-CD1 3.87Å; F710-L718 HydrophobicContact CB-CD2 3.95Å; F710-L718 HydrophobicContact CD1-CD1 4.1Å; F710-L718 HydrophobicContact CD1-CD2 4.19Å; F710-L718 HydrophobicContact CD2-CD2 4.39Å; F710-L718 HydrophobicContact CE1-CD1 4.36Å; F710-L718 HydrophobicContact CG-CD2 3.92Å; L718-L720 HydrophobicContact CD1-CD2 4.2Å; L718-L720 HydrophobicContact CD1-CG 4.22Å; L718-L720 HydrophobicContact CG-CG 4.41Å; L718-V737 HydrophobicContact CD2-CG1 4.01Å; L718-K741 HydrophobicContact CB-CD 4.39Å; L718-I742 PolarHBondContact N-O 2.76Å; L718-L743 HydrophobicContact CB-CD1 4.29Å; L718-L743 HydrophobicContact CD2-CD1 3.93Å; L718-L743 HydrophobicContact CG-CD1 3.98Å; L718-L743 CarbonylContact O-C 3.59Å; L718-L743 WeakPolarHBondContact O-CA 3.37Å; L718-C744 PolarHBondContact O-N 3.16Å
719	R	93.1	Very high	87.5	Confident	103 Å²	103	41.8 Å²	41.8	39%	0.389	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.3	177.8	-55.1	-172.1	72	86.6	-6.2	109.9	L695 I696 I697 C744	L695-R719 PolarHBondContact O-N 2.79Å; I696-R719 WeakPolarHBondContact CA-O 3.46Å; I696-R719 HydrophobicContact CG1-CB 4.36Å; I696-R719 HydrophobicContact CG2-CB 4.45Å; I697-R719 PolarHBondContact N-O 3Å; R719-C744 CarbonylContact C-O 3.53Å; R719-C744 WeakPolarHBondContact CA-O 3.41Å; R719-C744 HydrophobicContact CG-CB 4.14Å; R719-C744 VanDerWaalsContact CZ-SG 3.56Å; R719-C744 PolarHBondContact NH2-SG 3.05Å; R719-C744 VanDerWaalsContact NH2-SG 3.38Å
720	L	92.9	Very high	87.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	103.5	171.1	-61.1	179.4	0	0	0	106.8	I697 F710 L718 C744 F745 N746 N748	I697-L720 HydrophobicContact CB-CD2 3.67Å; I697-L720 HydrophobicContact CD1-CD2 3.77Å; I697-L720 HydrophobicContact CG1-CD2 3.85Å; I697-L720 WeakPolarHBondContact O-CA 3.35Å; F710-L720 HydrophobicContact CE2-CD1 4.37Å; F710-L720 HydrophobicContact CZ-CD1 4.34Å; F710-L720 HydrophobicContact CZ-CD2 4.46Å; L718-L720 HydrophobicContact CD1-CD2 4.2Å; L718-L720 HydrophobicContact CD1-CG 4.22Å; L718-L720 HydrophobicContact CG-CG 4.41Å; L720-C744 PolarHBondContact N-O 3.34Å; L720-F745 HydrophobicContact CB-CD2 3.72Å; L720-F745 HydrophobicContact CB-CE2 4.02Å; L720-F745 HydrophobicContact CD1-CD2 3.79Å; L720-F745 HydrophobicContact CD1-CE2 3.77Å; L720-F745 HydrophobicContact CG-CD2 4.29Å; L720-F745 WeakPolarHBondContact O-CA 3.46Å; L720-N746 PolarHBondContact O-N 3.27Å; L720-N746 VanDerWaalsContact O-N 3.11Å; L720-N748 PolarHBondContact O-ND2 2.84Å; L720-N748 PolarHBondContact O-OD1 3.3Å
721	T	92.7	Very high	86.5	Confident	25 Å²	25	44 Å²	44	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137	-174.5	52.4	0	0	0	0	113.6	I697 A698 D699 N723 N746	I697-T721 PolarHBondContact O-N 3.46Å; A698-T721 VanDerWaalsContact CA-O 3.24Å; A698-T721 WeakPolarHBondContact CA-O 3.34Å; D699-T721 PolarHBondContact N-O 3.04Å; D699-T721 VanDerWaalsContact N-O 3.13Å; T721-N723 PolarHBondContact N-ND2 3.44Å; T721-N723 VanDerWaalsContact N-ND2 3.11Å; T721-N723 PolarHBondContact O-N 3.46Å; T721-N723 VanDerWaalsContact O-N 3.1Å; T721-N723 PolarHBondContact O-ND2 3.32Å; T721-N723 VanDerWaalsContact O-ND2 3.13Å; T721-N746 CarbonylContact C-O 3.59Å; T721-N746 WeakPolarHBondContact CA-O 3.34Å
722	N	92.4	Very high	86.1	Confident	85 Å²	85	45.2 Å²	45.2	46%	0.455	25%	0.246	S	C	.	.	S	Bend	trans	56.3	26.7	174.1	-57.6	-26.6	0	0	0	115.1	D699 N746 G747	D699-N722 WeakPolarHBondContact OD1-CB 3.38Å; D699-N722 PolarHBondContact OD1-ND2 2.05Å; N722-N746 PolarHBondContact N-O 3.31Å; N722-G747 WeakPolarHBondContact CA-O 3.33Å
723	N	92.5	Very high	85.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.253	C	S	.	.			trans	-89.1	160.5	-179.1	-57.7	-69.9	0	0	0	112.4	I697 D699 S700 T721 I725 N748 R749	I697-N723 PolarHBondContact O-ND2 3.01Å; D699-N723 PolarHBondContact N-OD1 2.87Å; S700-N723 WeakPolarHBondContact CB-OD1 3.42Å; S700-N723 PolarHBondContact N-OD1 2.93Å; S700-N723 CarbonylContact O-C 3.25Å; S700-N723 WeakPolarHBondContact O-CA 3.22Å; S700-N723 WeakPolarHBondContact O-CB 3.44Å; S700-N723 PolarHBondContact O-OD1 2.8Å; T721-N723 PolarHBondContact N-ND2 3.44Å; T721-N723 VanDerWaalsContact N-ND2 3.11Å; T721-N723 PolarHBondContact O-N 3.46Å; T721-N723 VanDerWaalsContact O-N 3.1Å; T721-N723 PolarHBondContact O-ND2 3.32Å; T721-N723 VanDerWaalsContact O-ND2 3.13Å; N723-I725 HydrophobicContact CB-CG1 4.22Å; N723-N748 VanDerWaalsContact CB-OD1 3.26Å; N723-N748 WeakPolarHBondContact CB-OD1 3.35Å; N723-N748 PolarHBondContact N-OD1 3.21Å; N723-N748 PolarHBondContact ND2-OD1 3.45Å; N723-N748 CarbonylContact O-C 3.31Å; N723-N748 VanDerWaalsContact O-CA 3.25Å; N723-N748 WeakPolarHBondContact O-CA 3.36Å; N723-R749 PolarHBondContact O-N 2.85Å
724	I	90.3	Very high	85.6	Confident	56 Å²	56	48 Å²	48	29%	0.287	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.5	164.5	-56.2	175.9	0	0	0	107.7	S700 R701 I702 R749 Y776	S700-I724 PolarHBondContact O-N 2.83Å; R701-I724 CarbonylContact C-O 3.53Å; R701-I724 WeakPolarHBondContact CA-O 3.45Å; R701-I724 HydrophobicContact CG-CB 4.31Å; R701-I724 HydrophobicContact CG-CD1 4.4Å; I702-I724 PolarHBondContact N-O 3.24Å; I724-R749 CarbonylContact C-O 3.53Å; I724-R749 WeakPolarHBondContact CA-O 3.38Å; I724-R749 HydrophobicContact CG1-CB 4.45Å; I724-Y776 HydrophobicContact CG2-CE1 4.13Å
725	I	90.5	Very high	85.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.8	-176.2	-52.1	179.9	0	0	0	109.4	I702 T705 N723 M728 F745 N748 R749 I750 E751 Y776	I702-I725 HydrophobicContact CB-CG1 4.38Å; I702-I725 HydrophobicContact CB-CG2 4.45Å; I702-I725 HydrophobicContact CD1-CG1 4.32Å; I702-I725 CarbonylContact O-C 3.57Å; I702-I725 WeakPolarHBondContact O-CA 3.31Å; T705-I725 HydrophobicContact CG2-CG2 4.08Å; N723-I725 HydrophobicContact CB-CG1 4.22Å; I725-M728 HydrophobicContact CD1-SD 4.5Å; I725-M728 HydrophobicContact CG2-CB 4.07Å; I725-F745 HydrophobicContact CD1-CE2 4.1Å; I725-F745 HydrophobicContact CD1-CZ 4.02Å; I725-N748 HydrophobicContact CD1-CB 4.45Å; I725-R749 PolarHBondContact N-O 3.39Å; I725-I750 HydrophobicContact CB-CG1 4.24Å; I725-I750 HydrophobicContact CB-CG2 4.48Å; I725-I750 HydrophobicContact CD1-CG1 4.37Å; I725-I750 WeakPolarHBondContact O-CA 3.34Å; I725-E751 PolarHBondContact O-N 2.97Å; I725-Y776 PolarHBondContact O-OH 2.82Å; I725-Y776 VanDerWaalsContact O-OH 3.13Å
726	G	85.9	Confident	85.7	Confident	14 Å²	14	42 Å²	42	14%	0.144	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	-62	177.3	0	0	0	0	0	113.1	I702 G703 E751 Y776	I702-G726 PolarHBondContact O-N 2.87Å; G703-G726 CarbonylContact O-C 3.58Å; G703-G726 WeakPolarHBondContact O-CA 3.08Å; G726-E751 WeakPolarHBondContact O-CB 3.5Å; G726-Y776 WeakPolarHBondContact CA-OH 3.05Å; G726-Y776 PolarHBondContact N-OH 2.77Å
727	H	85.2	Confident	86.4	Confident	58 Å²	58	39.5 Å²	39.5	27%	0.269	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.3	178.4	-169.3	73.6	0	0	0	109.9	G703 F704 T705 E751	G703-H727 PolarHBondContact O-N 2.82Å; F704-H727 WeakPolarHBondContact CA-O 3.1Å; F704-H727 HydrophobicContact CD2-CB 4.06Å; F704-H727 AromaticContact CD2-CD2 3.67Å; F704-H727 AromaticContact CE2-CD2 3.57Å; T705-H727 PolarHBondContact N-O 2.85Å; H727-E751 IonicContact CG-OE2 3.22Å; H727-E751 IonicContact ND1-OE2 3.38Å; H727-E751 PolarHBondContact ND1-OE2 3.21Å
728	M	86.4	Confident	85.9	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.2	177.6	-166.8	170	-155.1	0	0	110.9	T705 W707 F710 I725 F731 S754	T705-M728 HydrophobicContact CG2-CB 4.38Å; T705-M728 HydrophobicContact CG2-CE 4.08Å; T705-M728 HydrophobicContact CG2-CG 3.99Å; T705-M728 HydrophobicContact CG2-SD 4.41Å; T705-M728 WeakPolarHBondContact O-CA 3.42Å; W707-M728 HydrophobicContact CD2-CE 3.48Å; W707-M728 VanDerWaalsContact CD2-CE 3.48Å; W707-M728 HydrophobicContact CE3-CE 3.77Å; W707-M728 HydrophobicContact CG-CE 4.08Å; W707-M728 HydrophobicContact CH2-CE 3.75Å; W707-M728 HydrophobicContact CZ2-CE 3.43Å; W707-M728 VanDerWaalsContact CZ2-CE 3.43Å; W707-M728 HydrophobicContact CZ2-SD 3.79Å; W707-M728 HydrophobicContact CZ3-CE 3.9Å; F710-M728 HydrophobicContact CE2-CE 4.36Å; I725-M728 HydrophobicContact CD1-SD 4.5Å; I725-M728 HydrophobicContact CG2-CB 4.07Å; M728-F731 HydrophobicContact CB-CZ 4.49Å; M728-F731 HydrophobicContact CG-CZ 4.46Å; M728-F731 VanDerWaalsContact O-CE2 3.3Å; M728-F731 WeakPolarHBondContact O-CE2 3.45Å; M728-F731 WeakPolarHBondContact O-CZ 3.43Å; M728-S754 WeakPolarHBondContact O-CB 3.31Å; M728-S754 PolarHBondContact O-OG 2.98Å
729	E	86.2	Confident	85	Confident	78 Å²	78	40.6 Å²	40.6	36%	0.364	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-178.2	-179.9	66.8	172.1	-163.9	0	0	112.8	F704 T705 S706 W707	F704-E729 HydrophobicContact CE2-CG 4.48Å; F704-E729 HydrophobicContact CZ-CG 4.09Å; F704-E729 WeakPolarHBondContact CZ-OE1 3.15Å; T705-E729 PolarHBondContact O-N 3.1Å; S706-E729 WeakPolarHBondContact CA-O 3.19Å; S706-E729 PolarHBondContact OG-O 3.45Å; W707-E729 PolarHBondContact N-O 3.29Å
730	G	83.4	Confident	84.1	Confident	18 Å²	18	41.2 Å²	41.2	19%	0.186	24%	0.235	C	C	.	.			trans	77.2	31.5	174.6	0	0	0	0	0	114.3	W707 S732 F733	W707-G730 WeakPolarHBondContact CB-O 3.36Å; G730-S732 PolarHBondContact O-N 2.99Å; G730-F733 WeakPolarHBondContact O-CB 3.38Å; G730-F733 WeakPolarHBondContact O-CD2 3.43Å; G730-F733 PolarHBondContact O-N 3.28Å
731	F	78.2	Confident	83.5	Confident	31 Å²	31	42 Å²	42	14%	0.136	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-56.1	-24.7	-180	-64.8	-76	0	0	0	114.2	W707 M728 F733 L734 P735 S754 D757 L758	W707-F731 AromaticContact CD1-CD1 3.78Å; W707-F731 AromaticContact NE1-CD1 3.26Å; W707-F731 VanDerWaalsContact NE1-CD1 3.26Å; W707-F731 AromaticContact NE1-CE1 3.25Å; M728-F731 HydrophobicContact CB-CZ 4.49Å; M728-F731 HydrophobicContact CG-CZ 4.46Å; M728-F731 VanDerWaalsContact O-CE2 3.3Å; M728-F731 WeakPolarHBondContact O-CE2 3.45Å; M728-F731 WeakPolarHBondContact O-CZ 3.43Å; F731-F733 PolarHBondContact O-N 2.89Å; F731-L734 WeakPolarHBondContact O-CB 3.22Å; F731-L734 PolarHBondContact O-N 2.91Å; F731-L734 VanDerWaalsContact O-N 3.15Å; F731-P735 WeakPolarHBondContact O-CD 3.27Å; F731-S754 WeakPolarHBondContact CZ-O 3.44Å; F731-D757 HydrophobicContact CB-CB 3.79Å; F731-D757 HydrophobicContact CD1-CB 4.22Å; F731-D757 HydrophobicContact CD2-CB 3.92Å; F731-D757 HydrophobicContact CG-CB 3.68Å; F731-L758 HydrophobicContact CD1-CB 4.32Å; F731-L758 HydrophobicContact CD1-CD1 4.42Å; F731-L758 HydrophobicContact CE1-CB 3.7Å; F731-L758 HydrophobicContact CE1-CD1 3.77Å; F731-L758 HydrophobicContact CE1-CG 4.29Å; F731-L758 HydrophobicContact CZ-CB 4.34Å
732	S	76.8	Confident	83.1	Confident	98 Å²	98	44.6 Å²	44.6	69%	0.685	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.5	-25	170.8	51.8	0	0	0	0	113.8	G730	G730-S732 PolarHBondContact O-N 2.99Å
733	F	81.2	Confident	83	Confident	83 Å²	83	40.6 Å²	40.6	36%	0.364	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-89.3	-17.4	178.3	-60.7	-77.4	0	0	0	113.4	W707 G730 F731 A736 V737	W707-F733 HydrophobicContact CB-CB 4.12Å; G730-F733 WeakPolarHBondContact O-CB 3.38Å; G730-F733 WeakPolarHBondContact O-CD2 3.43Å; G730-F733 PolarHBondContact O-N 3.28Å; F731-F733 PolarHBondContact O-N 2.89Å; F733-A736 WeakPolarHBondContact O-CB 3.21Å; F733-A736 PolarHBondContact O-N 2.87Å; F733-A736 VanDerWaalsContact O-N 3.08Å; F733-V737 WeakPolarHBondContact O-CG2 3.43Å; F733-V737 PolarHBondContact O-N 2.8Å
734	L	81.3	Confident	82.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56	-43	-178.6	173.5	57.4	0	0	0	113.2	W707 F731 A736 V737 A738 L743 A761 Y765	W707-L734 HydrophobicContact CD2-CB 4Å; W707-L734 HydrophobicContact CD2-CD1 3.82Å; W707-L734 HydrophobicContact CD2-CG 4.33Å; W707-L734 HydrophobicContact CE3-CD1 3.63Å; W707-L734 HydrophobicContact CG-CB 4.02Å; W707-L734 HydrophobicContact CH2-CD1 3.65Å; W707-L734 HydrophobicContact CH2-CD2 4.45Å; W707-L734 HydrophobicContact CZ2-CD1 3.84Å; W707-L734 HydrophobicContact CZ2-CD2 3.89Å; W707-L734 HydrophobicContact CZ2-CG 4.41Å; W707-L734 HydrophobicContact CZ3-CD1 3.55Å; F731-L734 WeakPolarHBondContact O-CB 3.22Å; F731-L734 PolarHBondContact O-N 2.91Å; F731-L734 VanDerWaalsContact O-N 3.15Å; L734-A736 VanDerWaalsContact C-N 3.31Å; L734-A736 PolarHBondContact O-N 2.84Å; L734-V737 PolarHBondContact O-N 2.7Å; L734-A738 HydrophobicContact CD1-CB 4.4Å; L734-A738 WeakPolarHBondContact O-CB 3.25Å; L734-A738 PolarHBondContact O-N 2.66Å; L734-L743 HydrophobicContact CD1-CD2 3.62Å; L734-A761 HydrophobicContact CD2-CB 3.3Å; L734-A761 HydrophobicContact CG-CB 4.2Å; L734-Y765 HydrophobicContact CG-CD2 4.41Å
735	P	79	Confident	82.9	Confident	48 Å²	48	38 Å²	38	31%	0.312	22%	0.217	S	C	.	.	H	α-helix	trans	-52.6	-47.9	173.5	-28.8	36.6	0	0	0	112.6	F731 A738 T739 Y765	F731-P735 WeakPolarHBondContact O-CD 3.27Å; P735-A738 PolarHBondContact O-N 2.59Å; P735-T739 WeakPolarHBondContact O-CB 3.07Å; P735-T739 VanDerWaalsContact O-CG2 3.29Å; P735-T739 WeakPolarHBondContact O-CG2 3.46Å; P735-T739 PolarHBondContact O-N 2.9Å; P735-T739 PolarHBondContact O-OG1 3.28Å; P735-Y765 HydrophobicContact CB-CE2 4.21Å; P735-Y765 HydrophobicContact CG-CE2 4.11Å
736	A	80.7	Confident	82.8	Confident	34 Å²	34	39.6 Å²	39.6	28%	0.281	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-45	179.6	0	0	0	0	0	111.8	F733 L734 A738 T739 E740	F733-A736 WeakPolarHBondContact O-CB 3.21Å; F733-A736 PolarHBondContact O-N 2.87Å; F733-A736 VanDerWaalsContact O-N 3.08Å; L734-A736 VanDerWaalsContact C-N 3.31Å; L734-A736 PolarHBondContact O-N 2.84Å; A736-A738 VanDerWaalsContact C-N 3.34Å; A736-A738 PolarHBondContact O-N 2.94Å; A736-T739 PolarHBondContact O-OG1 3.27Å; A736-T739 VanDerWaalsContact O-OG1 3.11Å; A736-E740 WeakPolarHBondContact O-CG 3.45Å; A736-E740 PolarHBondContact O-N 3.22Å
737	V	82.3	Confident	82.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-44.2	177.4	175.9	0	0	0	0	111.2	W707 F710 Q711 L718 F733 L734 K741	W707-V737 HydrophobicContact CE3-CG1 4.49Å; W707-V737 WeakPolarHBondContact O-CG2 3.3Å; F710-V737 HydrophobicContact CB-CG1 4.16Å; Q711-V737 HydrophobicContact CB-CG2 4.02Å; L718-V737 HydrophobicContact CD2-CG1 4.01Å; F733-V737 WeakPolarHBondContact O-CG2 3.43Å; F733-V737 PolarHBondContact O-N 2.8Å; L734-V737 PolarHBondContact O-N 2.7Å; V737-K741 HydrophobicContact CG1-CD 4.29Å; V737-K741 VanDerWaalsContact O-CB 3.29Å; V737-K741 WeakPolarHBondContact O-CB 3.07Å; V737-K741 VanDerWaalsContact O-CG 3.26Å; V737-K741 WeakPolarHBondContact O-CG 3.41Å; V737-K741 PolarHBondContact O-N 3.37Å
738	A	78.9	Confident	83.1	Confident	13 Å²	13	36.9 Å²	36.9	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-80.4	-29.7	-176	0	0	0	0	0	114	L734 P735 A736 E740 K741 L743 Y765	L734-A738 HydrophobicContact CD1-CB 4.4Å; L734-A738 WeakPolarHBondContact O-CB 3.25Å; L734-A738 PolarHBondContact O-N 2.66Å; P735-A738 PolarHBondContact O-N 2.59Å; A736-A738 VanDerWaalsContact C-N 3.34Å; A736-A738 PolarHBondContact O-N 2.94Å; A738-E740 VanDerWaalsContact C-N 3.29Å; A738-K741 CarbonylContact C-O 3.56Å; A738-K741 PolarHBondContact O-N 2.48Å; A738-L743 HydrophobicContact CB-CB 4.48Å; A738-L743 HydrophobicContact CB-CD2 4.35Å; A738-Y765 HydrophobicContact CB-CD1 3.51Å; A738-Y765 HydrophobicContact CB-CD2 4.18Å; A738-Y765 HydrophobicContact CB-CE1 4.3Å; A738-Y765 HydrophobicContact CB-CG 3.45Å; A738-Y765 VanDerWaalsContact CB-CG 3.45Å
739	T	74.7	Confident	83	Confident	104 Å²	104	42 Å²	42	64%	0.638	23%	0.232	S	C	*	.	H	α-helix	trans	-70.4	-31.3	173.7	49.4	0	0	0	0	111.8	P735 A736 Y765	P735-T739 WeakPolarHBondContact O-CB 3.07Å; P735-T739 VanDerWaalsContact O-CG2 3.29Å; P735-T739 WeakPolarHBondContact O-CG2 3.46Å; P735-T739 PolarHBondContact O-N 2.9Å; P735-T739 PolarHBondContact O-OG1 3.28Å; A736-T739 PolarHBondContact O-OG1 3.27Å; A736-T739 VanDerWaalsContact O-OG1 3.11Å; T739-Y765 HydrophobicContact CG2-CE1 4.31Å
740	E	75.7	Confident	83	Confident	115 Å²	115	38.3 Å²	38.3	54%	0.537	22%	0.215	S	C	.	.	H	α-helix	trans	-81.6	-17.3	177.5	-71.3	-176	172.2	0	0	113.4	A736 A738	A736-E740 WeakPolarHBondContact O-CG 3.45Å; A736-E740 PolarHBondContact O-N 3.22Å; A738-E740 VanDerWaalsContact C-N 3.29Å
741	K	78.8	Confident	82.8	Confident	17 Å²	17	37.8 Å²	37.8	7%	0.074	21%	0.208	C	C	.	.	S	Bend	trans	-143.4	144.9	-166.1	-50.1	-179	173.6	73.2	0	112.2	F710 I713 G715 L718 V737 A738 L743	F710-K741 WeakPolarHBondContact O-CE 3.44Å; F710-K741 PolarHBondContact O-NZ 3.3Å; I713-K741 WeakPolarHBondContact O-CE 3.15Å; I713-K741 PolarHBondContact O-NZ 2.69Å; G715-K741 WeakPolarHBondContact O-CG 3.49Å; L718-K741 HydrophobicContact CB-CD 4.39Å; V737-K741 HydrophobicContact CG1-CD 4.29Å; V737-K741 VanDerWaalsContact O-CB 3.29Å; V737-K741 WeakPolarHBondContact O-CB 3.07Å; V737-K741 VanDerWaalsContact O-CG 3.26Å; V737-K741 WeakPolarHBondContact O-CG 3.41Å; V737-K741 PolarHBondContact O-N 3.37Å; A738-K741 CarbonylContact C-O 3.56Å; A738-K741 PolarHBondContact O-N 2.48Å; K741-L743 PolarHBondContact O-N 3.16Å
742	I	85.6	Confident	82.5	Confident	81 Å²	81	37.9 Å²	37.9	42%	0.415	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	105.8	165.4	-60.7	170	0	0	0	108.1	A716 K717 L718	A716-I742 WeakPolarHBondContact O-CB 3.31Å; A716-I742 PolarHBondContact O-N 3Å; K717-I742 WeakPolarHBondContact CA-O 3.47Å; K717-I742 HydrophobicContact CG-CB 4.17Å; K717-I742 HydrophobicContact CG-CD1 4.33Å; L718-I742 PolarHBondContact N-O 2.76Å
743	L	89.6	Confident	82.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.7	178.2	176.1	63.9	0	0	0	110.3	W707 L718 L734 A738 K741 F745 L762 S767	W707-L743 HydrophobicContact CH2-CD1 4.5Å; W707-L743 HydrophobicContact CH2-CD2 4.2Å; W707-L743 HydrophobicContact CZ3-CD1 4.23Å; W707-L743 HydrophobicContact CZ3-CD2 4.26Å; L718-L743 HydrophobicContact CB-CD1 4.29Å; L718-L743 HydrophobicContact CD2-CD1 3.93Å; L718-L743 HydrophobicContact CG-CD1 3.98Å; L718-L743 CarbonylContact O-C 3.59Å; L718-L743 WeakPolarHBondContact O-CA 3.37Å; L734-L743 HydrophobicContact CD1-CD2 3.62Å; A738-L743 HydrophobicContact CB-CB 4.48Å; A738-L743 HydrophobicContact CB-CD2 4.35Å; K741-L743 PolarHBondContact O-N 3.16Å; L743-F745 HydrophobicContact CD1-CB 4.34Å; L743-F745 HydrophobicContact CG-CB 4.33Å; L743-L762 HydrophobicContact CD2-CD2 4.33Å; L743-S767 WeakPolarHBondContact O-CB 3.44Å; L743-S767 PolarHBondContact O-N 2.92Å; L743-S767 PolarHBondContact O-OG 2.79Å
744	C	90.3	Very high	81.3	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.9	165.3	-179.4	0	0	0	0	109.1	L718 R719 L720 C768	L718-C744 PolarHBondContact O-N 3.16Å; R719-C744 CarbonylContact C-O 3.53Å; R719-C744 WeakPolarHBondContact CA-O 3.41Å; R719-C744 HydrophobicContact CG-CB 4.14Å; R719-C744 VanDerWaalsContact CZ-SG 3.56Å; R719-C744 PolarHBondContact NH2-SG 3.05Å; R719-C744 VanDerWaalsContact NH2-SG 3.38Å; L720-C744 PolarHBondContact N-O 3.34Å; C744-C768 WeakPolarHBondContact CA-SG 3.31Å; C744-C768 HydrophobicContact CB-CB 4.39Å; C744-C768 WeakPolarHBondContact CB-SG 3.39Å; C744-C768 WeakPolarHBondContact SG-CB 3.38Å; C744-C768 CovalentContact SG-SG 2.03Å; C744-C768 PolarHBondContact SG-SG 2.82Å
745	F	89.4	Confident	80.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	99.1	-178.9	-167.6	-86	0	0	0	109.3	W707 L720 I725 L743 N748 I750 L758 L762 N766 C768 N773	W707-F745 AromaticContact CH2-CD2 3.93Å; W707-F745 HydrophobicContact CH2-CD2 3.93Å; W707-F745 HydrophobicContact CH2-CE2 4.13Å; L720-F745 HydrophobicContact CB-CD2 3.72Å; L720-F745 HydrophobicContact CB-CE2 4.02Å; L720-F745 HydrophobicContact CD1-CD2 3.79Å; L720-F745 HydrophobicContact CD1-CE2 3.77Å; L720-F745 HydrophobicContact CG-CD2 4.29Å; L720-F745 WeakPolarHBondContact O-CA 3.46Å; I725-F745 HydrophobicContact CD1-CE2 4.1Å; I725-F745 HydrophobicContact CD1-CZ 4.02Å; L743-F745 HydrophobicContact CD1-CB 4.34Å; L743-F745 HydrophobicContact CG-CB 4.33Å; F745-N748 HydrophobicContact CE1-CB 3.97Å; F745-N748 WeakPolarHBondContact CE1-ND2 3.36Å; F745-N748 HydrophobicContact CZ-CB 3.91Å; F745-I750 HydrophobicContact CE1-CD1 3.54Å; F745-I750 HydrophobicContact CZ-CD1 3.43Å; F745-I750 VanDerWaalsContact CZ-CD1 3.43Å; F745-I750 HydrophobicContact CZ-CG1 4.34Å; F745-L758 HydrophobicContact CE1-CD2 4.31Å; F745-L762 HydrophobicContact CB-CD2 3.73Å; F745-L762 HydrophobicContact CD1-CD1 3.49Å; F745-L762 VanDerWaalsContact CD1-CD1 3.49Å; F745-L762 HydrophobicContact CD1-CD2 3.87Å; F745-L762 HydrophobicContact CD1-CG 4.34Å; F745-L762 HydrophobicContact CE1-CD1 3.91Å; F745-L762 HydrophobicContact CG-CD1 4.35Å; F745-L762 HydrophobicContact CG-CD2 3.89Å; F745-N766 PolarHBondContact N-OD1 2.69Å; F745-N766 PolarHBondContact O-ND2 3.21Å; F745-N766 PolarHBondContact O-OD1 2.82Å; F745-C768 PolarHBondContact N-SG 2.84Å; F745-N773 WeakPolarHBondContact CD1-ND2 3.44Å; F745-N773 WeakPolarHBondContact CD1-OD1 2.77Å; F745-N773 WeakPolarHBondContact CE1-OD1 3.46Å; F745-N773 PolarHBondContact O-ND2 3.23Å
746	N	88.9	Confident	79.5	Confident	34 Å²	34	45.1 Å²	45.1	18%	0.182	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.7	-172.1	-174.5	29.2	0	0	0	113.6	L720 T721 N722 N748 C768 N770 S772 N773	L720-N746 PolarHBondContact O-N 3.27Å; L720-N746 VanDerWaalsContact O-N 3.11Å; T721-N746 CarbonylContact C-O 3.59Å; T721-N746 WeakPolarHBondContact CA-O 3.34Å; N722-N746 PolarHBondContact N-O 3.31Å; N746-N748 PolarHBondContact N-ND2 2.85Å; N746-N748 PolarHBondContact O-N 3.34Å; N746-N748 VanDerWaalsContact O-N 3.09Å; N746-N748 PolarHBondContact O-ND2 3.42Å; N746-C768 HydrophobicContact CB-CB 4.04Å; N746-C768 VanDerWaalsContact CB-SG 3.53Å; N746-N770 PolarHBondContact ND2-O 2.82Å; N746-N770 PolarHBondContact OD1-O 3.43Å; N746-S772 PolarHBondContact OD1-N 2.58Å; N746-S772 PolarHBondContact OD1-OG 3.46Å; N746-S772 VanDerWaalsContact OD1-OG 3.11Å; N746-N773 VanDerWaalsContact C-OD1 3.31Å; N746-N773 WeakPolarHBondContact CA-OD1 3.13Å
747	G	87.5	Confident	78.7	Confident	15 Å²	15	48.4 Å²	48.4	16%	0.155	24%	0.242	C	C	.	.	S	Bend	trans	66.2	7.7	176.9	0	0	0	0	0	115.2	N722 S772 N773	N722-G747 WeakPolarHBondContact CA-O 3.33Å; G747-S772 VanDerWaalsContact CA-OG 3.31Å; G747-S772 WeakPolarHBondContact CA-OG 3.3Å; G747-S772 PolarHBondContact N-OG 2.92Å; G747-N773 PolarHBondContact N-OD1 2.94Å
748	N	89.3	Confident	78.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.			trans	-78.9	145.4	-178.4	-54.9	-73.3	0	0	0	111.5	L720 N723 I725 F745 N746 I750 N773 K774	L720-N748 PolarHBondContact O-ND2 2.84Å; L720-N748 PolarHBondContact O-OD1 3.3Å; N723-N748 VanDerWaalsContact CB-OD1 3.26Å; N723-N748 WeakPolarHBondContact CB-OD1 3.35Å; N723-N748 PolarHBondContact N-OD1 3.21Å; N723-N748 PolarHBondContact ND2-OD1 3.45Å; N723-N748 CarbonylContact O-C 3.31Å; N723-N748 VanDerWaalsContact O-CA 3.25Å; N723-N748 WeakPolarHBondContact O-CA 3.36Å; I725-N748 HydrophobicContact CD1-CB 4.45Å; F745-N748 HydrophobicContact CE1-CB 3.97Å; F745-N748 WeakPolarHBondContact CE1-ND2 3.36Å; F745-N748 HydrophobicContact CZ-CB 3.91Å; N746-N748 PolarHBondContact N-ND2 2.85Å; N746-N748 PolarHBondContact O-N 3.34Å; N746-N748 VanDerWaalsContact O-N 3.09Å; N746-N748 PolarHBondContact O-ND2 3.42Å; N748-I750 HydrophobicContact CB-CD1 4.5Å; N748-I750 HydrophobicContact CB-CG1 4.32Å; N748-N773 WeakPolarHBondContact CB-OD1 3.38Å; N748-N773 PolarHBondContact N-OD1 2.94Å; N748-N773 PolarHBondContact ND2-OD1 3.41Å; N748-N773 VanDerWaalsContact ND2-OD1 3.13Å; N748-N773 CarbonylContact O-C 3.42Å; N748-N773 VanDerWaalsContact O-CA 3.26Å; N748-N773 WeakPolarHBondContact O-CA 3.03Å; N748-K774 PolarHBondContact O-N 2.79Å
749	R	86.3	Confident	77.5	Confident	108 Å²	108	52 Å²	52	41%	0.408	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.9	170.5	-62.6	-174.7	-174.1	-177.4	1.8	109.6	N723 I724 I725 K774 Y776	N723-R749 PolarHBondContact O-N 2.85Å; I724-R749 CarbonylContact C-O 3.53Å; I724-R749 WeakPolarHBondContact CA-O 3.38Å; I724-R749 HydrophobicContact CG1-CB 4.45Å; I725-R749 PolarHBondContact N-O 3.39Å; R749-K774 CarbonylContact C-O 3.6Å; R749-K774 VanDerWaalsContact CA-O 3.23Å; R749-K774 WeakPolarHBondContact CA-O 3.42Å; R749-Y776 HydrophobicContact CB-CD1 4.15Å; R749-Y776 HydrophobicContact CB-CE1 4.43Å
750	I	85.3	Confident	77	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.2	-171	-50	165.1	0	0	0	110.6	I725 F745 N748 C752 L758 K774 C775 Y776	I725-I750 HydrophobicContact CB-CG1 4.24Å; I725-I750 HydrophobicContact CB-CG2 4.48Å; I725-I750 HydrophobicContact CD1-CG1 4.37Å; I725-I750 WeakPolarHBondContact O-CA 3.34Å; F745-I750 HydrophobicContact CE1-CD1 3.54Å; F745-I750 HydrophobicContact CZ-CD1 3.43Å; F745-I750 VanDerWaalsContact CZ-CD1 3.43Å; F745-I750 HydrophobicContact CZ-CG1 4.34Å; N748-I750 HydrophobicContact CB-CD1 4.5Å; N748-I750 HydrophobicContact CB-CG1 4.32Å; I750-C752 PolarHBondContact O-N 3.3Å; I750-L758 HydrophobicContact CD1-CD2 3.29Å; I750-K774 PolarHBondContact N-O 2.9Å; I750-C775 CarbonylContact O-C 3.56Å; I750-C775 WeakPolarHBondContact O-CA 3.27Å; I750-C775 VanDerWaalsContact O-CB 3.3Å; I750-C775 WeakPolarHBondContact O-CB 3.18Å; I750-Y776 VanDerWaalsContact C-CE1 3.42Å; I750-Y776 WeakPolarHBondContact O-CD1 2.93Å; I750-Y776 PolarHBondContact O-N 3.49Å
751	E	79.6	Confident	76.7	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.9	170.6	-177.9	-172	177.2	0	0	111.8	I725 G726 H727 N753 S754 Y776 K778	I725-E751 PolarHBondContact O-N 2.97Å; G726-E751 WeakPolarHBondContact O-CB 3.5Å; H727-E751 IonicContact CG-OE2 3.22Å; H727-E751 IonicContact ND1-OE2 3.38Å; H727-E751 PolarHBondContact ND1-OE2 3.21Å; E751-N753 HydrophobicContact CG-CB 4.32Å; E751-N753 PolarHBondContact O-N 2.79Å; E751-N753 VanDerWaalsContact O-N 3.13Å; E751-N753 PolarHBondContact OE1-ND2 2.79Å; E751-S754 WeakPolarHBondContact O-CB 3.49Å; E751-S754 PolarHBondContact O-N 2.81Å; E751-S754 VanDerWaalsContact O-N 3.08Å; E751-Y776 CarbonylContact C-O 3.48Å; E751-Y776 WeakPolarHBondContact CA-O 3.03Å; E751-K778 HydrophobicContact CG-CB 4.28Å; E751-K778 WeakPolarHBondContact OE1-CB 3.24Å; E751-K778 WeakPolarHBondContact OE1-CD 3.34Å; E751-K778 WeakPolarHBondContact OE1-CG 3.4Å; E751-K778 IonicContact OE1-NZ 2.81Å
752	C	71.2	Confident	76.4	Confident	33 Å²	33	45.1 Å²	45.1	22%	0.223	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.6	-172.9	-64.9	0	0	0	0	114.4	I750 S754 T755 C775 Y776	I750-C752 PolarHBondContact O-N 3.3Å; C752-S754 PolarHBondContact O-N 3.01Å; C752-S754 VanDerWaalsContact O-N 3.08Å; C752-T755 HydrophobicContact CB-CG2 4.46Å; C752-T755 WeakPolarHBondContact O-CB 3.36Å; C752-T755 WeakPolarHBondContact O-CG2 3.39Å; C752-T755 PolarHBondContact O-N 3.33Å; C752-T755 PolarHBondContact O-OG1 3.36Å; C752-C775 HydrophobicContact CB-CB 3.92Å; C752-C775 WeakPolarHBondContact CB-SG 3.27Å; C752-C775 WeakPolarHBondContact SG-CB 3.45Å; C752-C775 CovalentContact SG-SG 2.06Å; C752-C775 PolarHBondContact SG-SG 3.21Å; C752-Y776 PolarHBondContact N-O 3.03Å; C752-Y776 PolarHBondContact SG-N 2.83Å; C752-Y776 VanDerWaalsContact SG-N 3.39Å; C752-Y776 PolarHBondContact SG-O 2.94Å; C752-Y776 VanDerWaalsContact SG-O 3.4Å
753	N	69.1	Low	75.6	Confident	115 Å²	115	49.5 Å²	49.5	62%	0.615	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-58.2	-24.5	176.4	-76.2	-28.3	0	0	0	113.1	E751	E751-N753 HydrophobicContact CG-CB 4.32Å; E751-N753 PolarHBondContact O-N 2.79Å; E751-N753 VanDerWaalsContact O-N 3.13Å; E751-N753 PolarHBondContact OE1-ND2 2.79Å
754	S	64.1	Low	74.6	Confident	8 Å²	8	54.3 Å²	54.3	6%	0.056	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-90.8	2.9	-179.5	-67.1	0	0	0	0	113.6	M728 F731 E751 C752 L758	M728-S754 WeakPolarHBondContact O-CB 3.31Å; M728-S754 PolarHBondContact O-OG 2.98Å; F731-S754 WeakPolarHBondContact CZ-O 3.44Å; E751-S754 WeakPolarHBondContact O-CB 3.49Å; E751-S754 PolarHBondContact O-N 2.81Å; E751-S754 VanDerWaalsContact O-N 3.08Å; C752-S754 PolarHBondContact O-N 3.01Å; C752-S754 VanDerWaalsContact O-N 3.08Å; S754-L758 WeakPolarHBondContact O-CB 3.36Å
755	T	61.3	Low	74.1	Confident	34 Å²	34	57.4 Å²	57.4	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-88.4	-30.1	-162.8	57	0	0	0	0	116	C752 D757 L758 R759 C775 I798	C752-T755 HydrophobicContact CB-CG2 4.46Å; C752-T755 WeakPolarHBondContact O-CB 3.36Å; C752-T755 WeakPolarHBondContact O-CG2 3.39Å; C752-T755 PolarHBondContact O-N 3.33Å; C752-T755 PolarHBondContact O-OG1 3.36Å; T755-D757 PolarHBondContact O-N 3.48Å; T755-L758 PolarHBondContact O-N 2.81Å; T755-R759 PolarHBondContact O-N 3.02Å; T755-C775 HydrophobicContact CG2-CB 3.37Å; T755-I798 HydrophobicContact CG2-CD1 4.19Å
756	R	61.1	Low	73.6	Confident	223 Å²	223	59 Å²	59	84%	0.842	30%	0.297	S	S	*	.	H	α-helix	trans	-64.2	-44.9	-169.2	-151.8	-178.9	-164.9	-175.4	5.6	111.7
757	D	63.4	Low	73.3	Confident	103 Å²	103	60.7 Å²	60.7	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-73.5	-33.1	176.9	-62.2	-24.7	0	0	0	111.8	F731 T755 A761	F731-D757 HydrophobicContact CB-CB 3.79Å; F731-D757 HydrophobicContact CD1-CB 4.22Å; F731-D757 HydrophobicContact CD2-CB 3.92Å; F731-D757 HydrophobicContact CG-CB 3.68Å; T755-D757 PolarHBondContact O-N 3.48Å; D757-A761 WeakPolarHBondContact O-CB 3.46Å; D757-A761 PolarHBondContact O-N 2.9Å
758	L	70.4	Confident	72.9	Confident	1 Å²	1	61 Å²	61	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-44.3	179.5	-175.8	72.3	0	0	0	112.4	W707 F731 F745 I750 S754 T755 A760 A761 L762	W707-L758 HydrophobicContact CZ2-CD1 3.77Å; F731-L758 HydrophobicContact CD1-CB 4.32Å; F731-L758 HydrophobicContact CD1-CD1 4.42Å; F731-L758 HydrophobicContact CE1-CB 3.7Å; F731-L758 HydrophobicContact CE1-CD1 3.77Å; F731-L758 HydrophobicContact CE1-CG 4.29Å; F731-L758 HydrophobicContact CZ-CB 4.34Å; F745-L758 HydrophobicContact CE1-CD2 4.31Å; I750-L758 HydrophobicContact CD1-CD2 3.29Å; S754-L758 WeakPolarHBondContact O-CB 3.36Å; T755-L758 PolarHBondContact O-N 2.81Å; L758-A760 PolarHBondContact O-N 2.85Å; L758-A761 PolarHBondContact O-N 2.84Å; L758-L762 HydrophobicContact CD1-CD1 3.72Å; L758-L762 HydrophobicContact CD1-CD2 4.2Å; L758-L762 HydrophobicContact CD1-CG 3.71Å; L758-L762 HydrophobicContact CD2-CD1 3.99Å; L758-L762 HydrophobicContact CG-CD1 3.59Å; L758-L762 HydrophobicContact CG-CG 3.9Å; L758-L762 WeakPolarHBondContact O-CB 3.28Å; L758-L762 WeakPolarHBondContact O-CG 3.23Å; L758-L762 PolarHBondContact O-N 3.06Å
759	R	66.1	Low	71.6	Confident	89 Å²	89	69.4 Å²	69.4	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-44.5	-176.1	-168.4	172.5	-156.5	156.5	2.6	111.9	T755 H763 E796 N797 I798	T755-R759 PolarHBondContact O-N 3.02Å; R759-H763 PolarHBondContact O-N 3.27Å; R759-E796 IonicContact CZ-OE2 2.83Å; R759-E796 IonicContact NH1-OE2 2.74Å; R759-E796 PolarHBondContact NH1-OE2 3.47Å; R759-E796 IonicContact NH2-OE2 3.81Å; R759-E796 PolarHBondContact NH2-OE2 2.01Å; R759-N797 PolarHBondContact NH2-O 3.44Å; R759-N797 VanDerWaalsContact NH2-O 3.11Å; R759-I798 HydrophobicContact CB-CG2 3.89Å; R759-I798 HydrophobicContact CG-CG2 3.59Å; R759-I798 PolarHBondContact NE-O 3.4Å; R759-I798 PolarHBondContact NH2-O 3.21Å
760	A	64.4	Low	70.4	Confident	72 Å²	72	69.7 Å²	69.7	60%	0.595	37%	0.365	S	S	*	.	H	α-helix	trans	-65.5	-39.7	177.7	0	0	0	0	0	111.9	L758	L758-A760 PolarHBondContact O-N 2.85Å
761	A	69.1	Low	69.4	Low	16 Å²	16	71.5 Å²	71.5	13%	0.132	38%	0.375	C	S	.	.	H	α-helix	trans	-77.2	-43	-177.2	0	0	0	0	0	113.2	L734 D757 L758 H763 V764 Y765	L734-A761 HydrophobicContact CD2-CB 3.3Å; L734-A761 HydrophobicContact CG-CB 4.2Å; D757-A761 WeakPolarHBondContact O-CB 3.46Å; D757-A761 PolarHBondContact O-N 2.9Å; L758-A761 PolarHBondContact O-N 2.84Å; A761-H763 VanDerWaalsContact C-N 3.27Å; A761-H763 PolarHBondContact O-N 2.89Å; A761-V764 PolarHBondContact O-N 2.88Å; A761-V764 VanDerWaalsContact O-N 3.09Å; A761-Y765 HydrophobicContact CB-CD2 4.33Å; A761-Y765 WeakPolarHBondContact O-CD2 3.32Å; A761-Y765 PolarHBondContact O-N 3.48Å
762	L	72.5	Confident	69.2	Low	3 Å²	3	73.4 Å²	73.4	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-63.7	-32.5	178.8	-73.5	-178.2	0	0	0	112.5	L743 F745 L758 V764 Y765 N766	L743-L762 HydrophobicContact CD2-CD2 4.33Å; F745-L762 HydrophobicContact CB-CD2 3.73Å; F745-L762 HydrophobicContact CD1-CD1 3.49Å; F745-L762 VanDerWaalsContact CD1-CD1 3.49Å; F745-L762 HydrophobicContact CD1-CD2 3.87Å; F745-L762 HydrophobicContact CD1-CG 4.34Å; F745-L762 HydrophobicContact CE1-CD1 3.91Å; F745-L762 HydrophobicContact CG-CD1 4.35Å; F745-L762 HydrophobicContact CG-CD2 3.89Å; L758-L762 HydrophobicContact CD1-CD1 3.72Å; L758-L762 HydrophobicContact CD1-CD2 4.2Å; L758-L762 HydrophobicContact CD1-CG 3.71Å; L758-L762 HydrophobicContact CD2-CD1 3.99Å; L758-L762 HydrophobicContact CG-CD1 3.59Å; L758-L762 HydrophobicContact CG-CG 3.9Å; L758-L762 WeakPolarHBondContact O-CB 3.28Å; L758-L762 WeakPolarHBondContact O-CG 3.23Å; L758-L762 PolarHBondContact O-N 3.06Å; L762-V764 PolarHBondContact O-N 2.74Å; L762-Y765 PolarHBondContact O-N 3.13Å; L762-N766 HydrophobicContact CB-CB 4.44Å; L762-N766 HydrophobicContact CD2-CB 4.45Å; L762-N766 WeakPolarHBondContact O-CB 3.35Å; L762-N766 PolarHBondContact O-N 3.22Å
763	H	67.9	Low	69.6	Low	173 Å²	173	71.8 Å²	71.8	80%	0.801	38%	0.378	S	S	*	.	H	α-helix	trans	-59.7	-29.3	175.5	-170	45.6	0	0	0	112.8	R759 A761	R759-H763 PolarHBondContact O-N 3.27Å; A761-H763 VanDerWaalsContact C-N 3.27Å; A761-H763 PolarHBondContact O-N 2.89Å
764	V	69.8	Low	70.1	Confident	102 Å²	102	70 Å²	70	62%	0.618	37%	0.365	S	S	*	.	H	α-helix	trans	-90.1	-38.3	-179.7	-179.6	0	0	0	0	111.8	A761 L762	A761-V764 PolarHBondContact O-N 2.88Å; A761-V764 VanDerWaalsContact O-N 3.09Å; L762-V764 PolarHBondContact O-N 2.74Å
765	Y	79.3	Confident	70.8	Confident	68 Å²	68	70.8 Å²	70.8	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-108.6	-13.7	-164.6	-65.6	-56.6	0	0	0	115.3	L734 P735 A738 T739 A761 L762 S767	L734-Y765 HydrophobicContact CG-CD2 4.41Å; P735-Y765 HydrophobicContact CB-CE2 4.21Å; P735-Y765 HydrophobicContact CG-CE2 4.11Å; A738-Y765 HydrophobicContact CB-CD1 3.51Å; A738-Y765 HydrophobicContact CB-CD2 4.18Å; A738-Y765 HydrophobicContact CB-CE1 4.3Å; A738-Y765 HydrophobicContact CB-CG 3.45Å; A738-Y765 VanDerWaalsContact CB-CG 3.45Å; T739-Y765 HydrophobicContact CG2-CE1 4.31Å; A761-Y765 HydrophobicContact CB-CD2 4.33Å; A761-Y765 WeakPolarHBondContact O-CD2 3.32Å; A761-Y765 PolarHBondContact O-N 3.48Å; L762-Y765 PolarHBondContact O-N 3.13Å; Y765-S767 PolarHBondContact O-N 2.82Å
766	N	79.7	Confident	71.4	Confident	33 Å²	33	70 Å²	70	18%	0.176	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-76.8	124.6	-176	-167	17.9	0	0	0	111.7	F745 L762 C768	F745-N766 PolarHBondContact N-OD1 2.69Å; F745-N766 PolarHBondContact O-ND2 3.21Å; F745-N766 PolarHBondContact O-OD1 2.82Å; L762-N766 HydrophobicContact CB-CB 4.44Å; L762-N766 HydrophobicContact CD2-CB 4.45Å; L762-N766 WeakPolarHBondContact O-CB 3.35Å; L762-N766 PolarHBondContact O-N 3.22Å; N766-C768 PolarHBondContact OD1-N 3.29Å; N766-C768 PolarHBondContact OD1-SG 3.03Å
767	S	82.5	Confident	71.6	Confident	69 Å²	69	62.1 Å²	62.1	48%	0.483	35%	0.346	S	S	.	.			trans	-100	3.5	-179.2	-54.9	0	0	0	0	113.7	L743 Y765	L743-S767 WeakPolarHBondContact O-CB 3.44Å; L743-S767 PolarHBondContact O-N 2.92Å; L743-S767 PolarHBondContact O-OG 2.79Å; Y765-S767 PolarHBondContact O-N 2.82Å
768	C	78.7	Confident	71.4	Confident	22 Å²	22	64.6 Å²	64.6	15%	0.149	35%	0.352	C	S	.	.	S	Bend	trans	-77	146.8	173.5	-42.5	0	0	0	0	110.6	C744 F745 N746 N766 N770	C744-C768 WeakPolarHBondContact CA-SG 3.31Å; C744-C768 HydrophobicContact CB-CB 4.39Å; C744-C768 WeakPolarHBondContact CB-SG 3.39Å; C744-C768 WeakPolarHBondContact SG-CB 3.38Å; C744-C768 CovalentContact SG-SG 2.03Å; C744-C768 PolarHBondContact SG-SG 2.82Å; F745-C768 PolarHBondContact N-SG 2.84Å; N746-C768 HydrophobicContact CB-CB 4.04Å; N746-C768 VanDerWaalsContact CB-SG 3.53Å; N766-C768 PolarHBondContact OD1-N 3.29Å; N766-C768 PolarHBondContact OD1-SG 3.03Å; C768-N770 PolarHBondContact O-N 3.34Å
769	D	61.8	Low	70.6	Confident	177 Å²	177	68 Å²	68	95%	0.947	39%	0.387	S	S	*	.	S	Bend	trans	-62.8	-12.4	177.5	-61.8	-41.7	0	0	0	114.1
770	N	61.6	Low	69.9	Low	114 Å²	114	67.4 Å²	67.4	61%	0.61	39%	0.393	S	S	*	.			trans	-147.7	147.4	-176.1	-145.5	-3.1	0	0	0	111.6	N746 C768	N746-N770 PolarHBondContact ND2-O 2.82Å; N746-N770 PolarHBondContact OD1-O 3.43Å; C768-N770 PolarHBondContact O-N 3.34Å
771	D	63.6	Low	69	Low	38 Å²	38	69.2 Å²	69.2	20%	0.203	39%	0.392	C	S	.	.			trans	-117.9	93.3	173.7	-178.5	2	0	0	0	109.7	N773	D771-N773 WeakPolarHBondContact OD1-CB 3.3Å; D771-N773 PolarHBondContact OD1-N 3.45Å; D771-N773 VanDerWaalsContact OD1-N 3.08Å; D771-N773 PolarHBondContact OD1-ND2 3.27Å
772	S	75.6	Confident	67.3	Low	48 Å²	48	77.9 Å²	77.9	34%	0.336	43%	0.43	S	S	.	.			trans	-104.7	23.8	173.4	72	0	0	0	0	112.6	N746 G747	N746-S772 PolarHBondContact OD1-N 2.58Å; N746-S772 PolarHBondContact OD1-OG 3.46Å; N746-S772 VanDerWaalsContact OD1-OG 3.11Å; G747-S772 VanDerWaalsContact CA-OG 3.31Å; G747-S772 WeakPolarHBondContact CA-OG 3.3Å; G747-S772 PolarHBondContact N-OG 2.92Å
773	N	80.1	Confident	65.1	Low	0 Å²	0	80.4 Å²	80.4	0%	0	46%	0.457	C	S	.	.			trans	-65.8	141.4	176.5	-60.4	-66.9	0	0	0	110	F745 N746 G747 N748 D771	F745-N773 WeakPolarHBondContact CD1-ND2 3.44Å; F745-N773 WeakPolarHBondContact CD1-OD1 2.77Å; F745-N773 WeakPolarHBondContact CE1-OD1 3.46Å; F745-N773 PolarHBondContact O-ND2 3.23Å; N746-N773 VanDerWaalsContact C-OD1 3.31Å; N746-N773 WeakPolarHBondContact CA-OD1 3.13Å; G747-N773 PolarHBondContact N-OD1 2.94Å; N748-N773 WeakPolarHBondContact CB-OD1 3.38Å; N748-N773 PolarHBondContact N-OD1 2.94Å; N748-N773 PolarHBondContact ND2-OD1 3.41Å; N748-N773 VanDerWaalsContact ND2-OD1 3.13Å; N748-N773 CarbonylContact O-C 3.42Å; N748-N773 VanDerWaalsContact O-CA 3.26Å; N748-N773 WeakPolarHBondContact O-CA 3.03Å; D771-N773 WeakPolarHBondContact OD1-CB 3.3Å; D771-N773 PolarHBondContact OD1-N 3.45Å; D771-N773 VanDerWaalsContact OD1-N 3.08Å; D771-N773 PolarHBondContact OD1-ND2 3.27Å
774	K	80.2	Confident	63.1	Low	76 Å²	76	78.4 Å²	78.4	33%	0.33	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	156.9	-180	-56.5	-173.4	177.2	-178.3	0	110	N748 R749 I750 L788	N748-K774 PolarHBondContact O-N 2.79Å; R749-K774 CarbonylContact C-O 3.6Å; R749-K774 VanDerWaalsContact CA-O 3.23Å; R749-K774 WeakPolarHBondContact CA-O 3.42Å; I750-K774 PolarHBondContact N-O 2.9Å; K774-L788 HydrophobicContact CB-CD1 3.49Å; K774-L788 VanDerWaalsContact CB-CD1 3.49Å; K774-L788 HydrophobicContact CD-CD1 4.09Å; K774-L788 HydrophobicContact CG-CD1 4.41Å
775	C	78.1	Confident	60.9	Low	26 Å²	26	81.6 Å²	81.6	18%	0.176	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.3	172.9	87.1	0	0	0	0	112.8	I750 C752 T755 L788 I798	I750-C775 CarbonylContact O-C 3.56Å; I750-C775 WeakPolarHBondContact O-CA 3.27Å; I750-C775 VanDerWaalsContact O-CB 3.3Å; I750-C775 WeakPolarHBondContact O-CB 3.18Å; C752-C775 HydrophobicContact CB-CB 3.92Å; C752-C775 WeakPolarHBondContact CB-SG 3.27Å; C752-C775 WeakPolarHBondContact SG-CB 3.45Å; C752-C775 CovalentContact SG-SG 2.06Å; C752-C775 PolarHBondContact SG-SG 3.21Å; T755-C775 HydrophobicContact CG2-CB 3.37Å; C775-L788 WeakPolarHBondContact O-CD1 3.4Å; C775-L788 WeakPolarHBondContact O-CD2 3.48Å; C775-L788 WeakPolarHBondContact O-CG 3.49Å; C775-I798 HydrophobicContact CB-CD1 4.16Å
776	Y	74	Confident	58.4	Low	18 Å²	18	85.1 Å²	85.1	7%	0.071	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.2	176.2	67.9	-90	0	0	0	112.4	I724 I725 G726 R749 I750 E751 C752 I781	I724-Y776 HydrophobicContact CG2-CE1 4.13Å; I725-Y776 PolarHBondContact O-OH 2.82Å; I725-Y776 VanDerWaalsContact O-OH 3.13Å; G726-Y776 WeakPolarHBondContact CA-OH 3.05Å; G726-Y776 PolarHBondContact N-OH 2.77Å; R749-Y776 HydrophobicContact CB-CD1 4.15Å; R749-Y776 HydrophobicContact CB-CE1 4.43Å; I750-Y776 VanDerWaalsContact C-CE1 3.42Å; I750-Y776 WeakPolarHBondContact O-CD1 2.93Å; I750-Y776 PolarHBondContact O-N 3.49Å; E751-Y776 CarbonylContact C-O 3.48Å; E751-Y776 WeakPolarHBondContact CA-O 3.03Å; C752-Y776 PolarHBondContact N-O 3.03Å; C752-Y776 PolarHBondContact SG-N 2.83Å; C752-Y776 VanDerWaalsContact SG-N 3.39Å; C752-Y776 PolarHBondContact SG-O 2.94Å; C752-Y776 VanDerWaalsContact SG-O 3.4Å; Y776-I781 HydrophobicContact CE2-CD1 4.27Å; Y776-I781 HydrophobicContact CE2-CG1 3.82Å
777	A	64.7	Low	55.9	Low	57 Å²	57	88.7 Å²	88.7	47%	0.471	51%	0.509	S	S	.	.			trans	-73.9	141.3	-178.5	0	0	0	0	0	111.9	G779 T780	A777-G779 PolarHBondContact O-N 3.43Å; A777-T780 HydrophobicContact CB-CG2 4.35Å; A777-T780 PolarHBondContact O-N 2.01Å; A777-T780 PolarHBondContact O-OG1 2.91Å
778	K	59.6	Low	53.4	Low	155 Å²	155	87.8 Å²	87.8	67%	0.674	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	130.4	176.8	-165.1	178.6	-162.3	158.9	0	110.8	E751	E751-K778 HydrophobicContact CG-CB 4.28Å; E751-K778 WeakPolarHBondContact OE1-CB 3.24Å; E751-K778 WeakPolarHBondContact OE1-CD 3.34Å; E751-K778 WeakPolarHBondContact OE1-CG 3.4Å; E751-K778 IonicContact OE1-NZ 2.81Å
779	G	53.8	Low	51.1	Low	71 Å²	71	92.5 Å²	92.5	73%	0.732	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-3.2	178.7	0	0	0	0	0	116.1	A777 I781	A777-G779 PolarHBondContact O-N 3.43Å; G779-I781 VanDerWaalsContact C-N 3.31Å; G779-I781 PolarHBondContact O-N 3.33Å
780	T	50.1	Low	49.9	Very low	77 Å²	77	86.6 Å²	86.6	47%	0.472	49%	0.489	S	S	.	.			trans	-87.8	15.4	178.3	53.3	0	0	0	0	114.9	A777 E782	A777-T780 HydrophobicContact CB-CG2 4.35Å; A777-T780 PolarHBondContact O-N 2.01Å; A777-T780 PolarHBondContact O-OG1 2.91Å; T780-E782 PolarHBondContact O-N 2.75Å
781	I	47.4	Very low	48.8	Very low	110 Å²	110	90.2 Å²	90.2	56%	0.564	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.6	-168.5	-61.5	177	0	0	0	113.5	Y776 G779	Y776-I781 HydrophobicContact CE2-CD1 4.27Å; Y776-I781 HydrophobicContact CE2-CG1 3.82Å; G779-I781 VanDerWaalsContact C-N 3.31Å; G779-I781 PolarHBondContact O-N 3.33Å
782	E	32	Very low	47.6	Very low	198 Å²	198	95.5 Å²	95.5	93%	0.925	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	12.4	-173.9	-66.7	-169.4	154.5	0	0	116	T780	T780-E782 PolarHBondContact O-N 2.75Å
783	G	27.2	Very low	45.7	Very low	57 Å²	57	95.2 Å²	95.2	59%	0.588	54%	0.535	S	S	*	.	S	Bend	trans	-111.7	134	-179.1	0	0	0	0	0	113.3
784	T	25.7	Very low	43.4	Very low	130 Å²	130	101.7 Å²	101.7	80%	0.798	57%	0.565	S	S	*	*			trans	-25.3	136.1	167.6	40.4	0	0	0	0	116.1	N786	T784-N786 PolarHBondContact O-N 3.39Å
785	M	24	Very low	41.1	Very low	169 Å²	169	105 Å²	105	83%	0.833	58%	0.58	S	S	*	*			trans	-34.2	98.6	169.5	-82.1	173.5	162.5	0	0	113.1
786	N	25.6	Very low	39.1	Very low	142 Å²	142	108.3 Å²	108.3	76%	0.759	59%	0.592	S	S	*	*			trans	-123.9	125.1	156.3	-79.9	-30.1	0	0	0	107.4	T784 L788	T784-N786 PolarHBondContact O-N 3.39Å; N786-L788 PolarHBondContact O-N 3.1Å
787	D	28	Very low	37.4	Very low	108 Å²	108	111.2 Å²	111.2	58%	0.578	61%	0.609	S	S	*	*			trans	-43.2	133.4	179.4	-74.3	-28.2	0	0	0	112.3	K795	D787-K795 IonicContact OD2-NZ 3.71Å; D787-K795 PolarHBondContact OD2-NZ 3.13Å
788	L	30.3	Very low	36.4	Very low	50 Å²	50	109.1 Å²	109.1	26%	0.262	59%	0.59	S	S	.	*			trans	-64.5	138	-176.7	-66.6	162.2	0	0	0	112.4	K774 C775 N786	K774-L788 HydrophobicContact CB-CD1 3.49Å; K774-L788 VanDerWaalsContact CB-CD1 3.49Å; K774-L788 HydrophobicContact CD-CD1 4.09Å; K774-L788 HydrophobicContact CG-CD1 4.41Å; C775-L788 WeakPolarHBondContact O-CD1 3.4Å; C775-L788 WeakPolarHBondContact O-CD2 3.48Å; C775-L788 WeakPolarHBondContact O-CG 3.49Å; N786-L788 PolarHBondContact O-N 3.1Å
789	M	29.8	Very low	35.2	Very low	121 Å²	121	103.6 Å²	103.6	60%	0.596	58%	0.577	S	S	*	*			trans	-122	148	174.9	-64.5	-170.6	177.4	0	0	109.2	G793 Q794	M789-G793 VanDerWaalsContact SD-O 3.41Å; M789-Q794 CarbonylContact C-O 3.56Å; M789-Q794 VanDerWaalsContact CA-O 3.32Å; M789-Q794 WeakPolarHBondContact CA-O 3.5Å
790	D	36.6	Very low	34.2	Very low	54 Å²	54	103.3 Å²	103.3	29%	0.289	56%	0.564	S	S	.	*			trans	-70	178.3	173.5	72.3	5.6	0	0	0	111.9	N792 G793 Q794	D790-N792 PolarHBondContact O-N 2.95Å; D790-N792 VanDerWaalsContact OD1-CA 3.26Å; D790-N792 WeakPolarHBondContact OD1-CA 3.35Å; D790-N792 PolarHBondContact OD1-N 2.85Å; D790-G793 PolarHBondContact O-N 3.29Å; D790-G793 PolarHBondContact OD1-N 3.18Å; D790-Q794 PolarHBondContact N-O 2.78Å; D790-Q794 PolarHBondContact OD1-N 3.34Å
791	E	39	Very low	33.2	Very low	189 Å²	189	104.5 Å²	104.5	88%	0.883	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-14.6	177.3	-67.6	-175.5	168	0	0	113.6
792	N	38.7	Very low	32.4	Very low	150 Å²	150	107.7 Å²	107.7	80%	0.802	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	10.8	177.7	-66.4	-41.3	0	0	0	113.4	D790	D790-N792 PolarHBondContact O-N 2.95Å; D790-N792 VanDerWaalsContact OD1-CA 3.26Å; D790-N792 WeakPolarHBondContact OD1-CA 3.35Å; D790-N792 PolarHBondContact OD1-N 2.85Å
793	G	34	Very low	32.1	Very low	42 Å²	42	109.2 Å²	109.2	43%	0.433	59%	0.59	S	S	.	*	S	Bend	trans	83.9	18.9	175.9	0	0	0	0	0	116.7	M789 D790	M789-G793 VanDerWaalsContact SD-O 3.41Å; D790-G793 PolarHBondContact O-N 3.29Å; D790-G793 PolarHBondContact OD1-N 3.18Å
794	Q	31.8	Very low	32.1	Very low	135 Å²	135	115.7 Å²	115.7	63%	0.631	61%	0.605	S	S	*	*			trans	-108.1	142.8	177.8	-62.4	-143.8	-5.5	0	0	114.5	M789 D790 E796	M789-Q794 CarbonylContact C-O 3.56Å; M789-Q794 VanDerWaalsContact CA-O 3.32Å; M789-Q794 WeakPolarHBondContact CA-O 3.5Å; D790-Q794 PolarHBondContact N-O 2.78Å; D790-Q794 PolarHBondContact OD1-N 3.34Å; Q794-E796 PolarHBondContact O-N 3.09Å
795	K	32.7	Very low	32.1	Very low	147 Å²	147	119.6 Å²	119.6	64%	0.639	61%	0.605	S	S	*	*			trans	-67.1	108.2	175.1	-67.1	-171.4	-178.9	-161.2	0	110.1	D787	D787-K795 IonicContact OD2-NZ 3.71Å; D787-K795 PolarHBondContact OD2-NZ 3.13Å
796	E	36.2	Very low	32.1	Very low	94 Å²	94	116.6 Å²	116.6	44%	0.439	60%	0.601	S	S	.	*			trans	-116.9	130.4	173.5	-93.4	-153.1	163.5	0	0	113.2	R759 Q794	R759-E796 IonicContact CZ-OE2 2.83Å; R759-E796 IonicContact NH1-OE2 2.74Å; R759-E796 PolarHBondContact NH1-OE2 3.47Å; R759-E796 IonicContact NH2-OE2 3.81Å; R759-E796 PolarHBondContact NH2-OE2 2.01Å; Q794-E796 PolarHBondContact O-N 3.09Å
797	N	39.1	Very low	32.2	Very low	79 Å²	79	119.3 Å²	119.3	42%	0.422	60%	0.602	S	S	.	*			trans	-80.8	132.1	154.9	-79.4	-24.4	0	0	0	107.4	R759 G799 S800	R759-N797 PolarHBondContact NH2-O 3.44Å; R759-N797 VanDerWaalsContact NH2-O 3.11Å; N797-G799 PolarHBondContact O-N 3.47Å; N797-S800 PolarHBondContact O-N 3.22Å; N797-S800 VanDerWaalsContact O-N 3.15Å; N797-S800 PolarHBondContact O-OG 3Å
798	I	42	Very low	32.2	Very low	13 Å²	13	124.3 Å²	124.3	7%	0.067	61%	0.614	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60	-22	176.9	-59.6	175.5	0	0	0	110.7	T755 R759 C775	T755-I798 HydrophobicContact CG2-CD1 4.19Å; R759-I798 HydrophobicContact CB-CG2 3.89Å; R759-I798 HydrophobicContact CG-CG2 3.59Å; R759-I798 PolarHBondContact NE-O 3.4Å; R759-I798 PolarHBondContact NH2-O 3.21Å; C775-I798 HydrophobicContact CB-CD1 4.16Å
799	G	36.4	Very low	32.3	Very low	40 Å²	40	128.4 Å²	128.4	41%	0.412	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	-2.7	177.3	0	0	0	0	0	118.2	N797 S801	N797-G799 PolarHBondContact O-N 3.47Å; G799-S801 PolarHBondContact O-N 3.31Å
800	S	32.6	Very low	32.3	Very low	64 Å²	64	128.4 Å²	128.4	45%	0.448	64%	0.642	S	S	.	*	S	Bend	trans	-77	97.4	-172.9	58.1	0	0	0	0	113.6	N797	N797-S800 PolarHBondContact O-N 3.22Å; N797-S800 VanDerWaalsContact O-N 3.15Å; N797-S800 PolarHBondContact O-OG 3Å
801	S	27.7	Very low	32.2	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	65%	0.649	S	S	*	*			trans	16.2	101	161.2	76.9	0	0	0	0	117.9	G799 R803	G799-S801 PolarHBondContact O-N 3.31Å; S801-R803 PolarHBondContact O-N 3.3Å
802	L	30.7	Very low	32.1	Very low	178 Å²	178	125 Å²	125	93%	0.932	64%	0.639	S	S	*	*			trans	-69.3	106.2	145.2	-88.1	155.7	0	0	0	107.1	Q804	L802-Q804 PolarHBondContact O-N 3.26Å
803	R	26.9	Very low	32.2	Very low	229 Å²	229	122.6 Å²	122.6	86%	0.864	63%	0.629	S	S	*	*			trans	-45.1	124.1	166.1	-78.9	-178.9	173.7	-177.9	-1.5	109.2	S801 R805	S801-R803 PolarHBondContact O-N 3.3Å; R803-R805 PolarHBondContact O-N 3.45Å
804	Q	27	Very low	32.4	Very low	194 Å²	194	122.4 Å²	122.4	91%	0.907	62%	0.624	S	S	*	*			trans	9.8	82.9	159.1	-74.7	175.4	-29.2	0	0	114.5	L802	L802-Q804 PolarHBondContact O-N 3.26Å
805	R	24.6	Very low	32.6	Very low	212 Å²	212	122.5 Å²	122.5	80%	0.8	62%	0.622	S	S	*	*			trans	-114.6	107.5	145.3	-83.6	-171.9	174.4	-177.4	-0.5	106	R803 Y807	R803-R805 PolarHBondContact O-N 3.45Å; R805-Y807 HydrophobicContact CB-CE2 4.41Å; R805-Y807 WeakPolarHBondContact O-CD2 3.06Å; R805-Y807 PolarHBondContact O-N 2.9Å
806	S	25	Very low	33	Very low	106 Å²	106	120.9 Å²	120.9	74%	0.741	62%	0.62	S	S	*	*			trans	-55.4	95.4	177.8	-49.5	0	0	0	0	109.7
807	Y	28.1	Very low	32.9	Very low	199 Å²	199	120.8 Å²	120.8	78%	0.78	63%	0.625	S	S	*	*			trans	-85.4	109	159.2	-75.6	-80.2	0	0	0	106.3	R805 V809	R805-Y807 HydrophobicContact CB-CE2 4.41Å; R805-Y807 WeakPolarHBondContact O-CD2 3.06Å; R805-Y807 PolarHBondContact O-N 2.9Å; Y807-V809 PolarHBondContact O-N 3.34Å
808	Y	28	Very low	32.8	Very low	213 Å²	213	122.8 Å²	122.8	84%	0.835	64%	0.635	S	S	*	*			trans	-58.8	109.7	170.9	-81.1	-89.7	0	0	0	108.2	I810	Y808-I810 PolarHBondContact O-N 3.32Å
809	V	32.5	Very low	32.9	Very low	136 Å²	136	128.1 Å²	128.1	82%	0.824	66%	0.662	S	S	*	*			trans	-68.6	99.7	171	178.7	0	0	0	0	106.8	Y807 S811	Y807-V809 PolarHBondContact O-N 3.34Å; V809-S811 VanDerWaalsContact C-N 3.34Å; V809-S811 PolarHBondContact O-N 3.23Å
810	I	27.9	Very low	33.1	Very low	120 Å²	120	130 Å²	130	62%	0.615	67%	0.67	S	S	*	*			trans	-72	98.7	165.8	-61	176.1	0	0	0	105.6	Y808 A814	Y808-I810 PolarHBondContact O-N 3.32Å; I810-A814 HydrophobicContact CG2-CB 3.58Å
811	S	35.1	Very low	33.4	Very low	64 Å²	64	131.7 Å²	131.7	45%	0.448	68%	0.68	S	S	.	*			trans	-47.1	139.9	173.4	170.9	0	0	0	0	110.8	V809 T813 A814	V809-S811 VanDerWaalsContact C-N 3.34Å; V809-S811 PolarHBondContact O-N 3.23Å; S811-T813 PolarHBondContact O-N 3.15Å; S811-T813 PolarHBondContact OG-N 2.03Å; S811-T813 PolarHBondContact OG-OG1 2.88Å; S811-A814 WeakPolarHBondContact O-CB 3.38Å; S811-A814 PolarHBondContact O-N 2.65Å
812	V	38.2	Very low	34	Very low	109 Å²	109	137.8 Å²	137.8	66%	0.661	69%	0.687	S	S	*	*	H	α-helix	trans	-52.1	-26.3	178.5	174.9	0	0	0	0	112.5	A814 F815 I816	V812-A814 VanDerWaalsContact C-N 3.29Å; V812-A814 PolarHBondContact O-N 2.92Å; V812-F815 WeakPolarHBondContact O-CB 3.41Å; V812-F815 PolarHBondContact O-N 2.86Å; V812-F815 VanDerWaalsContact O-N 3.09Å; V812-I816 HydrophobicContact CG1-CD1 4.46Å; V812-I816 PolarHBondContact O-N 3.35Å
813	T	40.4	Very low	34.3	Very low	99 Å²	99	135 Å²	135	61%	0.607	68%	0.678	S	S	*	*	H	α-helix	trans	-60.9	-33.1	171.6	39.1	0	0	0	0	113.6	S811 V817	S811-T813 PolarHBondContact O-N 3.15Å; S811-T813 PolarHBondContact OG-N 2.03Å; S811-T813 PolarHBondContact OG-OG1 2.88Å; T813-V817 WeakPolarHBondContact O-CG2 3.43Å; T813-V817 PolarHBondContact O-N 3.48Å
814	A	37	Very low	34.7	Very low	38 Å²	38	137.2 Å²	137.2	31%	0.314	70%	0.695	S	S	.	*	H	α-helix	trans	-73.8	-27.4	173.9	0	0	0	0	0	112.5	I810 S811 V812 L818	I810-A814 HydrophobicContact CG2-CB 3.58Å; S811-A814 WeakPolarHBondContact O-CB 3.38Å; S811-A814 PolarHBondContact O-N 2.65Å; V812-A814 VanDerWaalsContact C-N 3.29Å; V812-A814 PolarHBondContact O-N 2.92Å; A814-L818 WeakPolarHBondContact O-CD1 3.46Å; A814-L818 WeakPolarHBondContact O-CG 3.25Å; A814-L818 PolarHBondContact O-N 2.95Å; A814-L818 VanDerWaalsContact O-N 3.13Å
815	F	35.7	Very low	35.1	Very low	136 Å²	136	134.4 Å²	134.4	60%	0.596	68%	0.684	S	S	*	*	H	α-helix	trans	-73.3	-33.9	177.7	-141.5	-92	0	0	0	112.1	V812 L818 I819	V812-F815 WeakPolarHBondContact O-CB 3.41Å; V812-F815 PolarHBondContact O-N 2.86Å; V812-F815 VanDerWaalsContact O-N 3.09Å; F815-L818 PolarHBondContact O-N 3.07Å; F815-I819 HydrophobicContact CD1-CD1 4.17Å; F815-I819 HydrophobicContact CE1-CD1 4.39Å; F815-I819 WeakPolarHBondContact O-CG1 3.4Å; F815-I819 PolarHBondContact O-N 2.75Å
816	I	41.5	Very low	35.6	Very low	114 Å²	114	130.3 Å²	130.3	59%	0.585	68%	0.678	S	S	*	*	H	α-helix	trans	-73.1	-35.1	175.6	-63.2	174.5	0	0	0	111.4	V812 L818 I819 S820	V812-I816 HydrophobicContact CG1-CD1 4.46Å; V812-I816 PolarHBondContact O-N 3.35Å; I816-L818 VanDerWaalsContact C-N 3.35Å; I816-I819 PolarHBondContact O-N 2.91Å; I816-S820 PolarHBondContact O-N 2.66Å; I816-S820 PolarHBondContact O-OG 3.42Å
817	V	35.5	Very low	36.2	Very low	92 Å²	92	131.7 Å²	131.7	56%	0.558	67%	0.674	S	S	*	*	H	α-helix	trans	-67.6	-35.3	174.7	174.2	0	0	0	0	111.5	T813 I819 S820 C821	T813-V817 WeakPolarHBondContact O-CG2 3.43Å; T813-V817 PolarHBondContact O-N 3.48Å; V817-I819 VanDerWaalsContact C-N 3.33Å; V817-I819 PolarHBondContact O-N 3.29Å; V817-S820 PolarHBondContact O-N 3.36Å; V817-S820 PolarHBondContact O-OG 3.38Å; V817-C821 PolarHBondContact O-N 3.05Å
818	L	36.9	Very low	36.7	Very low	121 Å²	121	127.7 Å²	127.7	63%	0.634	67%	0.668	S	S	*	*	H	α-helix	trans	-69.9	-25.4	178.2	-79.1	163.7	0	0	0	114	A814 F815 I816	A814-L818 WeakPolarHBondContact O-CD1 3.46Å; A814-L818 WeakPolarHBondContact O-CG 3.25Å; A814-L818 PolarHBondContact O-N 2.95Å; A814-L818 VanDerWaalsContact O-N 3.13Å; F815-L818 PolarHBondContact O-N 3.07Å; I816-L818 VanDerWaalsContact C-N 3.35Å
819	I	43.6	Very low	37.3	Very low	124 Å²	124	122.4 Å²	122.4	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-83.1	-28.3	178.4	-64.7	171.4	0	0	0	111.7	F815 I816 V817	F815-I819 HydrophobicContact CD1-CD1 4.17Å; F815-I819 HydrophobicContact CE1-CD1 4.39Å; F815-I819 WeakPolarHBondContact O-CG1 3.4Å; F815-I819 PolarHBondContact O-N 2.75Å; I816-I819 PolarHBondContact O-N 2.91Å; V817-I819 VanDerWaalsContact C-N 3.33Å; V817-I819 PolarHBondContact O-N 3.29Å
820	S	41.4	Very low	37.6	Very low	81 Å²	81	121.5 Å²	121.5	57%	0.566	65%	0.647	S	S	*	*	H	α-helix	trans	-86.2	-8.2	-178.5	40.1	0	0	0	0	114.8	I816 V817	I816-S820 PolarHBondContact O-N 2.66Å; I816-S820 PolarHBondContact O-OG 3.42Å; V817-S820 PolarHBondContact O-N 3.36Å; V817-S820 PolarHBondContact O-OG 3.38Å
821	C	37.1	Very low	38.3	Very low	99 Å²	99	121.6 Å²	121.6	67%	0.669	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	24	175.6	-81.3	0	0	0	0	114.8	V817	V817-C821 PolarHBondContact O-N 3.05Å
822	R	41.5	Very low	38.5	Very low	229 Å²	229	126 Å²	126	86%	0.864	66%	0.664	S	S	*	*	S	Bend	trans	-98.5	12	171.1	-104.6	-172.8	-180	-168.4	1	115.5
823	T	36.7	Very low	38.5	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	67%	0.665	S	S	*	*			trans	-138.7	71.5	170.5	47.2	0	0	0	0	110.7
824	F	35.4	Very low	38.4	Very low	276 Å²	276	130 Å²	130	100%	1.211	67%	0.67	S	S	*	*			trans	-169.7	0	148.8	-106.1	-76.3	0	0	0	106.7

Retrieved 824 of 824 residues in 939.3 ms (Link to these results)

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