A0A5K4F3V5_SCHMA Loading...

Zf-TFIIIC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3V5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 814 aa.

						>A0A5K4F3V5_SCHMA|A0A5K4F3V5
MNNPTISPITSVVLSVKGHICTTGGCVGSSEDKIAISTTEKLYILSFSLSHHDDRPKKIAIAQEVDFITRGFLRIELDNDCMLKGSEVDHEIKFSLKENVNRSILFPHLQINRDILKLKNGARLVSWSPRGVDKYERCIMSLTTMENRTVLCTLKGTESWEESVDLALIWQQYYVEHGRVAQSRKVVVDSRPQFIFQPTECNNIPSLICKNIMDYFDAIEDVVVVYTSWCQIVRQPRIKSTHSMNLKTAPDINNNMSYYVIPVDPTQFVTESFSLCPVTFLAVLMKSGAFCIWMVSVPFSGVSSMSLLWVDYTYTVVRSDSIDKRPNYIKLYDLDNLNLLLVLGFTDGSVKGLVFPIEYSPTGILVLTVPYLFNLWTTPLYHVTILASAWSMSRRLLCIGYGRHLLLFHIAKEDLEICFQQQNQHQEQPSNLSTPCRGRDPLYLVKGQFVSQPNPILGYVTGIHLDNEQLLLTSVDGYLMRTSLDEVSECKLNWQVVWSSSNYDKSDVIHWEFHGLSVSTNGVYICFLEKPCNYLDNNRTRRSALLSPRVHFLSFWSNDSLQEIIFNPELPLNRKVDCLQELIQRWHLPDDKADNLSSNITDLRQICLEKIDFHQACLADSSFPHSWLNKPLKTLQIYRFILCMLNKDTDESIKSRAQLWMTSLDNFIQQRHLERCYRLFLKSSVQRQARDCLLVSQMATLTLNIFRPVSQILTNSPSTMTTETTVDATSTTIDSVSSCISNKNEDDTMIIDGALKNYICFVKDLPELAKSVHQLAVQLYVHRFKLSTDNIISQLQKCPICSENILFFVCSLLY
					

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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	31	Very low	36.7	Very low	243 Å²	243	131.9 Å²	131.9	100%	1.197	76%	0.756	S	S	*	*				0	125.4	0	-77.9	-175.4	179.7	0	0	108.7
2	N	32.5	Very low	37.1	Very low	164 Å²	164	129.8 Å²	129.8	88%	0.877	75%	0.747	S	S	*	*			trans	1.7	106.2	173.3	-63.1	-9.2	0	0	0	118.7
3	N	31	Very low	37.6	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	75%	0.748	S	S	*	*			trans	-144.7	101	146.9	-134.1	-5.4	0	0	0	108.7	T5	N3-T5 VanDerWaalsContact C-N 3.26Å; N3-T5 PolarHBondContact O-N 2.91Å
4	P	43	Very low	38.5	Very low	126 Å²	126	128.4 Å²	128.4	82%	0.818	74%	0.737	S	S	*	*			trans	-86.6	16	-175.1	34.4	-32.8	0	0	0	113.8
5	T	36.4	Very low	39.4	Very low	108 Å²	108	127.4 Å²	127.4	66%	0.663	74%	0.741	S	S	*	*			trans	-106	56.9	177.6	39.9	0	0	0	0	111.7	N3 S7	N3-T5 VanDerWaalsContact C-N 3.26Å; N3-T5 PolarHBondContact O-N 2.91Å; T5-S7 PolarHBondContact O-N 3.47Å; T5-S7 VanDerWaalsContact O-N 3.17Å
6	I	33.3	Very low	40.5	Very low	143 Å²	143	122.6 Å²	122.6	73%	0.733	71%	0.714	S	S	*	*			trans	-81.4	83.3	151.1	-55	175.5	0	0	0	105.6
7	S	34.5	Very low	41.7	Very low	91 Å²	91	127.6 Å²	127.6	64%	0.636	73%	0.725	S	S	*	*			trans	-51.2	127.7	154.8	34	0	0	0	0	106.8	T5 I9	T5-S7 PolarHBondContact O-N 3.47Å; T5-S7 VanDerWaalsContact O-N 3.17Å; S7-I9 PolarHBondContact O-N 3.39Å
8	P	40.6	Very low	43.1	Very low	94 Å²	94	121.8 Å²	121.8	61%	0.61	70%	0.698	S	S	*	*			trans	-60.2	113.8	178	25.6	-31.5	0	0	0	106.7	T10	P8-T10 PolarHBondContact O-N 3.41Å
9	I	40.3	Very low	44.6	Very low	148 Å²	148	121.2 Å²	121.2	76%	0.759	69%	0.688	S	S	*	*			trans	-43.5	126.9	-178.5	-65.9	160.5	0	0	0	108.2	S7 S11	S7-I9 PolarHBondContact O-N 3.39Å; I9-S11 PolarHBondContact O-N 3.28Å
10	T	40	Very low	45.9	Very low	112 Å²	112	115.7 Å²	115.7	69%	0.687	66%	0.656	S	S	*	*			trans	-19.7	115.4	167.2	44.6	0	0	0	0	112.1	P8 V12	P8-T10 PolarHBondContact O-N 3.41Å; T10-V12 PolarHBondContact O-N 2.93Å
11	S	41.7	Very low	47.3	Very low	87 Å²	87	111.3 Å²	111.3	61%	0.608	63%	0.633	S	S	*	*			trans	-61.3	102.1	167	53.3	0	0	0	0	107.7	I9 V13	I9-S11 PolarHBondContact O-N 3.28Å; S11-V13 PolarHBondContact O-N 3.05Å
12	V	41.3	Very low	49.1	Very low	107 Å²	107	100 Å²	100	65%	0.648	58%	0.578	S	S	*	*			trans	-75.8	111.1	170	-179.3	0	0	0	0	106.3	T10 L14	T10-V12 PolarHBondContact O-N 2.93Å; V12-L14 HydrophobicContact CG1-CD1 3.92Å; V12-L14 HydrophobicContact CG1-CG 3.95Å; V12-L14 PolarHBondContact O-N 3.19Å
13	V	42.9	Very low	50.4	Low	126 Å²	126	95.1 Å²	95.1	76%	0.764	55%	0.554	S	S	*	*			trans	-80	94.9	170.9	-178.9	0	0	0	0	107.2	S11	S11-V13 PolarHBondContact O-N 3.05Å
14	L	50.2	Low	51.6	Low	114 Å²	114	90.7 Å²	90.7	60%	0.597	54%	0.54	S	S	*	.			trans	-85.5	109.1	169.4	-87.4	143	0	0	0	108.7	V12 V16	V12-L14 HydrophobicContact CG1-CD1 3.92Å; V12-L14 HydrophobicContact CG1-CG 3.95Å; V12-L14 PolarHBondContact O-N 3.19Å; L14-V16 HydrophobicContact CB-CG2 4.21Å; L14-V16 PolarHBondContact O-N 3.22Å
15	S	51.7	Low	52.5	Low	113 Å²	113	86.7 Å²	86.7	79%	0.79	52%	0.522	S	S	*	.			trans	-74.8	88.8	171.1	-71.9	0	0	0	0	109.7	K17	S15-K17 PolarHBondContact O-N 3.25Å
16	V	58	Low	53.8	Low	51 Å²	51	82 Å²	82	31%	0.309	49%	0.493	S	S	.	.			trans	-86.6	107.5	176.6	-171.2	0	0	0	0	109.2	L14 I36 T38 Y43	L14-V16 HydrophobicContact CB-CG2 4.21Å; L14-V16 PolarHBondContact O-N 3.22Å; V16-I36 HydrophobicContact CB-CG2 4.29Å; V16-I36 HydrophobicContact CG1-CB 4.31Å; V16-I36 HydrophobicContact CG1-CG2 3.42Å; V16-I36 VanDerWaalsContact CG1-CG2 3.42Å; V16-T38 HydrophobicContact CG1-CG2 3.28Å; V16-Y43 HydrophobicContact CG1-CD2 4.18Å; V16-Y43 HydrophobicContact CG1-CE2 4.31Å; V16-Y43 HydrophobicContact CG2-CE2 4.48Å
17	K	60.3	Low	55.3	Low	207 Å²	207	75.6 Å²	75.6	90%	0.9	46%	0.461	S	S	*	.			trans	-89.9	100.2	167.2	-73.9	-174.2	179.8	179.5	0	108.3	S15	S15-K17 PolarHBondContact O-N 3.25Å
18	G	67.1	Low	56.6	Low	24 Å²	24	72.2 Å²	72.2	25%	0.247	44%	0.44	C	S	.	.			trans	-155.1	160.1	-177.5	0	0	0	0	0	111.9	S37	G18-S37 WeakPolarHBondContact CA-O 3.46Å
19	H	72.4	Confident	57.7	Low	110 Å²	110	68.5 Å²	68.5	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136	169.6	-74.8	-72.9	0	0	0	109.4	S37 I208	H19-S37 PolarHBondContact N-O 3.29Å; H19-S37 PolarHBondContact O-N 2.92Å; H19-I208 HydrophobicContact CB-CG2 3.87Å
20	I	69.5	Low	58.5	Low	10 Å²	10	65.3 Å²	65.3	5%	0.051	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	179	-60.3	178.4	0	0	0	108	I34 A35 I36 I208 C209 N211 I212 Y215	I20-I34 HydrophobicContact CG2-CG2 3.49Å; I20-I34 VanDerWaalsContact CG2-CG2 3.49Å; I20-A35 CarbonylContact C-O 3.54Å; I20-A35 WeakPolarHBondContact CA-O 3.44Å; I20-I36 HydrophobicContact CG1-CG1 4.4Å; I20-I208 CarbonylContact O-C 3.53Å; I20-I208 WeakPolarHBondContact O-CA 2.85Å; I20-C209 HydrophobicContact CB-CB 4.24Å; I20-C209 PolarHBondContact N-O 3.01Å; I20-C209 PolarHBondContact O-N 3.44Å; I20-N211 VanDerWaalsContact CD1-C 3.45Å; I20-I212 HydrophobicContact CD1-CB 3.6Å; I20-I212 HydrophobicContact CD1-CG1 4.07Å; I20-Y215 HydrophobicContact CG2-CD1 4.48Å; I20-Y215 HydrophobicContact CG2-CD2 4.06Å; I20-Y215 HydrophobicContact CG2-CG 3.91Å
21	C	75	Confident	59.4	Low	24 Å²	24	66.2 Å²	66.2	16%	0.162	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.3	177.6	58.7	0	0	0	0	113.4	A35 L207 I208	C21-A35 PolarHBondContact N-O 3.24Å; C21-A35 PolarHBondContact O-N 2.79Å; C21-A35 VanDerWaalsContact SG-CB 3.54Å; C21-L207 WeakPolarHBondContact CA-O 3.32Å; C21-L207 VanDerWaalsContact CB-O 3.26Å; C21-L207 WeakPolarHBondContact CB-O 3.47Å; C21-I208 HydrophobicContact CB-CG1 4.43Å
22	T	69.9	Low	60.2	Low	6 Å²	6	62.8 Å²	62.8	4%	0.037	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.5	167.9	171.8	0	0	0	0	110.2	V27 D32 S206 L207	T22-V27 HydrophobicContact CG2-CG2 3.95Å; T22-D32 WeakPolarHBondContact CB-OD1 3.42Å; T22-D32 PolarHBondContact OG1-OD1 3.16Å; T22-S206 PolarHBondContact O-OG 2.93Å; T22-L207 HydrophobicContact CG2-CB 4.04Å
23	T	59.9	Low	61.5	Low	61 Å²	61	62.6 Å²	62.6	37%	0.374	37%	0.369	S	S	.	.			trans	-102.5	7	-177.5	50.4	0	0	0	0	115.4	K33 A35	T23-K33 PolarHBondContact N-O 2.82Å; T23-K33 VanDerWaalsContact N-O 3.1Å; T23-K33 VanDerWaalsContact OG1-CB 3.3Å; T23-K33 WeakPolarHBondContact OG1-CB 3.29Å; T23-K33 PolarHBondContact OG1-O 2.78Å; T23-A35 HydrophobicContact CG2-CB 3.14Å
24	G	56.4	Low	62.7	Low	42 Å²	42	56.7 Å²	56.7	43%	0.433	33%	0.333	S	S	.	.	S	Bend	trans	141.6	147.8	175.8	0	0	0	0	0	112.5
25	G	61.6	Low	63.6	Low	42 Å²	42	51.3 Å²	51.3	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	93	-179.1	-172.1	0	0	0	0	0	112.9
26	C	63.9	Low	64.5	Low	9 Å²	9	47.1 Å²	47.1	6%	0.061	27%	0.273	C	S	.	.	S	Bend	trans	-76.9	137.7	175.8	-57	0	0	0	0	110.4	G28 S29 D32 Q171	C26-G28 PolarHBondContact O-N 3.32Å; C26-S29 VanDerWaalsContact O-CB 3.26Å; C26-S29 WeakPolarHBondContact O-CB 3.49Å; C26-S29 PolarHBondContact O-N 2.86Å; C26-S29 PolarHBondContact O-OG 2.81Å; C26-D32 WeakPolarHBondContact O-CB 3.29Å; C26-Q171 VanDerWaalsContact CB-OE1 3.3Å
27	V	63.3	Low	65	Low	10 Å²	10	47.4 Å²	47.4	6%	0.061	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	125.9	177.3	171.7	0	0	0	0	109.3	T22 D32 Q171 L207 I219 V222	T22-V27 HydrophobicContact CG2-CG2 3.95Å; V27-D32 WeakPolarHBondContact CA-OD2 3.02Å; V27-Q171 HydrophobicContact CG2-CG 4.22Å; V27-Q171 VanDerWaalsContact N-CD 3.33Å; V27-L207 HydrophobicContact CG2-CB 4.47Å; V27-L207 HydrophobicContact CG2-CD2 4.41Å; V27-I219 HydrophobicContact CG1-CG1 3.87Å; V27-V222 HydrophobicContact CB-CG2 3.89Å; V27-V222 HydrophobicContact CG1-CG2 3.67Å; V27-V222 VanDerWaalsContact O-CG2 3.31Å; V27-V222 WeakPolarHBondContact O-CG2 3.49Å
28	G	63.5	Low	65.4	Low	19 Å²	19	39.2 Å²	39.2	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	2.8	-179.5	0	0	0	0	0	116.3	C26 D32	C26-G28 PolarHBondContact O-N 3.32Å; G28-D32 PolarHBondContact N-OD2 3.11Å
29	S	62.5	Low	65.5	Low	16 Å²	16	45.1 Å²	45.1	11%	0.112	28%	0.276	C	S	.	.	S	Bend	trans	-73.4	165.7	171.9	69	0	0	0	0	112.5	C26 E31 D32	C26-S29 VanDerWaalsContact O-CB 3.26Å; C26-S29 WeakPolarHBondContact O-CB 3.49Å; C26-S29 PolarHBondContact O-N 2.86Å; C26-S29 PolarHBondContact O-OG 2.81Å; S29-E31 PolarHBondContact O-N 2.8Å; S29-D32 WeakPolarHBondContact O-CB 3.2Å; S29-D32 PolarHBondContact O-N 3.05Å; S29-D32 VanDerWaalsContact O-N 3.14Å; S29-D32 PolarHBondContact OG-N 3.43Å
30	S	57.9	Low	65.3	Low	82 Å²	82	47.6 Å²	47.6	57%	0.573	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.1	173.2	51.2	0	0	0	0	113.2	E146	S30-E146 PolarHBondContact OG-OE1 3.21Å
31	E	58.1	Low	65.3	Low	130 Å²	130	50.4 Å²	50.4	61%	0.607	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-14	178.2	-61.4	179.9	169.5	0	0	112.4	S29 K33	S29-E31 PolarHBondContact O-N 2.8Å; E31-K33 PolarHBondContact O-N 3.1Å
32	D	59.7	Low	64.9	Low	15 Å²	15	50.8 Å²	50.8	8%	0.08	30%	0.3	C	S	.	.			trans	-66.6	130.1	179.7	-168.2	18.5	0	0	0	110.6	T22 C26 V27 G28 S29 Y215	T22-D32 WeakPolarHBondContact CB-OD1 3.42Å; T22-D32 PolarHBondContact OG1-OD1 3.16Å; C26-D32 WeakPolarHBondContact O-CB 3.29Å; V27-D32 WeakPolarHBondContact CA-OD2 3.02Å; G28-D32 PolarHBondContact N-OD2 3.11Å; S29-D32 WeakPolarHBondContact O-CB 3.2Å; S29-D32 PolarHBondContact O-N 3.05Å; S29-D32 VanDerWaalsContact O-N 3.14Å; S29-D32 PolarHBondContact OG-N 3.43Å; D32-Y215 PolarHBondContact OD2-OH 3.06Å
33	K	67.5	Low	64.8	Low	104 Å²	104	52.1 Å²	52.1	45%	0.452	31%	0.305	S	S	.	.			trans	-123.5	132.3	178.7	-68.1	178.4	-171	177.5	0	109	T23 E31 I44	T23-K33 PolarHBondContact N-O 2.82Å; T23-K33 VanDerWaalsContact N-O 3.1Å; T23-K33 VanDerWaalsContact OG1-CB 3.3Å; T23-K33 WeakPolarHBondContact OG1-CB 3.29Å; T23-K33 PolarHBondContact OG1-O 2.78Å; E31-K33 PolarHBondContact O-N 3.1Å; K33-I44 HydrophobicContact CB-CG2 3.86Å; K33-I44 HydrophobicContact CD-CG2 4Å; K33-I44 HydrophobicContact CG-CG2 4.36Å
34	I	67.6	Low	64.9	Low	2 Å²	2	50.7 Å²	50.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.3	177.3	-49.6	-177.4	0	0	0	108.3	I20 I36 I44 L45 F47 Y215	I20-I34 HydrophobicContact CG2-CG2 3.49Å; I20-I34 VanDerWaalsContact CG2-CG2 3.49Å; I34-I36 HydrophobicContact CG2-CG1 4.46Å; I34-I44 CarbonylContact O-C 3.58Å; I34-I44 WeakPolarHBondContact O-CA 3.27Å; I34-L45 HydrophobicContact CB-CB 3.81Å; I34-L45 HydrophobicContact CD1-CD2 3.96Å; I34-L45 HydrophobicContact CG1-CB 4.45Å; I34-L45 PolarHBondContact O-N 3.42Å; I34-F47 HydrophobicContact CD1-CE2 3.53Å; I34-F47 HydrophobicContact CD1-CZ 3.67Å; I34-F47 HydrophobicContact CG1-CE2 4.02Å; I34-Y215 HydrophobicContact CD1-CD1 3.9Å; I34-Y215 HydrophobicContact CD1-CE1 3.29Å; I34-Y215 HydrophobicContact CG1-CD1 4.36Å; I34-Y215 HydrophobicContact CG1-CE1 3.47Å; I34-Y215 VanDerWaalsContact CG1-CE1 3.47Å; I34-Y215 HydrophobicContact CG2-CE1 4.45Å
35	A	69.8	Low	65.2	Low	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.8	161	0	0	0	0	0	111.5	I20 C21 T23 L42 Y43	I20-A35 CarbonylContact C-O 3.54Å; I20-A35 WeakPolarHBondContact CA-O 3.44Å; C21-A35 PolarHBondContact N-O 3.24Å; C21-A35 PolarHBondContact O-N 2.79Å; C21-A35 VanDerWaalsContact SG-CB 3.54Å; T23-A35 HydrophobicContact CG2-CB 3.14Å; A35-L42 HydrophobicContact CB-CD1 3.67Å; A35-L42 HydrophobicContact CB-CG 4.38Å; A35-Y43 CarbonylContact C-O 3.53Å; A35-Y43 WeakPolarHBondContact CA-O 3.31Å
36	I	71	Confident	64.8	Low	25 Å²	25	50.2 Å²	50.2	13%	0.128	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	110.5	165.3	-47	176.2	0	0	0	106.5	V16 I20 I34 Y43	V16-I36 HydrophobicContact CB-CG2 4.29Å; V16-I36 HydrophobicContact CG1-CB 4.31Å; V16-I36 HydrophobicContact CG1-CG2 3.42Å; V16-I36 VanDerWaalsContact CG1-CG2 3.42Å; I20-I36 HydrophobicContact CG1-CG1 4.4Å; I34-I36 HydrophobicContact CG2-CG1 4.46Å; I36-Y43 PolarHBondContact N-O 3.47Å; I36-Y43 PolarHBondContact O-N 2.89Å
37	S	67.3	Low	64.2	Low	57 Å²	57	55.2 Å²	55.2	40%	0.399	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.6	179.1	-174.8	0	0	0	0	110	G18 H19	G18-S37 WeakPolarHBondContact CA-O 3.46Å; H19-S37 PolarHBondContact N-O 3.29Å; H19-S37 PolarHBondContact O-N 2.92Å
38	T	69.9	Low	63	Low	35 Å²	35	58.2 Å²	58.2	22%	0.215	32%	0.319	C	S	.	.			trans	-110.1	175	170.8	74.6	0	0	0	0	110.9	V16 E40 K41 Y43	V16-T38 HydrophobicContact CG1-CG2 3.28Å; T38-E40 PolarHBondContact O-N 3.08Å; T38-E40 PolarHBondContact OG1-N 3.07Å; T38-K41 PolarHBondContact N-O 2.94Å; T38-K41 PolarHBondContact OG1-N 3.42Å; T38-K41 PolarHBondContact OG1-O 3.4Å; T38-Y43 HydrophobicContact CG2-CD2 3.97Å; T38-Y43 HydrophobicContact CG2-CE2 3.69Å
39	T	68.8	Low	61.7	Low	148 Å²	148	64.2 Å²	64.2	91%	0.908	35%	0.345	S	S	*	.	S	Bend	trans	-59.1	-23.1	174	47.2	0	0	0	0	113.7
40	E	68.3	Low	60.2	Low	162 Å²	162	65.8 Å²	65.8	76%	0.757	36%	0.357	S	S	*	.	S	Bend	trans	-117.6	-30	-172.5	-64.6	177.7	-176.9	0	0	113.4	T38	T38-E40 PolarHBondContact O-N 3.08Å; T38-E40 PolarHBondContact OG1-N 3.07Å
41	K	69.9	Low	59.1	Low	69 Å²	69	69 Å²	69	30%	0.3	36%	0.362	S	S	.	.			trans	-146.1	151.8	-165	-65.2	178.1	175	-164	0	112.2	T38 Y43 E64	T38-K41 PolarHBondContact N-O 2.94Å; T38-K41 PolarHBondContact OG1-N 3.42Å; T38-K41 PolarHBondContact OG1-O 3.4Å; K41-Y43 HydrophobicContact CB-CD2 4.45Å; K41-Y43 HydrophobicContact CB-CE2 3.83Å; K41-E64 HydrophobicContact CD-CG 4.04Å; K41-E64 VanDerWaalsContact CD-OE1 3.23Å; K41-E64 WeakPolarHBondContact CD-OE1 3.48Å; K41-E64 WeakPolarHBondContact CE-OE1 3.29Å; K41-E64 IonicContact NZ-OE1 3.82Å; K41-E64 PolarHBondContact NZ-OE1 3.42Å; K41-E64 IonicContact NZ-OE2 3.25Å; K41-E64 PolarHBondContact NZ-OE2 3.49Å
42	L	66	Low	57.7	Low	33 Å²	33	70 Å²	70	17%	0.173	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.4	167.8	-174.5	68.6	0	0	0	109.3	A35 V65 F67	A35-L42 HydrophobicContact CB-CD1 3.67Å; A35-L42 HydrophobicContact CB-CG 4.38Å; L42-V65 PolarHBondContact O-N 3.24Å; L42-V65 VanDerWaalsContact O-N 3.09Å; L42-F67 HydrophobicContact CB-CE2 4.44Å; L42-F67 HydrophobicContact CD2-CE2 3.59Å; L42-F67 HydrophobicContact CD2-CZ 3.82Å
43	Y	67.2	Low	56.5	Low	33 Å²	33	76.2 Å²	76.2	13%	0.129	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.1	174.7	-63.2	-88.3	0	0	0	109.6	V16 A35 I36 T38 K41 A62 Q63 E64	V16-Y43 HydrophobicContact CG1-CD2 4.18Å; V16-Y43 HydrophobicContact CG1-CE2 4.31Å; V16-Y43 HydrophobicContact CG2-CE2 4.48Å; A35-Y43 CarbonylContact C-O 3.53Å; A35-Y43 WeakPolarHBondContact CA-O 3.31Å; I36-Y43 PolarHBondContact N-O 3.47Å; I36-Y43 PolarHBondContact O-N 2.89Å; T38-Y43 HydrophobicContact CG2-CD2 3.97Å; T38-Y43 HydrophobicContact CG2-CE2 3.69Å; K41-Y43 HydrophobicContact CB-CD2 4.45Å; K41-Y43 HydrophobicContact CB-CE2 3.83Å; Y43-A62 HydrophobicContact CD1-CB 4.48Å; Y43-Q63 WeakPolarHBondContact CA-O 3.29Å; Y43-E64 HydrophobicContact CE1-CB 4.39Å
44	I	63.3	Low	54.9	Low	31 Å²	31	78.5 Å²	78.5	16%	0.159	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.3	171.6	-56.2	-172	0	0	0	108.8	K33 I34 S46 Q63 V65	K33-I44 HydrophobicContact CB-CG2 3.86Å; K33-I44 HydrophobicContact CD-CG2 4Å; K33-I44 HydrophobicContact CG-CG2 4.36Å; I34-I44 CarbonylContact O-C 3.58Å; I34-I44 WeakPolarHBondContact O-CA 3.27Å; I44-S46 PolarHBondContact O-N 3.25Å; I44-Q63 PolarHBondContact N-O 3.41Å; I44-Q63 PolarHBondContact O-N 3.3Å; I44-V65 HydrophobicContact CB-CG2 4.2Å; I44-V65 HydrophobicContact CD1-CB 4.31Å; I44-V65 HydrophobicContact CD1-CG2 3.81Å; I44-V65 HydrophobicContact CG1-CB 4.41Å; I44-V65 HydrophobicContact CG1-CG2 3.87Å
45	L	62.6	Low	53.1	Low	24 Å²	24	86.8 Å²	86.8	13%	0.126	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.7	170.1	-142.4	95.5	0	0	0	108.5	I34 F47 A60 A62	I34-L45 HydrophobicContact CB-CB 3.81Å; I34-L45 HydrophobicContact CD1-CD2 3.96Å; I34-L45 HydrophobicContact CG1-CB 4.45Å; I34-L45 PolarHBondContact O-N 3.42Å; L45-F47 HydrophobicContact CD2-CE1 3.77Å; L45-F47 HydrophobicContact CD2-CE2 3.99Å; L45-F47 HydrophobicContact CD2-CZ 3.47Å; L45-F47 VanDerWaalsContact CD2-CZ 3.47Å; L45-A60 HydrophobicContact CD1-CB 4.17Å; L45-A60 HydrophobicContact CD2-CB 3.41Å; L45-A60 VanDerWaalsContact CD2-CB 3.41Å; L45-A60 HydrophobicContact CG-CB 3.7Å; L45-A62 HydrophobicContact CD1-CB 4.09Å
46	S	52.4	Low	51.5	Low	51 Å²	51	93.4 Å²	93.4	36%	0.357	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.1	170.4	-173.3	0	0	0	0	109.4	I44 S48 I61	I44-S46 PolarHBondContact O-N 3.25Å; S46-S48 PolarHBondContact O-N 3.35Å; S46-S48 VanDerWaalsContact O-N 3.11Å; S46-I61 PolarHBondContact N-O 2.73Å
47	F	51.5	Low	49.6	Very low	113 Å²	113	100.6 Å²	100.6	50%	0.496	52%	0.521	S	S	.	.			trans	-80.1	90	170.7	-62.4	-79.3	0	0	0	109.5	I34 L45 L49 A60	I34-F47 HydrophobicContact CD1-CE2 3.53Å; I34-F47 HydrophobicContact CD1-CZ 3.67Å; I34-F47 HydrophobicContact CG1-CE2 4.02Å; L45-F47 HydrophobicContact CD2-CE1 3.77Å; L45-F47 HydrophobicContact CD2-CE2 3.99Å; L45-F47 HydrophobicContact CD2-CZ 3.47Å; L45-F47 VanDerWaalsContact CD2-CZ 3.47Å; F47-L49 PolarHBondContact O-N 3.04Å; F47-A60 HydrophobicContact CD1-CB 3.98Å; F47-A60 HydrophobicContact CE1-CB 3.84Å
48	S	38.6	Very low	47.9	Very low	74 Å²	74	103.2 Å²	103.2	52%	0.517	53%	0.526	S	S	.	.			trans	-75.7	100.1	164	170.8	0	0	0	0	109.2	S46 S50	S46-S48 PolarHBondContact O-N 3.35Å; S46-S48 VanDerWaalsContact O-N 3.11Å; S48-S50 PolarHBondContact O-N 3.25Å; S48-S50 VanDerWaalsContact O-N 3.13Å; S48-S50 PolarHBondContact OG-N 3.49Å; S48-S50 PolarHBondContact OG-OG 3.41Å
49	L	35.6	Very low	46.1	Very low	144 Å²	144	107.2 Å²	107.2	75%	0.754	54%	0.544	S	S	*	.			trans	-81.4	53.7	165.1	-73.3	167.1	0	0	0	110.4	F47 H51	F47-L49 PolarHBondContact O-N 3.04Å; L49-H51 PolarHBondContact O-N 2.86Å
50	S	31.7	Very low	44.6	Very low	50 Å²	50	101.7 Å²	101.7	35%	0.35	51%	0.514	S	S	.	.			trans	-76.1	109	170.3	59.8	0	0	0	0	109.2	S48 H52 K58	S48-S50 PolarHBondContact O-N 3.25Å; S48-S50 VanDerWaalsContact O-N 3.13Å; S48-S50 PolarHBondContact OG-N 3.49Å; S48-S50 PolarHBondContact OG-OG 3.41Å; S50-H52 PolarHBondContact O-N 3.31Å; S50-K58 WeakPolarHBondContact O-CE 3.36Å; S50-K58 PolarHBondContact O-NZ 3.25Å
51	H	33.9	Very low	43.1	Very low	150 Å²	150	99.6 Å²	99.6	69%	0.694	51%	0.507	S	S	*	.			trans	-70.2	79.7	163.7	-90.4	36.9	0	0	0	108.9	L49	L49-H51 PolarHBondContact O-N 2.86Å
52	H	29.4	Very low	41.5	Very low	150 Å²	150	98.7 Å²	98.7	69%	0.694	51%	0.512	S	S	*	.			trans	-91.4	141.7	142.8	-80.4	-63.1	0	0	0	108.1	S50 K58	S50-H52 PolarHBondContact O-N 3.31Å; H52-K58 PolarHBondContact O-NZ 3.31Å
53	D	33.2	Very low	40.5	Very low	146 Å²	146	102.9 Å²	102.9	78%	0.781	53%	0.531	S	S	*	.	S	Bend	trans	-41.3	145.8	-172.2	-59.3	-56.5	0	0	0	113.8
54	D	34.2	Very low	39	Very low	152 Å²	152	105.5 Å²	105.5	81%	0.813	54%	0.544	S	S	*	.	S	Bend	trans	45.1	100.7	162.2	-74	-26.6	0	0	0	118
55	R	30.5	Very low	37.5	Very low	175 Å²	175	106.5 Å²	106.5	66%	0.66	55%	0.552	S	S	*	*				168.1	140	129.1	-89.5	157.1	-171.5	-164.3	4.5	110.6	K57	R55-K57 PolarHBondContact O-N 3.08Å
56	P	35.5	Very low	35.9	Very low	139 Å²	139	110.2 Å²	110.2	90%	0.903	57%	0.572	S	S	*	*	S	Bend	trans	-76.1	24.6	-179.7	32.2	-34.5	0	0	0	114.1
57	K	31.2	Very low	34.7	Very low	176 Å²	176	116.3 Å²	116.3	77%	0.765	59%	0.592	S	S	*	*			trans	-126.6	63.7	178.3	-71.6	-173.3	177.5	-178.3	0	111	R55 I59	R55-K57 PolarHBondContact O-N 3.08Å; K57-I59 PolarHBondContact O-N 3.28Å
58	K	33.1	Very low	33.4	Very low	113 Å²	113	117.6 Å²	117.6	49%	0.491	60%	0.603	S	S	.	*			trans	-84.2	90.8	158.2	-79.4	179.7	-178.1	138.6	0	107.8	S50 H52	S50-K58 WeakPolarHBondContact O-CE 3.36Å; S50-K58 PolarHBondContact O-NZ 3.25Å; H52-K58 PolarHBondContact O-NZ 3.31Å
59	I	31.8	Very low	32.8	Very low	118 Å²	118	120 Å²	120	61%	0.605	62%	0.615	S	S	*	*			trans	-69.6	129.8	165.9	-60.9	171.9	0	0	0	105.9	K57 I61	K57-I59 PolarHBondContact O-N 3.28Å; I59-I61 PolarHBondContact O-N 3.09Å
60	A	37.3	Very low	32.3	Very low	33 Å²	33	124.1 Å²	124.1	27%	0.273	62%	0.62	S	S	.	*			trans	-58	127.1	172.6	0	0	0	0	0	109	L45 F47 A62	L45-A60 HydrophobicContact CD1-CB 4.17Å; L45-A60 HydrophobicContact CD2-CB 3.41Å; L45-A60 VanDerWaalsContact CD2-CB 3.41Å; L45-A60 HydrophobicContact CG-CB 3.7Å; F47-A60 HydrophobicContact CD1-CB 3.98Å; F47-A60 HydrophobicContact CE1-CB 3.84Å; A60-A62 PolarHBondContact O-N 3.01Å
61	I	37.2	Very low	31.9	Very low	117 Å²	117	125.5 Å²	125.5	60%	0.6	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.3	115.4	180	-58	172.6	0	0	0	106.7	S46 I59 Q63	S46-I61 PolarHBondContact N-O 2.73Å; I59-I61 PolarHBondContact O-N 3.09Å; I61-Q63 HydrophobicContact CG2-CG 4.42Å; I61-Q63 PolarHBondContact O-N 2.93Å
62	A	35.9	Very low	31.4	Very low	51 Å²	51	127.5 Å²	127.5	42%	0.421	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.5	113.2	165.9	0	0	0	0	0	107.7	Y43 L45 A60	Y43-A62 HydrophobicContact CD1-CB 4.48Å; L45-A62 HydrophobicContact CD1-CB 4.09Å; A60-A62 PolarHBondContact O-N 3.01Å
63	Q	45.1	Very low	31.1	Very low	121 Å²	121	127.6 Å²	127.6	57%	0.565	65%	0.654	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.3	130.6	167.7	-75.1	-178.8	-17	0	0	108.6	Y43 I44 I61 V65	Y43-Q63 WeakPolarHBondContact CA-O 3.29Å; I44-Q63 PolarHBondContact N-O 3.41Å; I44-Q63 PolarHBondContact O-N 3.3Å; I61-Q63 HydrophobicContact CG2-CG 4.42Å; I61-Q63 PolarHBondContact O-N 2.93Å; Q63-V65 PolarHBondContact O-N 2.96Å
64	E	36.1	Very low	30.6	Very low	87 Å²	87	130.6 Å²	130.6	41%	0.407	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.5	120.2	165.3	-176.1	176.8	160.3	0	0	107.9	K41 Y43	K41-E64 HydrophobicContact CD-CG 4.04Å; K41-E64 VanDerWaalsContact CD-OE1 3.23Å; K41-E64 WeakPolarHBondContact CD-OE1 3.48Å; K41-E64 WeakPolarHBondContact CE-OE1 3.29Å; K41-E64 IonicContact NZ-OE1 3.82Å; K41-E64 PolarHBondContact NZ-OE1 3.42Å; K41-E64 IonicContact NZ-OE2 3.25Å; K41-E64 PolarHBondContact NZ-OE2 3.49Å; Y43-E64 HydrophobicContact CE1-CB 4.39Å
65	V	31.7	Very low	30.2	Very low	52 Å²	52	129.3 Å²	129.3	32%	0.315	65%	0.646	S	S	.	*			trans	-110.4	99.4	174	-178.5	0	0	0	0	108	L42 I44 Q63	L42-V65 PolarHBondContact O-N 3.24Å; L42-V65 VanDerWaalsContact O-N 3.09Å; I44-V65 HydrophobicContact CB-CG2 4.2Å; I44-V65 HydrophobicContact CD1-CB 4.31Å; I44-V65 HydrophobicContact CD1-CG2 3.81Å; I44-V65 HydrophobicContact CG1-CB 4.41Å; I44-V65 HydrophobicContact CG1-CG2 3.87Å; Q63-V65 PolarHBondContact O-N 2.96Å
66	D	28.9	Very low	29.8	Very low	102 Å²	102	128.3 Å²	128.3	55%	0.545	65%	0.649	S	S	.	*			trans	-70	128.5	160	-74.7	-33	0	0	0	108	I68	D66-I68 HydrophobicContact CB-CG1 4.39Å; D66-I68 PolarHBondContact O-N 3.5Å
67	F	25.8	Very low	29.4	Very low	179 Å²	179	128.8 Å²	128.8	79%	0.785	64%	0.643	S	S	*	*			trans	-68.3	77.9	172.4	-79.6	-88.6	0	0	0	109.9	L42	L42-F67 HydrophobicContact CB-CE2 4.44Å; L42-F67 HydrophobicContact CD2-CE2 3.59Å; L42-F67 HydrophobicContact CD2-CZ 3.82Å
68	I	25.5	Very low	29.2	Very low	140 Å²	140	128.3 Å²	128.3	72%	0.718	65%	0.649	S	S	*	*			trans	-105	110.2	160.6	-54.1	179.5	0	0	0	105.7	D66	D66-I68 HydrophobicContact CB-CG1 4.39Å; D66-I68 PolarHBondContact O-N 3.5Å
69	T	25.8	Very low	28.9	Very low	125 Å²	125	129.8 Å²	129.8	77%	0.767	66%	0.662	S	S	*	*			trans	-1.6	124.7	171	48.8	0	0	0	0	117.3	G71	T69-G71 PolarHBondContact O-N 2.91Å; T69-G71 VanDerWaalsContact O-N 3.08Å
70	R	24.1	Very low	28.7	Very low	231 Å²	231	131.7 Å²	131.7	87%	0.872	67%	0.673	S	S	*	*			trans	-21.9	103.1	171.3	-74.1	-179.9	174.1	173.9	-1.9	113.9
71	G	24	Very low	28.3	Very low	78 Å²	78	136 Å²	136	80%	0.804	70%	0.7	S	S	*	*			trans	-75.2	126.9	162.2	0	0	0	0	0	110.2	T69	T69-G71 PolarHBondContact O-N 2.91Å; T69-G71 VanDerWaalsContact O-N 3.08Å
72	F	23.1	Very low	27.7	Very low	193 Å²	193	139.1 Å²	139.1	85%	0.846	72%	0.715	S	S	*	*			trans	-85.8	122.9	168.7	-70.3	-92.5	0	0	0	108.9
73	L	23.6	Very low	27.5	Very low	152 Å²	152	144.9 Å²	144.9	80%	0.796	74%	0.737	S	S	*	*			trans	-88.8	109.5	167.9	-159.3	89	0	0	0	108.1	I75	L73-I75 HydrophobicContact CD2-CD1 4.29Å; L73-I75 HydrophobicContact CD2-CG1 3.95Å; L73-I75 PolarHBondContact O-N 3.43Å
74	R	22.3	Very low	26.6	Very low	209 Å²	209	149.2 Å²	149.2	79%	0.789	75%	0.754	S	S	*	*			trans	-77.6	108.5	171	-164.8	-178.5	-170.8	-164.9	-0	107.6	E76	R74-E76 IonicContact CZ-OE1 3.9Å; R74-E76 IonicContact NH1-OE1 2.88Å
75	I	25.3	Very low	26.2	Very low	125 Å²	125	148.5 Å²	148.5	64%	0.641	77%	0.77	S	S	*	*			trans	-92.1	105.6	169.6	-57.7	175.9	0	0	0	106.3	L73 L77	L73-I75 HydrophobicContact CD2-CD1 4.29Å; L73-I75 HydrophobicContact CD2-CG1 3.95Å; L73-I75 PolarHBondContact O-N 3.43Å; I75-L77 HydrophobicContact CG2-CD2 4.34Å; I75-L77 HydrophobicContact CG2-CG 4.37Å; I75-L77 PolarHBondContact O-N 3.27Å
76	E	22.7	Very low	26.1	Very low	153 Å²	153	151.5 Å²	151.5	72%	0.715	79%	0.793	S	S	*	*			trans	-76.2	114	162.8	-76.1	177.8	171.5	0	0	107	R74	R74-E76 IonicContact CZ-OE1 3.9Å; R74-E76 IonicContact NH1-OE1 2.88Å
77	L	27.3	Very low	26.1	Very low	149 Å²	149	156 Å²	156	78%	0.78	81%	0.811	S	S	*	*			trans	-82.1	124.3	171.7	-74.2	166.1	0	0	0	107.6	I75 N79	I75-L77 HydrophobicContact CG2-CD2 4.34Å; I75-L77 HydrophobicContact CG2-CG 4.37Å; I75-L77 PolarHBondContact O-N 3.27Å; L77-N79 PolarHBondContact O-N 2.93Å
78	D	27.1	Very low	26.5	Very low	167 Å²	167	152.8 Å²	152.8	89%	0.893	81%	0.806	S	S	*	*			trans	-56.8	125.3	174.1	-130.3	-16	0	0	0	109.1	D80	D78-D80 PolarHBondContact O-N 3.44Å
79	N	26.7	Very low	26.9	Very low	144 Å²	144	151.7 Å²	151.7	77%	0.77	80%	0.802	S	S	*	*			trans	-70.4	107.1	171.6	-72	-46.5	0	0	0	106.8	L77	L77-N79 PolarHBondContact O-N 2.93Å
80	D	28	Very low	27.4	Very low	157 Å²	157	152.6 Å²	152.6	84%	0.84	80%	0.797	S	S	*	*			trans	-166.3	139.8	144.2	-94.3	-28.8	0	0	0	114.3	D78	D78-D80 PolarHBondContact O-N 3.44Å
81	C	27.7	Very low	28	Very low	123 Å²	123	148.9 Å²	148.9	83%	0.831	79%	0.789	S	S	*	*			trans	74.4	70.9	167.9	-67.2	0	0	0	0	118.8
82	M	25	Very low	28.5	Very low	184 Å²	184	150 Å²	150	91%	0.906	78%	0.776	S	S	*	*			trans	-81.7	115	146.4	-76.6	-82.3	-70.5	0	0	109.6
83	L	31.2	Very low	29	Very low	171 Å²	171	148.5 Å²	148.5	90%	0.895	77%	0.769	S	S	*	*			trans	-92.6	117.3	162.8	-86.6	162.4	0	0	0	109.4
84	K	25.7	Very low	29.4	Very low	213 Å²	213	149.9 Å²	149.9	93%	0.926	77%	0.769	S	S	*	*			trans	-62.3	136	175.9	-78.9	178	171.4	-178.8	0	111.4
85	G	27.8	Very low	30	Very low	71 Å²	71	145.1 Å²	145.1	73%	0.732	77%	0.767	S	S	*	*			trans	-137.6	100	160.5	0	0	0	0	0	109.6
86	S	30.2	Very low	30.4	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	77%	0.773	S	S	*	*			trans	27.3	125.9	165	56.2	0	0	0	0	121.8
87	E	29.9	Very low	30.7	Very low	196 Å²	196	147.6 Å²	147.6	92%	0.916	78%	0.778	S	S	*	*			trans	-57	143.5	168.4	-68.4	169.1	148.5	0	0	113.2
88	V	33.8	Very low	30.5	Very low	113 Å²	113	148.7 Å²	148.7	69%	0.685	78%	0.779	S	S	*	*			trans	-115.7	134.3	162.4	179.1	0	0	0	0	107.7	I92	V88-I92 HydrophobicContact CG1-CD1 3.64Å
89	D	33	Very low	30.4	Very low	117 Å²	117	146.9 Å²	146.9	63%	0.626	77%	0.769	S	S	*	*			trans	-62.5	150.2	-160.5	-144.9	-26.5	0	0	0	115.3	E91 I92	D89-E91 PolarHBondContact O-N 2.9Å; D89-I92 PolarHBondContact O-N 3.44Å
90	H	37.5	Very low	30.3	Very low	143 Å²	143	144.4 Å²	144.4	66%	0.662	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-12.6	-175.5	-88	31.1	0	0	0	114.3	I92 K93	H90-I92 PolarHBondContact O-N 2.84Å; H90-K93 PolarHBondContact O-N 3.33Å
91	E	36.1	Very low	30.2	Very low	154 Å²	154	142.4 Å²	142.4	72%	0.72	75%	0.748	S	S	*	*	H	α-helix	trans	-65.8	-24.9	170.5	-84.2	-173.3	149.1	0	0	113	D89	D89-E91 PolarHBondContact O-N 2.9Å
92	I	34.7	Very low	29.9	Very low	102 Å²	102	142.9 Å²	142.9	52%	0.523	73%	0.732	S	S	.	*	H	α-helix	trans	-79.4	-21.8	-176.7	-56.2	-169.5	0	0	0	112.2	V88 D89 H90	V88-I92 HydrophobicContact CG1-CD1 3.64Å; D89-I92 PolarHBondContact O-N 3.44Å; H90-I92 PolarHBondContact O-N 2.84Å
93	K	34.3	Very low	30	Very low	160 Å²	160	139.1 Å²	139.1	70%	0.696	72%	0.724	S	S	*	*	H	α-helix	trans	-77.3	-23	178	-89.4	-179.6	177.7	173.4	0	114	H90	H90-K93 PolarHBondContact O-N 3.33Å
94	F	31.4	Very low	29.6	Very low	181 Å²	181	135.2 Å²	135.2	79%	0.794	70%	0.703	S	S	*	*	H	α-helix	trans	-94.1	-25.3	-174.2	-109	-84.3	0	0	0	114	L96	F94-L96 PolarHBondContact O-N 3.49Å
95	S	35.7	Very low	29.6	Very low	109 Å²	109	127.4 Å²	127.4	76%	0.762	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-2.9	177.6	-53.3	0	0	0	0	113.9	K97	S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 2.99Å
96	L	32.8	Very low	29.6	Very low	146 Å²	146	129.5 Å²	129.5	76%	0.764	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	13.4	179.6	-93.2	161.8	0	0	0	114.4	F94	F94-L96 PolarHBondContact O-N 3.49Å
97	K	27.9	Very low	29.5	Very low	185 Å²	185	128 Å²	128	80%	0.804	65%	0.648	S	S	*	*			trans	-137.2	84.4	-178	-115.3	-175.2	177.5	-176.8	0	109.8	S95	S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 2.99Å
98	E	24.9	Very low	29.2	Very low	172 Å²	172	123.2 Å²	123.2	80%	0.804	63%	0.626	S	S	*	*			trans	166.7	125.7	132	-92.5	-179.7	167.9	0	0	111.3
99	N	25	Very low	28.8	Very low	129 Å²	129	124.7 Å²	124.7	69%	0.69	63%	0.629	S	S	*	*			trans	46.3	127.6	137.3	-60.2	-41	0	0	0	119.4
100	V	24.3	Very low	28.5	Very low	91 Å²	91	127.3 Å²	127.3	55%	0.552	64%	0.638	S	S	*	*				154.1	130.3	114.7	168.6	0	0	0	0	110.7	F808	V100-F808 HydrophobicContact CB-CE1 4.17Å; V100-F808 HydrophobicContact CB-CZ 4.01Å; V100-F808 HydrophobicContact CG1-CD1 4.22Å; V100-F808 HydrophobicContact CG1-CE1 3.58Å; V100-F808 HydrophobicContact CG1-CZ 3.92Å; V100-F808 HydrophobicContact CG2-CE1 4.06Å; V100-F808 HydrophobicContact CG2-CE2 3.86Å; V100-F808 HydrophobicContact CG2-CZ 3.5Å; V100-F808 VanDerWaalsContact CG2-CZ 3.5Å
101	N	25.1	Very low	28.2	Very low	116 Å²	116	128.2 Å²	128.2	62%	0.62	65%	0.646	S	S	*	*			trans	-40.3	134.3	169	-70	-43.9	0	0	0	114.2	F808	N101-F808 HydrophobicContact CB-CE1 3.92Å; N101-F808 WeakPolarHBondContact ND2-CE1 3.03Å
102	R	22.7	Very low	27.9	Very low	132 Å²	132	127 Å²	127	50%	0.498	64%	0.644	S	S	.	*				162.5	130.7	126.5	-88.1	158.8	-178.5	-168.8	-0.3	109.7	I104 V809	R102-I104 PolarHBondContact O-N 2.85Å; R102-V809 PolarHBondContact NH1-O 2.7Å; R102-V809 VanDerWaalsContact NH1-O 3.14Å; R102-V809 VanDerWaalsContact NH2-CA 3.33Å; R102-V809 VanDerWaalsContact NH2-CG1 3.32Å; R102-V809 PolarHBondContact NH2-O 3.17Å
103	S	25.5	Very low	28	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	64%	0.638	S	S	*	*			trans	-30.5	119.9	165.5	45	0	0	0	0	113.3
104	I	23.7	Very low	28.1	Very low	88 Å²	88	121.9 Å²	121.9	45%	0.451	62%	0.617	S	S	.	*			trans	172.8	117	148.7	-93.7	149.5	0	0	0	110.8	R102	R102-I104 PolarHBondContact O-N 2.85Å
105	L	25.5	Very low	28.3	Very low	49 Å²	49	116.7 Å²	116.7	26%	0.257	60%	0.597	S	S	.	*			trans	46.8	120.4	136.8	-54.8	159.9	0	0	0	120.8	L579 F640	L105-L579 HydrophobicContact CD2-CD1 4.4Å; L105-F640 HydrophobicContact CB-CD2 3.76Å; L105-F640 HydrophobicContact CB-CE2 4.17Å; L105-F640 HydrophobicContact CD1-CB 3.54Å; L105-F640 HydrophobicContact CD1-CD2 3.67Å; L105-F640 HydrophobicContact CD1-CG 4.07Å; L105-F640 HydrophobicContact CD2-CB 4.03Å; L105-F640 HydrophobicContact CD2-CD2 3.08Å; L105-F640 HydrophobicContact CD2-CE2 3.48Å; L105-F640 VanDerWaalsContact CD2-CE2 3.48Å; L105-F640 HydrophobicContact CD2-CG 3.74Å; L105-F640 HydrophobicContact CD2-CZ 4.43Å; L105-F640 HydrophobicContact CG-CB 4.32Å; L105-F640 HydrophobicContact CG-CD2 3.6Å; L105-F640 HydrophobicContact CG-CE2 4.26Å; L105-F640 HydrophobicContact CG-CG 4.36Å
106	F	27.7	Very low	28.5	Very low	115 Å²	115	113.9 Å²	113.9	50%	0.504	57%	0.574	S	S	.	*			trans	-84.5	150.9	-171.5	-51.4	-80.4	0	0	0	113.8	T157	F106-T157 HydrophobicContact CD1-CG2 3.84Å; F106-T157 HydrophobicContact CE1-CG2 3.38Å; F106-T157 HydrophobicContact CZ-CG2 4.35Å
107	P	27.6	Very low	28.8	Very low	84 Å²	84	115.6 Å²	115.6	55%	0.545	58%	0.575	S	S	.	*			trans	-125.8	139.1	154.1	29.8	-14.1	0	0	0	115.5
108	H	24.8	Very low	29.7	Very low	96 Å²	96	108.1 Å²	108.1	44%	0.444	54%	0.543	S	S	.	.			trans	-17.9	131.4	153.7	-170.9	33.6	0	0	0	119.5	I583 H587	H108-I583 HydrophobicContact CB-CG2 4.23Å; H108-H587 AromaticContact CD2-CD2 3.24Å; H108-H587 PolarHBondContact CD2-CD2 3.44Å; H108-H587 AromaticContact CD2-CG 3.68Å; H108-H587 AromaticContact CD2-NE2 3.77Å; H108-H587 AromaticContact CG-CD2 3.96Å; H108-H587 AromaticContact NE2-CD2 3.88Å; H108-H587 AromaticContact NE2-CG 3.94Å
109	L	25.3	Very low	30.7	Very low	143 Å²	143	109.9 Å²	109.9	75%	0.749	55%	0.548	S	S	*	.				-173.3	142	116.4	-100.6	155	0	0	0	112.2
110	Q	26.8	Very low	32	Very low	173 Å²	173	106.9 Å²	106.9	81%	0.808	53%	0.532	S	S	*	.			trans	70.2	114.6	173.1	-85.4	179.7	-10.9	0	0	121.3	N112	Q110-N112 PolarHBondContact O-N 2.87Å; Q110-N112 VanDerWaalsContact O-N 3.16Å
111	I	30.5	Very low	33.6	Very low	162 Å²	162	103.3 Å²	103.3	83%	0.831	51%	0.514	S	S	*	.	S	Bend	trans	-49.5	103.3	162.7	-62.9	157.4	0	0	0	109.4
112	N	29.7	Very low	35.5	Very low	128 Å²	128	98.5 Å²	98.5	68%	0.684	49%	0.49	S	S	*	.			trans	172.5	54.2	151.2	-85	-32.8	0	0	0	108.5	Q110 D114	Q110-N112 PolarHBondContact O-N 2.87Å; Q110-N112 VanDerWaalsContact O-N 3.16Å; N112-D114 PolarHBondContact O-N 3.39Å
113	R	36.2	Very low	37.6	Very low	104 Å²	104	97.1 Å²	97.1	39%	0.392	49%	0.485	S	S	.	.			trans	-68.3	-20.9	179.1	-87.3	-172	170.6	-176.3	-3.3	113.7	Q580	R113-Q580 VanDerWaalsContact NH1-OE1 3.14Å
114	D	36.4	Very low	39.8	Very low	50 Å²	50	93.5 Å²	93.5	27%	0.267	46%	0.457	S	S	.	.			trans	-122.1	40.3	-158	-57.9	-47.7	0	0	0	115	N112 V550 F552	N112-D114 PolarHBondContact O-N 3.39Å; D114-V550 HydrophobicContact CB-CB 4.43Å; D114-V550 WeakPolarHBondContact CB-O 3.1Å; D114-F552 VanDerWaalsContact CG-CE2 3.48Å; D114-F552 VanDerWaalsContact OD1-CE2 3.22Å; D114-F552 WeakPolarHBondContact OD1-CE2 3.29Å; D114-F552 VanDerWaalsContact OD2-CD2 3.23Å; D114-F552 WeakPolarHBondContact OD2-CD2 3.17Å
115	I	36.7	Very low	42.3	Very low	72 Å²	72	90.3 Å²	90.3	37%	0.369	44%	0.442	S	S	.	.			trans	-107	91.3	163.8	-45.2	179.5	0	0	0	108.2	K117	I115-K117 HydrophobicContact CB-CG 4.32Å; I115-K117 HydrophobicContact CG2-CB 4.44Å; I115-K117 HydrophobicContact CG2-CG 3.52Å; I115-K117 PolarHBondContact O-N 3.26Å
116	L	38.7	Very low	44.9	Very low	51 Å²	51	88.4 Å²	88.4	27%	0.267	43%	0.433	S	S	.	.			trans	-59.6	95	147.4	-96.8	155.9	0	0	0	106.3	L118 M140 L142 W160	L116-L118 HydrophobicContact CB-CD1 4.22Å; L116-L118 HydrophobicContact CB-CG 4.16Å; L116-L118 HydrophobicContact CD2-CD1 4.26Å; L116-L118 HydrophobicContact CD2-CD2 4.28Å; L116-L118 HydrophobicContact CD2-CG 3.98Å; L116-L118 PolarHBondContact O-N 3.45Å; L116-M140 HydrophobicContact CD1-CE 3.31Å; L116-L142 HydrophobicContact CD1-CD1 4.06Å; L116-W160 HydrophobicContact CD1-CB 3.91Å; L116-W160 HydrophobicContact CD1-CG 4.18Å; L116-W160 HydrophobicContact CD2-CB 3.95Å; L116-W160 HydrophobicContact CG-CB 3.89Å; L116-W160 HydrophobicContact CG-CG 4.49Å
117	K	40.7	Very low	47.3	Very low	182 Å²	182	84.9 Å²	84.9	79%	0.791	42%	0.416	S	S	*	.			trans	-72.1	57.4	166.6	-70.5	-173	-179.7	178.4	0	108.7	I115 K119	I115-K117 HydrophobicContact CB-CG 4.32Å; I115-K117 HydrophobicContact CG2-CB 4.44Å; I115-K117 HydrophobicContact CG2-CG 3.52Å; I115-K117 PolarHBondContact O-N 3.26Å; K117-K119 PolarHBondContact O-N 2.66Å
118	L	46.5	Very low	49.8	Very low	27 Å²	27	81 Å²	81	14%	0.141	39%	0.391	C	S	.	.			trans	-63.7	125	163.9	-70.1	165.9	0	0	0	105.5	L116 N120 G121 L142 E162	L116-L118 HydrophobicContact CB-CD1 4.22Å; L116-L118 HydrophobicContact CB-CG 4.16Å; L116-L118 HydrophobicContact CD2-CD1 4.26Å; L116-L118 HydrophobicContact CD2-CD2 4.28Å; L116-L118 HydrophobicContact CD2-CG 3.98Å; L116-L118 PolarHBondContact O-N 3.45Å; L118-N120 PolarHBondContact O-N 3.5Å; L118-G121 PolarHBondContact O-N 3.12Å; L118-L142 HydrophobicContact CD1-CD1 3.5Å; L118-L142 VanDerWaalsContact CD1-CD1 3.5Å; L118-L142 HydrophobicContact CD1-CD2 3.4Å; L118-L142 VanDerWaalsContact CD1-CD2 3.4Å; L118-L142 HydrophobicContact CD1-CG 4.12Å; L118-E162 HydrophobicContact CD2-CG 4.49Å; L118-E162 WeakPolarHBondContact CD2-OE1 3.21Å
119	K	45.7	Very low	52.2	Low	209 Å²	209	77.8 Å²	77.8	91%	0.909	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-25.7	-177.7	-72.6	-177.7	176.3	178.3	0	112.8	K117	K117-K119 PolarHBondContact O-N 2.66Å
120	N	52.7	Low	54.3	Low	67 Å²	67	74.9 Å²	74.9	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-1.2	-167.3	-54.9	-32.3	0	0	0	114.8	L118 M145 E146	L118-N120 PolarHBondContact O-N 3.5Å; N120-M145 VanDerWaalsContact O-CB 3.25Å; N120-M145 WeakPolarHBondContact O-CB 3.42Å; N120-M145 VanDerWaalsContact O-CG 3.31Å; N120-M145 WeakPolarHBondContact O-CG 3.33Å; N120-E146 HydrophobicContact CB-CG 4.07Å; N120-E146 PolarHBondContact ND2-OE1 3.07Å; N120-E146 PolarHBondContact ND2-OE2 3.37Å
121	G	57.6	Low	56.4	Low	16 Å²	16	67.6 Å²	67.6	17%	0.165	33%	0.329	C	S	.	.			trans	74.4	165.5	-179.5	0	0	0	0	0	115.7	L118 T144 M145	L118-G121 PolarHBondContact O-N 3.12Å; G121-T144 WeakPolarHBondContact O-CA 3.33Å; G121-M145 PolarHBondContact O-N 3.08Å; G121-M145 VanDerWaalsContact O-N 3.16Å
122	A	64.7	Low	58.6	Low	14 Å²	14	59.9 Å²	59.9	12%	0.116	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.6	-175.6	0	0	0	0	0	112.4	V125 L142	A122-V125 HydrophobicContact CB-CG2 4.34Å; A122-L142 HydrophobicContact CB-CD1 3.8Å; A122-L142 HydrophobicContact CB-CD2 4.24Å; A122-L142 HydrophobicContact CB-CG 4Å
123	R	65.9	Low	60.6	Low	103 Å²	103	54.1 Å²	54.1	39%	0.389	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-44.6	174.6	-175	179.4	172.6	-176.2	-4.8	111.9	T143 M145 N147 K530	R123-T143 WeakPolarHBondContact CA-O 3.49Å; R123-T143 WeakPolarHBondContact CB-O 3.37Å; R123-T143 PolarHBondContact N-O 2.86Å; R123-M145 HydrophobicContact CB-SD 3.64Å; R123-M145 HydrophobicContact CG-SD 4.13Å; R123-N147 PolarHBondContact NH1-OD1 3.39Å; R123-K530 PolarHBondContact O-NZ 3.41Å
124	L	72.7	Confident	62	Low	31 Å²	31	56 Å²	56	16%	0.162	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.3	-178.9	179.3	70.8	0	0	0	109.4	L142 T143 V225 Y226	L124-L142 WeakPolarHBondContact O-CA 3.31Å; L124-T143 PolarHBondContact N-O 3.46Å; L124-T143 PolarHBondContact O-N 3.48Å; L124-V225 WeakPolarHBondContact CD2-O 3.36Å; L124-Y226 HydrophobicContact CD1-CD2 4.26Å; L124-Y226 HydrophobicContact CD1-CE2 4.04Å; L124-Y226 VanDerWaalsContact CD2-CA 3.49Å; L124-Y226 HydrophobicContact CD2-CD2 3.88Å; L124-Y226 HydrophobicContact CD2-CE2 4.39Å; L124-Y226 HydrophobicContact CD2-CG 4.09Å
125	V	76.8	Confident	63.2	Low	20 Å²	20	60 Å²	60	12%	0.121	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.5	173.5	168.3	0	0	0	0	108.7	A122 M140 S141 L142 L528	A122-V125 HydrophobicContact CB-CG2 4.34Å; V125-M140 HydrophobicContact CB-SD 4.34Å; V125-M140 HydrophobicContact CG1-CG 3.57Å; V125-M140 HydrophobicContact CG1-SD 3.26Å; V125-M140 WeakPolarHBondContact CG1-SD 3.42Å; V125-M140 HydrophobicContact CG2-SD 4.16Å; V125-S141 CarbonylContact C-O 3.58Å; V125-S141 WeakPolarHBondContact CA-O 3.49Å; V125-L142 HydrophobicContact CG2-CD1 4.07Å; V125-L142 HydrophobicContact CG2-CG 4.2Å; V125-L528 HydrophobicContact CB-CD2 4.28Å; V125-L528 HydrophobicContact CG2-CD2 4.11Å
126	S	80.2	Confident	64.5	Low	10 Å²	10	62.3 Å²	62.3	7%	0.07	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.4	173.4	-170.2	0	0	0	0	109.6	S141 T227 W229	S126-S141 WeakPolarHBondContact CB-OG 3.46Å; S126-S141 PolarHBondContact N-O 3.43Å; S126-S141 PolarHBondContact O-N 3.32Å; S126-S141 PolarHBondContact O-OG 3.49Å; S126-S141 VanDerWaalsContact O-OG 3.13Å; S126-T227 WeakPolarHBondContact CB-O 3.33Å; S126-T227 WeakPolarHBondContact CB-OG1 3.4Å; S126-T227 PolarHBondContact OG-O 2.8Å; S126-W229 PolarHBondContact O-NE1 2.85Å
127	W	76.8	Confident	65.9	Low	40 Å²	40	63 Å²	63	15%	0.152	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.2	-174.6	-69.5	87.7	0	0	0	111.1	C138 M140 W160 W229 V550 F552	W127-C138 HydrophobicContact CE3-CB 3.93Å; W127-C138 HydrophobicContact CZ3-CB 4.41Å; W127-M140 HydrophobicContact CD2-CG 4.44Å; W127-M140 HydrophobicContact CE3-CB 4.31Å; W127-M140 HydrophobicContact CH2-SD 4.21Å; W127-M140 HydrophobicContact CZ2-SD 3.81Å; W127-M140 HydrophobicContact CZ3-CB 4.38Å; W127-W160 HydrophobicContact CE3-CH2 4.33Å; W127-W160 AromaticContact CH2-CH2 3.74Å; W127-W160 HydrophobicContact CH2-CH2 3.74Å; W127-W160 AromaticContact CH2-CZ2 3.31Å; W127-W160 HydrophobicContact CH2-CZ2 3.31Å; W127-W160 AromaticContact CZ3-CH2 3.32Å; W127-W160 HydrophobicContact CZ3-CH2 3.32Å; W127-W160 AromaticContact CZ3-CZ2 3.37Å; W127-W160 HydrophobicContact CZ3-CZ2 3.37Å; W127-W160 HydrophobicContact CZ3-CZ3 4.4Å; W127-W229 WeakPolarHBondContact O-CB 3.29Å; W127-V550 HydrophobicContact CZ2-CG1 4.04Å; W127-F552 HydrophobicContact CH2-CE1 4.24Å; W127-F552 AromaticContact CH2-CZ 3.76Å; W127-F552 HydrophobicContact CH2-CZ 3.76Å; W127-F552 HydrophobicContact CZ2-CE1 4.43Å; W127-F552 AromaticContact CZ2-CZ 3.97Å; W127-F552 HydrophobicContact CZ2-CZ 3.97Å
128	S	80.4	Confident	67.5	Low	4 Å²	4	55.7 Å²	55.7	3%	0.028	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-68.3	159.4	167.9	81.7	0	0	0	0	111.1	C138 I139 W229	S128-C138 PolarHBondContact O-SG 2.97Å; S128-I139 PolarHBondContact N-O 3.19Å; S128-I139 WeakPolarHBondContact OG-CG1 3.26Å; S128-I139 PolarHBondContact OG-N 2.97Å; S128-I139 PolarHBondContact OG-O 2.94Å; S128-W229 VanDerWaalsContact CA-CG 3.44Å
129	P	74.5	Confident	69.1	Low	27 Å²	27	54.4 Å²	54.4	18%	0.175	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-49.5	161.9	158.1	-29.2	34.9	0	0	0	112	V132 W229 Q231	P129-V132 WeakPolarHBondContact O-CG2 3.49Å; P129-W229 VanDerWaalsContact CD-CB 3.43Å; P129-W229 HydrophobicContact CG-CB 4.47Å; P129-Q231 HydrophobicContact CB-CB 3.42Å; P129-Q231 VanDerWaalsContact CB-CB 3.42Å; P129-Q231 HydrophobicContact CB-CG 4.29Å; P129-Q231 HydrophobicContact CG-CB 3.4Å
130	R	70.3	Confident	70.8	Confident	82 Å²	82	44.5 Å²	44.5	31%	0.309	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	162	174.5	-60.8	99.8	166.9	-130.6	23.2	110.5	V132 Q231 V518 S519 T520	R130-V132 VanDerWaalsContact C-N 3.32Å; R130-V132 PolarHBondContact O-N 2.95Å; R130-Q231 PolarHBondContact O-NE2 2.71Å; R130-Q231 PolarHBondContact O-OE1 3.13Å; R130-V518 PolarHBondContact NE-O 2.85Å; R130-V518 PolarHBondContact NH2-O 2.76Å; R130-S519 PolarHBondContact NH2-O 3.29Å; R130-T520 HydrophobicContact CB-CG2 4.07Å; R130-T520 HydrophobicContact CG-CG2 3.65Å; R130-T520 PolarHBondContact NH1-O 3.09Å
131	G	70.8	Confident	72.5	Confident	20 Å²	20	41.3 Å²	41.3	21%	0.206	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	6.2	173.5	0	0	0	0	0	114.6	E136 V297	G131-E136 VanDerWaalsContact CA-C 3.46Å; G131-E136 WeakPolarHBondContact CA-O 3.19Å; G131-E136 PolarHBondContact N-O 2.94Å; G131-V297 WeakPolarHBondContact O-CG1 3.18Å
132	V	76.3	Confident	73.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.188	C	C	.	.			trans	-85.3	-39.5	-168.1	175.2	0	0	0	0	112.5	P129 R130 R137 I139 T279 V295 V297 P298 F299	P129-V132 WeakPolarHBondContact O-CG2 3.49Å; R130-V132 VanDerWaalsContact C-N 3.32Å; R130-V132 PolarHBondContact O-N 2.95Å; V132-R137 PolarHBondContact N-O 3.38Å; V132-I139 HydrophobicContact CB-CG1 4.37Å; V132-I139 HydrophobicContact CG1-CD1 3.6Å; V132-I139 HydrophobicContact CG1-CG1 3.72Å; V132-I139 HydrophobicContact CG1-CG2 4.28Å; V132-T279 HydrophobicContact CG2-CG2 3.98Å; V132-V295 HydrophobicContact CG1-CG1 4.47Å; V132-V297 HydrophobicContact CG2-CG2 4.47Å; V132-P298 CarbonylContact O-C 3.57Å; V132-P298 WeakPolarHBondContact O-CA 3.29Å; V132-F299 HydrophobicContact CG1-CB 4.02Å; V132-F299 WeakPolarHBondContact O-CB 3.11Å; V132-F299 PolarHBondContact O-N 2.92Å
133	D	71.2	Confident	74.3	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.037	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-77.2	171.2	176.5	90.9	-11.9	0	0	0	112.3	Y135 E136 R137 I139	D133-Y135 PolarHBondContact O-N 3.13Å; D133-Y135 VanDerWaalsContact OD1-CA 3.29Å; D133-Y135 WeakPolarHBondContact OD1-CA 3.19Å; D133-Y135 PolarHBondContact OD1-N 3.05Å; D133-E136 PolarHBondContact O-N 2.99Å; D133-E136 PolarHBondContact OD1-N 3.04Å; D133-R137 PolarHBondContact N-O 3.24Å; D133-R137 WeakPolarHBondContact OD1-CA 3.23Å; D133-R137 WeakPolarHBondContact OD1-CB 3.34Å; D133-R137 PolarHBondContact OD1-N 2.87Å; D133-R137 IonicContact OD1-NE 3.19Å; D133-R137 IonicContact OD2-CZ 2.89Å; D133-R137 VanDerWaalsContact OD2-CZ 3.25Å; D133-R137 IonicContact OD2-NE 3.46Å; D133-R137 PolarHBondContact OD2-NE 3.49Å; D133-R137 IonicContact OD2-NH2 2.77Å; D133-R137 PolarHBondContact OD2-NH2 3.3Å; D133-I139 HydrophobicContact CB-CG2 3.75Å
134	K	67.2	Low	74.6	Confident	145 Å²	145	35.6 Å²	35.6	63%	0.63	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-11.6	178	65.5	179.5	171.6	-179.8	0	115.6	P298	K134-P298 HydrophobicContact CB-CB 4.12Å
135	Y	61.7	Low	74	Confident	134 Å²	134	36 Å²	36	53%	0.525	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	18.4	178	-53.3	-70.6	0	0	0	112.1	D133 R137	D133-Y135 PolarHBondContact O-N 3.13Å; D133-Y135 VanDerWaalsContact OD1-CA 3.29Å; D133-Y135 WeakPolarHBondContact OD1-CA 3.19Å; D133-Y135 PolarHBondContact OD1-N 3.05Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 3.42Å
136	E	63.7	Low	73.3	Confident	120 Å²	120	37 Å²	37	56%	0.561	17%	0.172	S	C	*	.	S	Bend	trans	64.5	20.8	-178.3	-52.9	-176.4	160.1	0	0	115.4	G131 D133 N573	G131-E136 VanDerWaalsContact CA-C 3.46Å; G131-E136 WeakPolarHBondContact CA-O 3.19Å; G131-E136 PolarHBondContact N-O 2.94Å; D133-E136 PolarHBondContact O-N 2.99Å; D133-E136 PolarHBondContact OD1-N 3.04Å; E136-N573 PolarHBondContact OE2-ND2 2.76Å
137	R	66.8	Low	72.8	Confident	64 Å²	64	38.7 Å²	38.7	24%	0.242	18%	0.18	C	C	.	.			trans	-93.9	171.4	177.8	-52.7	175.5	-63.3	-180	3.3	111.5	V132 D133 Y135 L154 G156	V132-R137 PolarHBondContact N-O 3.38Å; D133-R137 PolarHBondContact N-O 3.24Å; D133-R137 WeakPolarHBondContact OD1-CA 3.23Å; D133-R137 WeakPolarHBondContact OD1-CB 3.34Å; D133-R137 PolarHBondContact OD1-N 2.87Å; D133-R137 IonicContact OD1-NE 3.19Å; D133-R137 IonicContact OD2-CZ 2.89Å; D133-R137 VanDerWaalsContact OD2-CZ 3.25Å; D133-R137 IonicContact OD2-NE 3.46Å; D133-R137 PolarHBondContact OD2-NE 3.49Å; D133-R137 IonicContact OD2-NH2 2.77Å; D133-R137 PolarHBondContact OD2-NH2 3.3Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 3.42Å; R137-L154 HydrophobicContact CB-CD1 4.36Å; R137-L154 PolarHBondContact NH2-O 3.4Å; R137-L154 VanDerWaalsContact NH2-O 3.16Å; R137-G156 PolarHBondContact NH1-O 3.29Å
138	C	74.3	Confident	72.7	Confident	29 Å²	29	40.5 Å²	40.5	20%	0.196	19%	0.186	C	C	.	.			trans	-76.3	149.9	172.2	-55.2	0	0	0	0	111.1	W127 S128	W127-C138 HydrophobicContact CE3-CB 3.93Å; W127-C138 HydrophobicContact CZ3-CB 4.41Å; S128-C138 PolarHBondContact O-SG 2.97Å
139	I	80	Confident	72.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.185	C	C	.	.			trans	-108.2	167.8	164	66.9	172.1	0	0	0	109	S128 V132 D133 T153 W229 F299	S128-I139 PolarHBondContact N-O 3.19Å; S128-I139 WeakPolarHBondContact OG-CG1 3.26Å; S128-I139 PolarHBondContact OG-N 2.97Å; S128-I139 PolarHBondContact OG-O 2.94Å; V132-I139 HydrophobicContact CB-CG1 4.37Å; V132-I139 HydrophobicContact CG1-CD1 3.6Å; V132-I139 HydrophobicContact CG1-CG1 3.72Å; V132-I139 HydrophobicContact CG1-CG2 4.28Å; D133-I139 HydrophobicContact CB-CG2 3.75Å; I139-T153 HydrophobicContact CB-CG2 4.49Å; I139-T153 HydrophobicContact CG2-CG2 3.84Å; I139-W229 HydrophobicContact CD1-CH2 3.44Å; I139-W229 VanDerWaalsContact CD1-CH2 3.44Å; I139-W229 HydrophobicContact CD1-CZ2 3.94Å; I139-W229 HydrophobicContact CD1-CZ3 4.13Å; I139-W229 HydrophobicContact CG1-CH2 3.96Å; I139-W229 HydrophobicContact CG1-CZ2 4.07Å; I139-F299 HydrophobicContact CD1-CB 4.33Å; I139-F299 HydrophobicContact CD1-CD1 4.07Å; I139-F299 HydrophobicContact CD1-CD2 4.23Å; I139-F299 HydrophobicContact CD1-CE1 4.39Å; I139-F299 HydrophobicContact CD1-CG 3.95Å; I139-F299 HydrophobicContact CG2-CD1 4.47Å
140	M	82.7	Confident	73.4	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.9	-175.2	-174	177	66.1	0	0	110.3	L116 V125 W127 L142 L151 C152 W160	L116-M140 HydrophobicContact CD1-CE 3.31Å; V125-M140 HydrophobicContact CB-SD 4.34Å; V125-M140 HydrophobicContact CG1-CG 3.57Å; V125-M140 HydrophobicContact CG1-SD 3.26Å; V125-M140 WeakPolarHBondContact CG1-SD 3.42Å; V125-M140 HydrophobicContact CG2-SD 4.16Å; W127-M140 HydrophobicContact CD2-CG 4.44Å; W127-M140 HydrophobicContact CE3-CB 4.31Å; W127-M140 HydrophobicContact CH2-SD 4.21Å; W127-M140 HydrophobicContact CZ2-SD 3.81Å; W127-M140 HydrophobicContact CZ3-CB 4.38Å; M140-L142 HydrophobicContact CE-CB 4.26Å; M140-L142 HydrophobicContact CE-CD1 3.75Å; M140-L151 CarbonylContact O-C 3.52Å; M140-L151 WeakPolarHBondContact O-CA 3.15Å; M140-C152 HydrophobicContact CB-CB 4.43Å; M140-C152 HydrophobicContact CE-CB 4.08Å; M140-C152 PolarHBondContact N-O 3Å; M140-C152 PolarHBondContact O-N 2.89Å; M140-W160 HydrophobicContact CB-CE3 4.43Å; M140-W160 HydrophobicContact CB-CH2 4.34Å; M140-W160 HydrophobicContact CB-CZ3 3.97Å
141	S	87	Confident	74.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.1	161.8	55.4	0	0	0	0	109.2	V125 S126 V150 T227 W229	V125-S141 CarbonylContact C-O 3.58Å; V125-S141 WeakPolarHBondContact CA-O 3.49Å; S126-S141 WeakPolarHBondContact CB-OG 3.46Å; S126-S141 PolarHBondContact N-O 3.43Å; S126-S141 PolarHBondContact O-N 3.32Å; S126-S141 PolarHBondContact O-OG 3.49Å; S126-S141 VanDerWaalsContact O-OG 3.13Å; S141-V150 WeakPolarHBondContact CA-O 3.18Å; S141-T227 WeakPolarHBondContact OG-CB 3.33Å; S141-T227 PolarHBondContact OG-OG1 2.82Å; S141-W229 PolarHBondContact OG-NE1 3.41Å
142	L	82	Confident	74.9	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.5	-176.7	-179.2	151.2	0	0	0	109.1	L116 L118 A122 L124 V125 M140 T144 T149 V150	L116-L142 HydrophobicContact CD1-CD1 4.06Å; L118-L142 HydrophobicContact CD1-CD1 3.5Å; L118-L142 VanDerWaalsContact CD1-CD1 3.5Å; L118-L142 HydrophobicContact CD1-CD2 3.4Å; L118-L142 VanDerWaalsContact CD1-CD2 3.4Å; L118-L142 HydrophobicContact CD1-CG 4.12Å; A122-L142 HydrophobicContact CB-CD1 3.8Å; A122-L142 HydrophobicContact CB-CD2 4.24Å; A122-L142 HydrophobicContact CB-CG 4Å; L124-L142 WeakPolarHBondContact O-CA 3.31Å; V125-L142 HydrophobicContact CG2-CD1 4.07Å; V125-L142 HydrophobicContact CG2-CG 4.2Å; M140-L142 HydrophobicContact CE-CB 4.26Å; M140-L142 HydrophobicContact CE-CD1 3.75Å; L142-T144 HydrophobicContact CD2-CG2 3.69Å; L142-T149 CarbonylContact O-C 3.45Å; L142-T149 VanDerWaalsContact O-CA 3.29Å; L142-T149 WeakPolarHBondContact O-CA 3.41Å; L142-V150 HydrophobicContact CB-CG2 4.06Å; L142-V150 HydrophobicContact CD2-CG2 3.97Å; L142-V150 PolarHBondContact N-O 3.44Å; L142-V150 PolarHBondContact O-N 2.82Å
143	T	79.1	Confident	75	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.7	168.5	-56.3	0	0	0	0	108.6	R123 L124 R148 T149	R123-T143 WeakPolarHBondContact CA-O 3.49Å; R123-T143 WeakPolarHBondContact CB-O 3.37Å; R123-T143 PolarHBondContact N-O 2.86Å; L124-T143 PolarHBondContact N-O 3.46Å; L124-T143 PolarHBondContact O-N 3.48Å; T143-R148 CarbonylContact C-O 3.54Å; T143-R148 WeakPolarHBondContact CA-O 3.29Å; T143-T149 PolarHBondContact OG1-OG1 2.92Å
144	T	72.2	Confident	74.8	Confident	9 Å²	9	36 Å²	36	6%	0.055	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	169	177.3	72.9	0	0	0	0	110.8	G121 L142 E146 N147 R148	G121-T144 WeakPolarHBondContact O-CA 3.33Å; L142-T144 HydrophobicContact CD2-CG2 3.69Å; T144-E146 PolarHBondContact O-N 3.35Å; T144-E146 PolarHBondContact OG1-N 3.41Å; T144-N147 PolarHBondContact O-N 2.91Å; T144-R148 HydrophobicContact CG2-CB 4.37Å; T144-R148 PolarHBondContact N-O 2.86Å; T144-R148 PolarHBondContact OG1-N 2.96Å; T144-R148 VanDerWaalsContact OG1-N 3.17Å; T144-R148 PolarHBondContact OG1-O 3.27Å
145	M	60.3	Low	74.7	Confident	39 Å²	39	34.8 Å²	34.8	19%	0.192	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.1	174.8	-68	-66.3	-30.7	0	0	113.9	N120 G121 R123 N147 Y534 L535	N120-M145 VanDerWaalsContact O-CB 3.25Å; N120-M145 WeakPolarHBondContact O-CB 3.42Å; N120-M145 VanDerWaalsContact O-CG 3.31Å; N120-M145 WeakPolarHBondContact O-CG 3.33Å; G121-M145 PolarHBondContact O-N 3.08Å; G121-M145 VanDerWaalsContact O-N 3.16Å; R123-M145 HydrophobicContact CB-SD 3.64Å; R123-M145 HydrophobicContact CG-SD 4.13Å; M145-N147 PolarHBondContact O-N 3.41Å; M145-Y534 HydrophobicContact CE-CE1 3.42Å; M145-Y534 VanDerWaalsContact CE-CE1 3.42Å; M145-Y534 VanDerWaalsContact CE-OH 3.31Å; M145-Y534 WeakPolarHBondContact CE-OH 3.36Å; M145-Y534 HydrophobicContact CG-CE1 4.16Å; M145-Y534 WeakPolarHBondContact CG-OH 3.15Å; M145-Y534 HydrophobicContact SD-CD1 4.36Å; M145-Y534 HydrophobicContact SD-CE1 3.26Å; M145-Y534 WeakPolarHBondContact SD-CE1 3.36Å; M145-Y534 PolarHBondContact SD-OH 2.85Å; M145-L535 HydrophobicContact CE-CD2 3.41Å; M145-L535 VanDerWaalsContact CE-CD2 3.41Å; M145-L535 HydrophobicContact CE-CG 4.23Å
146	E	62.5	Low	74.5	Confident	42 Å²	42	30.4 Å²	30.4	20%	0.196	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	10.7	172.5	-61.7	179.7	147	0	0	112.2	S30 N120 T144 R148	S30-E146 PolarHBondContact OG-OE1 3.21Å; N120-E146 HydrophobicContact CB-CG 4.07Å; N120-E146 PolarHBondContact ND2-OE1 3.07Å; N120-E146 PolarHBondContact ND2-OE2 3.37Å; T144-E146 PolarHBondContact O-N 3.35Å; T144-E146 PolarHBondContact OG1-N 3.41Å; E146-R148 PolarHBondContact O-N 3.04Å
147	N	69	Low	73.9	Confident	44 Å²	44	27.6 Å²	27.6	24%	0.235	14%	0.144	C	C	.	.	S	Bend	trans	62.9	21	-177.8	-50.6	-55.3	0	0	0	114.7	R123 T144 M145 V223	R123-N147 PolarHBondContact NH1-OD1 3.39Å; T144-N147 PolarHBondContact O-N 2.91Å; M145-N147 PolarHBondContact O-N 3.41Å; N147-V223 HydrophobicContact CB-CB 4.45Å; N147-V223 HydrophobicContact CB-CG1 3.86Å; N147-V223 HydrophobicContact CB-CG2 4.08Å
148	R	74.7	Confident	73	Confident	78 Å²	78	31 Å²	31	29%	0.294	16%	0.163	S	C	.	.			trans	-82.8	134.9	168	-64.1	-178.7	75.6	164.7	4.7	109.2	T143 T144 E146 D165	T143-R148 CarbonylContact C-O 3.54Å; T143-R148 WeakPolarHBondContact CA-O 3.29Å; T144-R148 HydrophobicContact CG2-CB 4.37Å; T144-R148 PolarHBondContact N-O 2.86Å; T144-R148 PolarHBondContact OG1-N 2.96Å; T144-R148 VanDerWaalsContact OG1-N 3.17Å; T144-R148 PolarHBondContact OG1-O 3.27Å; E146-R148 PolarHBondContact O-N 3.04Å; R148-D165 IonicContact CZ-OD2 2.73Å; R148-D165 VanDerWaalsContact CZ-OD2 3.25Å; R148-D165 IonicContact NE-OD2 3.52Å; R148-D165 PolarHBondContact NE-OD2 2.91Å; R148-D165 VanDerWaalsContact NE-OD2 3.09Å; R148-D165 IonicContact NH2-OD2 3.94Å; R148-D165 PolarHBondContact NH2-OD2 3.06Å
149	T	84.9	Confident	72.1	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.3	174.3	-66.6	0	0	0	0	109.6	L142 T143 L166 A167 V224 T227	L142-T149 CarbonylContact O-C 3.45Å; L142-T149 VanDerWaalsContact O-CA 3.29Å; L142-T149 WeakPolarHBondContact O-CA 3.41Å; T143-T149 PolarHBondContact OG1-OG1 2.92Å; T149-L166 HydrophobicContact CG2-CB 4.16Å; T149-L166 HydrophobicContact CG2-CD2 3.98Å; T149-L166 WeakPolarHBondContact O-CA 3.31Å; T149-L166 WeakPolarHBondContact O-CB 3.22Å; T149-L166 PolarHBondContact O-N 2.92Å; T149-A167 PolarHBondContact O-N 3.49Å; T149-V224 HydrophobicContact CG2-CG1 4.48Å; T149-V224 WeakPolarHBondContact OG1-CB 3.29Å; T149-V224 WeakPolarHBondContact OG1-CG1 3.36Å; T149-V224 WeakPolarHBondContact OG1-CG2 3.29Å; T149-T227 HydrophobicContact CG2-CG2 3.98Å
150	V	85.8	Confident	71.5	Confident	3 Å²	3	34 Å²	34	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.7	-179.9	-63.1	0	0	0	0	110.1	S141 L142 E162 V164 D165	S141-V150 WeakPolarHBondContact CA-O 3.18Å; L142-V150 HydrophobicContact CB-CG2 4.06Å; L142-V150 HydrophobicContact CD2-CG2 3.97Å; L142-V150 PolarHBondContact N-O 3.44Å; L142-V150 PolarHBondContact O-N 2.82Å; V150-E162 HydrophobicContact CB-CG 4.39Å; V150-E162 HydrophobicContact CG2-CG 4.32Å; V150-V164 CarbonylContact C-O 3.54Å; V150-V164 VanDerWaalsContact CA-O 3.28Å; V150-V164 WeakPolarHBondContact CA-O 3.47Å; V150-D165 HydrophobicContact CG1-CB 4.49Å
151	L	88.3	Confident	71.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.2	166	-54.8	-172.1	0	0	0	108.2	M140 S163 V164 W229 L281 F299 M305	M140-L151 CarbonylContact O-C 3.52Å; M140-L151 WeakPolarHBondContact O-CA 3.15Å; L151-S163 PolarHBondContact O-N 3.46Å; L151-V164 HydrophobicContact CB-CB 4.14Å; L151-V164 HydrophobicContact CD1-CB 4.4Å; L151-V164 HydrophobicContact CG-CB 4.35Å; L151-V164 PolarHBondContact N-O 3.48Å; L151-V164 PolarHBondContact O-N 2.86Å; L151-W229 HydrophobicContact CD1-CH2 4.31Å; L151-W229 HydrophobicContact CD2-CH2 4.41Å; L151-W229 HydrophobicContact CD2-CZ2 3.86Å; L151-L281 HydrophobicContact CD1-CD2 4.36Å; L151-L281 HydrophobicContact CD2-CD2 3.98Å; L151-F299 HydrophobicContact CB-CZ 4.31Å; L151-F299 HydrophobicContact CD1-CE2 4.05Å; L151-F299 HydrophobicContact CD1-CZ 3.94Å; L151-M305 HydrophobicContact CD1-CE 3.85Å; L151-M305 HydrophobicContact CD1-SD 3.53Å; L151-M305 VanDerWaalsContact CD1-SD 3.53Å
152	C	82.9	Confident	70.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.7	177	-56.3	0	0	0	0	109.8	M140 W160 E161	M140-C152 HydrophobicContact CB-CB 4.43Å; M140-C152 HydrophobicContact CE-CB 4.08Å; M140-C152 PolarHBondContact N-O 3Å; M140-C152 PolarHBondContact O-N 2.89Å; C152-W160 HydrophobicContact CB-CB 4.47Å; C152-W160 HydrophobicContact CB-CE3 3.74Å; C152-W160 HydrophobicContact CB-CZ3 4.46Å; C152-W160 WeakPolarHBondContact O-CZ3 3.46Å; C152-E161 CarbonylContact C-O 3.58Å; C152-E161 WeakPolarHBondContact CA-O 3.45Å
153	T	78.6	Confident	70.9	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	159	170	52.7	0	0	0	0	109.7	I139 K155 W160 E161 S163 F299	I139-T153 HydrophobicContact CB-CG2 4.49Å; I139-T153 HydrophobicContact CG2-CG2 3.84Å; T153-K155 PolarHBondContact O-N 3.36Å; T153-W160 VanDerWaalsContact C-CE3 3.48Å; T153-W160 CarbonylContact O-C 3.59Å; T153-W160 WeakPolarHBondContact O-CA 3.39Å; T153-E161 PolarHBondContact N-O 2.94Å; T153-E161 PolarHBondContact O-N 3.33Å; T153-S163 WeakPolarHBondContact CG2-OG 3.3Å; T153-S163 PolarHBondContact OG1-OG 3.33Å; T153-F299 HydrophobicContact CG2-CD1 3.57Å; T153-F299 HydrophobicContact CG2-CE1 3.59Å
154	L	67.3	Low	71.2	Confident	31 Å²	31	45 Å²	45	16%	0.162	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.2	172.7	-80.3	163	0	0	0	110.6	R137 G156 S159 W160	R137-L154 HydrophobicContact CB-CD1 4.36Å; R137-L154 PolarHBondContact NH2-O 3.4Å; R137-L154 VanDerWaalsContact NH2-O 3.16Å; L154-G156 PolarHBondContact O-N 3.12Å; L154-S159 CarbonylContact C-O 3.56Å; L154-W160 HydrophobicContact CD1-CH2 4.08Å; L154-W160 HydrophobicContact CD1-CZ2 4.03Å; L154-W160 HydrophobicContact CD2-CD2 3.94Å; L154-W160 HydrophobicContact CD2-CE3 4.49Å; L154-W160 HydrophobicContact CD2-CG 4.33Å; L154-W160 HydrophobicContact CD2-CH2 4.28Å; L154-W160 HydrophobicContact CD2-CZ2 3.69Å; L154-W160 HydrophobicContact CG-CD2 4.13Å; L154-W160 HydrophobicContact CG-CE3 4.19Å; L154-W160 HydrophobicContact CG-CH2 3.69Å; L154-W160 HydrophobicContact CG-CZ2 3.62Å; L154-W160 HydrophobicContact CG-CZ3 4Å
155	K	64.8	Low	71.8	Confident	119 Å²	119	45.9 Å²	45.9	52%	0.517	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	96.2	166.8	-171.6	-177.4	-166	163.1	0	109.3	T153 S159 E161	T153-K155 PolarHBondContact O-N 3.36Å; K155-S159 WeakPolarHBondContact CA-O 3.4Å; K155-S159 PolarHBondContact N-O 2.71Å; K155-S159 PolarHBondContact O-OG 2.97Å; K155-E161 HydrophobicContact CB-CB 3.89Å; K155-E161 VanDerWaalsContact CB-CD 3.48Å; K155-E161 HydrophobicContact CB-CG 3.77Å; K155-E161 HydrophobicContact CD-CB 4.29Å; K155-E161 WeakPolarHBondContact CD-OE2 3.34Å; K155-E161 HydrophobicContact CG-CG 4.44Å; K155-E161 VanDerWaalsContact CG-OE2 3.29Å; K155-E161 WeakPolarHBondContact CG-OE2 3.17Å; K155-E161 IonicContact NZ-OE2 3.65Å
156	G	57.8	Low	73.1	Confident	43 Å²	43	44.1 Å²	44.1	44%	0.443	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-136.1	-172.8	0	0	0	0	0	111.2	R137 L154	R137-G156 PolarHBondContact NH1-O 3.29Å; L154-G156 PolarHBondContact O-N 3.12Å
157	T	50.3	Low	74.2	Confident	61 Å²	61	42.5 Å²	42.5	37%	0.374	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-19.7	-174.1	44.9	0	0	0	0	115	F106	F106-T157 HydrophobicContact CD1-CG2 3.84Å; F106-T157 HydrophobicContact CE1-CG2 3.38Å; F106-T157 HydrophobicContact CZ-CG2 4.35Å
158	E	47.5	Very low	74.8	Confident	134 Å²	134	42 Å²	42	63%	0.626	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-11	-164.2	-69.6	177.8	-176.5	0	0	114.1
159	S	57.2	Low	75.3	Confident	52 Å²	52	38.3 Å²	38.3	36%	0.364	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.2	-174.6	63.7	0	0	0	0	112.2	L154 K155	L154-S159 CarbonylContact C-O 3.56Å; K155-S159 WeakPolarHBondContact CA-O 3.4Å; K155-S159 PolarHBondContact N-O 2.71Å; K155-S159 PolarHBondContact O-OG 2.97Å
160	W	66.6	Low	75.5	Confident	41 Å²	41	38.4 Å²	38.4	16%	0.155	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.4	166.8	-70.4	88	0	0	0	108.8	L116 W127 M140 C152 T153 L154	L116-W160 HydrophobicContact CD1-CB 3.91Å; L116-W160 HydrophobicContact CD1-CG 4.18Å; L116-W160 HydrophobicContact CD2-CB 3.95Å; L116-W160 HydrophobicContact CG-CB 3.89Å; L116-W160 HydrophobicContact CG-CG 4.49Å; W127-W160 HydrophobicContact CE3-CH2 4.33Å; W127-W160 AromaticContact CH2-CH2 3.74Å; W127-W160 HydrophobicContact CH2-CH2 3.74Å; W127-W160 AromaticContact CH2-CZ2 3.31Å; W127-W160 HydrophobicContact CH2-CZ2 3.31Å; W127-W160 AromaticContact CZ3-CH2 3.32Å; W127-W160 HydrophobicContact CZ3-CH2 3.32Å; W127-W160 AromaticContact CZ3-CZ2 3.37Å; W127-W160 HydrophobicContact CZ3-CZ2 3.37Å; W127-W160 HydrophobicContact CZ3-CZ3 4.4Å; M140-W160 HydrophobicContact CB-CE3 4.43Å; M140-W160 HydrophobicContact CB-CH2 4.34Å; M140-W160 HydrophobicContact CB-CZ3 3.97Å; C152-W160 HydrophobicContact CB-CB 4.47Å; C152-W160 HydrophobicContact CB-CE3 3.74Å; C152-W160 HydrophobicContact CB-CZ3 4.46Å; C152-W160 WeakPolarHBondContact O-CZ3 3.46Å; T153-W160 VanDerWaalsContact C-CE3 3.48Å; T153-W160 CarbonylContact O-C 3.59Å; T153-W160 WeakPolarHBondContact O-CA 3.39Å; L154-W160 HydrophobicContact CD1-CH2 4.08Å; L154-W160 HydrophobicContact CD1-CZ2 4.03Å; L154-W160 HydrophobicContact CD2-CD2 3.94Å; L154-W160 HydrophobicContact CD2-CE3 4.49Å; L154-W160 HydrophobicContact CD2-CG 4.33Å; L154-W160 HydrophobicContact CD2-CH2 4.28Å; L154-W160 HydrophobicContact CD2-CZ2 3.69Å; L154-W160 HydrophobicContact CG-CD2 4.13Å; L154-W160 HydrophobicContact CG-CE3 4.19Å; L154-W160 HydrophobicContact CG-CH2 3.69Å; L154-W160 HydrophobicContact CG-CZ2 3.62Å; L154-W160 HydrophobicContact CG-CZ3 4Å
161	E	75.6	Confident	75.4	Confident	74 Å²	74	38.6 Å²	38.6	35%	0.346	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.1	169.1	68.1	-170.2	164	0	0	110.2	C152 T153 K155 S163	C152-E161 CarbonylContact C-O 3.58Å; C152-E161 WeakPolarHBondContact CA-O 3.45Å; T153-E161 PolarHBondContact N-O 2.94Å; T153-E161 PolarHBondContact O-N 3.33Å; K155-E161 HydrophobicContact CB-CB 3.89Å; K155-E161 VanDerWaalsContact CB-CD 3.48Å; K155-E161 HydrophobicContact CB-CG 3.77Å; K155-E161 HydrophobicContact CD-CB 4.29Å; K155-E161 WeakPolarHBondContact CD-OE2 3.34Å; K155-E161 HydrophobicContact CG-CG 4.44Å; K155-E161 VanDerWaalsContact CG-OE2 3.29Å; K155-E161 WeakPolarHBondContact CG-OE2 3.17Å; K155-E161 IonicContact NZ-OE2 3.65Å; E161-S163 PolarHBondContact O-N 2.87Å
162	E	80.1	Confident	75.2	Confident	111 Å²	111	38.8 Å²	38.8	52%	0.519	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.3	168	-65	178	-176	0	0	108.4	L118 V150	L118-E162 HydrophobicContact CD2-CG 4.49Å; L118-E162 WeakPolarHBondContact CD2-OE1 3.21Å; V150-E162 HydrophobicContact CB-CG 4.39Å; V150-E162 HydrophobicContact CG2-CG 4.32Å
163	S	82.5	Confident	75.4	Confident	47 Å²	47	38.9 Å²	38.9	33%	0.329	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-38.5	176.5	-98.1	0	0	0	0	112.1	L151 T153 E161	L151-S163 PolarHBondContact O-N 3.46Å; T153-S163 WeakPolarHBondContact CG2-OG 3.3Å; T153-S163 PolarHBondContact OG1-OG 3.33Å; E161-S163 PolarHBondContact O-N 2.87Å
164	V	86.3	Confident	75.8	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	131.6	-174.3	172.1	0	0	0	0	110.2	V150 L151 I169 F299 V302 M305	V150-V164 CarbonylContact C-O 3.54Å; V150-V164 VanDerWaalsContact CA-O 3.28Å; V150-V164 WeakPolarHBondContact CA-O 3.47Å; L151-V164 HydrophobicContact CB-CB 4.14Å; L151-V164 HydrophobicContact CD1-CB 4.4Å; L151-V164 HydrophobicContact CG-CB 4.35Å; L151-V164 PolarHBondContact N-O 3.48Å; L151-V164 PolarHBondContact O-N 2.86Å; V164-I169 HydrophobicContact CG1-CD1 3.27Å; V164-F299 HydrophobicContact CB-CZ 4.33Å; V164-F299 HydrophobicContact CG2-CE1 4.42Å; V164-F299 HydrophobicContact CG2-CE2 4.35Å; V164-F299 HydrophobicContact CG2-CZ 3.58Å; V164-V302 HydrophobicContact CB-CG2 4.28Å; V164-V302 HydrophobicContact CG1-CG2 3.89Å; V164-V302 HydrophobicContact CG2-CB 4.4Å; V164-V302 HydrophobicContact CG2-CG2 3.61Å; V164-M305 HydrophobicContact CG1-SD 4.03Å
165	D	85.4	Confident	76.6	Confident	28 Å²	28	37.8 Å²	37.8	15%	0.15	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	102	164.7	-172.9	-12.9	0	0	0	109.8	R148 V150 A167 L168 I169	R148-D165 IonicContact CZ-OD2 2.73Å; R148-D165 VanDerWaalsContact CZ-OD2 3.25Å; R148-D165 IonicContact NE-OD2 3.52Å; R148-D165 PolarHBondContact NE-OD2 2.91Å; R148-D165 VanDerWaalsContact NE-OD2 3.09Å; R148-D165 IonicContact NH2-OD2 3.94Å; R148-D165 PolarHBondContact NH2-OD2 3.06Å; V150-D165 HydrophobicContact CG1-CB 4.49Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 WeakPolarHBondContact OD1-CA 3.29Å; D165-A167 WeakPolarHBondContact OD1-CB 3.45Å; D165-A167 PolarHBondContact OD1-N 2.88Å; D165-L168 HydrophobicContact CB-CB 4Å; D165-L168 PolarHBondContact O-N 3.14Å; D165-L168 PolarHBondContact OD1-N 2.67Å; D165-I169 WeakPolarHBondContact O-CG1 3.4Å; D165-I169 PolarHBondContact O-N 3.14Å
166	L	88	Confident	77.4	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-70	-29.4	179.4	-174	58.2	0	0	0	112.2	T149 L168 I169 W170 L281 V283 W293 M305	T149-L166 HydrophobicContact CG2-CB 4.16Å; T149-L166 HydrophobicContact CG2-CD2 3.98Å; T149-L166 WeakPolarHBondContact O-CA 3.31Å; T149-L166 WeakPolarHBondContact O-CB 3.22Å; T149-L166 PolarHBondContact O-N 2.92Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-I169 PolarHBondContact O-N 2.87Å; L166-W170 WeakPolarHBondContact O-CB 3.15Å; L166-W170 PolarHBondContact O-N 3.26Å; L166-L281 HydrophobicContact CD2-CD2 3.79Å; L166-V283 HydrophobicContact CD2-CG2 3.77Å; L166-W293 HydrophobicContact CD1-CD2 4.42Å; L166-W293 HydrophobicContact CD1-CZ2 3.98Å; L166-M305 HydrophobicContact CD1-CE 3.77Å
167	A	83.8	Confident	78.7	Confident	8 Å²	8	37 Å²	37	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-39	177.2	0	0	0	0	0	111	T149 D165 Q171	T149-A167 PolarHBondContact O-N 3.49Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 WeakPolarHBondContact OD1-CA 3.29Å; D165-A167 WeakPolarHBondContact OD1-CB 3.45Å; D165-A167 PolarHBondContact OD1-N 2.88Å; A167-Q171 VanDerWaalsContact O-CB 3.27Å; A167-Q171 WeakPolarHBondContact O-CB 3.43Å; A167-Q171 PolarHBondContact O-N 3.23Å
168	L	82	Confident	80.3	Confident	32 Å²	32	34.1 Å²	34.1	17%	0.168	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-48.5	176.3	-167.4	72.9	0	0	0	112	D165 L166 W170 Q171 Q172 C201 I204	D165-L168 HydrophobicContact CB-CB 4Å; D165-L168 PolarHBondContact O-N 3.14Å; D165-L168 PolarHBondContact OD1-N 2.67Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L168-W170 PolarHBondContact O-N 3.34Å; L168-Q171 PolarHBondContact O-N 2.96Å; L168-Q172 PolarHBondContact O-N 3.18Å; L168-C201 HydrophobicContact CD2-CB 3.98Å; L168-C201 VanDerWaalsContact CD2-SG 3.51Å; L168-I204 HydrophobicContact CD1-CD1 3.26Å; L168-I204 HydrophobicContact CG-CD1 3.83Å
169	I	86.3	Confident	82	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-47.6	177.9	-62.1	167.9	0	0	0	110.4	V164 D165 L166 Q171 Q172 Y173 F194 F196 W293 V302	V164-I169 HydrophobicContact CG1-CD1 3.27Å; D165-I169 WeakPolarHBondContact O-CG1 3.4Å; D165-I169 PolarHBondContact O-N 3.14Å; L166-I169 PolarHBondContact O-N 2.87Å; I169-Q171 VanDerWaalsContact C-N 3.33Å; I169-Q171 PolarHBondContact O-N 3.31Å; I169-Q172 PolarHBondContact O-N 3.05Å; I169-Y173 PolarHBondContact O-N 3.4Å; I169-Y173 VanDerWaalsContact O-N 3.13Å; I169-F194 HydrophobicContact CG2-CE1 3.64Å; I169-F194 HydrophobicContact CG2-CZ 4.31Å; I169-F196 HydrophobicContact CB-CD2 4.11Å; I169-F196 HydrophobicContact CB-CE2 4.21Å; I169-F196 HydrophobicContact CG1-CD2 3.67Å; I169-F196 HydrophobicContact CG1-CE1 4.44Å; I169-F196 HydrophobicContact CG1-CE2 3.52Å; I169-F196 HydrophobicContact CG1-CG 4.19Å; I169-F196 HydrophobicContact CG1-CZ 3.9Å; I169-F196 HydrophobicContact CG2-CB 4.48Å; I169-F196 HydrophobicContact CG2-CD2 3.89Å; I169-F196 HydrophobicContact CG2-CE2 4.49Å; I169-F196 HydrophobicContact CG2-CG 4.38Å; I169-W293 HydrophobicContact CG2-CH2 3.57Å; I169-W293 HydrophobicContact CG2-CZ2 4.33Å; I169-W293 HydrophobicContact CG2-CZ3 4.18Å; I169-V302 HydrophobicContact CD1-CB 4.31Å; I169-V302 HydrophobicContact CD1-CG1 3.43Å; I169-V302 VanDerWaalsContact CD1-CG1 3.43Å; I169-V302 HydrophobicContact CD1-CG2 3.95Å; I169-V302 HydrophobicContact CG1-CG1 4.17Å
170	W	88.3	Confident	83	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-39.1	-179.4	178.8	-114.4	0	0	0	112.2	L166 L168 Y173 Y174 D221 M285 C291 W293 L307 V310	L166-W170 WeakPolarHBondContact O-CB 3.15Å; L166-W170 PolarHBondContact O-N 3.26Å; L168-W170 PolarHBondContact O-N 3.34Å; W170-Y173 AromaticContact CE3-CD1 3.86Å; W170-Y173 HydrophobicContact CE3-CD1 3.86Å; W170-Y173 HydrophobicContact CE3-CG 4.49Å; W170-Y173 AromaticContact CH2-CD1 3.92Å; W170-Y173 HydrophobicContact CH2-CD1 3.92Å; W170-Y173 AromaticContact CH2-CE1 3.92Å; W170-Y173 HydrophobicContact CH2-CE1 3.92Å; W170-Y173 AromaticContact CZ3-CD1 3.49Å; W170-Y173 HydrophobicContact CZ3-CD1 3.49Å; W170-Y173 VanDerWaalsContact CZ3-CD1 3.49Å; W170-Y173 AromaticContact CZ3-CE1 3.79Å; W170-Y173 HydrophobicContact CZ3-CE1 3.79Å; W170-Y173 HydrophobicContact CZ3-CG 4.37Å; W170-Y173 PolarHBondContact O-N 3.35Å; W170-Y174 WeakPolarHBondContact O-CB 3.4Å; W170-Y174 PolarHBondContact O-N 3.34Å; W170-D221 PolarHBondContact NE1-O 3.47Å; W170-M285 HydrophobicContact CD2-CE 3.7Å; W170-M285 VanDerWaalsContact CE2-CE 3.4Å; W170-M285 HydrophobicContact CE3-CE 4.42Å; W170-M285 HydrophobicContact CG-CE 3.86Å; W170-M285 HydrophobicContact CZ2-CE 3.89Å; W170-M285 HydrophobicContact CZ2-CG 4.42Å; W170-C291 HydrophobicContact CH2-CB 3.94Å; W170-C291 HydrophobicContact CZ3-CB 3.83Å; W170-W293 HydrophobicContact CE3-CZ2 4.14Å; W170-L307 HydrophobicContact CZ3-CD1 4.35Å; W170-L307 HydrophobicContact CZ3-CD2 4.27Å; W170-V310 HydrophobicContact CH2-CG1 3.81Å; W170-V310 HydrophobicContact CH2-CG2 3.93Å; W170-V310 HydrophobicContact CZ3-CG2 3.94Å
171	Q	83.1	Confident	83.5	Confident	6 Å²	6	29.1 Å²	29.1	3%	0.028	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-43.5	175.6	174.3	179.3	-19.7	0	0	112	C26 V27 A167 L168 I169 Y173 Y174 V175 I204	C26-Q171 VanDerWaalsContact CB-OE1 3.3Å; V27-Q171 HydrophobicContact CG2-CG 4.22Å; V27-Q171 VanDerWaalsContact N-CD 3.33Å; A167-Q171 VanDerWaalsContact O-CB 3.27Å; A167-Q171 WeakPolarHBondContact O-CB 3.43Å; A167-Q171 PolarHBondContact O-N 3.23Å; L168-Q171 PolarHBondContact O-N 2.96Å; I169-Q171 VanDerWaalsContact C-N 3.33Å; I169-Q171 PolarHBondContact O-N 3.31Å; Q171-Y173 VanDerWaalsContact C-N 3.32Å; Q171-Y173 PolarHBondContact O-N 2.96Å; Q171-Y174 PolarHBondContact O-N 3.2Å; Q171-Y174 VanDerWaalsContact O-N 3.13Å; Q171-V175 HydrophobicContact CG-CG2 4.25Å; Q171-V175 WeakPolarHBondContact O-CG2 3.45Å; Q171-V175 PolarHBondContact O-N 3Å; Q171-I204 HydrophobicContact CG-CG2 4.47Å
172	Q	84.1	Confident	83.4	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-49.3	176.3	-177.5	179.5	-6.5	0	0	110.5	L168 I169 Y174 V175 E176 F194 E200	L168-Q172 PolarHBondContact O-N 3.18Å; I169-Q172 PolarHBondContact O-N 3.05Å; Q172-Y174 VanDerWaalsContact C-N 3.3Å; Q172-Y174 PolarHBondContact O-N 2.73Å; Q172-V175 PolarHBondContact O-N 3.43Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.24Å; Q172-E176 PolarHBondContact NE2-OE1 3.08Å; Q172-E176 VanDerWaalsContact NE2-OE1 3.08Å; Q172-E176 WeakPolarHBondContact O-CG 3.19Å; Q172-E176 PolarHBondContact O-N 3.2Å; Q172-E176 VanDerWaalsContact O-N 3.15Å; Q172-F194 HydrophobicContact CB-CZ 4.24Å; Q172-F194 HydrophobicContact CG-CE2 4.17Å; Q172-F194 HydrophobicContact CG-CZ 4.22Å; Q172-E200 PolarHBondContact NE2-OE2 2.92Å
173	Y	87.3	Confident	83	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-56.1	-44.8	173.5	173.6	-94.7	0	0	0	112	I169 W170 Q171 E176 H177 G178 D189 P192 F194 L307 V310	I169-Y173 PolarHBondContact O-N 3.4Å; I169-Y173 VanDerWaalsContact O-N 3.13Å; W170-Y173 AromaticContact CE3-CD1 3.86Å; W170-Y173 HydrophobicContact CE3-CD1 3.86Å; W170-Y173 HydrophobicContact CE3-CG 4.49Å; W170-Y173 AromaticContact CH2-CD1 3.92Å; W170-Y173 HydrophobicContact CH2-CD1 3.92Å; W170-Y173 AromaticContact CH2-CE1 3.92Å; W170-Y173 HydrophobicContact CH2-CE1 3.92Å; W170-Y173 AromaticContact CZ3-CD1 3.49Å; W170-Y173 HydrophobicContact CZ3-CD1 3.49Å; W170-Y173 VanDerWaalsContact CZ3-CD1 3.49Å; W170-Y173 AromaticContact CZ3-CE1 3.79Å; W170-Y173 HydrophobicContact CZ3-CE1 3.79Å; W170-Y173 HydrophobicContact CZ3-CG 4.37Å; W170-Y173 PolarHBondContact O-N 3.35Å; Q171-Y173 VanDerWaalsContact C-N 3.32Å; Q171-Y173 PolarHBondContact O-N 2.96Å; Y173-E176 PolarHBondContact O-N 3.17Å; Y173-H177 HydrophobicContact CD2-CB 4.09Å; Y173-H177 HydrophobicContact CE1-CB 4.4Å; Y173-H177 HydrophobicContact CE2-CB 3.69Å; Y173-H177 WeakPolarHBondContact O-CA 3.5Å; Y173-H177 WeakPolarHBondContact O-CB 3.38Å; Y173-H177 PolarHBondContact O-N 3.44Å; Y173-G178 PolarHBondContact O-N 3.48Å; Y173-D189 PolarHBondContact OH-OD2 2.93Å; Y173-P192 HydrophobicContact CE2-CB 3.94Å; Y173-F194 HydrophobicContact CD2-CB 3.81Å; Y173-F194 HydrophobicContact CD2-CD1 4.43Å; Y173-F194 AromaticContact CD2-CD2 3.79Å; Y173-F194 HydrophobicContact CD2-CD2 3.79Å; Y173-F194 AromaticContact CD2-CG 3.74Å; Y173-F194 HydrophobicContact CD2-CG 3.74Å; Y173-F194 HydrophobicContact CE2-CB 4.29Å; Y173-F194 HydrophobicContact CG-CD2 4.43Å; Y173-F194 HydrophobicContact CG-CG 4.46Å; Y173-L307 HydrophobicContact CD1-CD2 4.19Å; Y173-L307 HydrophobicContact CD2-CD2 3.69Å; Y173-L307 HydrophobicContact CE1-CD2 4.14Å; Y173-L307 HydrophobicContact CE2-CD2 3.6Å; Y173-L307 HydrophobicContact CG-CD2 3.98Å; Y173-V310 HydrophobicContact CE1-CG2 3.88Å
174	Y	86.6	Confident	82	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-38.5	-177.5	-172.2	-91.6	0	0	0	113	W170 Q171 Q172 E176 G178 V180 L207 A218 D221 V222	W170-Y174 WeakPolarHBondContact O-CB 3.4Å; W170-Y174 PolarHBondContact O-N 3.34Å; Q171-Y174 PolarHBondContact O-N 3.2Å; Q171-Y174 VanDerWaalsContact O-N 3.13Å; Q172-Y174 VanDerWaalsContact C-N 3.3Å; Q172-Y174 PolarHBondContact O-N 2.73Å; Y174-E176 VanDerWaalsContact C-N 3.32Å; Y174-G178 WeakPolarHBondContact O-CA 3.17Å; Y174-G178 PolarHBondContact O-N 3.06Å; Y174-V180 HydrophobicContact CE1-CB 4.39Å; Y174-V180 HydrophobicContact CE1-CG2 4.26Å; Y174-L207 HydrophobicContact CE1-CD1 4.42Å; Y174-A218 HydrophobicContact CE1-CB 3.72Å; Y174-A218 WeakPolarHBondContact OH-CA 3.17Å; Y174-D221 HydrophobicContact CD2-CB 4.04Å; Y174-D221 HydrophobicContact CE2-CB 3.29Å; Y174-D221 WeakPolarHBondContact CE2-OD2 3.43Å; Y174-D221 PolarHBondContact OH-OD2 3.02Å; Y174-V222 HydrophobicContact CD1-CG1 4.06Å; Y174-V222 HydrophobicContact CD2-CG1 4.47Å; Y174-V222 HydrophobicContact CG-CG1 3.92Å
175	V	84.3	Confident	80.8	Confident	19 Å²	19	44.2 Å²	44.2	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-36.4	176.9	170.1	0	0	0	0	111.3	Q171 Q172 A181 P205 L207	Q171-V175 HydrophobicContact CG-CG2 4.25Å; Q171-V175 WeakPolarHBondContact O-CG2 3.45Å; Q171-V175 PolarHBondContact O-N 3Å; Q172-V175 PolarHBondContact O-N 3.43Å; V175-A181 WeakPolarHBondContact O-CB 3.46Å; V175-P205 HydrophobicContact CG1-CB 3.85Å; V175-P205 HydrophobicContact CG1-CG 4.29Å; V175-P205 WeakPolarHBondContact CG1-O 3.44Å; V175-L207 HydrophobicContact CG2-CB 4.22Å; V175-L207 HydrophobicContact CG2-CD1 4.4Å
176	E	82.5	Confident	79.6	Confident	78 Å²	78	44.5 Å²	44.5	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-84.5	-42.1	-178.9	-68	171.3	-167.9	0	0	113.1	Q172 Y173 Y174	Q172-E176 WeakPolarHBondContact CG-OE1 3.24Å; Q172-E176 PolarHBondContact NE2-OE1 3.08Å; Q172-E176 VanDerWaalsContact NE2-OE1 3.08Å; Q172-E176 WeakPolarHBondContact O-CG 3.19Å; Q172-E176 PolarHBondContact O-N 3.2Å; Q172-E176 VanDerWaalsContact O-N 3.15Å; Y173-E176 PolarHBondContact O-N 3.17Å; Y174-E176 VanDerWaalsContact C-N 3.32Å
177	H	84.8	Confident	79.1	Confident	67 Å²	67	48.6 Å²	48.6	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-127.9	-4.6	-166	-58.9	92.2	0	0	0	113.8	Y173 Q182	Y173-H177 HydrophobicContact CD2-CB 4.09Å; Y173-H177 HydrophobicContact CE1-CB 4.4Å; Y173-H177 HydrophobicContact CE2-CB 3.69Å; Y173-H177 WeakPolarHBondContact O-CA 3.5Å; Y173-H177 WeakPolarHBondContact O-CB 3.38Å; Y173-H177 PolarHBondContact O-N 3.44Å; H177-Q182 PolarHBondContact O-NE2 3.41Å
178	G	83.1	Confident	79	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	-70.9	174.9	-178.2	0	0	0	0	0	114	Y173 Y174 V180 A181 Q182	Y173-G178 PolarHBondContact O-N 3.48Å; Y174-G178 WeakPolarHBondContact O-CA 3.17Å; Y174-G178 PolarHBondContact O-N 3.06Å; G178-V180 VanDerWaalsContact C-N 3.32Å; G178-V180 PolarHBondContact O-N 2.96Å; G178-A181 WeakPolarHBondContact O-CB 3.44Å; G178-A181 PolarHBondContact O-N 3.43Å; G178-A181 VanDerWaalsContact O-N 3.13Å; G178-Q182 PolarHBondContact O-N 3.44Å
179	R	83.2	Confident	78.9	Confident	44 Å²	44	51.3 Å²	51.3	17%	0.166	26%	0.262	C	S	.	.	H	α-helix	trans	-50.7	-46.9	-178.5	-79.4	160.3	30.1	113	4.7	113.4	S183 D221 Y312 T315	R179-S183 PolarHBondContact O-N 3.46Å; R179-S183 VanDerWaalsContact O-N 3.14Å; R179-D221 WeakPolarHBondContact CD-OD2 3.49Å; R179-D221 IonicContact CZ-OD2 3.99Å; R179-D221 IonicContact NE-OD1 3.67Å; R179-D221 IonicContact NE-OD2 2.79Å; R179-D221 PolarHBondContact NE-OD2 2.65Å; R179-D221 IonicContact NH2-OD2 2.81Å; R179-Y312 HydrophobicContact CG-CD1 3.98Å; R179-Y312 HydrophobicContact CG-CD2 4.23Å; R179-Y312 HydrophobicContact CG-CE1 4.08Å; R179-Y312 HydrophobicContact CG-CE2 4.29Å; R179-Y312 HydrophobicContact CG-CG 4.07Å; R179-T315 VanDerWaalsContact NH1-CG2 3.33Å
180	V	79	Confident	78.5	Confident	31 Å²	31	53.5 Å²	53.5	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-45.4	-179.9	173.6	0	0	0	0	111.1	Y174 G178 Q182 S183 L207 A218	Y174-V180 HydrophobicContact CE1-CB 4.39Å; Y174-V180 HydrophobicContact CE1-CG2 4.26Å; G178-V180 VanDerWaalsContact C-N 3.32Å; G178-V180 PolarHBondContact O-N 2.96Å; V180-Q182 PolarHBondContact O-N 3.01Å; V180-S183 PolarHBondContact O-N 2.91Å; V180-L207 HydrophobicContact CB-CD1 4.19Å; V180-L207 HydrophobicContact CG1-CD1 3.91Å; V180-A218 HydrophobicContact CG2-CB 4.07Å
181	A	76.4	Confident	77.9	Confident	46 Å²	46	61.9 Å²	61.9	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-43.5	-179.9	0	0	0	0	0	111.9	V175 G178 S183	V175-A181 WeakPolarHBondContact O-CB 3.46Å; G178-A181 WeakPolarHBondContact O-CB 3.44Å; G178-A181 PolarHBondContact O-N 3.43Å; G178-A181 VanDerWaalsContact O-N 3.13Å; A181-S183 VanDerWaalsContact C-N 3.35Å; A181-S183 PolarHBondContact O-N 2.96Å
182	Q	75	Confident	77.7	Confident	66 Å²	66	62.2 Å²	62.2	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-79.1	-13.8	-177.6	-63	-165.4	14.8	0	0	114.1	H177 G178 V180 R184 V186	H177-Q182 PolarHBondContact O-NE2 3.41Å; G178-Q182 PolarHBondContact O-N 3.44Å; V180-Q182 PolarHBondContact O-N 3.01Å; Q182-R184 HydrophobicContact CB-CB 4.24Å; Q182-R184 WeakPolarHBondContact O-CG 3.46Å; Q182-R184 PolarHBondContact O-N 3.23Å; Q182-V186 HydrophobicContact CB-CG2 4.47Å
183	S	70.6	Confident	77.3	Confident	99 Å²	99	70.7 Å²	70.7	69%	0.692	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	28.3	-174.2	-62.9	0	0	0	0	113.6	R179 V180 A181	R179-S183 PolarHBondContact O-N 3.46Å; R179-S183 VanDerWaalsContact O-N 3.14Å; V180-S183 PolarHBondContact O-N 2.91Å; A181-S183 VanDerWaalsContact C-N 3.35Å; A181-S183 PolarHBondContact O-N 2.96Å
184	R	61.8	Low	76.9	Confident	179 Å²	179	71.7 Å²	71.7	68%	0.675	36%	0.356	S	S	*	.	S	Bend	trans	-118.8	147.1	-174.4	-78.9	172.7	-172.1	-169	2.1	110.1	Q182 V186	Q182-R184 HydrophobicContact CB-CB 4.24Å; Q182-R184 WeakPolarHBondContact O-CG 3.46Å; Q182-R184 PolarHBondContact O-N 3.23Å; R184-V186 HydrophobicContact CB-CG2 3.38Å; R184-V186 HydrophobicContact CG-CG2 4.5Å; R184-V186 PolarHBondContact O-N 3.2Å
185	K	61.6	Low	76.2	Confident	209 Å²	209	78.4 Å²	78.4	91%	0.909	39%	0.391	S	S	*	.			trans	-71.5	78.4	160.4	-70.5	-172.6	176.8	-170.1	0	107.8
186	V	60.8	Low	75.6	Confident	35 Å²	35	79.2 Å²	79.2	21%	0.212	39%	0.393	C	S	.	.			trans	-87.7	134.9	-178.1	-172	0	0	0	0	109.8	Q182 R184 Y312	Q182-V186 HydrophobicContact CB-CG2 4.47Å; R184-V186 HydrophobicContact CB-CG2 3.38Å; R184-V186 HydrophobicContact CG-CG2 4.5Å; R184-V186 PolarHBondContact O-N 3.2Å; V186-Y312 VanDerWaalsContact O-CB 3.32Å; V186-Y312 WeakPolarHBondContact O-CB 3.37Å
187	V	76.3	Confident	74.9	Confident	88 Å²	88	79.9 Å²	79.9	53%	0.533	40%	0.396	S	S	.	.			trans	-98.1	-50	-172.7	-171.5	0	0	0	0	110.5	Y312 T313	V187-Y312 PolarHBondContact O-N 3.31Å; V187-T313 WeakPolarHBondContact CG1-OG1 3.26Å; V187-T313 PolarHBondContact O-N 3Å; V187-T313 PolarHBondContact O-OG1 2.94Å
188	V	81.4	Confident	73.8	Confident	53 Å²	53	81.1 Å²	81.1	32%	0.321	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	136.2	-176.7	171.2	0	0	0	0	110.5	W309 V310 D311	V188-W309 HydrophobicContact CB-CZ2 4.43Å; V188-W309 HydrophobicContact CG1-CD2 4.43Å; V188-W309 HydrophobicContact CG1-CH2 3.7Å; V188-W309 HydrophobicContact CG1-CZ2 3.18Å; V188-W309 HydrophobicContact CG2-CZ2 4.38Å; V188-V310 CarbonylContact C-O 3.59Å; V188-V310 WeakPolarHBondContact CA-O 3.41Å; V188-D311 HydrophobicContact CG2-CB 4.49Å
189	D	81	Confident	72.5	Confident	44 Å²	44	86.5 Å²	86.5	24%	0.235	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.1	159.5	-171.4	-8.8	0	0	0	109.8	Y173 R191 P192 V310	Y173-D189 PolarHBondContact OH-OD2 2.93Å; D189-R191 VanDerWaalsContact OD1-C 3.29Å; D189-R191 PolarHBondContact OD1-N 3.13Å; D189-P192 WeakPolarHBondContact OD2-CA 3.45Å; D189-P192 WeakPolarHBondContact OD2-CB 3.29Å; D189-V310 HydrophobicContact CB-CB 4.22Å; D189-V310 PolarHBondContact N-O 3.3Å; D189-V310 PolarHBondContact O-N 3.4Å
190	S	77.8	Confident	71.1	Confident	49 Å²	49	87.5 Å²	87.5	34%	0.343	45%	0.449	S	S	.	.	S	Bend	trans	-90.4	-10.7	-176.8	58.1	0	0	0	0	114.2
191	R	74.9	Confident	69.9	Low	177 Å²	177	88.1 Å²	88.1	67%	0.668	46%	0.455	S	S	*	.	S	Bend	trans	-149.4	64.9	-178.8	-65	-171.8	-178.2	-179.4	0.6	110.4	D189 Q193	D189-R191 VanDerWaalsContact OD1-C 3.29Å; D189-R191 PolarHBondContact OD1-N 3.13Å; R191-Q193 PolarHBondContact O-N 3.49Å
192	P	79.7	Confident	69.1	Low	13 Å²	13	93.1 Å²	93.1	8%	0.084	48%	0.475	C	S	.	.			trans	-64.5	124.1	-179.5	24.2	-29.3	0	0	0	109.8	Y173 D189 F194 L307 L308	Y173-P192 HydrophobicContact CE2-CB 3.94Å; D189-P192 WeakPolarHBondContact OD2-CA 3.45Å; D189-P192 WeakPolarHBondContact OD2-CB 3.29Å; P192-F194 PolarHBondContact O-N 3.41Å; P192-L307 HydrophobicContact CB-CD2 3.78Å; P192-L307 HydrophobicContact CB-CG 4.07Å; P192-L307 HydrophobicContact CG-CB 4.04Å; P192-L307 HydrophobicContact CG-CD2 3.79Å; P192-L307 HydrophobicContact CG-CG 3.5Å; P192-L308 WeakPolarHBondContact CD-O 3.25Å
193	Q	75.5	Confident	68.4	Low	182 Å²	182	96.3 Å²	96.3	85%	0.85	49%	0.494	S	S	*	.			trans	-89.9	85.5	174	-67.6	-174.2	-5.6	0	0	108.7	R191	R191-Q193 PolarHBondContact O-N 3.49Å
194	F	79	Confident	68.2	Low	23 Å²	23	93.2 Å²	93.2	10%	0.101	47%	0.469	C	S	.	.			trans	-128.6	117.9	-179.3	-177	-107.3	0	0	0	110.9	I169 Q172 Y173 P192 F196 W293	I169-F194 HydrophobicContact CG2-CE1 3.64Å; I169-F194 HydrophobicContact CG2-CZ 4.31Å; Q172-F194 HydrophobicContact CB-CZ 4.24Å; Q172-F194 HydrophobicContact CG-CE2 4.17Å; Q172-F194 HydrophobicContact CG-CZ 4.22Å; Y173-F194 HydrophobicContact CD2-CB 3.81Å; Y173-F194 HydrophobicContact CD2-CD1 4.43Å; Y173-F194 AromaticContact CD2-CD2 3.79Å; Y173-F194 HydrophobicContact CD2-CD2 3.79Å; Y173-F194 AromaticContact CD2-CG 3.74Å; Y173-F194 HydrophobicContact CD2-CG 3.74Å; Y173-F194 HydrophobicContact CE2-CB 4.29Å; Y173-F194 HydrophobicContact CG-CD2 4.43Å; Y173-F194 HydrophobicContact CG-CG 4.46Å; P192-F194 PolarHBondContact O-N 3.41Å; F194-F196 HydrophobicContact CE1-CB 4.07Å; F194-F196 HydrophobicContact CE1-CD2 4.46Å; F194-F196 HydrophobicContact CZ-CB 4.46Å; F194-F196 HydrophobicContact CZ-CD2 4.31Å; F194-W293 HydrophobicContact CD1-CH2 4.35Å; F194-W293 HydrophobicContact CE1-CH2 4.42Å
195	I	72.5	Confident	68.5	Low	143 Å²	143	88 Å²	88	73%	0.733	46%	0.459	S	S	*	.			trans	-113.3	113.4	173.9	-59.6	174.6	0	0	0	106.8	Q197	I195-Q197 PolarHBondContact O-N 3.18Å
196	F	70.3	Confident	69.1	Low	36 Å²	36	81.2 Å²	81.2	16%	0.158	44%	0.437	C	S	.	.			trans	-71.7	128.1	177.2	179.9	-99.1	0	0	0	111.2	I169 F194 P198 V302	I169-F196 HydrophobicContact CB-CD2 4.11Å; I169-F196 HydrophobicContact CB-CE2 4.21Å; I169-F196 HydrophobicContact CG1-CD2 3.67Å; I169-F196 HydrophobicContact CG1-CE1 4.44Å; I169-F196 HydrophobicContact CG1-CE2 3.52Å; I169-F196 HydrophobicContact CG1-CG 4.19Å; I169-F196 HydrophobicContact CG1-CZ 3.9Å; I169-F196 HydrophobicContact CG2-CB 4.48Å; I169-F196 HydrophobicContact CG2-CD2 3.89Å; I169-F196 HydrophobicContact CG2-CE2 4.49Å; I169-F196 HydrophobicContact CG2-CG 4.38Å; F194-F196 HydrophobicContact CE1-CB 4.07Å; F194-F196 HydrophobicContact CE1-CD2 4.46Å; F194-F196 HydrophobicContact CZ-CB 4.46Å; F194-F196 HydrophobicContact CZ-CD2 4.31Å; F196-P198 HydrophobicContact CD1-CG 4.17Å; F196-P198 HydrophobicContact CE1-CB 4.16Å; F196-P198 HydrophobicContact CE1-CG 3.98Å; F196-V302 HydrophobicContact CB-CG1 3.74Å; F196-V302 HydrophobicContact CD1-CB 3.72Å; F196-V302 HydrophobicContact CD1-CG1 3.13Å; F196-V302 HydrophobicContact CD1-CG2 4.07Å; F196-V302 HydrophobicContact CD2-CG1 4.45Å; F196-V302 HydrophobicContact CE1-CB 3.99Å; F196-V302 HydrophobicContact CE1-CG1 3.72Å; F196-V302 HydrophobicContact CE1-CG2 3.81Å; F196-V302 HydrophobicContact CG-CG1 3.51Å
197	Q	68	Low	70	Confident	92 Å²	92	79.8 Å²	79.8	43%	0.43	43%	0.428	S	S	.	.			trans	-108.3	111.2	173.1	-59.1	-171.1	28.4	0	0	110.2	I195 T199 E200	I195-Q197 PolarHBondContact O-N 3.18Å; Q197-T199 PolarHBondContact O-N 3.33Å; Q197-T199 VanDerWaalsContact O-N 3.08Å; Q197-E200 HydrophobicContact CB-CG 4.02Å; Q197-E200 PolarHBondContact O-N 2.9Å; Q197-E200 VanDerWaalsContact O-N 3.08Å; Q197-E200 PolarHBondContact OE1-OE1 3.01Å
198	P	62.6	Low	70	Confident	93 Å²	93	80.7 Å²	80.7	60%	0.604	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31	-178.8	-24.6	32.4	0	0	0	114.1	F196 E200 C201	F196-P198 HydrophobicContact CD1-CG 4.17Å; F196-P198 HydrophobicContact CE1-CB 4.16Å; F196-P198 HydrophobicContact CE1-CG 3.98Å; P198-E200 PolarHBondContact O-N 3.34Å; P198-C201 PolarHBondContact O-N 3.31Å; P198-C201 PolarHBondContact O-SG 2.87Å
199	T	55.6	Low	70	Confident	115 Å²	115	78.2 Å²	78.2	71%	0.706	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.2	-179.9	39.2	0	0	0	0	114	Q197	Q197-T199 PolarHBondContact O-N 3.33Å; Q197-T199 VanDerWaalsContact O-N 3.08Å
200	E	53.4	Low	69.7	Low	65 Å²	65	83.6 Å²	83.6	30%	0.304	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-88.7	-4.8	-176	-65.2	176.9	158.7	0	0	113.4	Q172 Q197 P198 N202 N203 I204	Q172-E200 PolarHBondContact NE2-OE2 2.92Å; Q197-E200 HydrophobicContact CB-CG 4.02Å; Q197-E200 PolarHBondContact O-N 2.9Å; Q197-E200 VanDerWaalsContact O-N 3.08Å; Q197-E200 PolarHBondContact OE1-OE1 3.01Å; P198-E200 PolarHBondContact O-N 3.34Å; E200-N202 PolarHBondContact O-N 3.45Å; E200-N202 VanDerWaalsContact O-N 3.12Å; E200-N203 CarbonylContact O-C 3.51Å; E200-N203 VanDerWaalsContact O-C 3.28Å; E200-N203 PolarHBondContact O-N 3.03Å; E200-I204 PolarHBondContact O-N 2.69Å
201	C	54.2	Low	69.6	Low	44 Å²	44	84.3 Å²	84.3	30%	0.297	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-57.3	-32	-180	-65.8	0	0	0	0	113.4	L168 P198 N203	L168-C201 HydrophobicContact CD2-CB 3.98Å; L168-C201 VanDerWaalsContact CD2-SG 3.51Å; P198-C201 PolarHBondContact O-N 3.31Å; P198-C201 PolarHBondContact O-SG 2.87Å; C201-N203 VanDerWaalsContact C-N 3.28Å
202	N	59	Low	69.6	Low	151 Å²	151	79.4 Å²	79.4	81%	0.807	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-76.3	-17.1	178.2	-69.6	-18	0	0	0	112.9	E200	E200-N202 PolarHBondContact O-N 3.45Å; E200-N202 VanDerWaalsContact O-N 3.12Å
203	N	61.2	Low	69.4	Low	132 Å²	132	83 Å²	83	71%	0.706	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-132.9	41.2	-170.6	-70	-14.4	0	0	0	111.9	E200 C201 P205	E200-N203 CarbonylContact O-C 3.51Å; E200-N203 VanDerWaalsContact O-C 3.28Å; E200-N203 PolarHBondContact O-N 3.03Å; C201-N203 VanDerWaalsContact C-N 3.28Å; N203-P205 WeakPolarHBondContact O-CD 3.38Å
204	I	65.5	Low	69.6	Low	35 Å²	35	76.9 Å²	76.9	18%	0.179	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-60.1	125.7	171.1	-61.3	178	0	0	0	107.6	L168 Q171 E200 S206	L168-I204 HydrophobicContact CD1-CD1 3.26Å; L168-I204 HydrophobicContact CG-CD1 3.83Å; Q171-I204 HydrophobicContact CG-CG2 4.47Å; E200-I204 PolarHBondContact O-N 2.69Å; I204-S206 PolarHBondContact O-N 3.32Å
205	P	67.5	Low	69.7	Low	69 Å²	69	76 Å²	76	45%	0.448	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-56.5	139.8	177.9	-19	28.3	0	0	0	110.3	V175 N203 L207	V175-P205 HydrophobicContact CG1-CB 3.85Å; V175-P205 HydrophobicContact CG1-CG 4.29Å; V175-P205 WeakPolarHBondContact CG1-O 3.44Å; N203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-L207 PolarHBondContact O-N 2.92Å
206	S	74	Confident	70.1	Confident	66 Å²	66	72 Å²	72	46%	0.462	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-61.9	129.7	173.6	-67.8	0	0	0	0	109.8	T22 I204 I208	T22-S206 PolarHBondContact O-OG 2.93Å; I204-S206 PolarHBondContact O-N 3.32Å; S206-I208 PolarHBondContact O-N 3.47Å
207	L	79.8	Confident	70.6	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.026	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-62.1	127.1	167.4	-179.8	69.9	0	0	0	108.7	C21 T22 V27 Y174 V175 V180 P205 Y215 A218	C21-L207 WeakPolarHBondContact CA-O 3.32Å; C21-L207 VanDerWaalsContact CB-O 3.26Å; C21-L207 WeakPolarHBondContact CB-O 3.47Å; T22-L207 HydrophobicContact CG2-CB 4.04Å; V27-L207 HydrophobicContact CG2-CB 4.47Å; V27-L207 HydrophobicContact CG2-CD2 4.41Å; Y174-L207 HydrophobicContact CE1-CD1 4.42Å; V175-L207 HydrophobicContact CG2-CB 4.22Å; V175-L207 HydrophobicContact CG2-CD1 4.4Å; V180-L207 HydrophobicContact CB-CD1 4.19Å; V180-L207 HydrophobicContact CG1-CD1 3.91Å; P205-L207 PolarHBondContact O-N 2.92Å; L207-Y215 HydrophobicContact CD2-CD2 4.36Å; L207-A218 HydrophobicContact CD2-CB 3.49Å; L207-A218 VanDerWaalsContact CD2-CB 3.49Å
208	I	78.2	Confident	71.4	Confident	107 Å²	107	66.3 Å²	66.3	55%	0.549	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.6	176.8	-57.4	177.4	0	0	0	109.4	H19 I20 C21 S206	H19-I208 HydrophobicContact CB-CG2 3.87Å; I20-I208 CarbonylContact O-C 3.53Å; I20-I208 WeakPolarHBondContact O-CA 2.85Å; C21-I208 HydrophobicContact CB-CG1 4.43Å; S206-I208 PolarHBondContact O-N 3.47Å
209	C	79.5	Confident	72.2	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.1	178.7	-63.1	0	0	0	0	111.2	I20 D214	I20-C209 HydrophobicContact CB-CB 4.24Å; I20-C209 PolarHBondContact N-O 3.01Å; I20-C209 PolarHBondContact O-N 3.44Å; C209-D214 HydrophobicContact CB-CB 4.13Å
210	K	75.2	Confident	73.6	Confident	157 Å²	157	59 Å²	59	68%	0.683	31%	0.31	S	S	*	.	S	Bend	trans	-83.3	-29.3	177.6	-69.8	-179.5	-179.2	173	0	112.7
211	N	75.3	Confident	75.2	Confident	65 Å²	65	55.9 Å²	55.9	35%	0.348	30%	0.295	S	S	.	.	S	Bend	trans	-142.5	165.3	179.2	72.6	61.7	0	0	0	110.8	I20 M213 D214 Y215	I20-N211 VanDerWaalsContact CD1-C 3.45Å; N211-M213 VanDerWaalsContact C-N 3.29Å; N211-M213 PolarHBondContact O-N 3.13Å; N211-M213 WeakPolarHBondContact OD1-CA 3.32Å; N211-M213 VanDerWaalsContact OD1-CB 3.28Å; N211-M213 WeakPolarHBondContact OD1-CB 3.29Å; N211-M213 PolarHBondContact OD1-N 3.24Å; N211-D214 VanDerWaalsContact CG-CG 3.44Å; N211-D214 PolarHBondContact ND2-OD1 3.5Å; N211-D214 PolarHBondContact ND2-OD2 3.14Å; N211-D214 PolarHBondContact O-N 3.11Å; N211-D214 PolarHBondContact OD1-N 2.81Å; N211-D214 PolarHBondContact OD1-OD1 3.38Å; N211-Y215 PolarHBondContact O-N 3.27Å
212	I	74.8	Confident	76.6	Confident	73 Å²	73	54.1 Å²	54.1	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-70.1	-25.5	-176.1	-161.3	173	0	0	0	113.1	I20 Y215 F216	I20-I212 HydrophobicContact CD1-CB 3.6Å; I20-I212 HydrophobicContact CD1-CG1 4.07Å; I212-Y215 PolarHBondContact O-N 3.45Å; I212-F216 HydrophobicContact CD1-CE2 3.84Å; I212-F216 HydrophobicContact CD1-CZ 3.97Å; I212-F216 HydrophobicContact CG1-CD2 4.1Å; I212-F216 HydrophobicContact CG1-CE2 3.6Å; I212-F216 HydrophobicContact CG1-CZ 3.98Å; I212-F216 WeakPolarHBondContact O-CD2 3.49Å; I212-F216 WeakPolarHBondContact O-CG 3.44Å; I212-F216 PolarHBondContact O-N 3.4Å
213	M	77.1	Confident	77.7	Confident	89 Å²	89	47.2 Å²	47.2	44%	0.438	25%	0.246	S	C	.	.	H	α-helix	trans	-71.1	-43.5	177.8	-57.1	-64	-90.9	0	0	110.7	N211 Y215 F216 D217 R318	N211-M213 VanDerWaalsContact C-N 3.29Å; N211-M213 PolarHBondContact O-N 3.13Å; N211-M213 WeakPolarHBondContact OD1-CA 3.32Å; N211-M213 VanDerWaalsContact OD1-CB 3.28Å; N211-M213 WeakPolarHBondContact OD1-CB 3.29Å; N211-M213 PolarHBondContact OD1-N 3.24Å; M213-Y215 PolarHBondContact O-N 3Å; M213-F216 PolarHBondContact O-N 2.96Å; M213-F216 VanDerWaalsContact O-N 3.14Å; M213-D217 PolarHBondContact O-N 3.41Å; M213-R318 HydrophobicContact CE-CB 3.79Å; M213-R318 HydrophobicContact CE-CG 4.43Å
214	D	78.6	Confident	79	Confident	53 Å²	53	41 Å²	41	28%	0.283	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-39.9	173.5	-59.6	-13.1	0	0	0	110.9	C209 N211 D217 A218	C209-D214 HydrophobicContact CB-CB 4.13Å; N211-D214 VanDerWaalsContact CG-CG 3.44Å; N211-D214 PolarHBondContact ND2-OD1 3.5Å; N211-D214 PolarHBondContact ND2-OD2 3.14Å; N211-D214 PolarHBondContact O-N 3.11Å; N211-D214 PolarHBondContact OD1-N 2.81Å; N211-D214 PolarHBondContact OD1-OD1 3.38Å; D214-D217 PolarHBondContact O-N 2.9Å; D214-A218 WeakPolarHBondContact O-CB 3.28Å; D214-A218 PolarHBondContact O-N 3.49Å
215	Y	80.7	Confident	79.8	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-43.7	176.8	175.2	-98.1	0	0	0	111.9	I20 D32 I34 L207 N211 I212 M213 D217 A218 I219	I20-Y215 HydrophobicContact CG2-CD1 4.48Å; I20-Y215 HydrophobicContact CG2-CD2 4.06Å; I20-Y215 HydrophobicContact CG2-CG 3.91Å; D32-Y215 PolarHBondContact OD2-OH 3.06Å; I34-Y215 HydrophobicContact CD1-CD1 3.9Å; I34-Y215 HydrophobicContact CD1-CE1 3.29Å; I34-Y215 HydrophobicContact CG1-CD1 4.36Å; I34-Y215 HydrophobicContact CG1-CE1 3.47Å; I34-Y215 VanDerWaalsContact CG1-CE1 3.47Å; I34-Y215 HydrophobicContact CG2-CE1 4.45Å; L207-Y215 HydrophobicContact CD2-CD2 4.36Å; N211-Y215 PolarHBondContact O-N 3.27Å; I212-Y215 PolarHBondContact O-N 3.45Å; M213-Y215 PolarHBondContact O-N 3Å; Y215-D217 VanDerWaalsContact C-N 3.31Å; Y215-D217 PolarHBondContact O-N 3.34Å; Y215-A218 WeakPolarHBondContact O-CB 3.37Å; Y215-A218 PolarHBondContact O-N 3.2Å; Y215-I219 HydrophobicContact CD1-CD1 3.77Å; Y215-I219 HydrophobicContact CD1-CG1 4.49Å; Y215-I219 HydrophobicContact CE1-CD1 3.14Å; Y215-I219 HydrophobicContact CE1-CG1 4Å; Y215-I219 HydrophobicContact CE2-CD1 4.46Å; Y215-I219 WeakPolarHBondContact O-CG1 3.42Å; Y215-I219 PolarHBondContact O-N 3.29Å
216	F	80.8	Confident	80.8	Confident	60 Å²	60	39.6 Å²	39.6	26%	0.263	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-34.1	175.1	-69.5	-49.4	0	0	0	112.7	I212 M213 I219 E220 R318	I212-F216 HydrophobicContact CD1-CE2 3.84Å; I212-F216 HydrophobicContact CD1-CZ 3.97Å; I212-F216 HydrophobicContact CG1-CD2 4.1Å; I212-F216 HydrophobicContact CG1-CE2 3.6Å; I212-F216 HydrophobicContact CG1-CZ 3.98Å; I212-F216 WeakPolarHBondContact O-CD2 3.49Å; I212-F216 WeakPolarHBondContact O-CG 3.44Å; I212-F216 PolarHBondContact O-N 3.4Å; M213-F216 PolarHBondContact O-N 2.96Å; M213-F216 VanDerWaalsContact O-N 3.14Å; F216-I219 HydrophobicContact CD1-CD1 4.07Å; F216-I219 PolarHBondContact O-N 3.48Å; F216-E220 WeakPolarHBondContact O-CG 3.33Å; F216-E220 PolarHBondContact O-N 2.8Å; F216-R318 VanDerWaalsContact CB-CZ 3.43Å; F216-R318 VanDerWaalsContact CB-NH1 3.34Å; F216-R318 PolarHBondContact O-NH1 3.47Å
217	D	82.1	Confident	81.6	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-39.3	174.6	-70.3	-6.5	0	0	0	110.5	M213 D214 Y215 I219 E220 D221 V317 R318	M213-D217 PolarHBondContact O-N 3.41Å; D214-D217 PolarHBondContact O-N 2.9Å; Y215-D217 VanDerWaalsContact C-N 3.31Å; Y215-D217 PolarHBondContact O-N 3.34Å; D217-I219 PolarHBondContact O-N 2.84Å; D217-E220 PolarHBondContact O-N 3.37Å; D217-E220 VanDerWaalsContact O-N 3.14Å; D217-D221 PolarHBondContact O-N 3.44Å; D217-V317 WeakPolarHBondContact OD2-CG1 3.41Å; D217-R318 WeakPolarHBondContact OD1-CD 3.5Å; D217-R318 VanDerWaalsContact OD1-CG 3.28Å; D217-R318 WeakPolarHBondContact OD1-CG 3.2Å; D217-R318 IonicContact OD1-CZ 3.25Å; D217-R318 IonicContact OD1-NH1 3.09Å; D217-R318 PolarHBondContact OD1-NH1 3.35Å
218	A	83.5	Confident	82.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-41.5	172.5	0	0	0	0	0	112.9	Y174 V180 L207 D214 Y215 E220 D221 V222	Y174-A218 HydrophobicContact CE1-CB 3.72Å; Y174-A218 WeakPolarHBondContact OH-CA 3.17Å; V180-A218 HydrophobicContact CG2-CB 4.07Å; L207-A218 HydrophobicContact CD2-CB 3.49Å; L207-A218 VanDerWaalsContact CD2-CB 3.49Å; D214-A218 WeakPolarHBondContact O-CB 3.28Å; D214-A218 PolarHBondContact O-N 3.49Å; Y215-A218 WeakPolarHBondContact O-CB 3.37Å; Y215-A218 PolarHBondContact O-N 3.2Å; A218-E220 VanDerWaalsContact C-N 3.28Å; A218-E220 PolarHBondContact O-N 3.24Å; A218-D221 PolarHBondContact O-N 3.48Å; A218-V222 WeakPolarHBondContact O-CG2 3.18Å; A218-V222 PolarHBondContact O-N 2.86Å
219	I	81.3	Confident	82.6	Confident	32 Å²	32	31.5 Å²	31.5	16%	0.164	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-43.4	173.2	-70.8	165.6	0	0	0	110.6	V27 Y215 F216 D217 D221 V222 V223	V27-I219 HydrophobicContact CG1-CG1 3.87Å; Y215-I219 HydrophobicContact CD1-CD1 3.77Å; Y215-I219 HydrophobicContact CD1-CG1 4.49Å; Y215-I219 HydrophobicContact CE1-CD1 3.14Å; Y215-I219 HydrophobicContact CE1-CG1 4Å; Y215-I219 HydrophobicContact CE2-CD1 4.46Å; Y215-I219 WeakPolarHBondContact O-CG1 3.42Å; Y215-I219 PolarHBondContact O-N 3.29Å; F216-I219 HydrophobicContact CD1-CD1 4.07Å; F216-I219 PolarHBondContact O-N 3.48Å; D217-I219 PolarHBondContact O-N 2.84Å; I219-D221 VanDerWaalsContact C-N 3.31Å; I219-D221 PolarHBondContact O-N 3.41Å; I219-V222 WeakPolarHBondContact O-CG2 3.35Å; I219-V222 PolarHBondContact O-N 3.44Å; I219-V223 HydrophobicContact CG2-CG2 4.02Å; I219-V223 WeakPolarHBondContact O-CB 3.48Å; I219-V223 WeakPolarHBondContact O-CG2 3.29Å; I219-V223 PolarHBondContact O-N 3.13Å; I219-V223 VanDerWaalsContact O-N 3.07Å
220	E	83.9	Confident	83	Confident	22 Å²	22	31.9 Å²	31.9	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-70.1	-29.4	-179.9	-64	-163.5	165.2	0	0	113.1	F216 D217 A218 V222 K286 S287 R318	F216-E220 WeakPolarHBondContact O-CG 3.33Å; F216-E220 PolarHBondContact O-N 2.8Å; D217-E220 PolarHBondContact O-N 3.37Å; D217-E220 VanDerWaalsContact O-N 3.14Å; A218-E220 VanDerWaalsContact C-N 3.28Å; A218-E220 PolarHBondContact O-N 3.24Å; E220-V222 VanDerWaalsContact C-N 3.29Å; E220-V222 PolarHBondContact O-N 3.38Å; E220-K286 HydrophobicContact CB-CB 4.29Å; E220-K286 HydrophobicContact CB-CG 4.41Å; E220-K286 HydrophobicContact CG-CD 4.05Å; E220-K286 HydrophobicContact CG-CG 4.31Å; E220-K286 WeakPolarHBondContact O-CB 3.43Å; E220-K286 PolarHBondContact O-N 3.17Å; E220-K286 VanDerWaalsContact O-N 3.12Å; E220-K286 IonicContact OE1-NZ 2.63Å; E220-K286 PolarHBondContact OE1-NZ 3.48Å; E220-S287 PolarHBondContact O-N 3.38Å; E220-R318 VanDerWaalsContact CD-NH2 3.35Å; E220-R318 IonicContact OE1-CZ 3.82Å; E220-R318 IonicContact OE1-NH1 2.67Å; E220-R318 IonicContact OE1-NH2 3.77Å; E220-R318 PolarHBondContact OE1-NH2 3Å; E220-R318 IonicContact OE2-NH1 3.3Å; E220-R318 IonicContact OE2-NH2 2.82Å
221	D	86.9	Confident	83.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.6	-18.9	175.3	-78.8	-27.2	0	0	0	113.6	W170 Y174 R179 D217 A218 I219 M285 S287 T315	W170-D221 PolarHBondContact NE1-O 3.47Å; Y174-D221 HydrophobicContact CD2-CB 4.04Å; Y174-D221 HydrophobicContact CE2-CB 3.29Å; Y174-D221 WeakPolarHBondContact CE2-OD2 3.43Å; Y174-D221 PolarHBondContact OH-OD2 3.02Å; R179-D221 WeakPolarHBondContact CD-OD2 3.49Å; R179-D221 IonicContact CZ-OD2 3.99Å; R179-D221 IonicContact NE-OD1 3.67Å; R179-D221 IonicContact NE-OD2 2.79Å; R179-D221 PolarHBondContact NE-OD2 2.65Å; R179-D221 IonicContact NH2-OD2 2.81Å; D217-D221 PolarHBondContact O-N 3.44Å; A218-D221 PolarHBondContact O-N 3.48Å; I219-D221 VanDerWaalsContact C-N 3.31Å; I219-D221 PolarHBondContact O-N 3.41Å; D221-M285 VanDerWaalsContact O-CG 3.23Å; D221-M285 WeakPolarHBondContact O-CG 3.39Å; D221-S287 WeakPolarHBondContact OD1-CB 3.4Å; D221-S287 PolarHBondContact OD1-OG 3.09Å; D221-T315 WeakPolarHBondContact OD1-CG2 3.43Å
222	V	83.9	Confident	83.2	Confident	7 Å²	7	23.7 Å²	23.7	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-107.3	-16.4	178.5	-59.1	0	0	0	0	114	V27 Y174 A218 I219 E220 V224	V27-V222 HydrophobicContact CB-CG2 3.89Å; V27-V222 HydrophobicContact CG1-CG2 3.67Å; V27-V222 VanDerWaalsContact O-CG2 3.31Å; V27-V222 WeakPolarHBondContact O-CG2 3.49Å; Y174-V222 HydrophobicContact CD1-CG1 4.06Å; Y174-V222 HydrophobicContact CD2-CG1 4.47Å; Y174-V222 HydrophobicContact CG-CG1 3.92Å; A218-V222 WeakPolarHBondContact O-CG2 3.18Å; A218-V222 PolarHBondContact O-N 2.86Å; I219-V222 WeakPolarHBondContact O-CG2 3.35Å; I219-V222 PolarHBondContact O-N 3.44Å; E220-V222 VanDerWaalsContact C-N 3.29Å; E220-V222 PolarHBondContact O-N 3.38Å; V222-V224 PolarHBondContact O-N 3.23Å
223	V	83.1	Confident	82.6	Confident	7 Å²	7	25.7 Å²	25.7	4%	0.042	13%	0.133	C	C	.	.	S	Bend	trans	-77.1	112.1	176.4	166.3	0	0	0	0	109.8	N147 I219 M285 K286	N147-V223 HydrophobicContact CB-CB 4.45Å; N147-V223 HydrophobicContact CB-CG1 3.86Å; N147-V223 HydrophobicContact CB-CG2 4.08Å; I219-V223 HydrophobicContact CG2-CG2 4.02Å; I219-V223 WeakPolarHBondContact O-CB 3.48Å; I219-V223 WeakPolarHBondContact O-CG2 3.29Å; I219-V223 PolarHBondContact O-N 3.13Å; I219-V223 VanDerWaalsContact O-N 3.07Å; V223-M285 CarbonylContact O-C 3.56Å; V223-M285 VanDerWaalsContact O-CA 3.32Å; V223-M285 WeakPolarHBondContact O-CA 3.31Å; V223-K286 HydrophobicContact CB-CB 4.02Å; V223-K286 HydrophobicContact CB-CD 4.48Å; V223-K286 HydrophobicContact CG1-CB 3.86Å; V223-K286 HydrophobicContact CG1-CD 4.04Å; V223-K286 PolarHBondContact O-N 3.05Å
224	V	86.5	Confident	81.9	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.8	176.4	178.2	0	0	0	0	111	T149 V222 T227 V283 M285	T149-V224 HydrophobicContact CG2-CG1 4.48Å; T149-V224 WeakPolarHBondContact OG1-CB 3.29Å; T149-V224 WeakPolarHBondContact OG1-CG1 3.36Å; T149-V224 WeakPolarHBondContact OG1-CG2 3.29Å; V222-V224 PolarHBondContact O-N 3.23Å; V224-T227 HydrophobicContact CG1-CG2 3.86Å; V224-V283 HydrophobicContact CB-CG1 4.23Å; V224-V283 HydrophobicContact CG1-CG1 3.59Å; V224-V283 HydrophobicContact CG2-CG1 3.66Å; V224-M285 HydrophobicContact CG2-CE 4.28Å; V224-M285 HydrophobicContact CG2-SD 3.79Å
225	V	83.9	Confident	80.2	Confident	38 Å²	38	30 Å²	30	23%	0.23	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-41.4	174.1	172	0	0	0	0	112	L124 L284 K286	L124-V225 WeakPolarHBondContact CD2-O 3.36Å; V225-L284 HydrophobicContact CB-CD2 4.39Å; V225-L284 HydrophobicContact CB-CG 4.45Å; V225-L284 HydrophobicContact CG1-CD2 4.28Å; V225-L284 PolarHBondContact N-O 3.24Å; V225-K286 HydrophobicContact CG2-CB 3.65Å; V225-K286 HydrophobicContact CG2-CG 4.2Å
226	Y	87.4	Confident	78.2	Confident	35 Å²	35	33.9 Å²	33.9	14%	0.137	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.2	-176	-151.7	-89.3	0	0	0	112.4	L124 V283 L284 Y328 I329 L386	L124-Y226 HydrophobicContact CD1-CD2 4.26Å; L124-Y226 HydrophobicContact CD1-CE2 4.04Å; L124-Y226 VanDerWaalsContact CD2-CA 3.49Å; L124-Y226 HydrophobicContact CD2-CD2 3.88Å; L124-Y226 HydrophobicContact CD2-CE2 4.39Å; L124-Y226 HydrophobicContact CD2-CG 4.09Å; Y226-V283 WeakPolarHBondContact O-CA 3.48Å; Y226-L284 PolarHBondContact N-O 3.32Å; Y226-L284 PolarHBondContact O-N 3.29Å; Y226-Y328 HydrophobicContact CD2-CD2 4.39Å; Y226-Y328 HydrophobicContact CE1-CD2 4.25Å; Y226-Y328 AromaticContact CE1-CE2 3.94Å; Y226-Y328 HydrophobicContact CE1-CE2 3.94Å; Y226-Y328 AromaticContact CE2-CD2 3.94Å; Y226-Y328 HydrophobicContact CE2-CD2 3.94Å; Y226-Y328 HydrophobicContact CE2-CE2 4.07Å; Y226-Y328 AromaticContact CZ-CD2 3.88Å; Y226-Y328 AromaticContact CZ-CE2 3.56Å; Y226-Y328 WeakPolarHBondContact OH-CE2 3.42Å; Y226-I329 HydrophobicContact CD1-CG1 3.98Å; Y226-I329 VanDerWaalsContact CD1-O 3.22Å; Y226-I329 WeakPolarHBondContact CD1-O 3.41Å; Y226-I329 WeakPolarHBondContact CE1-O 3.32Å; Y226-L386 PolarHBondContact OH-O 3.32Å
227	T	90.4	Very high	76.2	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.2	172.6	54.3	0	0	0	0	110.3	S126 S141 T149 V224 A282 V283	S126-T227 WeakPolarHBondContact CB-O 3.33Å; S126-T227 WeakPolarHBondContact CB-OG1 3.4Å; S126-T227 PolarHBondContact OG-O 2.8Å; S141-T227 WeakPolarHBondContact OG-CB 3.33Å; S141-T227 PolarHBondContact OG-OG1 2.82Å; T149-T227 HydrophobicContact CG2-CG2 3.98Å; V224-T227 HydrophobicContact CG1-CG2 3.86Å; T227-A282 CarbonylContact C-O 3.56Å; T227-A282 WeakPolarHBondContact CA-O 3.09Å; T227-V283 HydrophobicContact CG2-CG1 4.25Å; T227-V283 HydrophobicContact CG2-CG2 4.4Å
228	S	90.8	Very high	73.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.4	-179.8	171.8	0	0	0	0	111	L281 A282 K330 L331	S228-L281 CarbonylContact O-C 3.58Å; S228-L281 WeakPolarHBondContact O-CA 3.43Å; S228-A282 PolarHBondContact N-O 3.35Å; S228-A282 PolarHBondContact O-N 3.4Å; S228-K330 WeakPolarHBondContact OG-CA 3.27Å; S228-K330 WeakPolarHBondContact OG-CD 3.28Å; S228-L331 PolarHBondContact OG-N 2.9Å
229	W	88.9	Confident	71.5	Confident	9 Å²	9	57.4 Å²	57.4	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	151.8	173.9	-63.4	89.5	0	0	0	113.3	S126 W127 S128 P129 I139 S141 L151 T279 F280 L281 V295	S126-W229 PolarHBondContact O-NE1 2.85Å; W127-W229 WeakPolarHBondContact O-CB 3.29Å; S128-W229 VanDerWaalsContact CA-CG 3.44Å; P129-W229 VanDerWaalsContact CD-CB 3.43Å; P129-W229 HydrophobicContact CG-CB 4.47Å; I139-W229 HydrophobicContact CD1-CH2 3.44Å; I139-W229 VanDerWaalsContact CD1-CH2 3.44Å; I139-W229 HydrophobicContact CD1-CZ2 3.94Å; I139-W229 HydrophobicContact CD1-CZ3 4.13Å; I139-W229 HydrophobicContact CG1-CH2 3.96Å; I139-W229 HydrophobicContact CG1-CZ2 4.07Å; S141-W229 PolarHBondContact OG-NE1 3.41Å; L151-W229 HydrophobicContact CD1-CH2 4.31Å; L151-W229 HydrophobicContact CD2-CH2 4.41Å; L151-W229 HydrophobicContact CD2-CZ2 3.86Å; W229-T279 HydrophobicContact CE3-CG2 3.57Å; W229-T279 HydrophobicContact CZ3-CG2 3.76Å; W229-F280 CarbonylContact C-O 3.4Å; W229-F280 WeakPolarHBondContact CA-O 3.35Å; W229-L281 HydrophobicContact CD2-CB 4.28Å; W229-L281 HydrophobicContact CD2-CD1 3.75Å; W229-L281 VanDerWaalsContact CE2-CD1 3.49Å; W229-L281 HydrophobicContact CE3-CB 3.96Å; W229-L281 HydrophobicContact CE3-CD1 4.3Å; W229-L281 HydrophobicContact CG-CD1 4.1Å; W229-L281 HydrophobicContact CH2-CB 4.12Å; W229-L281 HydrophobicContact CH2-CD1 4.33Å; W229-L281 HydrophobicContact CH2-CD2 4.07Å; W229-L281 HydrophobicContact CH2-CG 4.39Å; W229-L281 HydrophobicContact CZ2-CB 4.45Å; W229-L281 HydrophobicContact CZ2-CD1 3.82Å; W229-L281 HydrophobicContact CZ2-CD2 4.03Å; W229-L281 HydrophobicContact CZ2-CG 4.3Å; W229-L281 HydrophobicContact CZ3-CB 3.89Å; W229-V295 HydrophobicContact CH2-CG2 4.19Å; W229-V295 HydrophobicContact CZ3-CB 4.21Å; W229-V295 HydrophobicContact CZ3-CG1 4.38Å; W229-V295 HydrophobicContact CZ3-CG2 3.77Å
230	C	87.8	Confident	69.2	Low	8 Å²	8	59.4 Å²	59.4	5%	0.054	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.2	171.9	-176.9	0	0	0	0	109.6	T279 F280 L331 D333	C230-T279 CarbonylContact O-C 3.6Å; C230-T279 WeakPolarHBondContact O-CA 3.35Å; C230-F280 HydrophobicContact CB-CB 4.4Å; C230-F280 PolarHBondContact N-O 2.99Å; C230-F280 PolarHBondContact O-N 3.37Å; C230-L331 HydrophobicContact CB-CB 4Å; C230-L331 HydrophobicContact CB-CD2 3.82Å; C230-L331 HydrophobicContact CB-CG 3.81Å; C230-L331 WeakPolarHBondContact CB-O 3.4Å; C230-D333 PolarHBondContact SG-N 2.81Å
231	Q	82	Confident	66.6	Low	46 Å²	46	65.3 Å²	65.3	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140	171.9	170.1	-178.7	52.4	0	0	108.6	P129 R130 V233 P277	P129-Q231 HydrophobicContact CB-CB 3.42Å; P129-Q231 VanDerWaalsContact CB-CB 3.42Å; P129-Q231 HydrophobicContact CB-CG 4.29Å; P129-Q231 HydrophobicContact CG-CB 3.4Å; R130-Q231 PolarHBondContact O-NE2 2.71Å; R130-Q231 PolarHBondContact O-OE1 3.13Å; Q231-V233 HydrophobicContact CG-CG2 4.24Å; Q231-P277 HydrophobicContact CG-CB 4.16Å
232	I	72	Confident	63.9	Low	5 Å²	5	72.8 Å²	72.8	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.9	171.8	-56.9	-177.2	0	0	0	108.2	R234 P277 V278 F280 D333 L339 I357	I232-R234 HydrophobicContact CG2-CG 3.65Å; I232-P277 WeakPolarHBondContact O-CA 3.38Å; I232-V278 PolarHBondContact N-O 3.08Å; I232-V278 PolarHBondContact O-N 3.29Å; I232-F280 HydrophobicContact CD1-CD2 4.4Å; I232-F280 HydrophobicContact CD1-CE2 3.54Å; I232-F280 HydrophobicContact CD1-CZ 4.19Å; I232-F280 HydrophobicContact CG1-CD2 4.35Å; I232-F280 HydrophobicContact CG1-CE2 3.8Å; I232-D333 HydrophobicContact CG1-CB 4.38Å; I232-L339 HydrophobicContact CD1-CD2 3.7Å; I232-L339 HydrophobicContact CD1-CG 4.11Å; I232-L339 HydrophobicContact CG1-CD2 4.13Å; I232-I357 HydrophobicContact CD1-CD1 3.05Å
233	V	62.7	Low	61.3	Low	114 Å²	114	76 Å²	76	69%	0.691	39%	0.387	S	S	*	.			trans	-95.2	98.2	175.7	-174.2	0	0	0	0	108	Q231	Q231-V233 HydrophobicContact CG-CG2 4.24Å
234	R	62.3	Low	58.6	Low	50 Å²	50	84.3 Å²	84.3	19%	0.189	43%	0.427	C	S	.	.			trans	-90.1	144.8	-174.4	-59.3	178.7	-163.1	-138.1	-8.6	112.2	I232 Y359	I232-R234 HydrophobicContact CG2-CG 3.65Å; R234-Y359 WeakPolarHBondContact CD-OH 3.24Å; R234-Y359 PolarHBondContact NE-OH 3.19Å; R234-Y359 VanDerWaalsContact NE-OH 3.09Å; R234-Y359 PolarHBondContact NH1-OH 2.76Å
235	Q	44	Very low	55.7	Low	183 Å²	183	91 Å²	91	86%	0.855	46%	0.462	S	S	*	.			trans	-119.2	132.8	143.4	-75.1	-175.2	-8.5	0	0	107.4	R237	Q235-R237 PolarHBondContact O-N 3.03Å
236	P	37.3	Very low	53	Low	85 Å²	85	96.2 Å²	96.2	55%	0.552	49%	0.488	S	S	*	.			trans	-64.3	132.6	-176.2	24.5	-32.1	0	0	0	111.3
237	R	38.5	Very low	50	Low	232 Å²	232	103.7 Å²	103.7	88%	0.875	52%	0.522	S	S	*	.			trans	-89.5	100.9	148	-76.7	-173	177.1	-180	-0.7	106.8	Q235 K239	Q235-R237 PolarHBondContact O-N 3.03Å; R237-K239 PolarHBondContact O-N 3.14Å; R237-K239 VanDerWaalsContact O-N 3.13Å
238	I	35.3	Very low	46.9	Very low	130 Å²	130	110.3 Å²	110.3	67%	0.667	56%	0.562	S	S	*	*			trans	-64.9	113.4	163.5	-58.6	172.3	0	0	0	105	S240	I238-S240 PolarHBondContact O-N 2.89Å
239	K	33.6	Very low	44	Very low	201 Å²	201	114.9 Å²	114.9	87%	0.874	60%	0.6	S	S	*	*			trans	-65.2	94.8	158.6	-85.8	-174.5	177.4	178.4	0	105	R237 T241	R237-K239 PolarHBondContact O-N 3.14Å; R237-K239 VanDerWaalsContact O-N 3.13Å; K239-T241 PolarHBondContact O-N 2.73Å; K239-T241 VanDerWaalsContact O-N 3.07Å
240	S	32.5	Very low	41.5	Very low	73 Å²	73	119.8 Å²	119.8	51%	0.51	63%	0.633	S	S	.	*			trans	-57.7	118.2	166.4	59.8	0	0	0	0	106	I238 H242	I238-S240 PolarHBondContact O-N 2.89Å; S240-H242 PolarHBondContact O-N 3.29Å; S240-H242 PolarHBondContact OG-CD2 2.84Å
241	T	29.2	Very low	38.5	Very low	147 Å²	147	126.6 Å²	126.6	90%	0.902	67%	0.669	S	S	*	*			trans	-68.2	66.9	156.8	46.7	0	0	0	0	107.1	K239 S243	K239-T241 PolarHBondContact O-N 2.73Å; K239-T241 VanDerWaalsContact O-N 3.07Å; T241-S243 VanDerWaalsContact C-N 3.32Å; T241-S243 PolarHBondContact O-N 3.42Å
242	H	30.6	Very low	36.1	Very low	157 Å²	157	132 Å²	132	73%	0.727	70%	0.698	S	S	*	*			trans	-74.2	98.6	168.7	-100.8	-56.3	0	0	0	106.7	S240	S240-H242 PolarHBondContact O-N 3.29Å; S240-H242 PolarHBondContact OG-CD2 2.84Å
243	S	28.6	Very low	33.9	Very low	75 Å²	75	138.6 Å²	138.6	52%	0.524	73%	0.733	S	S	.	*			trans	50.5	95.4	153.8	59.2	0	0	0	0	115.4	T241 N245	T241-S243 VanDerWaalsContact C-N 3.32Å; T241-S243 PolarHBondContact O-N 3.42Å; S243-N245 PolarHBondContact O-N 3.01Å
244	M	25.7	Very low	32.3	Very low	181 Å²	181	140.3 Å²	140.3	89%	0.892	74%	0.738	S	S	*	*			trans	-54.8	82.1	132	-76.3	-173.9	-174.9	0	0	107.8	L246	M244-L246 HydrophobicContact CB-CD1 4.4Å; M244-L246 PolarHBondContact O-N 2.77Å
245	N	26.6	Very low	30.4	Very low	141 Å²	141	144.5 Å²	144.5	75%	0.754	77%	0.765	S	S	*	*			trans	-66.7	92.2	151.4	-94.1	-28.4	0	0	0	105	S243 K247	S243-N245 PolarHBondContact O-N 3.01Å; N245-K247 VanDerWaalsContact C-N 3.3Å; N245-K247 PolarHBondContact O-N 3.26Å
246	L	27.1	Very low	29.6	Very low	148 Å²	148	141.4 Å²	141.4	78%	0.775	75%	0.751	S	S	*	*			trans	-49.6	101.5	156.4	-99	83.2	0	0	0	107.2	M244	M244-L246 HydrophobicContact CB-CD1 4.4Å; M244-L246 PolarHBondContact O-N 2.77Å
247	K	24.3	Very low	28.9	Very low	193 Å²	193	141.8 Å²	141.8	84%	0.839	76%	0.756	S	S	*	*			trans	-169.6	129.7	146.5	-100.1	152.7	-170.2	-171.6	0	108.9	N245	N245-K247 VanDerWaalsContact C-N 3.3Å; N245-K247 PolarHBondContact O-N 3.26Å
248	T	26.2	Very low	28.4	Very low	138 Å²	138	138.9 Å²	138.9	85%	0.847	75%	0.746	S	S	*	*	S	Bend	trans	78.2	89.9	162.9	54.4	0	0	0	0	120.5
249	A	27.9	Very low	27.8	Very low	97 Å²	97	143.1 Å²	143.1	80%	0.802	76%	0.755	S	S	*	*				73.8	165.1	129.4	0	0	0	0	0	119.9
250	P	37.1	Very low	27.3	Very low	112 Å²	112	139.3 Å²	139.3	73%	0.727	75%	0.749	S	S	*	*				-121	162.6	-92	32.1	-14	0	0	0	114.8
251	D	26	Very low	26.9	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	76%	0.76	S	S	*	*			trans	50.6	90	155.8	-63	-24.8	0	0	0	119.7
252	I	30.7	Very low	26.6	Very low	160 Å²	160	141.2 Å²	141.2	82%	0.821	75%	0.752	S	S	*	*			trans	-131.7	105.9	141.4	-59.2	-179.9	0	0	0	108.3	N254	I252-N254 PolarHBondContact O-N 2.89Å
253	N	25.6	Very low	26.5	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	74%	0.741	S	S	*	*			trans	-54.7	96.8	172.5	-85.6	-35.3	0	0	0	111.4
254	N	29	Very low	26.5	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	74%	0.741	S	S	*	*			trans	-123.1	85.9	155.1	-100.8	-20.8	0	0	0	108.1	I252 M256	I252-N254 PolarHBondContact O-N 2.89Å; N254-M256 PolarHBondContact O-N 2.77Å
255	N	23.8	Very low	26.9	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	73%	0.733	S	S	*	*			trans	-63.5	77.9	165.7	-85	-17.3	0	0	0	109.8
256	M	26.3	Very low	27.1	Very low	118 Å²	118	133.9 Å²	133.9	58%	0.581	73%	0.729	S	S	*	*			trans	-105.3	81.6	141.1	-84	-130.4	-119.7	0	0	106.6	N254 Y258	N254-M256 PolarHBondContact O-N 2.77Å; M256-Y258 VanDerWaalsContact C-N 3.3Å; M256-Y258 HydrophobicContact CB-CD2 4.09Å; M256-Y258 HydrophobicContact CB-CE2 3.56Å; M256-Y258 WeakPolarHBondContact CE-OH 3.39Å; M256-Y258 HydrophobicContact CG-CE2 4.45Å; M256-Y258 WeakPolarHBondContact O-CD2 3.39Å; M256-Y258 PolarHBondContact O-N 3.46Å; M256-Y258 HydrophobicContact SD-CE1 4.07Å; M256-Y258 HydrophobicContact SD-CE2 4.2Å; M256-Y258 PolarHBondContact SD-OH 3.19Å
257	S	22.8	Very low	27.3	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	72%	0.724	S	S	*	*			trans	-68.8	94.1	163.5	42.2	0	0	0	0	107.7	Y259	S257-Y259 PolarHBondContact O-N 2.96Å
258	Y	27.2	Very low	27.5	Very low	171 Å²	171	132.4 Å²	132.4	67%	0.671	72%	0.719	S	S	*	*			trans	-69.8	118	169.1	-66.2	-87.6	0	0	0	108.2	M256 V260	M256-Y258 VanDerWaalsContact C-N 3.3Å; M256-Y258 HydrophobicContact CB-CD2 4.09Å; M256-Y258 HydrophobicContact CB-CE2 3.56Å; M256-Y258 WeakPolarHBondContact CE-OH 3.39Å; M256-Y258 HydrophobicContact CG-CE2 4.45Å; M256-Y258 WeakPolarHBondContact O-CD2 3.39Å; M256-Y258 PolarHBondContact O-N 3.46Å; M256-Y258 HydrophobicContact SD-CE1 4.07Å; M256-Y258 HydrophobicContact SD-CE2 4.2Å; M256-Y258 PolarHBondContact SD-OH 3.19Å; Y258-V260 VanDerWaalsContact C-N 3.3Å; Y258-V260 PolarHBondContact O-N 2.97Å
259	Y	22.8	Very low	27.8	Very low	220 Å²	220	130.7 Å²	130.7	86%	0.863	71%	0.708	S	S	*	*			trans	-68.5	92.3	167.3	-74.3	-87.4	0	0	0	108.3	S257 I261	S257-Y259 PolarHBondContact O-N 2.96Å; Y259-I261 PolarHBondContact O-N 3.26Å
260	V	24.1	Very low	27.9	Very low	121 Å²	121	131.4 Å²	131.4	73%	0.733	70%	0.702	S	S	*	*			trans	-70.9	105.6	161.9	-179.6	0	0	0	0	105.8	Y258 P262	Y258-V260 VanDerWaalsContact C-N 3.3Å; Y258-V260 PolarHBondContact O-N 2.97Å; V260-P262 WeakPolarHBondContact O-CD 3.41Å
261	I	24.3	Very low	27.6	Very low	145 Å²	145	133 Å²	133	74%	0.744	70%	0.701	S	S	*	*			trans	-64	120.7	161.8	-60.8	174.9	0	0	0	105.1	Y259 V263	Y259-I261 PolarHBondContact O-N 3.26Å; I261-V263 PolarHBondContact O-N 3.28Å
262	P	22.9	Very low	28	Very low	115 Å²	115	130.4 Å²	130.4	75%	0.747	69%	0.694	S	S	*	*			trans	-65.1	103.2	179.1	26	-31	0	0	0	107.9	V260	V260-P262 WeakPolarHBondContact O-CD 3.41Å
263	V	27.4	Very low	28.3	Very low	81 Å²	81	129.3 Å²	129.3	49%	0.491	68%	0.683	S	S	.	*			trans	-71.4	129.8	158.4	-175.2	0	0	0	0	105.3	I261 P265	I261-V263 PolarHBondContact O-N 3.28Å; V263-P265 VanDerWaalsContact O-N 3.17Å
264	D	28.1	Very low	28.8	Very low	98 Å²	98	127.7 Å²	127.7	52%	0.524	68%	0.683	S	S	.	*			trans	-40.6	120.1	-180	-166.2	-31.1	0	0	0	110.6	T266 Q267	D264-T266 PolarHBondContact O-N 3.31Å; D264-T266 PolarHBondContact OD1-N 2.64Å; D264-T266 PolarHBondContact OD1-OG1 3.3Å; D264-Q267 PolarHBondContact O-N 2.84Å
265	P	35.1	Very low	29.8	Very low	111 Å²	111	123.5 Å²	123.5	72%	0.721	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-5.4	-175.5	23.7	-33.3	0	0	0	113.7	V263	V263-P265 VanDerWaalsContact O-N 3.17Å
266	T	30.6	Very low	31.3	Very low	110 Å²	110	120.4 Å²	120.4	68%	0.675	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-18.2	172.9	57.6	0	0	0	0	113.8	D264 F268	D264-T266 PolarHBondContact O-N 3.31Å; D264-T266 PolarHBondContact OD1-N 2.64Å; D264-T266 PolarHBondContact OD1-OG1 3.3Å; T266-F268 PolarHBondContact O-N 2.88Å
267	Q	31.1	Very low	33.1	Very low	140 Å²	140	117 Å²	117	65%	0.654	64%	0.635	S	S	*	*			trans	-93	77.7	171.5	-73	-171.2	1.1	0	0	110.7	D264 V269	D264-Q267 PolarHBondContact O-N 2.84Å; Q267-V269 VanDerWaalsContact C-N 3.32Å; Q267-V269 PolarHBondContact O-N 3.35Å
268	F	29.6	Very low	35.6	Very low	170 Å²	170	113.3 Å²	113.3	75%	0.746	61%	0.609	S	S	*	*			trans	-58.6	99.7	155.9	-88.2	-87.9	0	0	0	108	T266 T270	T266-F268 PolarHBondContact O-N 2.88Å; F268-T270 HydrophobicContact CB-CG2 4.01Å; F268-T270 HydrophobicContact CD1-CG2 4.23Å; F268-T270 PolarHBondContact O-N 3.32Å; F268-T270 PolarHBondContact O-OG1 2.85Å
269	V	31.7	Very low	38.4	Very low	101 Å²	101	105.1 Å²	105.1	61%	0.612	58%	0.577	S	S	*	*			trans	-72.4	76.4	164.8	-174.1	0	0	0	0	106.7	Q267 E271 F273	Q267-V269 VanDerWaalsContact C-N 3.32Å; Q267-V269 PolarHBondContact O-N 3.35Å; V269-E271 VanDerWaalsContact C-N 3.32Å; V269-F273 HydrophobicContact CG1-CD2 4.46Å; V269-F273 HydrophobicContact CG1-CE2 3.87Å
270	T	30	Very low	41.7	Very low	112 Å²	112	94.7 Å²	94.7	69%	0.687	54%	0.536	S	S	*	.			trans	-84.3	-8.4	176.9	36.3	0	0	0	0	112.7	F268 S272	F268-T270 HydrophobicContact CB-CG2 4.01Å; F268-T270 HydrophobicContact CD1-CG2 4.23Å; F268-T270 PolarHBondContact O-N 3.32Å; F268-T270 PolarHBondContact O-OG1 2.85Å; T270-S272 PolarHBondContact O-N 3.22Å
271	E	30.9	Very low	45	Very low	147 Å²	147	88.9 Å²	88.9	69%	0.687	50%	0.501	S	S	*	.	S	Bend	trans	-87.6	107.6	177	-65.3	-171.3	173	0	0	109.5	V269 F273	V269-E271 VanDerWaalsContact C-N 3.32Å; E271-F273 VanDerWaalsContact C-N 3.27Å; E271-F273 PolarHBondContact O-N 3.42Å
272	S	34	Very low	48.4	Very low	94 Å²	94	82 Å²	82	66%	0.657	47%	0.466	S	S	*	.			trans	-57.5	94.9	161.7	43.3	0	0	0	0	108.3	T270 S274	T270-S272 PolarHBondContact O-N 3.22Å; S272-S274 PolarHBondContact O-N 3.03Å
273	F	36.8	Very low	51.8	Low	138 Å²	138	76.6 Å²	76.6	61%	0.605	43%	0.43	S	S	*	.			trans	-53.9	118.4	170.2	-72.5	-82.5	0	0	0	107.7	V269 E271 L275	V269-F273 HydrophobicContact CG1-CD2 4.46Å; V269-F273 HydrophobicContact CG1-CE2 3.87Å; E271-F273 VanDerWaalsContact C-N 3.27Å; E271-F273 PolarHBondContact O-N 3.42Å; F273-L275 PolarHBondContact O-N 3.34Å
274	S	37.3	Very low	55	Low	109 Å²	109	72.7 Å²	72.7	76%	0.762	41%	0.407	S	S	*	.			trans	-64.4	92	165.7	59.3	0	0	0	0	106.3	S272 C276	S272-S274 PolarHBondContact O-N 3.03Å; S274-C276 PolarHBondContact O-N 3.33Å
275	L	48.5	Very low	57.9	Low	61 Å²	61	68.1 Å²	68.1	32%	0.319	38%	0.382	S	S	.	.			trans	-64.4	106.5	176.2	-82.3	153.4	0	0	0	106.9	F273 Y359	F273-L275 PolarHBondContact O-N 3.34Å; L275-Y359 HydrophobicContact CD1-CD2 4.19Å; L275-Y359 HydrophobicContact CD1-CE1 3.93Å; L275-Y359 HydrophobicContact CD1-CE2 3.47Å; L275-Y359 VanDerWaalsContact CD1-CE2 3.47Å; L275-Y359 WeakPolarHBondContact CD1-OH 3.04Å; L275-Y359 HydrophobicContact CD2-CD1 4.39Å; L275-Y359 HydrophobicContact CD2-CE1 3.44Å; L275-Y359 VanDerWaalsContact CD2-CE1 3.44Å; L275-Y359 HydrophobicContact CD2-CE2 4.47Å; L275-Y359 VanDerWaalsContact CD2-CZ 3.48Å; L275-Y359 VanDerWaalsContact CD2-OH 3.24Å; L275-Y359 WeakPolarHBondContact CD2-OH 3.17Å; L275-Y359 HydrophobicContact CG-CE1 4.29Å
276	C	55.1	Low	60.4	Low	74 Å²	74	66.6 Å²	66.6	50%	0.5	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-53.9	149.6	170.8	-69.7	0	0	0	0	108.8	S274 V278	S274-C276 PolarHBondContact O-N 3.33Å; C276-V278 PolarHBondContact O-N 3.28Å; C276-V278 VanDerWaalsContact O-N 3.17Å
277	P	64	Low	63	Low	46 Å²	46	61.5 Å²	61.5	30%	0.299	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-50.6	128.8	174.4	22.5	-33.1	0	0	0	109.3	Q231 I232	Q231-P277 HydrophobicContact CG-CB 4.16Å; I232-P277 WeakPolarHBondContact O-CA 3.38Å
278	V	75.8	Confident	65.8	Low	15 Å²	15	54.8 Å²	54.8	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.2	179.6	-176.2	0	0	0	0	107.3	I232 C276 F280 M294 L365	I232-V278 PolarHBondContact N-O 3.08Å; I232-V278 PolarHBondContact O-N 3.29Å; C276-V278 PolarHBondContact O-N 3.28Å; C276-V278 VanDerWaalsContact O-N 3.17Å; V278-F280 HydrophobicContact CB-CE2 4.08Å; V278-F280 HydrophobicContact CB-CZ 4.29Å; V278-F280 HydrophobicContact CG1-CD2 4.35Å; V278-F280 HydrophobicContact CG1-CE1 4.12Å; V278-F280 HydrophobicContact CG1-CE2 3.68Å; V278-F280 HydrophobicContact CG1-CZ 3.58Å; V278-M294 HydrophobicContact CG1-CG 3.69Å; V278-M294 HydrophobicContact CG1-SD 4.05Å; V278-L365 HydrophobicContact CB-CD1 4.31Å; V278-L365 HydrophobicContact CG1-CD1 3.95Å; V278-L365 HydrophobicContact CG2-CD1 3.97Å
279	T	87.1	Confident	68.7	Low	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	142.6	174.4	-65.8	0	0	0	0	109.3	V132 W229 C230 V295	V132-T279 HydrophobicContact CG2-CG2 3.98Å; W229-T279 HydrophobicContact CE3-CG2 3.57Å; W229-T279 HydrophobicContact CZ3-CG2 3.76Å; C230-T279 CarbonylContact O-C 3.6Å; C230-T279 WeakPolarHBondContact O-CA 3.35Å; T279-V295 HydrophobicContact CG2-CB 4.3Å; T279-V295 PolarHBondContact N-O 3.39Å; T279-V295 PolarHBondContact O-N 3.01Å
280	F	91.4	Very high	71.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.2	178.2	-60.1	-91.4	0	0	0	110	W229 C230 I232 V278 I292 W293 L308 L331 L339 L365	W229-F280 CarbonylContact C-O 3.4Å; W229-F280 WeakPolarHBondContact CA-O 3.35Å; C230-F280 HydrophobicContact CB-CB 4.4Å; C230-F280 PolarHBondContact N-O 2.99Å; C230-F280 PolarHBondContact O-N 3.37Å; I232-F280 HydrophobicContact CD1-CD2 4.4Å; I232-F280 HydrophobicContact CD1-CE2 3.54Å; I232-F280 HydrophobicContact CD1-CZ 4.19Å; I232-F280 HydrophobicContact CG1-CD2 4.35Å; I232-F280 HydrophobicContact CG1-CE2 3.8Å; V278-F280 HydrophobicContact CB-CE2 4.08Å; V278-F280 HydrophobicContact CB-CZ 4.29Å; V278-F280 HydrophobicContact CG1-CD2 4.35Å; V278-F280 HydrophobicContact CG1-CE1 4.12Å; V278-F280 HydrophobicContact CG1-CE2 3.68Å; V278-F280 HydrophobicContact CG1-CZ 3.58Å; F280-I292 HydrophobicContact CB-CG2 4.39Å; F280-I292 HydrophobicContact CD1-CG2 4.07Å; F280-W293 CarbonylContact C-O 3.54Å; F280-W293 WeakPolarHBondContact CA-O 3.45Å; F280-L308 HydrophobicContact CD1-CD1 3.85Å; F280-L308 HydrophobicContact CE1-CD1 3.54Å; F280-L331 HydrophobicContact CB-CD2 3.49Å; F280-L331 VanDerWaalsContact CB-CD2 3.49Å; F280-L331 HydrophobicContact CG-CD2 4.23Å; F280-L339 HydrophobicContact CD1-CD1 4.25Å; F280-L339 HydrophobicContact CD2-CD1 4.3Å; F280-L339 HydrophobicContact CD2-CD2 4.41Å; F280-L339 HydrophobicContact CE1-CD1 4.1Å; F280-L339 HydrophobicContact CE2-CD1 4.18Å; F280-L339 HydrophobicContact CE2-CD2 4.49Å; F280-L339 HydrophobicContact CG-CD1 4.33Å; F280-L339 HydrophobicContact CZ-CD1 4.05Å; F280-L365 HydrophobicContact CE1-CD2 3.85Å; F280-L365 HydrophobicContact CZ-CD1 4Å; F280-L365 HydrophobicContact CZ-CD2 4Å
281	L	94	Very high	74.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.3	172	172.7	66.9	0	0	0	108.8	L151 L166 S228 W229 V283 W293 V295 M305	L151-L281 HydrophobicContact CD1-CD2 4.36Å; L151-L281 HydrophobicContact CD2-CD2 3.98Å; L166-L281 HydrophobicContact CD2-CD2 3.79Å; S228-L281 CarbonylContact O-C 3.58Å; S228-L281 WeakPolarHBondContact O-CA 3.43Å; W229-L281 HydrophobicContact CD2-CB 4.28Å; W229-L281 HydrophobicContact CD2-CD1 3.75Å; W229-L281 VanDerWaalsContact CE2-CD1 3.49Å; W229-L281 HydrophobicContact CE3-CB 3.96Å; W229-L281 HydrophobicContact CE3-CD1 4.3Å; W229-L281 HydrophobicContact CG-CD1 4.1Å; W229-L281 HydrophobicContact CH2-CB 4.12Å; W229-L281 HydrophobicContact CH2-CD1 4.33Å; W229-L281 HydrophobicContact CH2-CD2 4.07Å; W229-L281 HydrophobicContact CH2-CG 4.39Å; W229-L281 HydrophobicContact CZ2-CB 4.45Å; W229-L281 HydrophobicContact CZ2-CD1 3.82Å; W229-L281 HydrophobicContact CZ2-CD2 4.03Å; W229-L281 HydrophobicContact CZ2-CG 4.3Å; W229-L281 HydrophobicContact CZ3-CB 3.89Å; L281-V283 HydrophobicContact CD2-CG2 4.41Å; L281-V283 HydrophobicContact CG-CG2 4.15Å; L281-W293 HydrophobicContact CB-CB 4.25Å; L281-W293 PolarHBondContact N-O 3.38Å; L281-W293 PolarHBondContact O-N 3.25Å; L281-V295 HydrophobicContact CB-CG2 4.25Å; L281-M305 HydrophobicContact CD2-CE 4.18Å
282	A	94.5	Very high	77.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.3	171.7	0	0	0	0	0	110.2	T227 S228 C291 I292 I329 L331 L341	T227-A282 CarbonylContact C-O 3.56Å; T227-A282 WeakPolarHBondContact CA-O 3.09Å; S228-A282 PolarHBondContact N-O 3.35Å; S228-A282 PolarHBondContact O-N 3.4Å; A282-C291 CarbonylContact C-O 3.6Å; A282-C291 VanDerWaalsContact CA-O 3.29Å; A282-C291 WeakPolarHBondContact CA-O 3.29Å; A282-I292 HydrophobicContact CB-CG1 4.31Å; A282-I329 HydrophobicContact CB-CD1 3.79Å; A282-L331 HydrophobicContact CB-CB 4.19Å; A282-L331 HydrophobicContact CB-CD2 4.36Å; A282-L341 HydrophobicContact CB-CD1 4.38Å
283	V	94.7	Very high	80.4	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	-177.4	-171.3	0	0	0	0	109	L166 V224 Y226 T227 L281 M285 F290 C291 I329	L166-V283 HydrophobicContact CD2-CG2 3.77Å; V224-V283 HydrophobicContact CB-CG1 4.23Å; V224-V283 HydrophobicContact CG1-CG1 3.59Å; V224-V283 HydrophobicContact CG2-CG1 3.66Å; Y226-V283 WeakPolarHBondContact O-CA 3.48Å; T227-V283 HydrophobicContact CG2-CG1 4.25Å; T227-V283 HydrophobicContact CG2-CG2 4.4Å; L281-V283 HydrophobicContact CD2-CG2 4.41Å; L281-V283 HydrophobicContact CG-CG2 4.15Å; V283-M285 HydrophobicContact CB-CE 4.05Å; V283-M285 HydrophobicContact CG1-CE 3.48Å; V283-M285 VanDerWaalsContact CG1-CE 3.48Å; V283-M285 HydrophobicContact CG1-SD 4.15Å; V283-F290 CarbonylContact O-C 3.59Å; V283-F290 WeakPolarHBondContact O-CA 3.5Å; V283-F290 VanDerWaalsContact O-CB 3.31Å; V283-F290 WeakPolarHBondContact O-CB 3.16Å; V283-C291 PolarHBondContact N-O 3.39Å; V283-C291 PolarHBondContact O-N 3Å; V283-I329 VanDerWaalsContact C-CD1 3.47Å
284	L	93.7	Very high	82.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.6	174.1	175	67.8	0	0	0	109.2	V225 Y226 F290 P326 I329	V225-L284 HydrophobicContact CB-CD2 4.39Å; V225-L284 HydrophobicContact CB-CG 4.45Å; V225-L284 HydrophobicContact CG1-CD2 4.28Å; V225-L284 PolarHBondContact N-O 3.24Å; Y226-L284 PolarHBondContact N-O 3.32Å; Y226-L284 PolarHBondContact O-N 3.29Å; L284-F290 HydrophobicContact CD1-CB 4.37Å; L284-P326 HydrophobicContact CD1-CB 4.16Å; L284-P326 HydrophobicContact CD1-CG 3.96Å; L284-I329 HydrophobicContact CB-CB 4.48Å; L284-I329 HydrophobicContact CB-CD1 3.72Å; L284-I329 HydrophobicContact CB-CG1 3.81Å; L284-I329 HydrophobicContact CB-CG2 3.88Å; L284-I329 HydrophobicContact CD1-CG2 4.08Å; L284-I329 HydrophobicContact CD2-CG2 4.12Å; L284-I329 HydrophobicContact CG-CG2 4.23Å
285	M	90.9	Very high	85.3	Confident	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	159	175.3	-50.8	-58	167.9	0	0	110.9	W170 D221 V223 V224 V283 S287 G288 A289	W170-M285 HydrophobicContact CD2-CE 3.7Å; W170-M285 VanDerWaalsContact CE2-CE 3.4Å; W170-M285 HydrophobicContact CE3-CE 4.42Å; W170-M285 HydrophobicContact CG-CE 3.86Å; W170-M285 HydrophobicContact CZ2-CE 3.89Å; W170-M285 HydrophobicContact CZ2-CG 4.42Å; D221-M285 VanDerWaalsContact O-CG 3.23Å; D221-M285 WeakPolarHBondContact O-CG 3.39Å; V223-M285 CarbonylContact O-C 3.56Å; V223-M285 VanDerWaalsContact O-CA 3.32Å; V223-M285 WeakPolarHBondContact O-CA 3.31Å; V224-M285 HydrophobicContact CG2-CE 4.28Å; V224-M285 HydrophobicContact CG2-SD 3.79Å; V283-M285 HydrophobicContact CB-CE 4.05Å; V283-M285 HydrophobicContact CG1-CE 3.48Å; V283-M285 VanDerWaalsContact CG1-CE 3.48Å; V283-M285 HydrophobicContact CG1-SD 4.15Å; M285-S287 PolarHBondContact O-N 2.86Å; M285-G288 PolarHBondContact O-N 3.41Å; M285-A289 HydrophobicContact CB-CB 4.23Å; M285-A289 WeakPolarHBondContact CB-O 3.48Å; M285-A289 HydrophobicContact CG-CB 4.31Å; M285-A289 PolarHBondContact N-O 3.35Å
286	K	86.3	Confident	86.9	Confident	79 Å²	79	15 Å²	15	34%	0.343	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.4	-178.3	-177.5	-179.7	175.1	-135.4	0	113	E220 V223 V225 G288	E220-K286 HydrophobicContact CB-CB 4.29Å; E220-K286 HydrophobicContact CB-CG 4.41Å; E220-K286 HydrophobicContact CG-CD 4.05Å; E220-K286 HydrophobicContact CG-CG 4.31Å; E220-K286 WeakPolarHBondContact O-CB 3.43Å; E220-K286 PolarHBondContact O-N 3.17Å; E220-K286 VanDerWaalsContact O-N 3.12Å; E220-K286 IonicContact OE1-NZ 2.63Å; E220-K286 PolarHBondContact OE1-NZ 3.48Å; V223-K286 HydrophobicContact CB-CB 4.02Å; V223-K286 HydrophobicContact CB-CD 4.48Å; V223-K286 HydrophobicContact CG1-CB 3.86Å; V223-K286 HydrophobicContact CG1-CD 4.04Å; V223-K286 PolarHBondContact O-N 3.05Å; V225-K286 HydrophobicContact CG2-CB 3.65Å; V225-K286 HydrophobicContact CG2-CG 4.2Å; K286-G288 PolarHBondContact O-N 3.09Å
287	S	86.2	Confident	88	Confident	2 Å²	2	13 Å²	13	1%	0.014	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.2	174.7	67.3	0	0	0	0	112.8	E220 D221 M285 A289 T315 V316	E220-S287 PolarHBondContact O-N 3.38Å; D221-S287 WeakPolarHBondContact OD1-CB 3.4Å; D221-S287 PolarHBondContact OD1-OG 3.09Å; M285-S287 PolarHBondContact O-N 2.86Å; S287-A289 PolarHBondContact OG-N 2.64Å; S287-T315 CarbonylContact O-C 3.57Å; S287-T315 VanDerWaalsContact O-CA 3.28Å; S287-T315 WeakPolarHBondContact O-CA 3.35Å; S287-V316 PolarHBondContact O-N 3.12Å
288	G	88.4	Confident	88.7	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	101.3	-5.5	-173.4	0	0	0	0	0	113.6	M285 K286 P326	M285-G288 PolarHBondContact O-N 3.41Å; K286-G288 PolarHBondContact O-N 3.09Å; G288-P326 WeakPolarHBondContact O-CG 3.34Å
289	A	90.6	Very high	89.1	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.			trans	-64.2	148.3	168.6	0	0	0	0	0	110.9	M285 S287 D311 Y312	M285-A289 HydrophobicContact CB-CB 4.23Å; M285-A289 WeakPolarHBondContact CB-O 3.48Å; M285-A289 HydrophobicContact CG-CB 4.31Å; M285-A289 PolarHBondContact N-O 3.35Å; S287-A289 PolarHBondContact OG-N 2.64Å; A289-D311 VanDerWaalsContact CA-O 3.29Å; A289-D311 WeakPolarHBondContact CA-O 3.29Å; A289-Y312 HydrophobicContact CB-CD1 3.45Å; A289-Y312 VanDerWaalsContact CB-CD1 3.45Å; A289-Y312 HydrophobicContact CB-CE1 3.69Å; A289-Y312 HydrophobicContact CB-CG 4.48Å
290	F	93.7	Very high	88.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.8	172.6	68.6	-92.9	0	0	0	111.9	V283 L284 W309 D311 Y314 L341 L353 F355	V283-F290 CarbonylContact O-C 3.59Å; V283-F290 WeakPolarHBondContact O-CA 3.5Å; V283-F290 VanDerWaalsContact O-CB 3.31Å; V283-F290 WeakPolarHBondContact O-CB 3.16Å; L284-F290 HydrophobicContact CD1-CB 4.37Å; F290-W309 AromaticContact CE2-CD1 3.99Å; F290-D311 HydrophobicContact CD1-CB 3.9Å; F290-D311 HydrophobicContact CD2-CB 4.1Å; F290-D311 HydrophobicContact CE1-CB 3.42Å; F290-D311 VanDerWaalsContact CE1-CB 3.42Å; F290-D311 HydrophobicContact CE2-CB 3.63Å; F290-D311 HydrophobicContact CG-CB 4.22Å; F290-D311 HydrophobicContact CZ-CB 3.27Å; F290-D311 VanDerWaalsContact CZ-CG 3.48Å; F290-D311 VanDerWaalsContact CZ-OD2 3.27Å; F290-D311 WeakPolarHBondContact CZ-OD2 3.4Å; F290-D311 PolarHBondContact N-O 3.38Å; F290-D311 PolarHBondContact O-N 3.25Å; F290-Y314 HydrophobicContact CD1-CD2 4.49Å; F290-Y314 AromaticContact CE1-CD2 3.99Å; F290-Y314 HydrophobicContact CE1-CD2 3.99Å; F290-Y314 HydrophobicContact CE1-CE2 4.1Å; F290-L341 HydrophobicContact CD2-CD2 3.83Å; F290-L341 HydrophobicContact CE2-CD2 3.47Å; F290-L341 VanDerWaalsContact CE2-CD2 3.47Å; F290-L341 HydrophobicContact CZ-CD2 3.86Å; F290-L353 HydrophobicContact CE1-CD1 4.27Å; F290-L353 HydrophobicContact CZ-CD1 3.79Å; F290-F355 HydrophobicContact CE2-CZ 4.28Å
291	C	93.4	Very high	88.4	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.1	175.3	63	0	0	0	0	112	W170 A282 V283 W293 L307 W309 V310	W170-C291 HydrophobicContact CH2-CB 3.94Å; W170-C291 HydrophobicContact CZ3-CB 3.83Å; A282-C291 CarbonylContact C-O 3.6Å; A282-C291 VanDerWaalsContact CA-O 3.29Å; A282-C291 WeakPolarHBondContact CA-O 3.29Å; V283-C291 PolarHBondContact N-O 3.39Å; V283-C291 PolarHBondContact O-N 3Å; C291-W293 PolarHBondContact SG-NE1 3.06Å; C291-L307 HydrophobicContact CB-CD1 3.93Å; C291-W309 CarbonylContact C-O 3.49Å; C291-W309 WeakPolarHBondContact CA-O 3.47Å; C291-W309 VanDerWaalsContact CB-O 3.27Å; C291-W309 WeakPolarHBondContact CB-O 3.38Å; C291-V310 HydrophobicContact CB-CG2 4.05Å
292	I	93.7	Very high	87.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.7	177.3	-55.8	176	0	0	0	108.4	F280 A282 L308 W309 L331 F355 L367	F280-I292 HydrophobicContact CB-CG2 4.39Å; F280-I292 HydrophobicContact CD1-CG2 4.07Å; A282-I292 HydrophobicContact CB-CG1 4.31Å; I292-L308 WeakPolarHBondContact O-CB 3.29Å; I292-L308 PolarHBondContact O-N 2.93Å; I292-W309 HydrophobicContact CB-CB 4.07Å; I292-W309 HydrophobicContact CD1-CB 4.43Å; I292-W309 HydrophobicContact CG1-CB 4.35Å; I292-W309 PolarHBondContact N-O 2.87Å; I292-W309 PolarHBondContact O-N 3.14Å; I292-L331 HydrophobicContact CD1-CD1 4.49Å; I292-L331 HydrophobicContact CG2-CD2 4.33Å; I292-F355 HydrophobicContact CD1-CE1 4.37Å; I292-F355 HydrophobicContact CD1-CE2 4.09Å; I292-F355 HydrophobicContact CD1-CZ 4.01Å; I292-L367 HydrophobicContact CB-CD1 4.35Å; I292-L367 HydrophobicContact CD1-CD1 3.99Å; I292-L367 HydrophobicContact CG2-CD1 4.12Å
293	W	91.8	Very high	87.3	Confident	6 Å²	6	25.2 Å²	25.2	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.6	174.5	-62.6	81.8	0	0	0	109.9	L166 I169 W170 F194 F280 L281 C291 M305 S306 L307	L166-W293 HydrophobicContact CD1-CD2 4.42Å; L166-W293 HydrophobicContact CD1-CZ2 3.98Å; I169-W293 HydrophobicContact CG2-CH2 3.57Å; I169-W293 HydrophobicContact CG2-CZ2 4.33Å; I169-W293 HydrophobicContact CG2-CZ3 4.18Å; W170-W293 HydrophobicContact CE3-CZ2 4.14Å; F194-W293 HydrophobicContact CD1-CH2 4.35Å; F194-W293 HydrophobicContact CE1-CH2 4.42Å; F280-W293 CarbonylContact C-O 3.54Å; F280-W293 WeakPolarHBondContact CA-O 3.45Å; L281-W293 HydrophobicContact CB-CB 4.25Å; L281-W293 PolarHBondContact N-O 3.38Å; L281-W293 PolarHBondContact O-N 3.25Å; C291-W293 PolarHBondContact SG-NE1 3.06Å; W293-M305 HydrophobicContact CB-CE 4.26Å; W293-M305 HydrophobicContact CD2-CE 4.06Å; W293-M305 HydrophobicContact CE3-CB 4.18Å; W293-M305 HydrophobicContact CE3-CE 4.08Å; W293-M305 HydrophobicContact CG-CE 4.15Å; W293-S306 CarbonylContact C-O 3.28Å; W293-S306 WeakPolarHBondContact CA-O 3.4Å; W293-L307 HydrophobicContact CD2-CB 4.38Å; W293-L307 HydrophobicContact CD2-CD1 3.85Å; W293-L307 HydrophobicContact CE3-CB 3.92Å; W293-L307 HydrophobicContact CE3-CD1 4.26Å; W293-L307 HydrophobicContact CG-CD1 4.34Å; W293-L307 HydrophobicContact CH2-CB 3.97Å; W293-L307 HydrophobicContact CH2-CD1 4.14Å; W293-L307 HydrophobicContact CH2-CD2 4.46Å; W293-L307 HydrophobicContact CH2-CG 4.4Å; W293-L307 HydrophobicContact CZ2-CB 4.45Å; W293-L307 HydrophobicContact CZ2-CD1 3.74Å; W293-L307 HydrophobicContact CZ2-CG 4.45Å; W293-L307 HydrophobicContact CZ3-CB 3.7Å; W293-L307 HydrophobicContact CZ3-CD1 4.4Å
294	M	88.8	Confident	86.8	Confident	36 Å²	36	25.5 Å²	25.5	18%	0.177	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.1	159.6	-166.8	172.2	53	0	0	109.1	V278 M305 S306 L308 L365	V278-M294 HydrophobicContact CG1-CG 3.69Å; V278-M294 HydrophobicContact CG1-SD 4.05Å; M294-M305 WeakPolarHBondContact O-CA 3.48Å; M294-S306 PolarHBondContact N-O 3.4Å; M294-S306 PolarHBondContact O-N 2.88Å; M294-L308 HydrophobicContact CB-CD1 3.69Å; M294-L308 HydrophobicContact CB-CD2 4.14Å; M294-L308 HydrophobicContact CB-CG 3.8Å; M294-L308 HydrophobicContact CG-CD1 4.41Å; M294-L365 HydrophobicContact SD-CB 4.28Å
295	V	87.8	Confident	86.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.4	173.9	-176.1	0	0	0	0	108.8	V132 W229 T279 L281 F299 S304 M305	V132-V295 HydrophobicContact CG1-CG1 4.47Å; W229-V295 HydrophobicContact CH2-CG2 4.19Å; W229-V295 HydrophobicContact CZ3-CB 4.21Å; W229-V295 HydrophobicContact CZ3-CG1 4.38Å; W229-V295 HydrophobicContact CZ3-CG2 3.77Å; T279-V295 HydrophobicContact CG2-CB 4.3Å; T279-V295 PolarHBondContact N-O 3.39Å; T279-V295 PolarHBondContact O-N 3.01Å; L281-V295 HydrophobicContact CB-CG2 4.25Å; V295-F299 HydrophobicContact CG1-CB 4.46Å; V295-F299 HydrophobicContact CG1-CD2 3.66Å; V295-F299 HydrophobicContact CG1-CE2 4.4Å; V295-F299 HydrophobicContact CG1-CG 4.48Å; V295-S304 CarbonylContact C-O 3.29Å; V295-S304 VanDerWaalsContact CA-O 3.3Å; V295-S304 WeakPolarHBondContact CA-O 3.47Å; V295-M305 HydrophobicContact CG2-CG 4.5Å
296	S	82.3	Confident	86.2	Confident	54 Å²	54	28.4 Å²	28.4	38%	0.378	18%	0.179	S	C	.	.			trans	-71	139.8	175	-57.6	0	0	0	0	110.8	P298 F299 S304	S296-P298 CarbonylContact O-C 3.56Å; S296-P298 VanDerWaalsContact O-C 3.29Å; S296-F299 PolarHBondContact O-N 3.26Å; S296-S304 PolarHBondContact N-O 3.36Å
297	V	78.9	Confident	86.4	Confident	31 Å²	31	25.2 Å²	25.2	19%	0.188	17%	0.165	C	C	.	.	S	Bend	trans	-104.5	130.8	176.4	175.5	0	0	0	0	109.3	G131 V132	G131-V297 WeakPolarHBondContact O-CG1 3.18Å; V132-V297 HydrophobicContact CG2-CG2 4.47Å
298	P	78.9	Confident	86.5	Confident	75 Å²	75	26 Å²	26	49%	0.487	17%	0.169	S	C	.	.	S	Bend	cis	-74.7	146.6	-2.8	31.5	-34.7	0	0	0	112.8	V132 K134 S296 S300	V132-P298 CarbonylContact O-C 3.57Å; V132-P298 WeakPolarHBondContact O-CA 3.29Å; K134-P298 HydrophobicContact CB-CB 4.12Å; S296-P298 CarbonylContact O-C 3.56Å; S296-P298 VanDerWaalsContact O-C 3.29Å; P298-S300 PolarHBondContact O-N 3.19Å
299	F	83.2	Confident	86.6	Confident	9 Å²	9	26.1 Å²	26.1	4%	0.039	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-68.4	121	173	179.9	-101.6	0	0	0	110.1	V132 I139 L151 T153 V164 V295 S296 G301 M305	V132-F299 HydrophobicContact CG1-CB 4.02Å; V132-F299 WeakPolarHBondContact O-CB 3.11Å; V132-F299 PolarHBondContact O-N 2.92Å; I139-F299 HydrophobicContact CD1-CB 4.33Å; I139-F299 HydrophobicContact CD1-CD1 4.07Å; I139-F299 HydrophobicContact CD1-CD2 4.23Å; I139-F299 HydrophobicContact CD1-CE1 4.39Å; I139-F299 HydrophobicContact CD1-CG 3.95Å; I139-F299 HydrophobicContact CG2-CD1 4.47Å; L151-F299 HydrophobicContact CB-CZ 4.31Å; L151-F299 HydrophobicContact CD1-CE2 4.05Å; L151-F299 HydrophobicContact CD1-CZ 3.94Å; T153-F299 HydrophobicContact CG2-CD1 3.57Å; T153-F299 HydrophobicContact CG2-CE1 3.59Å; V164-F299 HydrophobicContact CB-CZ 4.33Å; V164-F299 HydrophobicContact CG2-CE1 4.42Å; V164-F299 HydrophobicContact CG2-CE2 4.35Å; V164-F299 HydrophobicContact CG2-CZ 3.58Å; V295-F299 HydrophobicContact CG1-CB 4.46Å; V295-F299 HydrophobicContact CG1-CD2 3.66Å; V295-F299 HydrophobicContact CG1-CE2 4.4Å; V295-F299 HydrophobicContact CG1-CG 4.48Å; S296-F299 PolarHBondContact O-N 3.26Å; F299-G301 WeakPolarHBondContact CE2-O 3.42Å; F299-M305 HydrophobicContact CE2-CG 4.01Å; F299-M305 HydrophobicContact CE2-SD 4.19Å
300	S	81.6	Confident	86.6	Confident	91 Å²	91	26.1 Å²	26.1	64%	0.636	17%	0.17	S	C	*	.			trans	-117.8	4.7	-179.1	68.6	0	0	0	0	113.4	P298 S303 S304	P298-S300 PolarHBondContact O-N 3.19Å; S300-S303 PolarHBondContact OG-OG 3.08Å; S300-S304 PolarHBondContact N-OG 3.17Å; S300-S304 PolarHBondContact OG-OG 3.08Å
301	G	83.7	Confident	86.5	Confident	10 Å²	10	26.5 Å²	26.5	10%	0.103	17%	0.171	C	C	.	.	S	Bend	trans	122.5	-154.9	-175.3	0	0	0	0	0	112	F299 S303 S304	F299-G301 WeakPolarHBondContact CE2-O 3.42Å; G301-S303 VanDerWaalsContact C-N 3.26Å; G301-S303 PolarHBondContact O-N 3.04Å; G301-S304 WeakPolarHBondContact O-CB 3.37Å; G301-S304 PolarHBondContact O-N 3.18Å
302	V	82.2	Confident	86.2	Confident	31 Å²	31	27.1 Å²	27.1	19%	0.188	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-63.4	-31.3	-172.3	-167.1	0	0	0	0	113.2	V164 I169 F196 S304 M305	V164-V302 HydrophobicContact CB-CG2 4.28Å; V164-V302 HydrophobicContact CG1-CG2 3.89Å; V164-V302 HydrophobicContact CG2-CB 4.4Å; V164-V302 HydrophobicContact CG2-CG2 3.61Å; I169-V302 HydrophobicContact CD1-CB 4.31Å; I169-V302 HydrophobicContact CD1-CG1 3.43Å; I169-V302 VanDerWaalsContact CD1-CG1 3.43Å; I169-V302 HydrophobicContact CD1-CG2 3.95Å; I169-V302 HydrophobicContact CG1-CG1 4.17Å; F196-V302 HydrophobicContact CB-CG1 3.74Å; F196-V302 HydrophobicContact CD1-CB 3.72Å; F196-V302 HydrophobicContact CD1-CG1 3.13Å; F196-V302 HydrophobicContact CD1-CG2 4.07Å; F196-V302 HydrophobicContact CD2-CG1 4.45Å; F196-V302 HydrophobicContact CE1-CB 3.99Å; F196-V302 HydrophobicContact CE1-CG1 3.72Å; F196-V302 HydrophobicContact CE1-CG2 3.81Å; F196-V302 HydrophobicContact CG-CG1 3.51Å; V302-S304 PolarHBondContact O-N 2.65Å; V302-S304 VanDerWaalsContact O-N 3.13Å; V302-M305 WeakPolarHBondContact O-CB 3.39Å; V302-M305 PolarHBondContact O-N 2.96Å
303	S	82.3	Confident	85.9	Confident	103 Å²	103	30.5 Å²	30.5	72%	0.72	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-61.6	-20.4	176.7	59.2	0	0	0	0	113.6	S300 G301 M305	S300-S303 PolarHBondContact OG-OG 3.08Å; G301-S303 VanDerWaalsContact C-N 3.26Å; G301-S303 PolarHBondContact O-N 3.04Å; S303-M305 VanDerWaalsContact C-N 3.26Å
304	S	84	Confident	85.5	Confident	6 Å²	6	32.1 Å²	32.1	4%	0.042	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-84	-0.6	175.4	-55.2	0	0	0	0	112.7	V295 S296 S300 G301 V302	V295-S304 CarbonylContact C-O 3.29Å; V295-S304 VanDerWaalsContact CA-O 3.3Å; V295-S304 WeakPolarHBondContact CA-O 3.47Å; S296-S304 PolarHBondContact N-O 3.36Å; S300-S304 PolarHBondContact N-OG 3.17Å; S300-S304 PolarHBondContact OG-OG 3.08Å; G301-S304 WeakPolarHBondContact O-CB 3.37Å; G301-S304 PolarHBondContact O-N 3.18Å; V302-S304 PolarHBondContact O-N 2.65Å; V302-S304 VanDerWaalsContact O-N 3.13Å
305	M	86.3	Confident	85.4	Confident	17 Å²	17	30.8 Å²	30.8	8%	0.084	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.1	-176.5	-59.3	-171.8	66.8	0	0	111	L151 V164 L166 L281 W293 M294 V295 F299 V302 S303	L151-M305 HydrophobicContact CD1-CE 3.85Å; L151-M305 HydrophobicContact CD1-SD 3.53Å; L151-M305 VanDerWaalsContact CD1-SD 3.53Å; V164-M305 HydrophobicContact CG1-SD 4.03Å; L166-M305 HydrophobicContact CD1-CE 3.77Å; L281-M305 HydrophobicContact CD2-CE 4.18Å; W293-M305 HydrophobicContact CB-CE 4.26Å; W293-M305 HydrophobicContact CD2-CE 4.06Å; W293-M305 HydrophobicContact CE3-CB 4.18Å; W293-M305 HydrophobicContact CE3-CE 4.08Å; W293-M305 HydrophobicContact CG-CE 4.15Å; M294-M305 WeakPolarHBondContact O-CA 3.48Å; V295-M305 HydrophobicContact CG2-CG 4.5Å; F299-M305 HydrophobicContact CE2-CG 4.01Å; F299-M305 HydrophobicContact CE2-SD 4.19Å; V302-M305 WeakPolarHBondContact O-CB 3.39Å; V302-M305 PolarHBondContact O-N 2.96Å; S303-M305 VanDerWaalsContact C-N 3.26Å
306	S	87	Confident	84.8	Confident	47 Å²	47	32.2 Å²	32.2	33%	0.329	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.3	172.7	-51.4	0	0	0	0	109.7	W293 M294 L308	W293-S306 CarbonylContact C-O 3.28Å; W293-S306 WeakPolarHBondContact CA-O 3.4Å; M294-S306 PolarHBondContact N-O 3.4Å; M294-S306 PolarHBondContact O-N 2.88Å; S306-L308 PolarHBondContact O-N 3.43Å
307	L	89.9	Confident	84.3	Confident	11 Å²	11	31 Å²	31	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.3	176.9	-172.6	61.1	0	0	0	108.8	W170 Y173 P192 C291 W293 V310	W170-L307 HydrophobicContact CZ3-CD1 4.35Å; W170-L307 HydrophobicContact CZ3-CD2 4.27Å; Y173-L307 HydrophobicContact CD1-CD2 4.19Å; Y173-L307 HydrophobicContact CD2-CD2 3.69Å; Y173-L307 HydrophobicContact CE1-CD2 4.14Å; Y173-L307 HydrophobicContact CE2-CD2 3.6Å; Y173-L307 HydrophobicContact CG-CD2 3.98Å; P192-L307 HydrophobicContact CB-CD2 3.78Å; P192-L307 HydrophobicContact CB-CG 4.07Å; P192-L307 HydrophobicContact CG-CB 4.04Å; P192-L307 HydrophobicContact CG-CD2 3.79Å; P192-L307 HydrophobicContact CG-CG 3.5Å; C291-L307 HydrophobicContact CB-CD1 3.93Å; W293-L307 HydrophobicContact CD2-CB 4.38Å; W293-L307 HydrophobicContact CD2-CD1 3.85Å; W293-L307 HydrophobicContact CE3-CB 3.92Å; W293-L307 HydrophobicContact CE3-CD1 4.26Å; W293-L307 HydrophobicContact CG-CD1 4.34Å; W293-L307 HydrophobicContact CH2-CB 3.97Å; W293-L307 HydrophobicContact CH2-CD1 4.14Å; W293-L307 HydrophobicContact CH2-CD2 4.46Å; W293-L307 HydrophobicContact CH2-CG 4.4Å; W293-L307 HydrophobicContact CZ2-CB 4.45Å; W293-L307 HydrophobicContact CZ2-CD1 3.74Å; W293-L307 HydrophobicContact CZ2-CG 4.45Å; W293-L307 HydrophobicContact CZ3-CB 3.7Å; W293-L307 HydrophobicContact CZ3-CD1 4.4Å; L307-V310 HydrophobicContact CD1-CG2 4.05Å; L307-V310 HydrophobicContact CD2-CG2 3.77Å; L307-V310 HydrophobicContact CG-CG2 4.13Å
308	L	88.3	Confident	83.8	Confident	19 Å²	19	34.1 Å²	34.1	10%	0.099	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-33.1	-177.8	-67.6	-179	0	0	0	113.2	P192 F280 I292 M294 S306 L365 L367	P192-L308 WeakPolarHBondContact CD-O 3.25Å; F280-L308 HydrophobicContact CD1-CD1 3.85Å; F280-L308 HydrophobicContact CE1-CD1 3.54Å; I292-L308 WeakPolarHBondContact O-CB 3.29Å; I292-L308 PolarHBondContact O-N 2.93Å; M294-L308 HydrophobicContact CB-CD1 3.69Å; M294-L308 HydrophobicContact CB-CD2 4.14Å; M294-L308 HydrophobicContact CB-CG 3.8Å; M294-L308 HydrophobicContact CG-CD1 4.41Å; S306-L308 PolarHBondContact O-N 3.43Å; L308-L365 HydrophobicContact CD1-CD2 3.8Å; L308-L367 HydrophobicContact CB-CD1 4.21Å; L308-L367 HydrophobicContact CD1-CD1 4.27Å; L308-L367 HydrophobicContact CD1-CG 4.33Å
309	W	90.6	Very high	83.1	Confident	3 Å²	3	35 Å²	35	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	138.8	-171.5	-168.2	-87.7	0	0	0	110.8	V188 F290 C291 I292 F355 L367 P370	V188-W309 HydrophobicContact CB-CZ2 4.43Å; V188-W309 HydrophobicContact CG1-CD2 4.43Å; V188-W309 HydrophobicContact CG1-CH2 3.7Å; V188-W309 HydrophobicContact CG1-CZ2 3.18Å; V188-W309 HydrophobicContact CG2-CZ2 4.38Å; F290-W309 AromaticContact CE2-CD1 3.99Å; C291-W309 CarbonylContact C-O 3.49Å; C291-W309 WeakPolarHBondContact CA-O 3.47Å; C291-W309 VanDerWaalsContact CB-O 3.27Å; C291-W309 WeakPolarHBondContact CB-O 3.38Å; I292-W309 HydrophobicContact CB-CB 4.07Å; I292-W309 HydrophobicContact CD1-CB 4.43Å; I292-W309 HydrophobicContact CG1-CB 4.35Å; I292-W309 PolarHBondContact N-O 2.87Å; I292-W309 PolarHBondContact O-N 3.14Å; W309-F355 AromaticContact CD2-CE1 3.88Å; W309-F355 HydrophobicContact CD2-CE1 3.88Å; W309-F355 AromaticContact CE2-CE1 3.69Å; W309-F355 HydrophobicContact CE3-CE1 4.32Å; W309-F355 HydrophobicContact CG-CE1 4.25Å; W309-F355 HydrophobicContact CH2-CE1 4.46Å; W309-F355 AromaticContact CZ2-CE1 3.99Å; W309-F355 HydrophobicContact CZ2-CE1 3.99Å; W309-F355 AromaticContact NE1-CE1 3.93Å; W309-L367 HydrophobicContact CB-CD1 4.29Å; W309-L367 HydrophobicContact CE3-CB 4.15Å; W309-P370 HydrophobicContact CH2-CG 4.4Å; W309-P370 VanDerWaalsContact CZ2-CD 3.46Å; W309-P370 HydrophobicContact CZ2-CG 4.01Å
310	V	91.1	Very high	82.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.3	169	179.8	0	0	0	0	108.8	W170 Y173 V188 D189 C291 L307 Y312	W170-V310 HydrophobicContact CH2-CG1 3.81Å; W170-V310 HydrophobicContact CH2-CG2 3.93Å; W170-V310 HydrophobicContact CZ3-CG2 3.94Å; Y173-V310 HydrophobicContact CE1-CG2 3.88Å; V188-V310 CarbonylContact C-O 3.59Å; V188-V310 WeakPolarHBondContact CA-O 3.41Å; D189-V310 HydrophobicContact CB-CB 4.22Å; D189-V310 PolarHBondContact N-O 3.3Å; D189-V310 PolarHBondContact O-N 3.4Å; C291-V310 HydrophobicContact CB-CG2 4.05Å; L307-V310 HydrophobicContact CD1-CG2 4.05Å; L307-V310 HydrophobicContact CD2-CG2 3.77Å; L307-V310 HydrophobicContact CG-CG2 4.13Å; V310-Y312 HydrophobicContact CG1-CD2 3.95Å; V310-Y312 HydrophobicContact CG1-CE1 4.37Å; V310-Y312 HydrophobicContact CG1-CE2 3.34Å
311	D	90.5	Very high	80.9	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.5	-178.7	-159.5	-39.7	0	0	0	110.1	V188 A289 F290 T313	V188-D311 HydrophobicContact CG2-CB 4.49Å; A289-D311 VanDerWaalsContact CA-O 3.29Å; A289-D311 WeakPolarHBondContact CA-O 3.29Å; F290-D311 HydrophobicContact CD1-CB 3.9Å; F290-D311 HydrophobicContact CD2-CB 4.1Å; F290-D311 HydrophobicContact CE1-CB 3.42Å; F290-D311 VanDerWaalsContact CE1-CB 3.42Å; F290-D311 HydrophobicContact CE2-CB 3.63Å; F290-D311 HydrophobicContact CG-CB 4.22Å; F290-D311 HydrophobicContact CZ-CB 3.27Å; F290-D311 VanDerWaalsContact CZ-CG 3.48Å; F290-D311 VanDerWaalsContact CZ-OD2 3.27Å; F290-D311 WeakPolarHBondContact CZ-OD2 3.4Å; F290-D311 PolarHBondContact N-O 3.38Å; F290-D311 PolarHBondContact O-N 3.25Å; D311-T313 WeakPolarHBondContact OD1-CB 3.44Å; D311-T313 PolarHBondContact OD1-N 3Å; D311-T313 PolarHBondContact OD1-OG1 3.26Å
312	Y	88.4	Confident	79.6	Confident	13 Å²	13	42.9 Å²	42.9	5%	0.051	25%	0.252	C	S	.	.			trans	-111.1	5.8	177.8	-67.7	-70.8	0	0	0	112.1	R179 V186 V187 A289 V310 Y314 T315	R179-Y312 HydrophobicContact CG-CD1 3.98Å; R179-Y312 HydrophobicContact CG-CD2 4.23Å; R179-Y312 HydrophobicContact CG-CE1 4.08Å; R179-Y312 HydrophobicContact CG-CE2 4.29Å; R179-Y312 HydrophobicContact CG-CG 4.07Å; V186-Y312 VanDerWaalsContact O-CB 3.32Å; V186-Y312 WeakPolarHBondContact O-CB 3.37Å; V187-Y312 PolarHBondContact O-N 3.31Å; A289-Y312 HydrophobicContact CB-CD1 3.45Å; A289-Y312 VanDerWaalsContact CB-CD1 3.45Å; A289-Y312 HydrophobicContact CB-CE1 3.69Å; A289-Y312 HydrophobicContact CB-CG 4.48Å; V310-Y312 HydrophobicContact CG1-CD2 3.95Å; V310-Y312 HydrophobicContact CG1-CE1 4.37Å; V310-Y312 HydrophobicContact CG1-CE2 3.34Å; Y312-Y314 PolarHBondContact O-N 3.16Å; Y312-Y314 VanDerWaalsContact O-N 3.1Å; Y312-T315 VanDerWaalsContact C-OG1 3.25Å; Y312-T315 WeakPolarHBondContact CA-OG1 3.45Å; Y312-T315 WeakPolarHBondContact CB-OG1 3.48Å; Y312-T315 VanDerWaalsContact O-CB 3.26Å; Y312-T315 WeakPolarHBondContact O-CB 3.36Å; Y312-T315 PolarHBondContact O-N 2.95Å; Y312-T315 PolarHBondContact O-OG1 3.27Å
313	T	85.5	Confident	78.6	Confident	72 Å²	72	48.4 Å²	48.4	44%	0.442	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.3	-175.3	-57	0	0	0	0	113	V187 D311	V187-T313 WeakPolarHBondContact CG1-OG1 3.26Å; V187-T313 PolarHBondContact O-N 3Å; V187-T313 PolarHBondContact O-OG1 2.94Å; D311-T313 WeakPolarHBondContact OD1-CB 3.44Å; D311-T313 PolarHBondContact OD1-N 3Å; D311-T313 PolarHBondContact OD1-OG1 3.26Å
314	Y	85.1	Confident	78.3	Confident	39 Å²	39	48.7 Å²	48.7	15%	0.153	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	14.7	-178.3	-52.6	-70.8	0	0	0	114	F290 Y312 V316 P326 L343 F345 L353 L372	F290-Y314 HydrophobicContact CD1-CD2 4.49Å; F290-Y314 AromaticContact CE1-CD2 3.99Å; F290-Y314 HydrophobicContact CE1-CD2 3.99Å; F290-Y314 HydrophobicContact CE1-CE2 4.1Å; Y312-Y314 PolarHBondContact O-N 3.16Å; Y312-Y314 VanDerWaalsContact O-N 3.1Å; Y314-V316 PolarHBondContact O-N 2.95Å; Y314-P326 HydrophobicContact CG-CG 4.41Å; Y314-L343 HydrophobicContact CD2-CD1 4.05Å; Y314-L343 HydrophobicContact CE2-CD1 3.45Å; Y314-L343 VanDerWaalsContact CE2-CD1 3.45Å; Y314-F345 AromaticContact CD1-CE1 3.67Å; Y314-F345 HydrophobicContact CD1-CE1 3.67Å; Y314-F345 AromaticContact CD1-CZ 3.8Å; Y314-F345 HydrophobicContact CD1-CZ 3.8Å; Y314-F345 HydrophobicContact CE1-CE1 4.02Å; Y314-F345 AromaticContact CE1-CZ 3.7Å; Y314-F345 HydrophobicContact CE1-CZ 3.7Å; Y314-F345 HydrophobicContact CG-CE1 4.15Å; Y314-F345 HydrophobicContact CG-CZ 4.28Å; Y314-L353 HydrophobicContact CE2-CD1 4.47Å; Y314-L372 WeakPolarHBondContact OH-CD1 3.37Å
315	T	85	Confident	78.2	Confident	8 Å²	8	53.6 Å²	53.6	5%	0.049	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.6	120	-179	-46.6	0	0	0	0	110	R179 D221 S287 Y312	R179-T315 VanDerWaalsContact NH1-CG2 3.33Å; D221-T315 WeakPolarHBondContact OD1-CG2 3.43Å; S287-T315 CarbonylContact O-C 3.57Å; S287-T315 VanDerWaalsContact O-CA 3.28Å; S287-T315 WeakPolarHBondContact O-CA 3.35Å; Y312-T315 VanDerWaalsContact C-OG1 3.25Å; Y312-T315 WeakPolarHBondContact CA-OG1 3.45Å; Y312-T315 WeakPolarHBondContact CB-OG1 3.48Å; Y312-T315 VanDerWaalsContact O-CB 3.26Å; Y312-T315 WeakPolarHBondContact O-CB 3.36Å; Y312-T315 PolarHBondContact O-N 2.95Å; Y312-T315 PolarHBondContact O-OG1 3.27Å
316	V	75.6	Confident	78.3	Confident	31 Å²	31	53 Å²	53	19%	0.188	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-80.2	123.1	171.7	-178.8	0	0	0	0	108.6	S287 Y314 I322 R325	S287-V316 PolarHBondContact O-N 3.12Å; Y314-V316 PolarHBondContact O-N 2.95Å; V316-I322 HydrophobicContact CG2-CB 4.37Å; V316-I322 HydrophobicContact CG2-CG2 4.23Å; V316-R325 HydrophobicContact CG2-CB 3.74Å
317	V	72.1	Confident	78.2	Confident	27 Å²	27	52.5 Å²	52.5	16%	0.164	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-98.8	138	172.1	-169.9	0	0	0	0	107	D217 S319 D320	D217-V317 WeakPolarHBondContact OD2-CG1 3.41Å; V317-S319 WeakPolarHBondContact CG1-OG 3.36Å; V317-S319 PolarHBondContact O-N 3.28Å; V317-D320 HydrophobicContact CB-CB 4.38Å; V317-D320 PolarHBondContact O-N 3.34Å
318	R	68.1	Low	78.2	Confident	98 Å²	98	52 Å²	52	37%	0.37	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.9	179.1	-76.4	173.9	173	77.1	5.3	114	M213 F216 D217 E220 D320	M213-R318 HydrophobicContact CE-CB 3.79Å; M213-R318 HydrophobicContact CE-CG 4.43Å; F216-R318 VanDerWaalsContact CB-CZ 3.43Å; F216-R318 VanDerWaalsContact CB-NH1 3.34Å; F216-R318 PolarHBondContact O-NH1 3.47Å; D217-R318 WeakPolarHBondContact OD1-CD 3.5Å; D217-R318 VanDerWaalsContact OD1-CG 3.28Å; D217-R318 WeakPolarHBondContact OD1-CG 3.2Å; D217-R318 IonicContact OD1-CZ 3.25Å; D217-R318 IonicContact OD1-NH1 3.09Å; D217-R318 PolarHBondContact OD1-NH1 3.35Å; E220-R318 VanDerWaalsContact CD-NH2 3.35Å; E220-R318 IonicContact OE1-CZ 3.82Å; E220-R318 IonicContact OE1-NH1 2.67Å; E220-R318 IonicContact OE1-NH2 3.77Å; E220-R318 PolarHBondContact OE1-NH2 3Å; E220-R318 IonicContact OE2-NH1 3.3Å; E220-R318 IonicContact OE2-NH2 2.82Å; R318-D320 VanDerWaalsContact C-N 3.33Å
319	S	64.3	Low	78.5	Confident	94 Å²	94	51.1 Å²	51.1	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.4	172.7	60.1	0	0	0	0	113.8	V317	V317-S319 WeakPolarHBondContact CG1-OG 3.36Å; V317-S319 PolarHBondContact O-N 3.28Å
320	D	64.4	Low	78.6	Confident	73 Å²	73	53.1 Å²	53.1	39%	0.39	28%	0.279	S	S	.	.	S	Bend	trans	-104.6	129.3	-169.2	-63.1	-0.9	0	0	0	109.2	V317 R318 I322	V317-D320 HydrophobicContact CB-CB 4.38Å; V317-D320 PolarHBondContact O-N 3.34Å; R318-D320 VanDerWaalsContact C-N 3.33Å; D320-I322 HydrophobicContact CB-CD1 4.02Å; D320-I322 HydrophobicContact CB-CG1 4.02Å; D320-I322 PolarHBondContact O-N 2.82Å
321	S	53.6	Low	78.7	Confident	119 Å²	119	53.2 Å²	53.2	83%	0.832	28%	0.279	S	S	*	.			trans	-78.1	51.6	175.9	63.7	0	0	0	0	111.5
322	I	56.7	Low	78.7	Confident	83 Å²	83	53.8 Å²	53.8	43%	0.426	28%	0.281	S	S	.	.			trans	-84.4	114.9	177.6	-62.5	170.3	0	0	0	108.7	V316 D320 K324	V316-I322 HydrophobicContact CG2-CB 4.37Å; V316-I322 HydrophobicContact CG2-CG2 4.23Å; D320-I322 HydrophobicContact CB-CD1 4.02Å; D320-I322 HydrophobicContact CB-CG1 4.02Å; D320-I322 PolarHBondContact O-N 2.82Å; I322-K324 VanDerWaalsContact C-N 3.31Å; I322-K324 PolarHBondContact O-N 3.02Å
323	D	62.4	Low	78.6	Confident	147 Å²	147	54.5 Å²	54.5	79%	0.786	29%	0.286	S	S	*	.			trans	-76.9	-14.2	-178.4	-71.1	-29.6	0	0	0	114.2
324	K	75.8	Confident	78.6	Confident	108 Å²	108	51.4 Å²	51.4	47%	0.47	27%	0.266	S	S	.	.			trans	-124.7	113.3	-165.8	-56.4	-176.7	179.2	-159.7	0	111.3	I322 D347	I322-K324 VanDerWaalsContact C-N 3.31Å; I322-K324 PolarHBondContact O-N 3.02Å; K324-D347 HydrophobicContact CD-CB 4.17Å; K324-D347 WeakPolarHBondContact CD-OD2 3.41Å; K324-D347 WeakPolarHBondContact CE-OD2 3.24Å; K324-D347 HydrophobicContact CG-CB 4.09Å; K324-D347 IonicContact NZ-OD2 2.98Å; K324-D347 PolarHBondContact NZ-OD2 2.84Å
325	R	82	Confident	78.3	Confident	110 Å²	110	51 Å²	51	42%	0.415	27%	0.267	S	S	.	.			trans	-119.7	146.1	172.6	65.4	-178.4	176.3	-171.4	-5.8	111.2	V316 N327 F345 T346	V316-R325 HydrophobicContact CG2-CB 3.74Å; R325-N327 PolarHBondContact O-N 3.33Å; R325-F345 WeakPolarHBondContact O-CA 3.43Å; R325-T346 HydrophobicContact CG-CG2 3.51Å; R325-T346 PolarHBondContact N-OG1 3.02Å; R325-T346 PolarHBondContact O-N 3.09Å; R325-T346 PolarHBondContact O-OG1 3.45Å
326	P	88.1	Confident	77.6	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.032	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.4	169.4	26.1	-31.2	0	0	0	109.4	L284 G288 Y314 G344 F345	L284-P326 HydrophobicContact CD1-CB 4.16Å; L284-P326 HydrophobicContact CD1-CG 3.96Å; G288-P326 WeakPolarHBondContact O-CG 3.34Å; Y314-P326 HydrophobicContact CG-CG 4.41Å; P326-G344 CarbonylContact C-O 3.58Å; P326-G344 WeakPolarHBondContact CA-O 3.49Å; P326-F345 HydrophobicContact CB-CD1 4.44Å; P326-F345 HydrophobicContact CB-CE1 4.28Å; P326-F345 HydrophobicContact CG-CE1 4.5Å
327	N	85.6	Confident	77.6	Confident	35 Å²	35	60 Å²	60	19%	0.187	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-6.7	174.8	62.4	-14.8	0	0	0	112.5	R325 G344 T346	R325-N327 PolarHBondContact O-N 3.33Å; N327-G344 PolarHBondContact N-O 3.08Å; N327-G344 VanDerWaalsContact OD1-C 3.22Å; N327-G344 PolarHBondContact OD1-O 3.24Å; N327-T346 HydrophobicContact CB-CG2 4.14Å
328	Y	90.2	Very high	78.2	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	138.2	-178.4	176.6	-98.6	0	0	0	110.9	Y226 K330 G344 I385 L386 A387 S388	Y226-Y328 HydrophobicContact CD2-CD2 4.39Å; Y226-Y328 HydrophobicContact CE1-CD2 4.25Å; Y226-Y328 AromaticContact CE1-CE2 3.94Å; Y226-Y328 HydrophobicContact CE1-CE2 3.94Å; Y226-Y328 AromaticContact CE2-CD2 3.94Å; Y226-Y328 HydrophobicContact CE2-CD2 3.94Å; Y226-Y328 HydrophobicContact CE2-CE2 4.07Å; Y226-Y328 AromaticContact CZ-CD2 3.88Å; Y226-Y328 AromaticContact CZ-CE2 3.56Å; Y226-Y328 WeakPolarHBondContact OH-CE2 3.42Å; Y328-K330 HydrophobicContact CE1-CB 3.8Å; Y328-K330 VanDerWaalsContact OH-CB 3.29Å; Y328-K330 WeakPolarHBondContact OH-CB 3.26Å; Y328-G344 PolarHBondContact N-O 3.08Å; Y328-G344 PolarHBondContact O-N 2.91Å; Y328-I385 WeakPolarHBondContact CB-O 3.21Å; Y328-I385 HydrophobicContact CD1-CG2 3.64Å; Y328-I385 HydrophobicContact CE1-CG2 4.06Å; Y328-I385 HydrophobicContact CG-CB 4.47Å; Y328-I385 HydrophobicContact CG-CG2 3.9Å; Y328-L386 VanDerWaalsContact CE2-C 3.4Å; Y328-L386 VanDerWaalsContact CE2-O 3.24Å; Y328-L386 WeakPolarHBondContact CE2-O 3.4Å; Y328-A387 VanDerWaalsContact OH-C 3.25Å; Y328-A387 WeakPolarHBondContact OH-CA 3.39Å; Y328-S388 WeakPolarHBondContact CE1-OG 3.45Å; Y328-S388 PolarHBondContact OH-N 3.22Å; Y328-S388 PolarHBondContact OH-OG 3.39Å
329	I	93.5	Very high	79.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.7	169.9	65.5	166.4	0	0	0	111.1	Y226 A282 V283 L284 L341 V342 L343	Y226-I329 HydrophobicContact CD1-CG1 3.98Å; Y226-I329 VanDerWaalsContact CD1-O 3.22Å; Y226-I329 WeakPolarHBondContact CD1-O 3.41Å; Y226-I329 WeakPolarHBondContact CE1-O 3.32Å; A282-I329 HydrophobicContact CB-CD1 3.79Å; V283-I329 VanDerWaalsContact C-CD1 3.47Å; L284-I329 HydrophobicContact CB-CB 4.48Å; L284-I329 HydrophobicContact CB-CD1 3.72Å; L284-I329 HydrophobicContact CB-CG1 3.81Å; L284-I329 HydrophobicContact CB-CG2 3.88Å; L284-I329 HydrophobicContact CD1-CG2 4.08Å; L284-I329 HydrophobicContact CD2-CG2 4.12Å; L284-I329 HydrophobicContact CG-CG2 4.23Å; I329-L341 HydrophobicContact CB-CD1 4.14Å; I329-V342 CarbonylContact C-O 3.5Å; I329-V342 VanDerWaalsContact CA-O 3.31Å; I329-V342 WeakPolarHBondContact CA-O 3.22Å; I329-L343 HydrophobicContact CB-CD2 4.42Å; I329-L343 HydrophobicContact CG2-CD2 3.52Å
330	K	92.7	Very high	80.6	Confident	45 Å²	45	50.1 Å²	50.1	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	127.9	167.8	-165.9	78	-175.1	-176.7	0	111.4	S228 Y328 Y332 L341 V342	S228-K330 WeakPolarHBondContact OG-CA 3.27Å; S228-K330 WeakPolarHBondContact OG-CD 3.28Å; Y328-K330 HydrophobicContact CE1-CB 3.8Å; Y328-K330 VanDerWaalsContact OH-CB 3.29Å; Y328-K330 WeakPolarHBondContact OH-CB 3.26Å; K330-Y332 HydrophobicContact CB-CE2 3.93Å; K330-Y332 HydrophobicContact CG-CD2 4.44Å; K330-Y332 HydrophobicContact CG-CE1 3.79Å; K330-Y332 HydrophobicContact CG-CE2 3.64Å; K330-Y332 VanDerWaalsContact CG-OH 3.25Å; K330-Y332 WeakPolarHBondContact CG-OH 3.3Å; K330-L341 WeakPolarHBondContact O-CA 3.47Å; K330-V342 PolarHBondContact N-O 3.4Å; K330-V342 PolarHBondContact O-N 3Å
331	L	92.3	Very high	82	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.1	-178.4	-168.9	69.8	0	0	0	109.8	S228 C230 F280 A282 I292 L339 L340 L341	S228-L331 PolarHBondContact OG-N 2.9Å; C230-L331 HydrophobicContact CB-CB 4Å; C230-L331 HydrophobicContact CB-CD2 3.82Å; C230-L331 HydrophobicContact CB-CG 3.81Å; C230-L331 WeakPolarHBondContact CB-O 3.4Å; F280-L331 HydrophobicContact CB-CD2 3.49Å; F280-L331 VanDerWaalsContact CB-CD2 3.49Å; F280-L331 HydrophobicContact CG-CD2 4.23Å; A282-L331 HydrophobicContact CB-CB 4.19Å; A282-L331 HydrophobicContact CB-CD2 4.36Å; I292-L331 HydrophobicContact CD1-CD1 4.49Å; I292-L331 HydrophobicContact CG2-CD2 4.33Å; L331-L339 HydrophobicContact CD1-CB 4.12Å; L331-L339 HydrophobicContact CD1-CD1 4.46Å; L331-L339 HydrophobicContact CD2-CD1 4.45Å; L331-L339 HydrophobicContact CG-CD2 4.33Å; L331-L340 CarbonylContact C-O 3.52Å; L331-L340 WeakPolarHBondContact CA-O 3.3Å; L331-L341 HydrophobicContact CB-CD1 4.28Å; L331-L341 HydrophobicContact CD1-CB 3.93Å; L331-L341 HydrophobicContact CD1-CD1 4.12Å
332	Y	90.7	Very high	84	Confident	19 Å²	19	41 Å²	41	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.2	-179	-61.3	-68.4	0	0	0	111.9	K330 L334 L339 L340 V342 S388 A389 W390 L397	K330-Y332 HydrophobicContact CB-CE2 3.93Å; K330-Y332 HydrophobicContact CG-CD2 4.44Å; K330-Y332 HydrophobicContact CG-CE1 3.79Å; K330-Y332 HydrophobicContact CG-CE2 3.64Å; K330-Y332 VanDerWaalsContact CG-OH 3.25Å; K330-Y332 WeakPolarHBondContact CG-OH 3.3Å; Y332-L334 PolarHBondContact O-N 3.35Å; Y332-L339 CarbonylContact O-C 3.53Å; Y332-L339 WeakPolarHBondContact O-CA 3.21Å; Y332-L339 WeakPolarHBondContact O-CD2 3.26Å; Y332-L340 PolarHBondContact N-O 3.38Å; Y332-L340 PolarHBondContact O-N 3.02Å; Y332-V342 HydrophobicContact CD2-CG2 3.97Å; Y332-V342 HydrophobicContact CE2-CB 4.43Å; Y332-V342 HydrophobicContact CE2-CG2 3.79Å; Y332-S388 VanDerWaalsContact OH-CB 3.24Å; Y332-S388 WeakPolarHBondContact OH-CB 3.14Å; Y332-S388 PolarHBondContact OH-O 3.36Å; Y332-S388 PolarHBondContact OH-OG 3.3Å; Y332-A389 WeakPolarHBondContact OH-CA 3.46Å; Y332-A389 PolarHBondContact OH-N 2.99Å; Y332-W390 HydrophobicContact CD1-CB 3.36Å; Y332-W390 HydrophobicContact CD1-CG 4.24Å; Y332-W390 HydrophobicContact CD2-CB 4.06Å; Y332-W390 HydrophobicContact CE1-CB 3.59Å; Y332-W390 HydrophobicContact CE2-CB 4.27Å; Y332-W390 HydrophobicContact CG-CB 3.57Å; Y332-W390 HydrophobicContact CG-CG 4.15Å; Y332-L397 HydrophobicContact CD2-CD1 4.34Å; Y332-L397 HydrophobicContact CE2-CD1 3.77Å
333	D	86.9	Confident	85.7	Confident	29 Å²	29	37 Å²	37	16%	0.155	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	101.9	162.7	-171.2	-0.9	0	0	0	107.8	C230 I232 W390	C230-D333 PolarHBondContact SG-N 2.81Å; I232-D333 HydrophobicContact CG1-CB 4.38Å; D333-W390 VanDerWaalsContact O-CD1 3.23Å; D333-W390 PolarHBondContact O-NE1 2.74Å
334	L	85.7	Confident	87	Confident	7 Å²	7	30 Å²	30	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-50	-177.4	-178.1	61.3	0	0	0	109.7	Y332 N338 L340 V354 W390 I410 Y443	Y332-L334 PolarHBondContact O-N 3.35Å; L334-N338 HydrophobicContact CB-CB 4.39Å; L334-N338 VanDerWaalsContact CB-O 3.26Å; L334-N338 WeakPolarHBondContact CB-O 3.2Å; L334-N338 HydrophobicContact CD2-CB 4.26Å; L334-N338 PolarHBondContact N-O 3.42Å; L334-L340 HydrophobicContact CB-CB 3.84Å; L334-L340 HydrophobicContact CD1-CB 4.07Å; L334-L340 HydrophobicContact CD1-CD2 4.06Å; L334-L340 HydrophobicContact CD2-CB 4.25Å; L334-L340 HydrophobicContact CG-CB 4.27Å; L334-V354 HydrophobicContact CD2-CB 4.48Å; L334-V354 HydrophobicContact CD2-CG1 3.74Å; L334-V354 HydrophobicContact CD2-CG2 3.88Å; L334-W390 HydrophobicContact CD1-CH2 4.02Å; L334-W390 HydrophobicContact CD1-CZ2 3.82Å; L334-I410 HydrophobicContact CD1-CG2 4.32Å; L334-Y443 HydrophobicContact CD1-CD1 4.36Å; L334-Y443 HydrophobicContact CD1-CE1 4.34Å; L334-Y443 HydrophobicContact CD2-CD1 3.72Å; L334-Y443 HydrophobicContact CD2-CD2 4.17Å; L334-Y443 HydrophobicContact CD2-CE1 3.53Å; L334-Y443 HydrophobicContact CD2-CE2 3.93Å; L334-Y443 HydrophobicContact CD2-CG 4.03Å; L334-Y443 HydrophobicContact CG-CD1 4.15Å; L334-Y443 HydrophobicContact CG-CE1 3.74Å
335	D	78.1	Confident	87.6	Confident	31 Å²	31	25.1 Å²	25.1	17%	0.166	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	-179	170.2	77.3	0.5	0	0	0	111.4	L337 N338 M392 Y443	D335-L337 PolarHBondContact O-N 2.79Å; D335-L337 PolarHBondContact OD1-N 2.84Å; D335-N338 PolarHBondContact N-O 2.9Å; D335-N338 PolarHBondContact O-N 2.87Å; D335-N338 VanDerWaalsContact O-N 3.11Å; D335-N338 WeakPolarHBondContact OD1-CB 3.47Å; D335-N338 PolarHBondContact OD1-N 3.37Å; D335-N338 PolarHBondContact OD1-ND2 2.94Å; D335-M392 HydrophobicContact CB-CE 4.44Å; D335-Y443 PolarHBondContact OD1-OH 3.38Å; D335-Y443 PolarHBondContact OD2-OH 3.16Å
336	N	70.4	Confident	87.6	Confident	121 Å²	121	22 Å²	22	65%	0.647	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.2	-177.7	-61.2	-16.4	0	0	0	115.9	M392	N336-M392 WeakPolarHBondContact OD1-CE 3.2Å
337	L	76.9	Confident	87.3	Confident	106 Å²	106	22.5 Å²	22.5	56%	0.555	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-10.9	-177.4	-63.4	175.6	0	0	0	113.8	D335 I357	D335-L337 PolarHBondContact O-N 2.79Å; D335-L337 PolarHBondContact OD1-N 2.84Å; L337-I357 PolarHBondContact O-N 2.67Å
338	N	84.9	Confident	87.2	Confident	11 Å²	11	20.9 Å²	20.9	6%	0.059	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.7	-167.9	-58.7	-81.2	0	0	0	112.2	L334 D335 V354 F355 P356 Y443	L334-N338 HydrophobicContact CB-CB 4.39Å; L334-N338 VanDerWaalsContact CB-O 3.26Å; L334-N338 WeakPolarHBondContact CB-O 3.2Å; L334-N338 HydrophobicContact CD2-CB 4.26Å; L334-N338 PolarHBondContact N-O 3.42Å; D335-N338 PolarHBondContact N-O 2.9Å; D335-N338 PolarHBondContact O-N 2.87Å; D335-N338 VanDerWaalsContact O-N 3.11Å; D335-N338 WeakPolarHBondContact OD1-CB 3.47Å; D335-N338 PolarHBondContact OD1-N 3.37Å; D335-N338 PolarHBondContact OD1-ND2 2.94Å; N338-V354 HydrophobicContact CB-CG1 3.67Å; N338-F355 CarbonylContact C-O 3.49Å; N338-F355 WeakPolarHBondContact CA-O 3.49Å; N338-P356 WeakPolarHBondContact OD1-CA 3.38Å; N338-Y443 PolarHBondContact ND2-OH 3.08Å
339	L	89.6	Confident	87	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.9	166.2	-72.8	167.1	0	0	0	110	I232 F280 L331 Y332 V354 F355 I357 L367	I232-L339 HydrophobicContact CD1-CD2 3.7Å; I232-L339 HydrophobicContact CD1-CG 4.11Å; I232-L339 HydrophobicContact CG1-CD2 4.13Å; F280-L339 HydrophobicContact CD1-CD1 4.25Å; F280-L339 HydrophobicContact CD2-CD1 4.3Å; F280-L339 HydrophobicContact CD2-CD2 4.41Å; F280-L339 HydrophobicContact CE1-CD1 4.1Å; F280-L339 HydrophobicContact CE2-CD1 4.18Å; F280-L339 HydrophobicContact CE2-CD2 4.49Å; F280-L339 HydrophobicContact CG-CD1 4.33Å; F280-L339 HydrophobicContact CZ-CD1 4.05Å; L331-L339 HydrophobicContact CD1-CB 4.12Å; L331-L339 HydrophobicContact CD1-CD1 4.46Å; L331-L339 HydrophobicContact CD2-CD1 4.45Å; L331-L339 HydrophobicContact CG-CD2 4.33Å; Y332-L339 CarbonylContact O-C 3.53Å; Y332-L339 WeakPolarHBondContact O-CA 3.21Å; Y332-L339 WeakPolarHBondContact O-CD2 3.26Å; L339-V354 CarbonylContact O-C 3.55Å; L339-V354 VanDerWaalsContact O-CA 3.25Å; L339-V354 WeakPolarHBondContact O-CA 3.21Å; L339-F355 HydrophobicContact CB-CB 4.21Å; L339-F355 PolarHBondContact N-O 3.16Å; L339-F355 PolarHBondContact O-N 2.88Å; L339-I357 HydrophobicContact CD1-CD1 4.05Å; L339-I357 HydrophobicContact CD1-CG1 4.3Å; L339-I357 HydrophobicContact CD2-CD1 4.42Å; L339-I357 HydrophobicContact CG-CD1 3.68Å; L339-I357 HydrophobicContact CG-CG1 4.14Å; L339-L367 HydrophobicContact CD1-CD2 3.82Å
340	L	92.4	Very high	86.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.1	168.6	172.8	67.2	0	0	0	109.7	L331 Y332 L334 V342 L353 V354 F373 L397 I410	L331-L340 CarbonylContact C-O 3.52Å; L331-L340 WeakPolarHBondContact CA-O 3.3Å; Y332-L340 PolarHBondContact N-O 3.38Å; Y332-L340 PolarHBondContact O-N 3.02Å; L334-L340 HydrophobicContact CB-CB 3.84Å; L334-L340 HydrophobicContact CD1-CB 4.07Å; L334-L340 HydrophobicContact CD1-CD2 4.06Å; L334-L340 HydrophobicContact CD2-CB 4.25Å; L334-L340 HydrophobicContact CG-CB 4.27Å; L340-V342 HydrophobicContact CD2-CG2 3.97Å; L340-V342 HydrophobicContact CG-CG2 4Å; L340-L353 CarbonylContact C-O 3.59Å; L340-L353 WeakPolarHBondContact CA-O 3.41Å; L340-V354 HydrophobicContact CD1-CG2 3.98Å; L340-F373 HydrophobicContact CD1-CE1 3.78Å; L340-F373 HydrophobicContact CD1-CZ 4.01Å; L340-L397 HydrophobicContact CD2-CD2 4.45Å; L340-I410 HydrophobicContact CD2-CD1 3.91Å
341	L	94.7	Very high	86.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.2	166.3	-179.6	67.2	0	0	0	109	A282 F290 I329 K330 L331 L343 L353 F355	A282-L341 HydrophobicContact CB-CD1 4.38Å; F290-L341 HydrophobicContact CD2-CD2 3.83Å; F290-L341 HydrophobicContact CE2-CD2 3.47Å; F290-L341 VanDerWaalsContact CE2-CD2 3.47Å; F290-L341 HydrophobicContact CZ-CD2 3.86Å; I329-L341 HydrophobicContact CB-CD1 4.14Å; K330-L341 WeakPolarHBondContact O-CA 3.47Å; L331-L341 HydrophobicContact CB-CD1 4.28Å; L331-L341 HydrophobicContact CD1-CB 3.93Å; L331-L341 HydrophobicContact CD1-CD1 4.12Å; L341-L343 HydrophobicContact CD2-CD2 4.01Å; L341-L343 HydrophobicContact CG-CD2 4.02Å; L341-L353 HydrophobicContact CB-CB 4.15Å; L341-L353 HydrophobicContact CD2-CD1 4.14Å; L341-L353 PolarHBondContact N-O 2.96Å; L341-L353 PolarHBondContact O-N 3.24Å; L341-F355 HydrophobicContact CB-CD2 4.34Å; L341-F355 HydrophobicContact CB-CE2 3.76Å; L341-F355 HydrophobicContact CD2-CE2 3.97Å; L341-F355 HydrophobicContact CD2-CZ 4.35Å
342	V	94.2	Very high	86.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.8	173.5	179.1	0	0	0	0	108.8	I329 K330 Y332 L340 V350 L375 L397 I399	I329-V342 CarbonylContact C-O 3.5Å; I329-V342 VanDerWaalsContact CA-O 3.31Å; I329-V342 WeakPolarHBondContact CA-O 3.22Å; K330-V342 PolarHBondContact N-O 3.4Å; K330-V342 PolarHBondContact O-N 3Å; Y332-V342 HydrophobicContact CD2-CG2 3.97Å; Y332-V342 HydrophobicContact CE2-CB 4.43Å; Y332-V342 HydrophobicContact CE2-CG2 3.79Å; L340-V342 HydrophobicContact CD2-CG2 3.97Å; L340-V342 HydrophobicContact CG-CG2 4Å; V342-V350 HydrophobicContact CG1-CG1 3.78Å; V342-L375 HydrophobicContact CG1-CD1 4.14Å; V342-L375 HydrophobicContact CG2-CD1 4.18Å; V342-L397 HydrophobicContact CG2-CD1 4.13Å; V342-L397 HydrophobicContact CG2-CD2 3.93Å; V342-I399 HydrophobicContact CG1-CD1 4.11Å
343	L	92.9	Very high	86.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	175.3	-61.5	-177.6	0	0	0	109.8	Y314 I329 L341 F345 V350 K351 L353	Y314-L343 HydrophobicContact CD2-CD1 4.05Å; Y314-L343 HydrophobicContact CE2-CD1 3.45Å; Y314-L343 VanDerWaalsContact CE2-CD1 3.45Å; I329-L343 HydrophobicContact CB-CD2 4.42Å; I329-L343 HydrophobicContact CG2-CD2 3.52Å; L341-L343 HydrophobicContact CD2-CD2 4.01Å; L341-L343 HydrophobicContact CG-CD2 4.02Å; L343-F345 HydrophobicContact CB-CD2 4.49Å; L343-F345 HydrophobicContact CB-CE2 3.74Å; L343-F345 HydrophobicContact CB-CZ 4.27Å; L343-F345 HydrophobicContact CD1-CE2 4.41Å; L343-F345 HydrophobicContact CD1-CZ 4.2Å; L343-V350 WeakPolarHBondContact O-CA 3.36Å; L343-K351 PolarHBondContact N-O 3.23Å; L343-K351 PolarHBondContact O-N 3.34Å; L343-L353 HydrophobicContact CD1-CD1 3.57Å; L343-L353 HydrophobicContact CD1-CG 4.22Å; L343-L353 HydrophobicContact CG-CD1 4.23Å
344	G	90.4	Very high	86.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137	167.4	0	0	0	0	0	110.7	P326 N327 Y328 I385	P326-G344 CarbonylContact C-O 3.58Å; P326-G344 WeakPolarHBondContact CA-O 3.49Å; N327-G344 PolarHBondContact N-O 3.08Å; N327-G344 VanDerWaalsContact OD1-C 3.22Å; N327-G344 PolarHBondContact OD1-O 3.24Å; Y328-G344 PolarHBondContact N-O 3.08Å; Y328-G344 PolarHBondContact O-N 2.91Å; G344-I385 VanDerWaalsContact CA-CD1 3.46Å
345	F	88.1	Confident	87.1	Confident	5 Å²	5	19.4 Å²	19.4	2%	0.022	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157.8	-177.8	-69.6	-97.2	0	0	0	112.3	Y314 R325 P326 L343 D347 G348 S349 K351	Y314-F345 AromaticContact CD1-CE1 3.67Å; Y314-F345 HydrophobicContact CD1-CE1 3.67Å; Y314-F345 AromaticContact CD1-CZ 3.8Å; Y314-F345 HydrophobicContact CD1-CZ 3.8Å; Y314-F345 HydrophobicContact CE1-CE1 4.02Å; Y314-F345 AromaticContact CE1-CZ 3.7Å; Y314-F345 HydrophobicContact CE1-CZ 3.7Å; Y314-F345 HydrophobicContact CG-CE1 4.15Å; Y314-F345 HydrophobicContact CG-CZ 4.28Å; R325-F345 WeakPolarHBondContact O-CA 3.43Å; P326-F345 HydrophobicContact CB-CD1 4.44Å; P326-F345 HydrophobicContact CB-CE1 4.28Å; P326-F345 HydrophobicContact CG-CE1 4.5Å; L343-F345 HydrophobicContact CB-CD2 4.49Å; L343-F345 HydrophobicContact CB-CE2 3.74Å; L343-F345 HydrophobicContact CB-CZ 4.27Å; L343-F345 HydrophobicContact CD1-CE2 4.41Å; L343-F345 HydrophobicContact CD1-CZ 4.2Å; F345-D347 WeakPolarHBondContact CB-OD1 3.45Å; F345-D347 PolarHBondContact O-N 3.49Å; F345-G348 WeakPolarHBondContact O-CA 3.42Å; F345-G348 PolarHBondContact O-N 3.19Å; F345-S349 WeakPolarHBondContact CB-OG 2.98Å; F345-S349 PolarHBondContact N-O 3.33Å; F345-K351 HydrophobicContact CD2-CG 4.39Å; F345-K351 HydrophobicContact CE2-CB 4.11Å; F345-K351 HydrophobicContact CE2-CD 3.76Å; F345-K351 HydrophobicContact CE2-CG 3.77Å; F345-K351 HydrophobicContact CZ-CD 4.13Å
346	T	82.3	Confident	87.4	Confident	45 Å²	45	19.2 Å²	19.2	28%	0.276	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.2	177.8	47.2	0	0	0	0	114.7	R325 N327	R325-T346 HydrophobicContact CG-CG2 3.51Å; R325-T346 PolarHBondContact N-OG1 3.02Å; R325-T346 PolarHBondContact O-N 3.09Å; R325-T346 PolarHBondContact O-OG1 3.45Å; N327-T346 HydrophobicContact CB-CG2 4.14Å
347	D	81.4	Confident	87.9	Confident	16 Å²	16	14.3 Å²	14.3	9%	0.086	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.2	172.3	71.3	-26	0	0	0	112.6	K324 F345 S349 P379	K324-D347 HydrophobicContact CD-CB 4.17Å; K324-D347 WeakPolarHBondContact CD-OD2 3.41Å; K324-D347 WeakPolarHBondContact CE-OD2 3.24Å; K324-D347 HydrophobicContact CG-CB 4.09Å; K324-D347 IonicContact NZ-OD2 2.98Å; K324-D347 PolarHBondContact NZ-OD2 2.84Å; F345-D347 WeakPolarHBondContact CB-OD1 3.45Å; F345-D347 PolarHBondContact O-N 3.49Å; D347-S349 WeakPolarHBondContact OD1-CB 3.44Å; D347-S349 PolarHBondContact OD1-N 2.89Å; D347-S349 PolarHBondContact OD1-OG 3.32Å; D347-S349 PolarHBondContact OD2-OG 3.15Å; D347-P379 WeakPolarHBondContact O-CB 3.19Å
348	G	82.8	Confident	87.8	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	86.6	11.5	-174.4	0	0	0	0	0	113.7	F345 Y401	F345-G348 WeakPolarHBondContact O-CA 3.42Å; F345-G348 PolarHBondContact O-N 3.19Å; G348-Y401 VanDerWaalsContact C-OH 3.29Å; G348-Y401 WeakPolarHBondContact CA-OH 3.36Å; G348-Y401 WeakPolarHBondContact O-CE2 3.46Å; G348-Y401 VanDerWaalsContact O-CZ 3.3Å; G348-Y401 PolarHBondContact O-OH 3.33Å
349	S	87.2	Confident	87.2	Confident	12 Å²	12	17.8 Å²	17.8	8%	0.084	9%	0.087	C	C	.	.			trans	-77.1	149.9	167.4	64	0	0	0	0	111.2	F345 D347 W376	F345-S349 WeakPolarHBondContact CB-OG 2.98Å; F345-S349 PolarHBondContact N-O 3.33Å; D347-S349 WeakPolarHBondContact OD1-CB 3.44Å; D347-S349 PolarHBondContact OD1-N 2.89Å; D347-S349 PolarHBondContact OD1-OG 3.32Å; D347-S349 PolarHBondContact OD2-OG 3.15Å; S349-W376 WeakPolarHBondContact CA-O 3.3Å
350	V	89.9	Confident	86	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.5	176.3	-170.3	0	0	0	0	109.4	V342 L343 L375 W376 I385 I399 Y401	V342-V350 HydrophobicContact CG1-CG1 3.78Å; L343-V350 WeakPolarHBondContact O-CA 3.36Å; V350-L375 HydrophobicContact CB-CB 4.03Å; V350-L375 HydrophobicContact CG1-CB 3.82Å; V350-L375 HydrophobicContact CG1-CD1 3.79Å; V350-L375 HydrophobicContact CG1-CG 4.46Å; V350-L375 PolarHBondContact O-N 3.3Å; V350-W376 HydrophobicContact CB-CB 3.83Å; V350-W376 HydrophobicContact CG2-CB 3.82Å; V350-W376 PolarHBondContact N-O 3.16Å; V350-W376 PolarHBondContact O-N 3.44Å; V350-I385 HydrophobicContact CG2-CD1 3.51Å; V350-I385 HydrophobicContact CG2-CG1 4.34Å; V350-I399 HydrophobicContact CG1-CD1 3.63Å; V350-I399 HydrophobicContact CG2-CD1 4.41Å; V350-Y401 HydrophobicContact CG2-CE2 4.46Å
351	K	90.3	Very high	84.2	Confident	53 Å²	53	25.4 Å²	25.4	23%	0.23	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.5	176.9	-56.1	-172.1	-177.3	179.3	0	111.1	L343 F345 L372	L343-K351 PolarHBondContact N-O 3.23Å; L343-K351 PolarHBondContact O-N 3.34Å; F345-K351 HydrophobicContact CD2-CG 4.39Å; F345-K351 HydrophobicContact CE2-CB 4.11Å; F345-K351 HydrophobicContact CE2-CD 3.76Å; F345-K351 HydrophobicContact CE2-CG 3.77Å; F345-K351 HydrophobicContact CZ-CD 4.13Å; K351-L372 HydrophobicContact CB-CD1 4.17Å; K351-L372 HydrophobicContact CD-CD1 3.87Å; K351-L372 HydrophobicContact CD-CD2 4.19Å; K351-L372 HydrophobicContact CD-CG 4.42Å
352	G	91.5	Very high	82.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.4	170.4	0	0	0	0	0	110.1	L372 F373	G352-L372 WeakPolarHBondContact O-CA 3.28Å; G352-F373 PolarHBondContact N-O 3.43Å; G352-F373 VanDerWaalsContact O-CD1 3.31Å; G352-F373 WeakPolarHBondContact O-CD1 3.46Å; G352-F373 PolarHBondContact O-N 2.81Å
353	L	91.9	Very high	80.9	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.2	168.1	-76	170.8	0	0	0	108.4	F290 Y314 L340 L341 L343 F355 P370 L372	F290-L353 HydrophobicContact CE1-CD1 4.27Å; F290-L353 HydrophobicContact CZ-CD1 3.79Å; Y314-L353 HydrophobicContact CE2-CD1 4.47Å; L340-L353 CarbonylContact C-O 3.59Å; L340-L353 WeakPolarHBondContact CA-O 3.41Å; L341-L353 HydrophobicContact CB-CB 4.15Å; L341-L353 HydrophobicContact CD2-CD1 4.14Å; L341-L353 PolarHBondContact N-O 2.96Å; L341-L353 PolarHBondContact O-N 3.24Å; L343-L353 HydrophobicContact CD1-CD1 3.57Å; L343-L353 HydrophobicContact CD1-CG 4.22Å; L343-L353 HydrophobicContact CG-CD1 4.23Å; L353-F355 HydrophobicContact CB-CE2 3.88Å; L353-F355 HydrophobicContact CB-CZ 4.46Å; L353-P370 HydrophobicContact CB-CB 4.45Å; L353-P370 HydrophobicContact CD2-CB 4.23Å; L353-P370 HydrophobicContact CD2-CG 4.32Å; L353-L372 HydrophobicContact CD2-CB 3.89Å; L353-L372 HydrophobicContact CD2-CD1 3.6Å; L353-L372 HydrophobicContact CD2-CG 4.27Å; L353-L372 HydrophobicContact CG-CD1 4.15Å
354	V	90.4	Very high	79.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.6	178.6	-176.9	0	0	0	0	109.6	L334 N338 L339 L340 P356 P370 Y371 F373 Y443	L334-V354 HydrophobicContact CD2-CB 4.48Å; L334-V354 HydrophobicContact CD2-CG1 3.74Å; L334-V354 HydrophobicContact CD2-CG2 3.88Å; N338-V354 HydrophobicContact CB-CG1 3.67Å; L339-V354 CarbonylContact O-C 3.55Å; L339-V354 VanDerWaalsContact O-CA 3.25Å; L339-V354 WeakPolarHBondContact O-CA 3.21Å; L340-V354 HydrophobicContact CD1-CG2 3.98Å; V354-P356 WeakPolarHBondContact O-CD 3.44Å; V354-P370 WeakPolarHBondContact O-CA 3.05Å; V354-P370 WeakPolarHBondContact O-CB 3.39Å; V354-Y371 HydrophobicContact CB-CD1 4.14Å; V354-Y371 HydrophobicContact CB-CE1 3.48Å; V354-Y371 VanDerWaalsContact CB-CE1 3.48Å; V354-Y371 HydrophobicContact CB-CE2 4.04Å; V354-Y371 VanDerWaalsContact CB-OH 3.26Å; V354-Y371 WeakPolarHBondContact CB-OH 3.24Å; V354-Y371 HydrophobicContact CG1-CE1 3.67Å; V354-Y371 VanDerWaalsContact CG1-OH 3.31Å; V354-Y371 WeakPolarHBondContact CG1-OH 3.43Å; V354-Y371 HydrophobicContact CG2-CE1 4.27Å; V354-Y371 HydrophobicContact CG2-CE2 4Å; V354-Y371 VanDerWaalsContact CG2-OH 3.22Å; V354-Y371 WeakPolarHBondContact CG2-OH 3.49Å; V354-Y371 PolarHBondContact N-O 2.88Å; V354-Y371 PolarHBondContact O-N 3.33Å; V354-Y371 VanDerWaalsContact O-N 3.16Å; V354-F373 HydrophobicContact CG2-CD1 4.03Å; V354-F373 HydrophobicContact CG2-CE1 3.55Å; V354-Y443 HydrophobicContact CG1-CE2 4.49Å
355	F	88.9	Confident	79.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.7	177.8	-63.3	-96.1	0	0	0	109.8	F290 I292 W309 N338 L339 L341 L353 L367 P370	F290-F355 HydrophobicContact CE2-CZ 4.28Å; I292-F355 HydrophobicContact CD1-CE1 4.37Å; I292-F355 HydrophobicContact CD1-CE2 4.09Å; I292-F355 HydrophobicContact CD1-CZ 4.01Å; W309-F355 AromaticContact CD2-CE1 3.88Å; W309-F355 HydrophobicContact CD2-CE1 3.88Å; W309-F355 AromaticContact CE2-CE1 3.69Å; W309-F355 HydrophobicContact CE3-CE1 4.32Å; W309-F355 HydrophobicContact CG-CE1 4.25Å; W309-F355 HydrophobicContact CH2-CE1 4.46Å; W309-F355 AromaticContact CZ2-CE1 3.99Å; W309-F355 HydrophobicContact CZ2-CE1 3.99Å; W309-F355 AromaticContact NE1-CE1 3.93Å; N338-F355 CarbonylContact C-O 3.49Å; N338-F355 WeakPolarHBondContact CA-O 3.49Å; L339-F355 HydrophobicContact CB-CB 4.21Å; L339-F355 PolarHBondContact N-O 3.16Å; L339-F355 PolarHBondContact O-N 2.88Å; L341-F355 HydrophobicContact CB-CD2 4.34Å; L341-F355 HydrophobicContact CB-CE2 3.76Å; L341-F355 HydrophobicContact CD2-CE2 3.97Å; L341-F355 HydrophobicContact CD2-CZ 4.35Å; L353-F355 HydrophobicContact CB-CE2 3.88Å; L353-F355 HydrophobicContact CB-CZ 4.46Å; F355-L367 HydrophobicContact CB-CD2 4.33Å; F355-L367 HydrophobicContact CD1-CB 4.31Å; F355-L367 HydrophobicContact CD1-CD1 4.43Å; F355-P370 HydrophobicContact CD1-CB 3.71Å; F355-P370 HydrophobicContact CD1-CG 3.97Å; F355-P370 HydrophobicContact CD2-CB 4.26Å; F355-P370 HydrophobicContact CE1-CB 3.68Å; F355-P370 HydrophobicContact CE1-CG 3.51Å; F355-P370 HydrophobicContact CE2-CB 4.22Å; F355-P370 HydrophobicContact CG-CB 4.01Å; F355-P370 HydrophobicContact CZ-CB 3.94Å; F355-P370 HydrophobicContact CZ-CG 3.88Å
356	P	84.8	Confident	78.5	Confident	26 Å²	26	38.7 Å²	38.7	17%	0.169	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.4	167.5	-9.6	21.9	0	0	0	110.1	N338 V354 T368	N338-P356 WeakPolarHBondContact OD1-CA 3.38Å; V354-P356 WeakPolarHBondContact O-CD 3.44Å; P356-T368 WeakPolarHBondContact CB-OG1 3.28Å; P356-T368 WeakPolarHBondContact CD-OG1 3.09Å; P356-T368 WeakPolarHBondContact CG-OG1 3.33Å; P356-T368 PolarHBondContact O-N 3.35Å; P356-T368 PolarHBondContact O-OG1 3.28Å
357	I	80.5	Confident	78.5	Confident	18 Å²	18	36.7 Å²	36.7	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.4	-177.9	-47.1	174.3	0	0	0	109.2	I232 L337 L339 L365 L367	I232-I357 HydrophobicContact CD1-CD1 3.05Å; L337-I357 PolarHBondContact O-N 2.67Å; L339-I357 HydrophobicContact CD1-CD1 4.05Å; L339-I357 HydrophobicContact CD1-CG1 4.3Å; L339-I357 HydrophobicContact CD2-CD1 4.42Å; L339-I357 HydrophobicContact CG-CD1 3.68Å; L339-I357 HydrophobicContact CG-CG1 4.14Å; I357-L365 HydrophobicContact CG2-CD1 4.01Å; I357-L365 HydrophobicContact CG2-CD2 4.19Å; I357-L365 HydrophobicContact CG2-CG 3.88Å; I357-L367 HydrophobicContact CG1-CD2 4.17Å
358	E	75	Confident	78.4	Confident	115 Å²	115	37.3 Å²	37.3	54%	0.537	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.8	176.4	-65.7	-177.4	171.8	0	0	110	V366 T368	E358-V366 PolarHBondContact N-O 2.89Å; E358-V366 PolarHBondContact O-N 2.71Å; E358-T368 HydrophobicContact CB-CG2 4.33Å; E358-T368 VanDerWaalsContact CD-CG2 3.41Å; E358-T368 HydrophobicContact CG-CG2 3.79Å; E358-T368 WeakPolarHBondContact OE2-CG2 3.49Å
359	Y	71.9	Confident	78.3	Confident	76 Å²	76	42.6 Å²	42.6	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130	161.1	-73.8	-74.6	0	0	0	108.1	R234 L275 I364 L365	R234-Y359 WeakPolarHBondContact CD-OH 3.24Å; R234-Y359 PolarHBondContact NE-OH 3.19Å; R234-Y359 VanDerWaalsContact NE-OH 3.09Å; R234-Y359 PolarHBondContact NH1-OH 2.76Å; L275-Y359 HydrophobicContact CD1-CD2 4.19Å; L275-Y359 HydrophobicContact CD1-CE1 3.93Å; L275-Y359 HydrophobicContact CD1-CE2 3.47Å; L275-Y359 VanDerWaalsContact CD1-CE2 3.47Å; L275-Y359 WeakPolarHBondContact CD1-OH 3.04Å; L275-Y359 HydrophobicContact CD2-CD1 4.39Å; L275-Y359 HydrophobicContact CD2-CE1 3.44Å; L275-Y359 VanDerWaalsContact CD2-CE1 3.44Å; L275-Y359 HydrophobicContact CD2-CE2 4.47Å; L275-Y359 VanDerWaalsContact CD2-CZ 3.48Å; L275-Y359 VanDerWaalsContact CD2-OH 3.24Å; L275-Y359 WeakPolarHBondContact CD2-OH 3.17Å; L275-Y359 HydrophobicContact CG-CE1 4.29Å; Y359-I364 CarbonylContact C-O 3.56Å; Y359-I364 WeakPolarHBondContact CA-O 3.38Å; Y359-L365 HydrophobicContact CD1-CB 4.19Å; Y359-L365 HydrophobicContact CE1-CB 3.96Å; Y359-L365 HydrophobicContact CE1-CD1 4.15Å; Y359-L365 HydrophobicContact CE1-CG 4.44Å
360	S	64.9	Low	78.2	Confident	30 Å²	30	43.2 Å²	43.2	21%	0.21	25%	0.25	C	S	.	.			trans	-59.9	160.2	166.6	69.9	0	0	0	0	109.9	T362 G363 I364	S360-T362 PolarHBondContact O-N 2.76Å; S360-T362 VanDerWaalsContact O-N 3.07Å; S360-T362 PolarHBondContact OG-N 3.43Å; S360-T362 PolarHBondContact OG-OG1 3.34Å; S360-G363 PolarHBondContact O-N 2.9Å; S360-G363 PolarHBondContact OG-N 3.04Å; S360-I364 PolarHBondContact N-O 3.3Å; S360-I364 WeakPolarHBondContact OG-CB 3.38Å; S360-I364 PolarHBondContact OG-N 2.89Å; S360-I364 PolarHBondContact OG-O 3.2Å
361	P	54.7	Low	77.9	Confident	129 Å²	129	45.4 Å²	45.4	84%	0.838	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.1	169.7	-25.5	34.8	0	0	0	113.4	G363	P361-G363 VanDerWaalsContact C-N 3.3Å
362	T	56.3	Low	77.8	Confident	105 Å²	105	46.3 Å²	46.3	64%	0.644	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	0.3	175.5	57.5	0	0	0	0	114	S360	S360-T362 PolarHBondContact O-N 2.76Å; S360-T362 VanDerWaalsContact O-N 3.07Å; S360-T362 PolarHBondContact OG-N 3.43Å; S360-T362 PolarHBondContact OG-OG1 3.34Å
363	G	64	Low	77.5	Confident	42 Å²	42	47 Å²	47	43%	0.433	27%	0.269	S	S	.	.	S	Bend	trans	83.6	6.2	-179.2	0	0	0	0	0	115	S360 P361	S360-G363 PolarHBondContact O-N 2.9Å; S360-G363 PolarHBondContact OG-N 3.04Å; P361-G363 VanDerWaalsContact C-N 3.3Å
364	I	69.2	Low	77.3	Confident	105 Å²	105	50.8 Å²	50.8	54%	0.538	29%	0.289	S	S	.	.			trans	-81.4	130.9	178	-58.2	173.1	0	0	0	109.1	Y359 S360	Y359-I364 CarbonylContact C-O 3.56Å; Y359-I364 WeakPolarHBondContact CA-O 3.38Å; S360-I364 PolarHBondContact N-O 3.3Å; S360-I364 WeakPolarHBondContact OG-CB 3.38Å; S360-I364 PolarHBondContact OG-N 2.89Å; S360-I364 PolarHBondContact OG-O 3.2Å
365	L	75.6	Confident	77.2	Confident	9 Å²	9	51 Å²	51	5%	0.047	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.6	174.8	-174.1	149.2	0	0	0	110.9	V278 F280 M294 L308 I357 Y359 L367	V278-L365 HydrophobicContact CB-CD1 4.31Å; V278-L365 HydrophobicContact CG1-CD1 3.95Å; V278-L365 HydrophobicContact CG2-CD1 3.97Å; F280-L365 HydrophobicContact CE1-CD2 3.85Å; F280-L365 HydrophobicContact CZ-CD1 4Å; F280-L365 HydrophobicContact CZ-CD2 4Å; M294-L365 HydrophobicContact SD-CB 4.28Å; L308-L365 HydrophobicContact CD1-CD2 3.8Å; I357-L365 HydrophobicContact CG2-CD1 4.01Å; I357-L365 HydrophobicContact CG2-CD2 4.19Å; I357-L365 HydrophobicContact CG2-CG 3.88Å; Y359-L365 HydrophobicContact CD1-CB 4.19Å; Y359-L365 HydrophobicContact CE1-CB 3.96Å; Y359-L365 HydrophobicContact CE1-CD1 4.15Å; Y359-L365 HydrophobicContact CE1-CG 4.44Å; L365-L367 HydrophobicContact CD2-CD2 4.44Å
366	V	75.9	Confident	76.9	Confident	23 Å²	23	51.9 Å²	51.9	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.1	178.6	-176.8	0	0	0	0	109.5	E358	E358-V366 PolarHBondContact N-O 2.89Å; E358-V366 PolarHBondContact O-N 2.71Å
367	L	81.8	Confident	76.4	Confident	4 Å²	4	55 Å²	55	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.3	166.4	-60.7	-179.4	0	0	0	108.7	I292 L308 W309 L339 F355 I357 L365	I292-L367 HydrophobicContact CB-CD1 4.35Å; I292-L367 HydrophobicContact CD1-CD1 3.99Å; I292-L367 HydrophobicContact CG2-CD1 4.12Å; L308-L367 HydrophobicContact CB-CD1 4.21Å; L308-L367 HydrophobicContact CD1-CD1 4.27Å; L308-L367 HydrophobicContact CD1-CG 4.33Å; W309-L367 HydrophobicContact CB-CD1 4.29Å; W309-L367 HydrophobicContact CE3-CB 4.15Å; L339-L367 HydrophobicContact CD1-CD2 3.82Å; F355-L367 HydrophobicContact CB-CD2 4.33Å; F355-L367 HydrophobicContact CD1-CB 4.31Å; F355-L367 HydrophobicContact CD1-CD1 4.43Å; I357-L367 HydrophobicContact CG1-CD2 4.17Å; L365-L367 HydrophobicContact CD2-CD2 4.44Å
368	T	79.6	Confident	76	Confident	29 Å²	29	58 Å²	58	18%	0.178	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-87.9	168.4	175.3	62.4	0	0	0	0	111	P356 E358 P370	P356-T368 WeakPolarHBondContact CB-OG1 3.28Å; P356-T368 WeakPolarHBondContact CD-OG1 3.09Å; P356-T368 WeakPolarHBondContact CG-OG1 3.33Å; P356-T368 PolarHBondContact O-N 3.35Å; P356-T368 PolarHBondContact O-OG1 3.28Å; E358-T368 HydrophobicContact CB-CG2 4.33Å; E358-T368 VanDerWaalsContact CD-CG2 3.41Å; E358-T368 HydrophobicContact CG-CG2 3.79Å; E358-T368 WeakPolarHBondContact OE2-CG2 3.49Å; T368-P370 WeakPolarHBondContact O-CD 3.48Å; T368-P370 VanDerWaalsContact O-N 3.15Å
369	V	80.4	Confident	75.5	Confident	111 Å²	111	55.9 Å²	55.9	67%	0.673	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-52.9	121.5	179.9	179.9	0	0	0	0	109.7
370	P	84.2	Confident	75	Confident	25 Å²	25	54.9 Å²	54.9	16%	0.162	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.9	153.7	-179.5	30.3	-35.7	0	0	0	110.5	W309 L353 V354 F355 T368	W309-P370 HydrophobicContact CH2-CG 4.4Å; W309-P370 VanDerWaalsContact CZ2-CD 3.46Å; W309-P370 HydrophobicContact CZ2-CG 4.01Å; L353-P370 HydrophobicContact CB-CB 4.45Å; L353-P370 HydrophobicContact CD2-CB 4.23Å; L353-P370 HydrophobicContact CD2-CG 4.32Å; V354-P370 WeakPolarHBondContact O-CA 3.05Å; V354-P370 WeakPolarHBondContact O-CB 3.39Å; F355-P370 HydrophobicContact CD1-CB 3.71Å; F355-P370 HydrophobicContact CD1-CG 3.97Å; F355-P370 HydrophobicContact CD2-CB 4.26Å; F355-P370 HydrophobicContact CE1-CB 3.68Å; F355-P370 HydrophobicContact CE1-CG 3.51Å; F355-P370 HydrophobicContact CE2-CB 4.22Å; F355-P370 HydrophobicContact CG-CB 4.01Å; F355-P370 HydrophobicContact CZ-CB 3.94Å; F355-P370 HydrophobicContact CZ-CG 3.88Å; T368-P370 WeakPolarHBondContact O-CD 3.48Å; T368-P370 VanDerWaalsContact O-N 3.15Å
371	Y	84.8	Confident	74.8	Confident	46 Å²	46	63.4 Å²	63.4	18%	0.18	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	151.6	161	71.2	-88.4	0	0	0	109.7	V354 F373 P441 L442 Y443	V354-Y371 HydrophobicContact CB-CD1 4.14Å; V354-Y371 HydrophobicContact CB-CE1 3.48Å; V354-Y371 VanDerWaalsContact CB-CE1 3.48Å; V354-Y371 HydrophobicContact CB-CE2 4.04Å; V354-Y371 VanDerWaalsContact CB-OH 3.26Å; V354-Y371 WeakPolarHBondContact CB-OH 3.24Å; V354-Y371 HydrophobicContact CG1-CE1 3.67Å; V354-Y371 VanDerWaalsContact CG1-OH 3.31Å; V354-Y371 WeakPolarHBondContact CG1-OH 3.43Å; V354-Y371 HydrophobicContact CG2-CE1 4.27Å; V354-Y371 HydrophobicContact CG2-CE2 4Å; V354-Y371 VanDerWaalsContact CG2-OH 3.22Å; V354-Y371 WeakPolarHBondContact CG2-OH 3.49Å; V354-Y371 PolarHBondContact N-O 2.88Å; V354-Y371 PolarHBondContact O-N 3.33Å; V354-Y371 VanDerWaalsContact O-N 3.16Å; Y371-F373 HydrophobicContact CE2-CD1 4.29Å; Y371-P441 HydrophobicContact CD2-CB 3.88Å; Y371-P441 HydrophobicContact CE2-CB 3.83Å; Y371-L442 HydrophobicContact CE1-CB 4.5Å; Y371-Y443 WeakPolarHBondContact OH-CD2 3.34Å; Y371-Y443 WeakPolarHBondContact OH-CE2 3.49Å
372	L	86.8	Confident	75	Confident	72 Å²	72	64.3 Å²	64.3	38%	0.377	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.9	-174.4	-179	121.8	0	0	0	110	Y314 K351 G352 L353	Y314-L372 WeakPolarHBondContact OH-CD1 3.37Å; K351-L372 HydrophobicContact CB-CD1 4.17Å; K351-L372 HydrophobicContact CD-CD1 3.87Å; K351-L372 HydrophobicContact CD-CD2 4.19Å; K351-L372 HydrophobicContact CD-CG 4.42Å; G352-L372 WeakPolarHBondContact O-CA 3.28Å; L353-L372 HydrophobicContact CD2-CB 3.89Å; L353-L372 HydrophobicContact CD2-CD1 3.6Å; L353-L372 HydrophobicContact CD2-CG 4.27Å; L353-L372 HydrophobicContact CG-CD1 4.15Å
373	F	86.6	Confident	75.5	Confident	15 Å²	15	60.1 Å²	60.1	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.9	166.5	72.3	-76.6	0	0	0	110.4	L340 G352 V354 Y371 L375 I410 P441 V445	L340-F373 HydrophobicContact CD1-CE1 3.78Å; L340-F373 HydrophobicContact CD1-CZ 4.01Å; G352-F373 PolarHBondContact N-O 3.43Å; G352-F373 VanDerWaalsContact O-CD1 3.31Å; G352-F373 WeakPolarHBondContact O-CD1 3.46Å; G352-F373 PolarHBondContact O-N 2.81Å; V354-F373 HydrophobicContact CG2-CD1 4.03Å; V354-F373 HydrophobicContact CG2-CE1 3.55Å; Y371-F373 HydrophobicContact CE2-CD1 4.29Å; F373-L375 HydrophobicContact CD2-CD2 4.37Å; F373-L375 HydrophobicContact CD2-CG 4.5Å; F373-L375 HydrophobicContact CE2-CD2 3.42Å; F373-L375 VanDerWaalsContact CE2-CD2 3.42Å; F373-L375 HydrophobicContact CE2-CG 3.86Å; F373-L375 HydrophobicContact CZ-CD2 3.88Å; F373-L375 HydrophobicContact CZ-CG 4.23Å; F373-I410 HydrophobicContact CZ-CD1 4.45Å; F373-P441 HydrophobicContact CB-CB 4.44Å; F373-V445 HydrophobicContact CE2-CG2 4.31Å
374	N	87	Confident	75.8	Confident	87 Å²	87	60.4 Å²	60.4	47%	0.465	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.6	178.8	-65.9	-42.4	0	0	0	109.6	T377	N374-T377 HydrophobicContact CB-CG2 3.62Å
375	L	87.6	Confident	76.3	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-41.5	172.9	-75.3	165.4	0	0	0	110.4	V342 V350 F373 L397 F408 I410 V445	V342-L375 HydrophobicContact CG1-CD1 4.14Å; V342-L375 HydrophobicContact CG2-CD1 4.18Å; V350-L375 HydrophobicContact CB-CB 4.03Å; V350-L375 HydrophobicContact CG1-CB 3.82Å; V350-L375 HydrophobicContact CG1-CD1 3.79Å; V350-L375 HydrophobicContact CG1-CG 4.46Å; V350-L375 PolarHBondContact O-N 3.3Å; F373-L375 HydrophobicContact CD2-CD2 4.37Å; F373-L375 HydrophobicContact CD2-CG 4.5Å; F373-L375 HydrophobicContact CE2-CD2 3.42Å; F373-L375 VanDerWaalsContact CE2-CD2 3.42Å; F373-L375 HydrophobicContact CE2-CG 3.86Å; F373-L375 HydrophobicContact CZ-CD2 3.88Å; F373-L375 HydrophobicContact CZ-CG 4.23Å; L375-L397 HydrophobicContact CD1-CD2 3.68Å; L375-L397 HydrophobicContact CD2-CD2 3.94Å; L375-L397 HydrophobicContact CG-CD2 4.46Å; L375-F408 WeakPolarHBondContact O-CE1 3.46Å; L375-I410 HydrophobicContact CD2-CD1 4.11Å; L375-V445 HydrophobicContact CD2-CG2 3.85Å
376	W	83.2	Confident	76.7	Confident	18 Å²	18	57.3 Å²	57.3	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	121.8	-178.2	-167.8	-102.5	0	0	0	110.5	S349 V350 T378 L380 L406 F408 Q448 V450	S349-W376 WeakPolarHBondContact CA-O 3.3Å; V350-W376 HydrophobicContact CB-CB 3.83Å; V350-W376 HydrophobicContact CG2-CB 3.82Å; V350-W376 PolarHBondContact N-O 3.16Å; V350-W376 PolarHBondContact O-N 3.44Å; W376-T378 WeakPolarHBondContact CZ2-OG1 3.44Å; W376-T378 PolarHBondContact NE1-O 2.67Å; W376-L380 HydrophobicContact CZ2-CD1 4.4Å; W376-L406 HydrophobicContact CD2-CD1 3.91Å; W376-L406 HydrophobicContact CE3-CD1 4.36Å; W376-L406 HydrophobicContact CG-CD1 4.01Å; W376-L406 HydrophobicContact CH2-CD2 4.19Å; W376-L406 HydrophobicContact CZ2-CD2 4.19Å; W376-L406 HydrophobicContact CZ3-CD2 4.44Å; W376-F408 HydrophobicContact CB-CZ 4.04Å; W376-F408 HydrophobicContact CD2-CZ 4.28Å; W376-F408 AromaticContact CE3-CE1 3.73Å; W376-F408 HydrophobicContact CE3-CE1 3.73Å; W376-F408 AromaticContact CE3-CZ 3.74Å; W376-F408 HydrophobicContact CE3-CZ 3.74Å; W376-F408 HydrophobicContact CG-CZ 4.45Å; W376-F408 HydrophobicContact CZ3-CE1 4.38Å; W376-Q448 HydrophobicContact CZ3-CB 4.46Å; W376-Q448 HydrophobicContact CZ3-CG 4.31Å; W376-Q448 VanDerWaalsContact CZ3-OE1 3.28Å; W376-V450 HydrophobicContact CH2-CG2 3.94Å
377	T	74.8	Confident	77.2	Confident	90 Å²	90	56.4 Å²	56.4	55%	0.552	30%	0.296	S	S	*	.			trans	-113.4	-13.9	-177	54.4	0	0	0	0	113.9	N374 P379	N374-T377 HydrophobicContact CB-CG2 3.62Å; T377-P379 WeakPolarHBondContact O-CD 3.38Å
378	T	71.9	Confident	77.7	Confident	81 Å²	81	56.5 Å²	56.5	50%	0.497	30%	0.297	S	S	.	.	S	Bend	trans	-90.1	98.4	-179.1	33.3	0	0	0	0	110.7	W376 L380	W376-T378 WeakPolarHBondContact CZ2-OG1 3.44Å; W376-T378 PolarHBondContact NE1-O 2.67Å; T378-L380 PolarHBondContact O-N 2.82Å
379	P	64.2	Low	78.2	Confident	72 Å²	72	55.5 Å²	55.5	47%	0.468	29%	0.291	S	S	.	.			trans	-66.7	121	-179	30.7	-36.5	0	0	0	110	D347 T377 Y381 Y401	D347-P379 WeakPolarHBondContact O-CB 3.19Å; T377-P379 WeakPolarHBondContact O-CD 3.38Å; P379-Y381 PolarHBondContact O-N 3.48Å; P379-Y401 WeakPolarHBondContact CA-OH 2.95Å
380	L	61.5	Low	78.6	Confident	54 Å²	54	51.6 Å²	51.6	28%	0.283	27%	0.265	S	S	.	.	S	Bend	trans	-86.5	102.1	163.1	-57.6	162.2	0	0	0	105.4	W376 T378 H382 V383 Y401	W376-L380 HydrophobicContact CZ2-CD1 4.4Å; T378-L380 PolarHBondContact O-N 2.82Å; L380-H382 PolarHBondContact O-N 2.82Å; L380-V383 VanDerWaalsContact O-CB 3.27Å; L380-V383 WeakPolarHBondContact O-CB 3.5Å; L380-V383 WeakPolarHBondContact O-CG2 3.39Å; L380-V383 PolarHBondContact O-N 3.39Å; L380-Y401 HydrophobicContact CB-CD1 4.43Å; L380-Y401 HydrophobicContact CB-CE1 3.75Å; L380-Y401 HydrophobicContact CD1-CD1 4.39Å; L380-Y401 HydrophobicContact CD1-CE1 4.36Å; L380-Y401 HydrophobicContact CG-CE1 4.39Å; L380-Y401 PolarHBondContact N-OH 3.48Å; L380-Y401 VanDerWaalsContact N-OH 3.17Å
381	Y	60	Low	78.7	Confident	209 Å²	209	50.8 Å²	50.8	82%	0.82	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	40.5	162.8	-53.6	-79.8	0	0	0	118	P379 V383	P379-Y381 PolarHBondContact O-N 3.48Å; Y381-V383 PolarHBondContact O-N 2.98Å; Y381-V383 VanDerWaalsContact O-N 3.13Å
382	H	60.6	Low	78.5	Confident	148 Å²	148	52.4 Å²	52.4	69%	0.685	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.1	178.7	-62.3	-75.4	0	0	0	113.5	L380	L380-H382 PolarHBondContact O-N 2.82Å
383	V	65	Low	78	Confident	18 Å²	18	52.9 Å²	52.9	11%	0.109	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-79.3	134.8	-172.8	166.5	0	0	0	0	111	L380 Y381 Y401	L380-V383 VanDerWaalsContact O-CB 3.27Å; L380-V383 WeakPolarHBondContact O-CB 3.5Å; L380-V383 WeakPolarHBondContact O-CG2 3.39Å; L380-V383 PolarHBondContact O-N 3.39Å; Y381-V383 PolarHBondContact O-N 2.98Å; Y381-V383 VanDerWaalsContact O-N 3.13Å; V383-Y401 HydrophobicContact CB-CD1 3.96Å; V383-Y401 HydrophobicContact CB-CE1 3.57Å; V383-Y401 HydrophobicContact CG1-CD1 3.7Å; V383-Y401 HydrophobicContact CG1-CE1 3.86Å; V383-Y401 HydrophobicContact CG1-CG 4.38Å; V383-Y401 HydrophobicContact CG2-CE1 4.36Å
384	T	70.5	Confident	77.7	Confident	47 Å²	47	55.7 Å²	55.7	29%	0.288	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-73.2	131.8	178.4	52.7	0	0	0	0	111.7	G402	T384-G402 PolarHBondContact O-N 2.7Å
385	I	81.1	Confident	77.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125	167.5	-60.2	142	0	0	0	107.5	Y328 G344 V350 I399 Y401	Y328-I385 WeakPolarHBondContact CB-O 3.21Å; Y328-I385 HydrophobicContact CD1-CG2 3.64Å; Y328-I385 HydrophobicContact CE1-CG2 4.06Å; Y328-I385 HydrophobicContact CG-CB 4.47Å; Y328-I385 HydrophobicContact CG-CG2 3.9Å; G344-I385 VanDerWaalsContact CA-CD1 3.46Å; V350-I385 HydrophobicContact CG2-CD1 3.51Å; V350-I385 HydrophobicContact CG2-CG1 4.34Å; I385-I399 HydrophobicContact CG1-CG2 4.48Å; I385-I399 HydrophobicContact CG2-CG2 3.64Å; I385-Y401 HydrophobicContact CD1-CD2 4.22Å; I385-Y401 HydrophobicContact CD1-CE2 4.1Å; I385-Y401 HydrophobicContact CG1-CD2 3.69Å; I385-Y401 HydrophobicContact CG1-CE2 3.98Å
386	L	82.3	Confident	77.6	Confident	50 Å²	50	58.2 Å²	58.2	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-14.7	-177.2	-59.5	174.8	0	0	0	113.1	Y226 Y328 V460 T461	Y226-L386 PolarHBondContact OH-O 3.32Å; Y328-L386 VanDerWaalsContact CE2-C 3.4Å; Y328-L386 VanDerWaalsContact CE2-O 3.24Å; Y328-L386 WeakPolarHBondContact CE2-O 3.4Å; L386-V460 WeakPolarHBondContact CB-O 3.41Å; L386-T461 HydrophobicContact CD1-CG2 4.12Å
387	A	87.6	Confident	78.1	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.033	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.2	-177.4	0	0	0	0	0	112.6	Y328 G400 I463	Y328-A387 VanDerWaalsContact OH-C 3.25Å; Y328-A387 WeakPolarHBondContact OH-CA 3.39Å; A387-G400 PolarHBondContact O-N 2.67Å; A387-I463 HydrophobicContact CB-CB 4.31Å; A387-I463 HydrophobicContact CB-CD1 4.21Å; A387-I463 HydrophobicContact CB-CG1 3.84Å
388	S	91.5	Very high	78.9	Confident	5 Å²	5	53 Å²	53	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.9	167.8	57.3	0	0	0	0	109	Y328 Y332 C398	Y328-S388 WeakPolarHBondContact CE1-OG 3.45Å; Y328-S388 PolarHBondContact OH-N 3.22Å; Y328-S388 PolarHBondContact OH-OG 3.39Å; Y332-S388 VanDerWaalsContact OH-CB 3.24Å; Y332-S388 WeakPolarHBondContact OH-CB 3.14Å; Y332-S388 PolarHBondContact OH-O 3.36Å; Y332-S388 PolarHBondContact OH-OG 3.3Å; S388-C398 CarbonylContact C-O 3.48Å; S388-C398 WeakPolarHBondContact CA-O 3.1Å; S388-C398 WeakPolarHBondContact CB-O 3.32Å
389	A	90.7	Very high	79.8	Confident	8 Å²	8	49.2 Å²	49.2	7%	0.066	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.6	168.9	0	0	0	0	0	110.9	Y332 C398 I463 L465	Y332-A389 WeakPolarHBondContact OH-CA 3.46Å; Y332-A389 PolarHBondContact OH-N 2.99Å; A389-C398 PolarHBondContact N-O 3.26Å; A389-C398 PolarHBondContact O-N 2.83Å; A389-I463 HydrophobicContact CB-CB 4.17Å; A389-I463 HydrophobicContact CB-CG2 3.61Å; A389-L465 HydrophobicContact CB-CB 3.5Å; A389-L465 VanDerWaalsContact CB-CB 3.5Å
390	W	89.2	Confident	81	Confident	30 Å²	30	45.8 Å²	45.8	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.5	-179.1	169.5	-113.5	0	0	0	110.6	Y332 D333 L334 R395 L396 L397 I410	Y332-W390 HydrophobicContact CD1-CB 3.36Å; Y332-W390 HydrophobicContact CD1-CG 4.24Å; Y332-W390 HydrophobicContact CD2-CB 4.06Å; Y332-W390 HydrophobicContact CE1-CB 3.59Å; Y332-W390 HydrophobicContact CE2-CB 4.27Å; Y332-W390 HydrophobicContact CG-CB 3.57Å; Y332-W390 HydrophobicContact CG-CG 4.15Å; D333-W390 VanDerWaalsContact O-CD1 3.23Å; D333-W390 PolarHBondContact O-NE1 2.74Å; L334-W390 HydrophobicContact CD1-CH2 4.02Å; L334-W390 HydrophobicContact CD1-CZ2 3.82Å; W390-R395 HydrophobicContact CH2-CB 3.98Å; W390-R395 WeakPolarHBondContact CZ3-O 3.5Å; W390-L396 WeakPolarHBondContact CA-O 3.28Å; W390-L397 HydrophobicContact CB-CD1 4.37Å; W390-L397 HydrophobicContact CE3-CB 3.76Å; W390-L397 HydrophobicContact CZ3-CB 4.08Å; W390-I410 HydrophobicContact CE3-CD1 4.46Å; W390-I410 HydrophobicContact CH2-CB 4.02Å; W390-I410 HydrophobicContact CH2-CD1 4.44Å; W390-I410 HydrophobicContact CZ3-CB 4Å; W390-I410 HydrophobicContact CZ3-CD1 3.82Å; W390-I410 HydrophobicContact CZ3-CG1 4.08Å
391	S	85.9	Confident	82.2	Confident	7 Å²	7	43.2 Å²	43.2	5%	0.049	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.6	169.3	172.5	0	0	0	0	109	S393 R394 R395 L396 L465	S391-S393 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact OG-OG 3.01Å; S391-R394 PolarHBondContact OG-N 3Å; S391-R395 VanDerWaalsContact O-CA 3.22Å; S391-R395 WeakPolarHBondContact O-CA 3.39Å; S391-R395 PolarHBondContact O-N 3.05Å; S391-L396 PolarHBondContact N-O 2.88Å; S391-L396 PolarHBondContact O-N 2.84Å; S391-L465 VanDerWaalsContact CB-CD2 3.43Å
392	M	79.9	Confident	83.4	Confident	81 Å²	81	33.2 Å²	33.2	40%	0.399	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-38.7	177.1	-175.2	-179	-179.8	0	0	112	D335 N336 R395	D335-M392 HydrophobicContact CB-CE 4.44Å; N336-M392 WeakPolarHBondContact OD1-CE 3.2Å; M392-R395 PolarHBondContact O-N 3.01Å
393	S	77.2	Confident	84.6	Confident	81 Å²	81	31.7 Å²	31.7	57%	0.566	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-43.9	-179.6	55.9	0	0	0	0	112	S391 N467	S391-S393 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact OG-OG 3.01Å; S393-N467 PolarHBondContact OG-OD1 2.85Å
394	R	79.9	Confident	85.7	Confident	74 Å²	74	33.4 Å²	33.4	28%	0.279	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.6	177.5	-64.8	-169.9	172.5	-141.3	4.2	113.6	S391 L396 N467 L484 D485	S391-R394 PolarHBondContact OG-N 3Å; R394-L396 HydrophobicContact CB-CB 3.94Å; R394-L396 PolarHBondContact O-N 3.25Å; R394-N467 PolarHBondContact NE-O 3.02Å; R394-N467 PolarHBondContact NH2-O 3.29Å; R394-L484 PolarHBondContact NH1-O 2.76Å; R394-D485 IonicContact NH2-OD1 2.82Å; R394-D485 PolarHBondContact NH2-OD1 2.92Å
395	R	85	Confident	86.5	Confident	134 Å²	134	31.2 Å²	31.2	51%	0.506	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	40.2	-170.3	-57.3	-177.4	177.2	177.7	-1.4	113.1	W390 S391 M392 I410	W390-R395 HydrophobicContact CH2-CB 3.98Å; W390-R395 WeakPolarHBondContact CZ3-O 3.5Å; S391-R395 VanDerWaalsContact O-CA 3.22Å; S391-R395 WeakPolarHBondContact O-CA 3.39Å; S391-R395 PolarHBondContact O-N 3.05Å; M392-R395 PolarHBondContact O-N 3.01Å; R395-I410 VanDerWaalsContact CB-O 3.32Å; R395-I410 WeakPolarHBondContact CB-O 3.26Å; R395-I410 PolarHBondContact O-N 3.08Å
396	L	88.4	Confident	86.9	Confident	11 Å²	11	31.2 Å²	31.2	6%	0.058	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.3	-170	-172.3	69.9	0	0	0	110.1	W390 S391 R394 L407 F408 L465 L484	W390-L396 WeakPolarHBondContact CA-O 3.28Å; S391-L396 PolarHBondContact N-O 2.88Å; S391-L396 PolarHBondContact O-N 2.84Å; R394-L396 HydrophobicContact CB-CB 3.94Å; R394-L396 PolarHBondContact O-N 3.25Å; L396-L407 HydrophobicContact CD1-CB 4.23Å; L396-L407 HydrophobicContact CD1-CD2 4.43Å; L396-L407 HydrophobicContact CD2-CD2 4.08Å; L396-F408 WeakPolarHBondContact CA-O 3.45Å; L396-L465 HydrophobicContact CB-CD2 4.44Å; L396-L465 HydrophobicContact CD2-CD2 4.4Å; L396-L465 WeakPolarHBondContact O-CD2 3.22Å; L396-L484 HydrophobicContact CD2-CD1 4.37Å
397	L	91.9	Very high	87.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119	172.3	177	68.9	0	0	0	109.5	Y332 L340 V342 L375 W390 I399 L407 F408 I410	Y332-L397 HydrophobicContact CD2-CD1 4.34Å; Y332-L397 HydrophobicContact CE2-CD1 3.77Å; L340-L397 HydrophobicContact CD2-CD2 4.45Å; V342-L397 HydrophobicContact CG2-CD1 4.13Å; V342-L397 HydrophobicContact CG2-CD2 3.93Å; L375-L397 HydrophobicContact CD1-CD2 3.68Å; L375-L397 HydrophobicContact CD2-CD2 3.94Å; L375-L397 HydrophobicContact CG-CD2 4.46Å; W390-L397 HydrophobicContact CB-CD1 4.37Å; W390-L397 HydrophobicContact CE3-CB 3.76Å; W390-L397 HydrophobicContact CZ3-CB 4.08Å; L397-I399 HydrophobicContact CD2-CD1 3.95Å; L397-I399 HydrophobicContact CD2-CG1 4.25Å; L397-I399 HydrophobicContact CG-CD1 4.3Å; L397-I399 HydrophobicContact CG-CG1 4.04Å; L397-L407 CarbonylContact O-C 3.55Å; L397-L407 WeakPolarHBondContact O-CA 3.23Å; L397-F408 HydrophobicContact CB-CB 4.22Å; L397-F408 HydrophobicContact CD2-CD2 4.34Å; L397-F408 HydrophobicContact CG-CD2 4.46Å; L397-F408 PolarHBondContact N-O 3.12Å; L397-F408 PolarHBondContact O-N 3.06Å; L397-I410 HydrophobicContact CB-CD1 3.81Å; L397-I410 HydrophobicContact CB-CG1 4.4Å; L397-I410 HydrophobicContact CD2-CD1 3.89Å; L397-I410 HydrophobicContact CG-CD1 4.48Å
398	C	91.4	Very high	87.3	Confident	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.4	173.6	-66.4	0	0	0	0	109.9	S388 A389 L405 L406 I463 L470	S388-C398 CarbonylContact C-O 3.48Å; S388-C398 WeakPolarHBondContact CA-O 3.1Å; S388-C398 WeakPolarHBondContact CB-O 3.32Å; A389-C398 PolarHBondContact N-O 3.26Å; A389-C398 PolarHBondContact O-N 2.83Å; C398-L405 HydrophobicContact CB-CD1 4.24Å; C398-L406 CarbonylContact C-O 3.54Å; C398-L406 WeakPolarHBondContact CA-O 3.4Å; C398-I463 HydrophobicContact CB-CG2 4.27Å; C398-L470 HydrophobicContact CB-CD1 4.31Å
399	I	92	Very high	87.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.5	178.2	-52.8	-172.4	0	0	0	110.1	V342 V350 I385 L397 Y401 L405 L406 F408	V342-I399 HydrophobicContact CG1-CD1 4.11Å; V350-I399 HydrophobicContact CG1-CD1 3.63Å; V350-I399 HydrophobicContact CG2-CD1 4.41Å; I385-I399 HydrophobicContact CG1-CG2 4.48Å; I385-I399 HydrophobicContact CG2-CG2 3.64Å; L397-I399 HydrophobicContact CD2-CD1 3.95Å; L397-I399 HydrophobicContact CD2-CG1 4.25Å; L397-I399 HydrophobicContact CG-CD1 4.3Å; L397-I399 HydrophobicContact CG-CG1 4.04Å; I399-Y401 PolarHBondContact O-N 2.77Å; I399-L405 WeakPolarHBondContact O-CA 3.25Å; I399-L406 HydrophobicContact CB-CB 4.33Å; I399-L406 PolarHBondContact N-O 3.25Å; I399-L406 PolarHBondContact O-N 2.81Å; I399-F408 HydrophobicContact CB-CE2 4.39Å; I399-F408 HydrophobicContact CD1-CD2 4.02Å; I399-F408 HydrophobicContact CD1-CE2 3.62Å; I399-F408 HydrophobicContact CG1-CD2 4.17Å; I399-F408 HydrophobicContact CG1-CE2 3.95Å
400	G	89.5	Confident	86.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	103.7	170.6	0	0	0	0	0	109	A387	A387-G400 PolarHBondContact O-N 2.67Å
401	Y	87.1	Confident	86.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	79.8	-178.8	-162.3	-85.1	0	0	0	109.4	G348 V350 P379 L380 V383 I385 I399 R403 H404 L406	G348-Y401 VanDerWaalsContact C-OH 3.29Å; G348-Y401 WeakPolarHBondContact CA-OH 3.36Å; G348-Y401 WeakPolarHBondContact O-CE2 3.46Å; G348-Y401 VanDerWaalsContact O-CZ 3.3Å; G348-Y401 PolarHBondContact O-OH 3.33Å; V350-Y401 HydrophobicContact CG2-CE2 4.46Å; P379-Y401 WeakPolarHBondContact CA-OH 2.95Å; L380-Y401 HydrophobicContact CB-CD1 4.43Å; L380-Y401 HydrophobicContact CB-CE1 3.75Å; L380-Y401 HydrophobicContact CD1-CD1 4.39Å; L380-Y401 HydrophobicContact CD1-CE1 4.36Å; L380-Y401 HydrophobicContact CG-CE1 4.39Å; L380-Y401 PolarHBondContact N-OH 3.48Å; L380-Y401 VanDerWaalsContact N-OH 3.17Å; V383-Y401 HydrophobicContact CB-CD1 3.96Å; V383-Y401 HydrophobicContact CB-CE1 3.57Å; V383-Y401 HydrophobicContact CG1-CD1 3.7Å; V383-Y401 HydrophobicContact CG1-CE1 3.86Å; V383-Y401 HydrophobicContact CG1-CG 4.38Å; V383-Y401 HydrophobicContact CG2-CE1 4.36Å; I385-Y401 HydrophobicContact CD1-CD2 4.22Å; I385-Y401 HydrophobicContact CD1-CE2 4.1Å; I385-Y401 HydrophobicContact CG1-CD2 3.69Å; I385-Y401 HydrophobicContact CG1-CE2 3.98Å; I399-Y401 PolarHBondContact O-N 2.77Å; Y401-R403 PolarHBondContact O-N 3.45Å; Y401-R403 VanDerWaalsContact O-N 3.16Å; Y401-H404 CarbonylContact C-O 3.52Å; Y401-H404 PolarHBondContact N-O 2.94Å; Y401-H404 PolarHBondContact O-N 3.08Å; Y401-L406 HydrophobicContact CD2-CD1 3.62Å; Y401-L406 HydrophobicContact CE2-CD1 4.43Å; Y401-L406 HydrophobicContact CG-CD1 3.74Å; Y401-L406 HydrophobicContact CG-CG 4.28Å
402	G	85.1	Confident	86.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-117.6	-168.5	0	0	0	0	0	110.7	T384 H404 Y459 V460	T384-G402 PolarHBondContact O-N 2.7Å; G402-H404 VanDerWaalsContact C-N 3.31Å; G402-Y459 CarbonylContact O-C 3.56Å; G402-Y459 WeakPolarHBondContact O-CA 3.46Å; G402-V460 WeakPolarHBondContact O-CG2 3.22Å; G402-V460 PolarHBondContact O-N 3.14Å
403	R	85.3	Confident	86.1	Confident	116 Å²	116	32.9 Å²	32.9	44%	0.438	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.3	177.3	-80.8	-177.9	-91.8	-164.6	1.7	114.2	Y401 P453 L457 G458	Y401-R403 PolarHBondContact O-N 3.45Å; Y401-R403 VanDerWaalsContact O-N 3.16Å; R403-P453 VanDerWaalsContact O-CD 3.22Å; R403-P453 WeakPolarHBondContact O-CD 3.26Å; R403-L457 VanDerWaalsContact CD-O 3.24Å; R403-L457 WeakPolarHBondContact CD-O 3.29Å; R403-G458 WeakPolarHBondContact CG-O 3.32Å
404	H	87.6	Confident	85.2	Confident	54 Å²	54	34.1 Å²	34.1	25%	0.25	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.9	-174.6	-54.3	89.4	0	0	0	110.3	Y401 G402 V450	Y401-H404 CarbonylContact C-O 3.52Å; Y401-H404 PolarHBondContact N-O 2.94Å; Y401-H404 PolarHBondContact O-N 3.08Å; G402-H404 VanDerWaalsContact C-N 3.31Å; H404-V450 HydrophobicContact CB-CG1 4.06Å
405	L	88.9	Confident	83.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119	168.5	-176.1	76.2	0	0	0	108.2	C398 I399 L407 V450 S451 I463 L470 L492 W494	C398-L405 HydrophobicContact CB-CD1 4.24Å; I399-L405 WeakPolarHBondContact O-CA 3.25Å; L405-L407 HydrophobicContact CD2-CD1 3.91Å; L405-L407 HydrophobicContact CD2-CD2 4.42Å; L405-L407 HydrophobicContact CD2-CG 4.18Å; L405-L407 HydrophobicContact CG-CD1 4.22Å; L405-L407 HydrophobicContact CG-CG 4.36Å; L405-V450 WeakPolarHBondContact O-CA 3.36Å; L405-S451 PolarHBondContact N-O 3.38Å; L405-S451 PolarHBondContact O-N 3.13Å; L405-I463 HydrophobicContact CD1-CD1 3.67Å; L405-L470 HydrophobicContact CD1-CD2 4.29Å; L405-L470 HydrophobicContact CD2-CD2 3.3Å; L405-L470 HydrophobicContact CG-CD2 4.42Å; L405-L492 HydrophobicContact CD2-CD1 3.72Å; L405-W494 HydrophobicContact CD2-CH2 4.31Å; L405-W494 HydrophobicContact CD2-CZ2 4.03Å
406	L	89.2	Confident	82.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.5	171.2	-52.7	177.7	0	0	0	108.6	W376 C398 I399 Y401 F408 F449 V450	W376-L406 HydrophobicContact CD2-CD1 3.91Å; W376-L406 HydrophobicContact CE3-CD1 4.36Å; W376-L406 HydrophobicContact CG-CD1 4.01Å; W376-L406 HydrophobicContact CH2-CD2 4.19Å; W376-L406 HydrophobicContact CZ2-CD2 4.19Å; W376-L406 HydrophobicContact CZ3-CD2 4.44Å; C398-L406 CarbonylContact C-O 3.54Å; C398-L406 WeakPolarHBondContact CA-O 3.4Å; I399-L406 HydrophobicContact CB-CB 4.33Å; I399-L406 PolarHBondContact N-O 3.25Å; I399-L406 PolarHBondContact O-N 2.81Å; Y401-L406 HydrophobicContact CD2-CD1 3.62Å; Y401-L406 HydrophobicContact CE2-CD1 4.43Å; Y401-L406 HydrophobicContact CG-CD1 3.74Å; Y401-L406 HydrophobicContact CG-CG 4.28Å; L406-F408 HydrophobicContact CB-CD2 4.43Å; L406-F408 HydrophobicContact CB-CE2 3.53Å; L406-F408 HydrophobicContact CB-CZ 3.78Å; L406-F408 HydrophobicContact CD1-CE2 4.24Å; L406-F408 HydrophobicContact CD1-CZ 4Å; L406-F408 HydrophobicContact CG-CZ 4.49Å; L406-F449 CarbonylContact C-O 3.5Å; L406-F449 WeakPolarHBondContact CA-O 3.42Å; L406-V450 HydrophobicContact CD2-CB 4.26Å; L406-V450 HydrophobicContact CD2-CG1 3.98Å; L406-V450 HydrophobicContact CD2-CG2 3.6Å
407	L	88.8	Confident	80	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.3	174.1	-58.8	106.7	0	0	0	109.5	L396 L397 L405 Q448 F449 L484	L396-L407 HydrophobicContact CD1-CB 4.23Å; L396-L407 HydrophobicContact CD1-CD2 4.43Å; L396-L407 HydrophobicContact CD2-CD2 4.08Å; L397-L407 CarbonylContact O-C 3.55Å; L397-L407 WeakPolarHBondContact O-CA 3.23Å; L405-L407 HydrophobicContact CD2-CD1 3.91Å; L405-L407 HydrophobicContact CD2-CD2 4.42Å; L405-L407 HydrophobicContact CD2-CG 4.18Å; L405-L407 HydrophobicContact CG-CD1 4.22Å; L405-L407 HydrophobicContact CG-CG 4.36Å; L407-Q448 CarbonylContact O-C 3.54Å; L407-Q448 VanDerWaalsContact O-CA 3.25Å; L407-Q448 WeakPolarHBondContact O-CA 3.3Å; L407-F449 HydrophobicContact CB-CB 4.27Å; L407-F449 HydrophobicContact CB-CD2 4.49Å; L407-F449 HydrophobicContact CD1-CB 4.16Å; L407-F449 PolarHBondContact N-O 3.45Å; L407-F449 PolarHBondContact O-N 2.83Å; L407-L484 HydrophobicContact CD2-CD2 4.42Å
408	F	89.2	Confident	77.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.2	179.7	-58.2	-80.6	0	0	0	110.4	L375 W376 L396 L397 I399 L406 I410 V445 G447 Q448	L375-F408 WeakPolarHBondContact O-CE1 3.46Å; W376-F408 HydrophobicContact CB-CZ 4.04Å; W376-F408 HydrophobicContact CD2-CZ 4.28Å; W376-F408 AromaticContact CE3-CE1 3.73Å; W376-F408 HydrophobicContact CE3-CE1 3.73Å; W376-F408 AromaticContact CE3-CZ 3.74Å; W376-F408 HydrophobicContact CE3-CZ 3.74Å; W376-F408 HydrophobicContact CG-CZ 4.45Å; W376-F408 HydrophobicContact CZ3-CE1 4.38Å; L396-F408 WeakPolarHBondContact CA-O 3.45Å; L397-F408 HydrophobicContact CB-CB 4.22Å; L397-F408 HydrophobicContact CD2-CD2 4.34Å; L397-F408 HydrophobicContact CG-CD2 4.46Å; L397-F408 PolarHBondContact N-O 3.12Å; L397-F408 PolarHBondContact O-N 3.06Å; I399-F408 HydrophobicContact CB-CE2 4.39Å; I399-F408 HydrophobicContact CD1-CD2 4.02Å; I399-F408 HydrophobicContact CD1-CE2 3.62Å; I399-F408 HydrophobicContact CG1-CD2 4.17Å; I399-F408 HydrophobicContact CG1-CE2 3.95Å; L406-F408 HydrophobicContact CB-CD2 4.43Å; L406-F408 HydrophobicContact CB-CE2 3.53Å; L406-F408 HydrophobicContact CB-CZ 3.78Å; L406-F408 HydrophobicContact CD1-CE2 4.24Å; L406-F408 HydrophobicContact CD1-CZ 4Å; L406-F408 HydrophobicContact CG-CZ 4.49Å; F408-I410 HydrophobicContact CB-CG1 4.43Å; F408-V445 HydrophobicContact CB-CG1 4.42Å; F408-V445 HydrophobicContact CD1-CG1 3.83Å; F408-V445 HydrophobicContact CD1-CG2 4.31Å; F408-G447 WeakPolarHBondContact CA-O 3.28Å; F408-Q448 HydrophobicContact CD1-CB 3.98Å; F408-Q448 HydrophobicContact CE1-CB 4.02Å
409	H	87.5	Confident	75.2	Confident	66 Å²	66	47 Å²	47	31%	0.306	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.2	167.5	-172	-73.8	0	0	0	109.1	K446 G447	H409-K446 PolarHBondContact O-N 3.17Å; H409-G447 PolarHBondContact N-O 3.34Å
410	I	87.1	Confident	72.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.6	-178.7	-57.1	179.7	0	0	0	108.5	L334 L340 F373 L375 W390 R395 L397 F408 Y443	L334-I410 HydrophobicContact CD1-CG2 4.32Å; L340-I410 HydrophobicContact CD2-CD1 3.91Å; F373-I410 HydrophobicContact CZ-CD1 4.45Å; L375-I410 HydrophobicContact CD2-CD1 4.11Å; W390-I410 HydrophobicContact CE3-CD1 4.46Å; W390-I410 HydrophobicContact CH2-CB 4.02Å; W390-I410 HydrophobicContact CH2-CD1 4.44Å; W390-I410 HydrophobicContact CZ3-CB 4Å; W390-I410 HydrophobicContact CZ3-CD1 3.82Å; W390-I410 HydrophobicContact CZ3-CG1 4.08Å; R395-I410 VanDerWaalsContact CB-O 3.32Å; R395-I410 WeakPolarHBondContact CB-O 3.26Å; R395-I410 PolarHBondContact O-N 3.08Å; L397-I410 HydrophobicContact CB-CD1 3.81Å; L397-I410 HydrophobicContact CB-CG1 4.4Å; L397-I410 HydrophobicContact CD2-CD1 3.89Å; L397-I410 HydrophobicContact CG-CD1 4.48Å; F408-I410 HydrophobicContact CB-CG1 4.43Å; I410-Y443 HydrophobicContact CG2-CD1 4.1Å
411	A	83.4	Confident	70.1	Confident	2 Å²	2	59.3 Å²	59.3	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	175.1	0	0	0	0	0	110.8	Y443 L444 K446	A411-Y443 CarbonylContact O-C 3.53Å; A411-Y443 WeakPolarHBondContact O-CA 3.27Å; A411-L444 PolarHBondContact N-O 3.46Å; A411-L444 PolarHBondContact O-N 3.21Å; A411-K446 HydrophobicContact CB-CD 3.48Å; A411-K446 VanDerWaalsContact CB-CD 3.48Å; A411-K446 HydrophobicContact CB-CG 3.67Å
412	K	80.9	Confident	67.8	Low	73 Å²	73	65 Å²	65	32%	0.317	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.2	165.6	-178.7	170.6	172.8	160.4	0	109.2	L442 Y443	K412-L442 CarbonylContact C-O 3.58Å; K412-L442 VanDerWaalsContact CA-O 3.26Å; K412-L442 WeakPolarHBondContact CA-O 2.91Å; K412-L442 HydrophobicContact CD-CD2 3.94Å; K412-L442 HydrophobicContact CG-CD2 4.03Å; K412-L442 HydrophobicContact CG-CG 4.3Å; K412-L442 WeakPolarHBondContact CG-O 3.32Å; K412-Y443 HydrophobicContact CB-CD1 3.98Å; K412-Y443 HydrophobicContact CB-CE1 3.84Å; K412-Y443 HydrophobicContact CB-CG 4.47Å; K412-Y443 HydrophobicContact CD-CE1 4.45Å; K412-Y443 HydrophobicContact CG-CE1 4.39Å
413	E	72.9	Confident	65.5	Low	70 Å²	70	70.9 Å²	70.9	33%	0.327	34%	0.34	S	S	.	.			trans	-79.5	128.9	167	-76.1	-167.7	145.2	0	0	109.8	L415 L442 L444	E413-L415 PolarHBondContact O-N 2.8Å; E413-L442 PolarHBondContact N-O 2.93Å; E413-L444 HydrophobicContact CG-CD2 3.36Å; E413-L444 HydrophobicContact CG-CG 4.05Å; E413-L444 WeakPolarHBondContact OE1-CD2 3.3Å
414	D	59	Low	63.2	Low	108 Å²	108	73 Å²	73	58%	0.578	36%	0.355	S	S	*	.			trans	-79.9	96.8	168.4	-67.5	-38	0	0	0	108	E416 I417	D414-E416 PolarHBondContact O-N 3.4Å; D414-I417 HydrophobicContact CB-CD1 4.31Å; D414-I417 HydrophobicContact CB-CG1 4.48Å; D414-I417 PolarHBondContact O-N 3.31Å
415	L	50.2	Low	60.8	Low	62 Å²	62	78.3 Å²	78.3	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-53.4	-24.4	179.5	-88.9	153.7	0	0	0	113.6	E413 I417 C418 F419 L442	E413-L415 PolarHBondContact O-N 2.8Å; L415-I417 PolarHBondContact O-N 2.79Å; L415-C418 PolarHBondContact O-N 3.29Å; L415-F419 HydrophobicContact CD2-CE2 3.97Å; L415-F419 VanDerWaalsContact O-CD2 3.31Å; L415-F419 WeakPolarHBondContact O-CD2 3.13Å; L415-F419 PolarHBondContact O-N 2.92Å; L415-L442 HydrophobicContact CD1-CD1 3.55Å
416	E	47.9	Very low	58.1	Low	163 Å²	163	86.1 Å²	86.1	76%	0.762	42%	0.416	S	S	*	.	H	α-helix	trans	-58.6	-29.4	176	-73.9	-174.3	168.6	0	0	112.8	D414 Q420	D414-E416 PolarHBondContact O-N 3.4Å; E416-Q420 WeakPolarHBondContact O-CG 3.28Å
417	I	45.2	Very low	55.3	Low	93 Å²	93	94.9 Å²	94.9	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-83.4	-35.3	-178.9	-55.6	175.8	0	0	0	111.2	D414 L415 Q420 Q421	D414-I417 HydrophobicContact CB-CD1 4.31Å; D414-I417 HydrophobicContact CB-CG1 4.48Å; D414-I417 PolarHBondContact O-N 3.31Å; L415-I417 PolarHBondContact O-N 2.79Å; I417-Q420 PolarHBondContact O-N 3.07Å; I417-Q421 PolarHBondContact O-N 3.13Å
418	C	41.4	Very low	52.6	Low	51 Å²	51	102.9 Å²	102.9	35%	0.345	49%	0.494	S	S	.	.	H	α-helix	trans	-66.9	-38.2	177.4	-89.1	0	0	0	0	112.6	L415 Q420 Q421 Q422	L415-C418 PolarHBondContact O-N 3.29Å; C418-Q420 VanDerWaalsContact C-N 3.34Å; C418-Q421 PolarHBondContact O-N 3.07Å; C418-Q422 PolarHBondContact O-N 3.38Å
419	F	40.5	Very low	50.1	Low	119 Å²	119	109.3 Å²	109.3	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-69.1	-31.7	175.5	-78.2	-71.3	0	0	0	112.6	L415 N423	L415-F419 HydrophobicContact CD2-CE2 3.97Å; L415-F419 VanDerWaalsContact O-CD2 3.31Å; L415-F419 WeakPolarHBondContact O-CD2 3.13Å; L415-F419 PolarHBondContact O-N 2.92Å; F419-N423 VanDerWaalsContact O-CB 3.26Å; F419-N423 WeakPolarHBondContact O-CB 3.27Å; F419-N423 VanDerWaalsContact O-CG 3.25Å; F419-N423 PolarHBondContact O-N 2.93Å; F419-N423 PolarHBondContact O-ND2 2.88Å
420	Q	37.7	Very low	47.4	Very low	133 Å²	133	110.8 Å²	110.8	62%	0.621	55%	0.554	S	S	*	*	H	α-helix	trans	-70	-38.5	173.7	-74	-175.8	2.1	0	0	112.3	E416 I417 C418 Q424	E416-Q420 WeakPolarHBondContact O-CG 3.28Å; I417-Q420 PolarHBondContact O-N 3.07Å; C418-Q420 VanDerWaalsContact C-N 3.34Å; Q420-Q424 WeakPolarHBondContact O-CG 3.26Å; Q420-Q424 PolarHBondContact O-N 3.21Å
421	Q	38.1	Very low	44.7	Very low	127 Å²	127	118 Å²	118	59%	0.593	59%	0.592	S	S	*	*	H	α-helix	trans	-70.7	-36	175.8	-75.2	-176.2	-6.2	0	0	112.8	I417 C418	I417-Q421 PolarHBondContact O-N 3.13Å; C418-Q421 PolarHBondContact O-N 3.07Å
422	Q	37.4	Very low	42.1	Very low	118 Å²	118	126.5 Å²	126.5	55%	0.551	64%	0.637	S	S	*	*	H	α-helix	trans	-72.4	-36.9	175.6	-77.4	-176.4	-5.7	0	0	112.7	C418 Q424 H425	C418-Q422 PolarHBondContact O-N 3.38Å; Q422-Q424 VanDerWaalsContact C-N 3.26Å; Q422-Q424 PolarHBondContact O-N 2.79Å; Q422-H425 PolarHBondContact O-N 2.78Å
423	N	38	Very low	39.6	Very low	125 Å²	125	128 Å²	128	67%	0.668	66%	0.656	S	S	*	*	H	α-helix	trans	-71.4	-18.5	177.7	-76.3	-20.5	0	0	0	113.7	F419 H425	F419-N423 VanDerWaalsContact O-CB 3.26Å; F419-N423 WeakPolarHBondContact O-CB 3.27Å; F419-N423 VanDerWaalsContact O-CG 3.25Å; F419-N423 PolarHBondContact O-N 2.93Å; F419-N423 PolarHBondContact O-ND2 2.88Å; N423-H425 VanDerWaalsContact C-N 3.32Å
424	Q	36.7	Very low	37.4	Very low	159 Å²	159	130.5 Å²	130.5	74%	0.743	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-11.5	172.9	-76.3	-175.1	2.2	0	0	113.8	Q420 Q422	Q420-Q424 WeakPolarHBondContact O-CG 3.26Å; Q420-Q424 PolarHBondContact O-N 3.21Å; Q422-Q424 VanDerWaalsContact C-N 3.26Å; Q422-Q424 PolarHBondContact O-N 2.79Å
425	H	37.9	Very low	36	Very low	167 Å²	167	130.9 Å²	130.9	77%	0.773	69%	0.685	S	S	*	*	S	Bend	trans	-119.8	17.6	-174.5	-82.7	-57.9	0	0	0	115.7	Q422 N423	Q422-H425 PolarHBondContact O-N 2.78Å; N423-H425 VanDerWaalsContact C-N 3.32Å
426	Q	31.9	Very low	34.9	Very low	163 Å²	163	134 Å²	134	76%	0.762	71%	0.71	S	S	*	*			trans	-112.5	70.9	171.7	-76.7	-171.6	-3.6	0	0	113.1
427	E	30.6	Very low	33.9	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	72%	0.717	S	S	*	*			trans	-93.7	89.8	145	-76.8	-173.3	164.2	0	0	107.9
428	Q	31.9	Very low	33.5	Very low	174 Å²	174	136 Å²	136	81%	0.813	72%	0.722	S	S	*	*			trans	169.3	123.8	145.1	-96	169.3	23.4	0	0	110.9	S430	Q428-S430 PolarHBondContact O-N 2.9Å
429	P	35.2	Very low	33.7	Very low	134 Å²	134	143.2 Å²	143.2	87%	0.87	74%	0.742	S	S	*	*			trans	-89.2	107.6	178.3	33.2	-27.2	0	0	0	109.4
430	S	31	Very low	34.1	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	75%	0.745	S	S	*	*			trans	-143.4	122	162.1	62.8	0	0	0	0	111.5	Q428	Q428-S430 PolarHBondContact O-N 2.9Å
431	N	31.6	Very low	34.9	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	73%	0.732	S	S	*	*			trans	59.7	110.6	162.4	-61.2	-23.7	0	0	0	118.1	S433	N431-S433 VanDerWaalsContact C-N 3.34Å; N431-S433 PolarHBondContact O-N 3.2Å
432	L	28.6	Very low	36.3	Very low	182 Å²	182	135.3 Å²	135.3	95%	0.953	72%	0.716	S	S	*	*			trans	-47.4	90.6	166.9	-73.1	90.1	0	0	0	111.4
433	S	28.2	Very low	38.4	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	69%	0.691	S	S	*	*			trans	-88.5	109.1	147.5	50.1	0	0	0	0	105.7	N431 P435	N431-S433 VanDerWaalsContact C-N 3.34Å; N431-S433 PolarHBondContact O-N 3.2Å; S433-P435 WeakPolarHBondContact O-CD 3.35Å; S433-P435 VanDerWaalsContact O-N 3.08Å
434	T	26.2	Very low	40.6	Very low	124 Å²	124	126.5 Å²	126.5	76%	0.761	67%	0.672	S	S	*	*			trans	-47.1	118.3	164.5	26.2	0	0	0	0	107.7	C436	T434-C436 PolarHBondContact O-N 3.31Å
435	P	29.1	Very low	42.8	Very low	116 Å²	116	120.9 Å²	120.9	75%	0.753	65%	0.648	S	S	*	*			trans	-61.6	113.3	178	23.1	-29.4	0	0	0	106.2	S433 R437	S433-P435 WeakPolarHBondContact O-CD 3.35Å; S433-P435 VanDerWaalsContact O-N 3.08Å; P435-R437 PolarHBondContact O-N 3.48Å
436	C	27	Very low	44.8	Very low	126 Å²	126	120.1 Å²	120.1	85%	0.851	64%	0.642	S	S	*	*			trans	-48.6	109.5	166.4	-69.9	0	0	0	0	106.1	T434 G438	T434-C436 PolarHBondContact O-N 3.31Å; C436-G438 PolarHBondContact O-N 3.28Å
437	R	28.4	Very low	47.1	Very low	243 Å²	243	113.3 Å²	113.3	92%	0.917	62%	0.616	S	S	*	*			trans	-66.3	61.4	172.3	-78.7	-176.5	173.1	-174.3	-2.1	109.3	P435	P435-R437 PolarHBondContact O-N 3.48Å
438	G	35.3	Very low	49.6	Very low	55 Å²	55	109.5 Å²	109.5	57%	0.567	60%	0.599	S	S	*	*			trans	-80.1	115.1	153.7	0	0	0	0	0	105.3	C436 D440	C436-G438 PolarHBondContact O-N 3.28Å; G438-D440 PolarHBondContact O-N 3.23Å; G438-D440 VanDerWaalsContact O-N 3.11Å
439	R	47.1	Very low	52.1	Low	204 Å²	204	104.8 Å²	104.8	77%	0.77	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-61.3	116	166	-73.9	179.1	179.1	176.9	-1.6	105.9
440	D	47.3	Very low	54.5	Low	112 Å²	112	101.3 Å²	101.3	60%	0.599	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-52.5	136.5	168.7	-69.5	-41	0	0	0	108.5	G438 L442	G438-D440 PolarHBondContact O-N 3.23Å; G438-D440 VanDerWaalsContact O-N 3.11Å; D440-L442 PolarHBondContact O-N 3.22Å; D440-L442 VanDerWaalsContact O-N 3.1Å
441	P	54.9	Low	57.1	Low	53 Å²	53	97 Å²	97	34%	0.344	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-63.1	119	-177.1	25.4	-32.4	0	0	0	108.8	Y371 F373 Y443	Y371-P441 HydrophobicContact CD2-CB 3.88Å; Y371-P441 HydrophobicContact CE2-CB 3.83Å; F373-P441 HydrophobicContact CB-CB 4.44Å; P441-Y443 PolarHBondContact O-N 3.35Å
442	L	68.4	Low	59.6	Low	47 Å²	47	95.2 Å²	95.2	25%	0.246	51%	0.508	C	S	.	.	S	Bend	trans	-61.4	-12.8	-176.8	-153.7	100.7	0	0	0	113	Y371 K412 E413 L415 D440	Y371-L442 HydrophobicContact CE1-CB 4.5Å; K412-L442 CarbonylContact C-O 3.58Å; K412-L442 VanDerWaalsContact CA-O 3.26Å; K412-L442 WeakPolarHBondContact CA-O 2.91Å; K412-L442 HydrophobicContact CD-CD2 3.94Å; K412-L442 HydrophobicContact CG-CD2 4.03Å; K412-L442 HydrophobicContact CG-CG 4.3Å; K412-L442 WeakPolarHBondContact CG-O 3.32Å; E413-L442 PolarHBondContact N-O 2.93Å; L415-L442 HydrophobicContact CD1-CD1 3.55Å; D440-L442 PolarHBondContact O-N 3.22Å; D440-L442 VanDerWaalsContact O-N 3.1Å
443	Y	82.1	Confident	62.4	Low	10 Å²	10	86.6 Å²	86.6	4%	0.039	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.5	-179	-62.1	-114.2	0	0	0	110.1	L334 D335 N338 V354 Y371 I410 A411 K412 P441	L334-Y443 HydrophobicContact CD1-CD1 4.36Å; L334-Y443 HydrophobicContact CD1-CE1 4.34Å; L334-Y443 HydrophobicContact CD2-CD1 3.72Å; L334-Y443 HydrophobicContact CD2-CD2 4.17Å; L334-Y443 HydrophobicContact CD2-CE1 3.53Å; L334-Y443 HydrophobicContact CD2-CE2 3.93Å; L334-Y443 HydrophobicContact CD2-CG 4.03Å; L334-Y443 HydrophobicContact CG-CD1 4.15Å; L334-Y443 HydrophobicContact CG-CE1 3.74Å; D335-Y443 PolarHBondContact OD1-OH 3.38Å; D335-Y443 PolarHBondContact OD2-OH 3.16Å; N338-Y443 PolarHBondContact ND2-OH 3.08Å; V354-Y443 HydrophobicContact CG1-CE2 4.49Å; Y371-Y443 WeakPolarHBondContact OH-CD2 3.34Å; Y371-Y443 WeakPolarHBondContact OH-CE2 3.49Å; I410-Y443 HydrophobicContact CG2-CD1 4.1Å; A411-Y443 CarbonylContact O-C 3.53Å; A411-Y443 WeakPolarHBondContact O-CA 3.27Å; K412-Y443 HydrophobicContact CB-CD1 3.98Å; K412-Y443 HydrophobicContact CB-CE1 3.84Å; K412-Y443 HydrophobicContact CB-CG 4.47Å; K412-Y443 HydrophobicContact CD-CE1 4.45Å; K412-Y443 HydrophobicContact CG-CE1 4.39Å; P441-Y443 PolarHBondContact O-N 3.35Å
444	L	82.5	Confident	64.9	Low	49 Å²	49	87.8 Å²	87.8	26%	0.257	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.8	179.4	59.3	82.5	0	0	0	111.9	A411 E413 K446	A411-L444 PolarHBondContact N-O 3.46Å; A411-L444 PolarHBondContact O-N 3.21Å; E413-L444 HydrophobicContact CG-CD2 3.36Å; E413-L444 HydrophobicContact CG-CG 4.05Å; E413-L444 WeakPolarHBondContact OE1-CD2 3.3Å; L444-K446 HydrophobicContact CD1-CB 4.41Å; L444-K446 HydrophobicContact CD1-CG 3.5Å; L444-K446 VanDerWaalsContact CD1-CG 3.5Å; L444-K446 PolarHBondContact O-N 3.28Å
445	V	82.7	Confident	67.4	Low	41 Å²	41	84.3 Å²	84.3	25%	0.248	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.6	171.6	178.4	0	0	0	0	108.2	F373 L375 F408 G447 Q448	F373-V445 HydrophobicContact CE2-CG2 4.31Å; L375-V445 HydrophobicContact CD2-CG2 3.85Å; F408-V445 HydrophobicContact CB-CG1 4.42Å; F408-V445 HydrophobicContact CD1-CG1 3.83Å; F408-V445 HydrophobicContact CD1-CG2 4.31Å; V445-G447 WeakPolarHBondContact CG1-O 3.45Å; V445-Q448 HydrophobicContact CG1-CB 4.47Å
446	K	80.7	Confident	69.8	Low	150 Å²	150	78.9 Å²	78.9	65%	0.652	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	-27.4	175.7	-79.4	-164.4	172.9	-176.6	0	113.2	H409 A411 L444	H409-K446 PolarHBondContact O-N 3.17Å; A411-K446 HydrophobicContact CB-CD 3.48Å; A411-K446 VanDerWaalsContact CB-CD 3.48Å; A411-K446 HydrophobicContact CB-CG 3.67Å; L444-K446 HydrophobicContact CD1-CB 4.41Å; L444-K446 HydrophobicContact CD1-CG 3.5Å; L444-K446 VanDerWaalsContact CD1-CG 3.5Å; L444-K446 PolarHBondContact O-N 3.28Å
447	G	80.4	Confident	72.3	Confident	21 Å²	21	79.3 Å²	79.3	22%	0.216	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	148.3	-177.8	0	0	0	0	0	110.6	F408 H409 V445	F408-G447 WeakPolarHBondContact CA-O 3.28Å; H409-G447 PolarHBondContact N-O 3.34Å; V445-G447 WeakPolarHBondContact CG1-O 3.45Å
448	Q	83.2	Confident	74.8	Confident	106 Å²	106	68.4 Å²	68.4	50%	0.495	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136	176.9	65.5	-175.7	14	0	0	109.7	W376 L407 F408 V445	W376-Q448 HydrophobicContact CZ3-CB 4.46Å; W376-Q448 HydrophobicContact CZ3-CG 4.31Å; W376-Q448 VanDerWaalsContact CZ3-OE1 3.28Å; L407-Q448 CarbonylContact O-C 3.54Å; L407-Q448 VanDerWaalsContact O-CA 3.25Å; L407-Q448 WeakPolarHBondContact O-CA 3.3Å; F408-Q448 HydrophobicContact CD1-CB 3.98Å; F408-Q448 HydrophobicContact CE1-CB 4.02Å; V445-Q448 HydrophobicContact CG1-CB 4.47Å
449	F	84.7	Confident	77.2	Confident	75 Å²	75	70.7 Å²	70.7	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.6	177.1	-54.1	-86.1	0	0	0	109.5	L406 L407	L406-F449 CarbonylContact C-O 3.5Å; L406-F449 WeakPolarHBondContact CA-O 3.42Å; L407-F449 HydrophobicContact CB-CB 4.27Å; L407-F449 HydrophobicContact CB-CD2 4.49Å; L407-F449 HydrophobicContact CD1-CB 4.16Å; L407-F449 PolarHBondContact N-O 3.45Å; L407-F449 PolarHBondContact O-N 2.83Å
450	V	84.1	Confident	79.2	Confident	60 Å²	60	61 Å²	61	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123	175.1	-173.2	0	0	0	0	107.6	W376 H404 L405 L406	W376-V450 HydrophobicContact CH2-CG2 3.94Å; H404-V450 HydrophobicContact CB-CG1 4.06Å; L405-V450 WeakPolarHBondContact O-CA 3.36Å; L406-V450 HydrophobicContact CD2-CB 4.26Å; L406-V450 HydrophobicContact CD2-CG1 3.98Å; L406-V450 HydrophobicContact CD2-CG2 3.6Å
451	S	85.6	Confident	81	Confident	8 Å²	8	56 Å²	56	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.2	173.8	-162.8	0	0	0	0	109.5	L405 C490	L405-S451 PolarHBondContact N-O 3.38Å; L405-S451 PolarHBondContact O-N 3.13Å; S451-C490 PolarHBondContact OG-O 2.94Å
452	Q	85.3	Confident	82.6	Confident	115 Å²	115	53.6 Å²	53.6	54%	0.537	28%	0.276	S	S	.	.			trans	-112.8	114.5	173.1	-174	179.8	-6.4	0	0	108.3
453	P	86.3	Confident	83.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.267	C	S	.	.			trans	-63.9	140.3	172.8	-15.5	29.7	0	0	0	111.2	R403 I456 L472 W494	R403-P453 VanDerWaalsContact O-CD 3.22Å; R403-P453 WeakPolarHBondContact O-CD 3.26Å; P453-I456 HydrophobicContact CB-CD1 3.72Å; P453-I456 HydrophobicContact CB-CG1 3.93Å; P453-I456 HydrophobicContact CG-CD1 3.72Å; P453-I456 HydrophobicContact CG-CG1 4.4Å; P453-I456 WeakPolarHBondContact O-CG1 3.45Å; P453-L472 HydrophobicContact CB-CD2 4.03Å; P453-L472 HydrophobicContact CG-CD2 3.57Å; P453-W494 HydrophobicContact CB-CD2 3.9Å; P453-W494 HydrophobicContact CB-CG 4.15Å; P453-W494 HydrophobicContact CB-CZ2 4.03Å; P453-W494 HydrophobicContact CG-CH2 4.39Å; P453-W494 HydrophobicContact CG-CZ2 3.74Å
454	N	81.2	Confident	83.9	Confident	127 Å²	127	53.6 Å²	53.6	68%	0.679	28%	0.275	S	S	*	.	S	Bend	trans	-122.1	126.4	177.8	-175.7	14.1	0	0	0	107.1	M480	N454-M480 WeakPolarHBondContact O-CE 3.46Å
455	P	78.3	Confident	84	Confident	52 Å²	52	51.9 Å²	51.9	34%	0.338	27%	0.266	S	S	.	.	S	Bend	cis	-106.2	26.4	19.4	40.4	-33.5	0	0	0	117	L457 Y478 V496	P455-L457 PolarHBondContact O-N 2.98Å; P455-Y478 HydrophobicContact CG-CE1 4.31Å; P455-V496 HydrophobicContact CG-CG2 4.41Å
456	I	81.3	Confident	83.6	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.276	C	S	.	.			trans	-60.9	130.8	-178.2	73.3	176.9	0	0	0	112.2	P453 V460 D476 Y478 M480	P453-I456 HydrophobicContact CB-CD1 3.72Å; P453-I456 HydrophobicContact CB-CG1 3.93Å; P453-I456 HydrophobicContact CG-CD1 3.72Å; P453-I456 HydrophobicContact CG-CG1 4.4Å; P453-I456 WeakPolarHBondContact O-CG1 3.45Å; I456-V460 HydrophobicContact CD1-CG2 3.67Å; I456-D476 WeakPolarHBondContact CA-OD2 3.19Å; I456-Y478 HydrophobicContact CG2-CD2 4.13Å; I456-Y478 HydrophobicContact CG2-CG 4.37Å; I456-M480 HydrophobicContact CG2-SD 3.35Å; I456-M480 WeakPolarHBondContact CG2-SD 3.33Å
457	L	79.2	Confident	83.1	Confident	135 Å²	135	51 Å²	51	71%	0.707	27%	0.267	S	S	*	.			trans	-104.8	-19.8	170	-59.2	178.4	0	0	0	111.2	R403 P455 D476	R403-L457 VanDerWaalsContact CD-O 3.24Å; R403-L457 WeakPolarHBondContact CD-O 3.29Å; P455-L457 PolarHBondContact O-N 2.98Å; L457-D476 PolarHBondContact N-OD2 3.38Å
458	G	80.4	Confident	82.8	Confident	13 Å²	13	55.9 Å²	55.9	13%	0.134	28%	0.284	C	S	.	.	S	Bend	trans	-90.8	173.7	178.9	0	0	0	0	0	114.5	R403 D476	R403-G458 WeakPolarHBondContact CG-O 3.32Å; G458-D476 PolarHBondContact N-OD1 2.99Å; G458-D476 PolarHBondContact N-OD2 3.24Å
459	Y	86.1	Confident	82.7	Confident	104 Å²	104	55 Å²	55	41%	0.408	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-72.8	146	174.6	-55.6	-45.7	0	0	0	111.4	G402 S474 V475	G402-Y459 CarbonylContact O-C 3.56Å; G402-Y459 WeakPolarHBondContact O-CA 3.46Å; Y459-S474 CarbonylContact O-C 3.51Å; Y459-S474 WeakPolarHBondContact O-CA 3.49Å; Y459-S474 WeakPolarHBondContact O-CB 3.42Å; Y459-V475 HydrophobicContact CD2-CG2 4.48Å; Y459-V475 PolarHBondContact O-N 3.47Å
460	V	88.5	Confident	82.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126	167.7	179.5	0	0	0	0	108.9	L386 G402 I456 I463 L472 T473	L386-V460 WeakPolarHBondContact CB-O 3.41Å; G402-V460 WeakPolarHBondContact O-CG2 3.22Å; G402-V460 PolarHBondContact O-N 3.14Å; I456-V460 HydrophobicContact CD1-CG2 3.67Å; V460-I463 HydrophobicContact CG1-CD1 3.85Å; V460-I463 HydrophobicContact CG1-CG1 3.57Å; V460-L472 HydrophobicContact CG1-CB 4.16Å; V460-L472 HydrophobicContact CG2-CD2 4.28Å; V460-T473 CarbonylContact C-O 3.51Å; V460-T473 WeakPolarHBondContact CA-O 3.36Å
461	T	86.2	Confident	83.1	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-14.6	-173.1	55.5	0	0	0	0	113.8	L386 T473 V475 F513 G515	L386-T461 HydrophobicContact CD1-CG2 4.12Å; T461-T473 PolarHBondContact N-O 3.41Å; T461-T473 VanDerWaalsContact OG1-C 3.32Å; T461-T473 PolarHBondContact OG1-O 3.22Å; T461-T473 PolarHBondContact OG1-OG1 3.11Å; T461-V475 HydrophobicContact CG2-CB 4.24Å; T461-V475 HydrophobicContact CG2-CG2 3.21Å; T461-F513 VanDerWaalsContact CB-O 3.31Å; T461-F513 WeakPolarHBondContact CB-O 3.43Å; T461-F513 WeakPolarHBondContact CG2-O 3.46Å; T461-F513 PolarHBondContact OG1-O 3.15Å; T461-G515 PolarHBondContact O-N 3.33Å
462	G	88	Confident	83.3	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.1	176	0	0	0	0	0	110	L472 T473	G462-L472 CarbonylContact O-C 3.56Å; G462-L472 WeakPolarHBondContact O-CA 3.33Å; G462-L472 WeakPolarHBondContact O-CB 3.46Å; G462-T473 WeakPolarHBondContact CA-OG1 3.38Å; G462-T473 PolarHBondContact N-O 3.08Å; G462-T473 PolarHBondContact N-OG1 3.06Å; G462-T473 VanDerWaalsContact N-OG1 3.13Å; G462-T473 PolarHBondContact O-N 3.08Å
463	I	89.7	Confident	83.5	Confident	11 Å²	11	43.3 Å²	43.3	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.9	176.9	-60.6	176.9	0	0	0	107.2	A387 A389 C398 L405 V460 L470 L471 L472	A387-I463 HydrophobicContact CB-CB 4.31Å; A387-I463 HydrophobicContact CB-CD1 4.21Å; A387-I463 HydrophobicContact CB-CG1 3.84Å; A389-I463 HydrophobicContact CB-CB 4.17Å; A389-I463 HydrophobicContact CB-CG2 3.61Å; C398-I463 HydrophobicContact CB-CG2 4.27Å; L405-I463 HydrophobicContact CD1-CD1 3.67Å; V460-I463 HydrophobicContact CG1-CD1 3.85Å; V460-I463 HydrophobicContact CG1-CG1 3.57Å; I463-L470 HydrophobicContact CG2-CD1 3.5Å; I463-L470 VanDerWaalsContact CG2-CD1 3.5Å; I463-L471 CarbonylContact C-O 3.51Å; I463-L471 WeakPolarHBondContact CA-O 3.27Å; I463-L472 HydrophobicContact CG1-CB 4.39Å
464	H	86.9	Confident	83.5	Confident	46 Å²	46	43.2 Å²	43.2	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131	167.9	-178.1	79	0	0	0	108.7	L471 L516 V518	H464-L471 HydrophobicContact CB-CB 4.33Å; H464-L471 PolarHBondContact N-O 2.95Å; H464-L471 PolarHBondContact O-N 3.36Å; H464-L516 HydrophobicContact CB-CD2 3.74Å; H464-L516 HydrophobicContact CB-CG 3.9Å; H464-V518 HydrophobicContact CB-CG2 3.97Å; H464-V518 WeakPolarHBondContact CD2-CG2 3.46Å; H464-V518 VanDerWaalsContact CG-CG2 3.43Å
465	L	84.8	Confident	83.6	Confident	14 Å²	14	38.6 Å²	38.6	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.4	-177.2	173.7	61.9	0	0	0	108.2	A389 S391 L396 L470 L484	A389-L465 HydrophobicContact CB-CB 3.5Å; A389-L465 VanDerWaalsContact CB-CB 3.5Å; S391-L465 VanDerWaalsContact CB-CD2 3.43Å; L396-L465 HydrophobicContact CB-CD2 4.44Å; L396-L465 HydrophobicContact CD2-CD2 4.4Å; L396-L465 WeakPolarHBondContact O-CD2 3.22Å; L465-L470 HydrophobicContact CB-CD1 4.16Å; L465-L470 HydrophobicContact CD1-CD1 4.09Å; L465-L484 HydrophobicContact CD1-CD1 3.09Å; L465-L484 HydrophobicContact CD1-CG 4.48Å
466	D	75.9	Confident	83.7	Confident	86 Å²	86	37.3 Å²	37.3	46%	0.46	19%	0.188	S	C	.	.			trans	-105.4	177.5	168.8	-163.7	5.6	0	0	0	109.8	E468 Q469	D466-E468 PolarHBondContact O-N 3.16Å; D466-Q469 PolarHBondContact N-O 3.44Å
467	N	69	Low	83.7	Confident	86 Å²	86	37.4 Å²	37.4	46%	0.46	19%	0.189	S	C	.	.	S	Bend	trans	-61	-23.4	-178.4	-75.8	-17.2	0	0	0	114.1	S393 R394	S393-N467 PolarHBondContact OG-OD1 2.85Å; R394-N467 PolarHBondContact NE-O 3.02Å; R394-N467 PolarHBondContact NH2-O 3.29Å
468	E	74.1	Confident	84	Confident	123 Å²	123	34 Å²	34	58%	0.575	17%	0.168	S	C	*	.	S	Bend	trans	-124.4	-26.9	-177.3	-64.6	-176.5	173.7	0	0	112.8	D466 S483 L484	D466-E468 PolarHBondContact O-N 3.16Å; E468-S483 WeakPolarHBondContact O-CA 3.33Å; E468-L484 PolarHBondContact O-N 3.41Å
469	Q	81.8	Confident	84.3	Confident	87 Å²	87	33.4 Å²	33.4	41%	0.407	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.1	-169.7	-61.8	-173.3	8.4	0	0	112.2	D466 T482	D466-Q469 PolarHBondContact N-O 3.44Å; Q469-T482 WeakPolarHBondContact CA-O 3.26Å
470	L	87.6	Confident	84.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.8	168.8	179.8	72.5	0	0	0	108.7	C398 L405 I463 L465 R481 T482 L484 L492 W494	C398-L470 HydrophobicContact CB-CD1 4.31Å; L405-L470 HydrophobicContact CD1-CD2 4.29Å; L405-L470 HydrophobicContact CD2-CD2 3.3Å; L405-L470 HydrophobicContact CG-CD2 4.42Å; I463-L470 HydrophobicContact CG2-CD1 3.5Å; I463-L470 VanDerWaalsContact CG2-CD1 3.5Å; L465-L470 HydrophobicContact CB-CD1 4.16Å; L465-L470 HydrophobicContact CD1-CD1 4.09Å; L470-R481 CarbonylContact O-C 3.57Å; L470-R481 VanDerWaalsContact O-CA 3.26Å; L470-R481 WeakPolarHBondContact O-CA 3.38Å; L470-T482 HydrophobicContact CB-CG2 3.8Å; L470-T482 HydrophobicContact CD2-CG2 4.13Å; L470-T482 HydrophobicContact CG-CG2 4.39Å; L470-T482 PolarHBondContact N-O 2.88Å; L470-T482 PolarHBondContact O-N 3.24Å; L470-L484 HydrophobicContact CB-CD1 4.17Å; L470-L484 HydrophobicContact CB-CD2 4.11Å; L470-L484 HydrophobicContact CB-CG 4.09Å; L470-L484 HydrophobicContact CD2-CD2 4.43Å; L470-L492 HydrophobicContact CD2-CD1 4.33Å; L470-W494 HydrophobicContact CD2-CH2 3.6Å; L470-W494 HydrophobicContact CD2-CZ2 4.24Å; L470-W494 HydrophobicContact CG-CH2 4.15Å
471	L	88.2	Confident	84.3	Confident	13 Å²	13	32.7 Å²	32.7	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144	174.1	-71.4	147.5	0	0	0	109.5	I463 H464 M480 R481 L516 V518 I525	I463-L471 CarbonylContact C-O 3.51Å; I463-L471 WeakPolarHBondContact CA-O 3.27Å; H464-L471 HydrophobicContact CB-CB 4.33Å; H464-L471 PolarHBondContact N-O 2.95Å; H464-L471 PolarHBondContact O-N 3.36Å; L471-M480 CarbonylContact C-O 3.56Å; L471-M480 VanDerWaalsContact CA-O 3.26Å; L471-M480 WeakPolarHBondContact CA-O 3.09Å; L471-R481 HydrophobicContact CD2-CB 3.57Å; L471-R481 HydrophobicContact CG-CB 4.22Å; L471-L516 HydrophobicContact CB-CD2 3.62Å; L471-L516 WeakPolarHBondContact O-CD2 3.2Å; L471-V518 HydrophobicContact CD1-CG2 4Å; L471-I525 HydrophobicContact CD1-CD1 3.75Å; L471-I525 HydrophobicContact CD2-CD1 3.7Å; L471-I525 HydrophobicContact CG-CD1 4.36Å
472	L	91	Very high	84.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.8	172.2	67.7	77.2	0	0	0	112.8	P453 V460 G462 I463 L479 M480 W494	P453-L472 HydrophobicContact CB-CD2 4.03Å; P453-L472 HydrophobicContact CG-CD2 3.57Å; V460-L472 HydrophobicContact CG1-CB 4.16Å; V460-L472 HydrophobicContact CG2-CD2 4.28Å; G462-L472 CarbonylContact O-C 3.56Å; G462-L472 WeakPolarHBondContact O-CA 3.33Å; G462-L472 WeakPolarHBondContact O-CB 3.46Å; I463-L472 HydrophobicContact CG1-CB 4.39Å; L472-L479 WeakPolarHBondContact O-CA 3.36Å; L472-M480 HydrophobicContact CD1-CB 3.94Å; L472-M480 HydrophobicContact CD1-CG 4.09Å; L472-M480 HydrophobicContact CD1-SD 4.13Å; L472-M480 HydrophobicContact CG-CB 4.18Å; L472-M480 PolarHBondContact N-O 3.09Å; L472-M480 PolarHBondContact O-N 2.63Å; L472-W494 HydrophobicContact CD2-CE3 4.15Å; L472-W494 HydrophobicContact CD2-CH2 3.21Å; L472-W494 HydrophobicContact CD2-CZ2 3.87Å; L472-W494 HydrophobicContact CD2-CZ3 3.39Å; L472-W494 HydrophobicContact CG-CE3 4.37Å; L472-W494 HydrophobicContact CG-CH2 3.97Å; L472-W494 HydrophobicContact CG-CZ3 3.64Å
473	T	89.1	Confident	84.1	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	154.5	167.1	48.5	0	0	0	0	110.5	V460 T461 G462 Y478 L479 F513 G515 L516 F527	V460-T473 CarbonylContact C-O 3.51Å; V460-T473 WeakPolarHBondContact CA-O 3.36Å; T461-T473 PolarHBondContact N-O 3.41Å; T461-T473 VanDerWaalsContact OG1-C 3.32Å; T461-T473 PolarHBondContact OG1-O 3.22Å; T461-T473 PolarHBondContact OG1-OG1 3.11Å; G462-T473 WeakPolarHBondContact CA-OG1 3.38Å; G462-T473 PolarHBondContact N-O 3.08Å; G462-T473 PolarHBondContact N-OG1 3.06Å; G462-T473 VanDerWaalsContact N-OG1 3.13Å; G462-T473 PolarHBondContact O-N 3.08Å; T473-Y478 CarbonylContact C-O 3.51Å; T473-Y478 VanDerWaalsContact CA-O 3.24Å; T473-Y478 WeakPolarHBondContact CA-O 3.44Å; T473-L479 HydrophobicContact CG2-CB 4.42Å; T473-L479 HydrophobicContact CG2-CD1 3.51Å; T473-F513 HydrophobicContact CG2-CB 4.23Å; T473-G515 PolarHBondContact OG1-O 3.47Å; T473-L516 HydrophobicContact CG2-CB 4.49Å; T473-L516 HydrophobicContact CG2-CD1 4.01Å; T473-F527 HydrophobicContact CG2-CB 4.16Å; T473-F527 HydrophobicContact CG2-CG 4.33Å
474	S	86.6	Confident	83.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.5	-178.2	68.7	0	0	0	0	114.1	Y459 D476 G477 Y478 F513	Y459-S474 CarbonylContact O-C 3.51Å; Y459-S474 WeakPolarHBondContact O-CA 3.49Å; Y459-S474 WeakPolarHBondContact O-CB 3.42Å; S474-D476 WeakPolarHBondContact CB-OD1 3.49Å; S474-D476 PolarHBondContact O-N 3.32Å; S474-D476 PolarHBondContact OG-OD1 3.31Å; S474-G477 PolarHBondContact O-N 3.43Å; S474-Y478 PolarHBondContact N-O 3.37Å; S474-Y478 WeakPolarHBondContact OG-CB 3.43Å; S474-Y478 PolarHBondContact OG-N 2.88Å; S474-Y478 PolarHBondContact OG-O 3.16Å; S474-F513 CarbonylContact C-O 3.45Å; S474-F513 PolarHBondContact O-N 3.35Å; S474-F513 VanDerWaalsContact O-N 3.16Å
475	V	82.4	Confident	82.8	Confident	29 Å²	29	37.6 Å²	37.6	18%	0.176	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27	178.4	178.9	0	0	0	0	112	Y459 T461 G477 H510 E512	Y459-V475 HydrophobicContact CD2-CG2 4.48Å; Y459-V475 PolarHBondContact O-N 3.47Å; T461-V475 HydrophobicContact CG2-CB 4.24Å; T461-V475 HydrophobicContact CG2-CG2 3.21Å; V475-G477 PolarHBondContact O-N 2.75Å; V475-H510 PolarHBondContact O-CE1 2.84Å; V475-E512 HydrophobicContact CG1-CB 4.3Å; V475-E512 HydrophobicContact CG1-CG 3.86Å; V475-E512 VanDerWaalsContact O-CA 3.24Å; V475-E512 WeakPolarHBondContact O-CA 3.37Å; V475-E512 WeakPolarHBondContact O-CB 3.43Å; V475-E512 WeakPolarHBondContact O-CG 3.25Å
476	D	80.1	Confident	81.4	Confident	25 Å²	25	41.9 Å²	41.9	13%	0.134	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	11.6	175	57.6	-24.9	0	0	0	114.5	I456 L457 G458 S474 Y478	I456-D476 WeakPolarHBondContact CA-OD2 3.19Å; L457-D476 PolarHBondContact N-OD2 3.38Å; G458-D476 PolarHBondContact N-OD1 2.99Å; G458-D476 PolarHBondContact N-OD2 3.24Å; S474-D476 WeakPolarHBondContact CB-OD1 3.49Å; S474-D476 PolarHBondContact O-N 3.32Å; S474-D476 PolarHBondContact OG-OD1 3.31Å; D476-Y478 HydrophobicContact CB-CD2 4.25Å; D476-Y478 HydrophobicContact CB-CE2 4.21Å; D476-Y478 VanDerWaalsContact CG-CD2 3.45Å; D476-Y478 WeakPolarHBondContact OD2-CD2 3.27Å; D476-Y478 WeakPolarHBondContact OD2-CE2 3.13Å
477	G	82	Confident	80.5	Confident	4 Å²	4	39.5 Å²	39.5	4%	0.041	20%	0.197	C	C	.	.	S	Bend	trans	79.1	31.8	169.3	0	0	0	0	0	113.5	S474 V475 S499 W511 F513	S474-G477 PolarHBondContact O-N 3.43Å; V475-G477 PolarHBondContact O-N 2.75Å; G477-S499 WeakPolarHBondContact O-CA 3.45Å; G477-W511 WeakPolarHBondContact CA-O 3.36Å; G477-W511 PolarHBondContact N-O 2.75Å; G477-F513 WeakPolarHBondContact O-CD2 3.49Å; G477-F513 WeakPolarHBondContact O-CE2 3.12Å
478	Y	86	Confident	79.9	Confident	65 Å²	65	40.4 Å²	40.4	26%	0.255	21%	0.211	S	C	.	.			trans	-103.7	138.5	170.4	-63.5	-83.7	0	0	0	111.2	P455 I456 T473 S474 D476 V496	P455-Y478 HydrophobicContact CG-CE1 4.31Å; I456-Y478 HydrophobicContact CG2-CD2 4.13Å; I456-Y478 HydrophobicContact CG2-CG 4.37Å; T473-Y478 CarbonylContact C-O 3.51Å; T473-Y478 VanDerWaalsContact CA-O 3.24Å; T473-Y478 WeakPolarHBondContact CA-O 3.44Å; S474-Y478 PolarHBondContact N-O 3.37Å; S474-Y478 WeakPolarHBondContact OG-CB 3.43Å; S474-Y478 PolarHBondContact OG-N 2.88Å; S474-Y478 PolarHBondContact OG-O 3.16Å; D476-Y478 HydrophobicContact CB-CD2 4.25Å; D476-Y478 HydrophobicContact CB-CE2 4.21Å; D476-Y478 VanDerWaalsContact CG-CD2 3.45Å; D476-Y478 WeakPolarHBondContact OD2-CD2 3.27Å; D476-Y478 WeakPolarHBondContact OD2-CE2 3.13Å; Y478-V496 HydrophobicContact CD1-CG1 3.94Å; Y478-V496 HydrophobicContact CD1-CG2 4.18Å; Y478-V496 HydrophobicContact CE1-CG1 4.49Å
479	L	86.2	Confident	78.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.9	155.8	177.1	71	0	0	0	107.2	L472 T473 V497 W498 L516 I525 L553 F555	L472-L479 WeakPolarHBondContact O-CA 3.36Å; T473-L479 HydrophobicContact CG2-CB 4.42Å; T473-L479 HydrophobicContact CG2-CD1 3.51Å; L479-V497 HydrophobicContact CD2-CB 4.14Å; L479-V497 HydrophobicContact CD2-CG1 3.88Å; L479-V497 HydrophobicContact CG-CB 4.1Å; L479-V497 HydrophobicContact CG-CG1 4.38Å; L479-V497 WeakPolarHBondContact O-CB 3.16Å; L479-V497 PolarHBondContact O-N 3.44Å; L479-W498 HydrophobicContact CB-CB 3.9Å; L479-W498 HydrophobicContact CD2-CB 4.2Å; L479-W498 PolarHBondContact N-O 3.01Å; L479-W498 PolarHBondContact O-N 3.47Å; L479-L516 HydrophobicContact CD1-CD1 3.8Å; L479-L516 HydrophobicContact CD1-CD2 4.49Å; L479-I525 HydrophobicContact CD1-CG2 4.3Å; L479-I525 HydrophobicContact CD2-CG2 4.34Å; L479-L553 HydrophobicContact CD2-CD1 4.42Å; L479-F555 HydrophobicContact CD2-CE2 3.4Å; L479-F555 HydrophobicContact CD2-CZ 3.38Å
480	M	86.5	Confident	77.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.4	-175.1	-55	-176.4	76.6	0	0	111.4	N454 I456 L471 L472 W494 Q495 V496	N454-M480 WeakPolarHBondContact O-CE 3.46Å; I456-M480 HydrophobicContact CG2-SD 3.35Å; I456-M480 WeakPolarHBondContact CG2-SD 3.33Å; L471-M480 CarbonylContact C-O 3.56Å; L471-M480 VanDerWaalsContact CA-O 3.26Å; L471-M480 WeakPolarHBondContact CA-O 3.09Å; L472-M480 HydrophobicContact CD1-CB 3.94Å; L472-M480 HydrophobicContact CD1-CG 4.09Å; L472-M480 HydrophobicContact CD1-SD 4.13Å; L472-M480 HydrophobicContact CG-CB 4.18Å; L472-M480 PolarHBondContact N-O 3.09Å; L472-M480 PolarHBondContact O-N 2.63Å; M480-W494 HydrophobicContact CB-CE3 3.84Å; M480-W494 HydrophobicContact CB-CZ3 4.35Å; M480-W494 HydrophobicContact CE-CB 3.43Å; M480-W494 VanDerWaalsContact CE-CB 3.43Å; M480-W494 HydrophobicContact CE-CG 4.12Å; M480-Q495 CarbonylContact C-O 3.55Å; M480-Q495 VanDerWaalsContact CA-O 3.26Å; M480-Q495 WeakPolarHBondContact CA-O 3.17Å; M480-V496 HydrophobicContact CE-CG2 3.88Å; M480-V496 HydrophobicContact CG-CG2 4.46Å
481	R	87.3	Confident	76.8	Confident	88 Å²	88	48.3 Å²	48.3	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.5	173.8	73.6	-176.9	179.8	-173.2	-1.7	112.2	L470 L471 Q495 V497	L470-R481 CarbonylContact O-C 3.57Å; L470-R481 VanDerWaalsContact O-CA 3.26Å; L470-R481 WeakPolarHBondContact O-CA 3.38Å; L471-R481 HydrophobicContact CD2-CB 3.57Å; L471-R481 HydrophobicContact CG-CB 4.22Å; R481-Q495 HydrophobicContact CG-CB 4.06Å; R481-Q495 PolarHBondContact N-O 3.49Å; R481-Q495 VanDerWaalsContact NH2-OE1 3.13Å; R481-Q495 PolarHBondContact O-N 2.91Å; R481-V497 HydrophobicContact CB-CG2 3.84Å; R481-V497 HydrophobicContact CG-CG2 3.53Å
482	T	87.2	Confident	76.4	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.7	170	-177	0	0	0	0	109.7	Q469 L470 L492 N493 W494	Q469-T482 WeakPolarHBondContact CA-O 3.26Å; L470-T482 HydrophobicContact CB-CG2 3.8Å; L470-T482 HydrophobicContact CD2-CG2 4.13Å; L470-T482 HydrophobicContact CG-CG2 4.39Å; L470-T482 PolarHBondContact N-O 2.88Å; L470-T482 PolarHBondContact O-N 3.24Å; T482-L492 HydrophobicContact CG2-CB 4.07Å; T482-L492 HydrophobicContact CG2-CD1 4.15Å; T482-L492 HydrophobicContact CG2-CD2 4.31Å; T482-L492 HydrophobicContact CG2-CG 4.4Å; T482-N493 PolarHBondContact OG1-N 2.77Å; T482-N493 PolarHBondContact OG1-O 3.43Å; T482-W494 HydrophobicContact CG2-CD2 4.18Å; T482-W494 HydrophobicContact CG2-CE3 3.9Å; T482-W494 HydrophobicContact CG2-CH2 3.61Å; T482-W494 HydrophobicContact CG2-CZ2 3.9Å; T482-W494 HydrophobicContact CG2-CZ3 3.61Å
483	S	83.7	Confident	76	Confident	51 Å²	51	53.7 Å²	53.7	36%	0.357	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.9	164.5	174.7	0	0	0	0	110	E468 D485	E468-S483 WeakPolarHBondContact O-CA 3.33Å; S483-D485 VanDerWaalsContact OG-CG 3.32Å; S483-D485 PolarHBondContact OG-N 3Å; S483-D485 VanDerWaalsContact OG-N 3.14Å; S483-D485 PolarHBondContact OG-OD2 3.34Å
484	L	77.6	Confident	75.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.287	C	S	.	.	S	Bend	trans	-103.9	11.7	174.2	-68	172.3	0	0	0	113.4	R394 L396 L407 L465 E468 L470 E486 V487 L492	R394-L484 PolarHBondContact NH1-O 2.76Å; L396-L484 HydrophobicContact CD2-CD1 4.37Å; L407-L484 HydrophobicContact CD2-CD2 4.42Å; L465-L484 HydrophobicContact CD1-CD1 3.09Å; L465-L484 HydrophobicContact CD1-CG 4.48Å; E468-L484 PolarHBondContact O-N 3.41Å; L470-L484 HydrophobicContact CB-CD1 4.17Å; L470-L484 HydrophobicContact CB-CD2 4.11Å; L470-L484 HydrophobicContact CB-CG 4.09Å; L470-L484 HydrophobicContact CD2-CD2 4.43Å; L484-E486 PolarHBondContact O-N 2.86Å; L484-V487 HydrophobicContact CB-CG2 3.91Å; L484-V487 HydrophobicContact CD2-CG2 3.74Å; L484-V487 HydrophobicContact CG-CG2 4.43Å; L484-V487 WeakPolarHBondContact O-CG2 3.18Å; L484-L492 HydrophobicContact CD2-CD2 4.15Å
485	D	70.8	Confident	75.8	Confident	111 Å²	111	60.4 Å²	60.4	59%	0.594	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.8	177.3	-57.8	-34.4	0	0	0	111.6	R394 S483	R394-D485 IonicContact NH2-OD1 2.82Å; R394-D485 PolarHBondContact NH2-OD1 2.92Å; S483-D485 VanDerWaalsContact OG-CG 3.32Å; S483-D485 PolarHBondContact OG-N 3Å; S483-D485 VanDerWaalsContact OG-N 3.14Å; S483-D485 PolarHBondContact OG-OD2 3.34Å
486	E	56.2	Low	75.8	Confident	104 Å²	104	62.2 Å²	62.2	49%	0.486	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	30.1	-178.2	-61.9	177.9	166	0	0	113.6	L484 S488 E489 N493	L484-E486 PolarHBondContact O-N 2.86Å; E486-S488 PolarHBondContact O-N 2.79Å; E486-E489 PolarHBondContact O-N 2.88Å; E486-N493 PolarHBondContact OE2-ND2 3.36Å; E486-N493 VanDerWaalsContact OE2-ND2 3.17Å
487	V	57.4	Low	75.7	Confident	35 Å²	35	62.5 Å²	62.5	21%	0.212	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-63	-16.9	-177	172	0	0	0	0	113.1	L484 E489	L484-V487 HydrophobicContact CB-CG2 3.91Å; L484-V487 HydrophobicContact CD2-CG2 3.74Å; L484-V487 HydrophobicContact CG-CG2 4.43Å; L484-V487 WeakPolarHBondContact O-CG2 3.18Å; V487-E489 PolarHBondContact O-N 3.49Å
488	S	57	Low	75.5	Confident	106 Å²	106	64.8 Å²	64.8	74%	0.741	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.7	179.1	46.3	0	0	0	0	114.8	E486	E486-S488 PolarHBondContact O-N 2.79Å
489	E	50.5	Low	75.2	Confident	150 Å²	150	65 Å²	65	70%	0.701	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-110.3	10	-168.6	-66.5	-162.4	168.5	0	0	116.6	E486 V487 K491	E486-E489 PolarHBondContact O-N 2.88Å; V487-E489 PolarHBondContact O-N 3.49Å; E489-K491 PolarHBondContact O-N 2.67Å
490	C	58.1	Low	74.4	Confident	62 Å²	62	68.3 Å²	68.3	42%	0.419	37%	0.365	S	S	.	.	S	Bend	trans	57.2	-11.3	-178.1	-68.5	0	0	0	0	116.3	S451	S451-C490 PolarHBondContact OG-O 2.94Å
491	K	67.9	Low	73.4	Confident	164 Å²	164	68.8 Å²	68.8	71%	0.713	37%	0.368	S	S	*	.			trans	-101	96.9	177.6	-71.3	-175.1	179.7	178.2	0	108.9	E489	E489-K491 PolarHBondContact O-N 2.67Å
492	L	80.2	Confident	72.1	Confident	17 Å²	17	69.4 Å²	69.4	9%	0.089	38%	0.378	C	S	.	.			trans	-80.8	129.6	171.1	-66.6	171.7	0	0	0	108.9	L405 L470 T482 L484 W494	L405-L492 HydrophobicContact CD2-CD1 3.72Å; L470-L492 HydrophobicContact CD2-CD1 4.33Å; T482-L492 HydrophobicContact CG2-CB 4.07Å; T482-L492 HydrophobicContact CG2-CD1 4.15Å; T482-L492 HydrophobicContact CG2-CD2 4.31Å; T482-L492 HydrophobicContact CG2-CG 4.4Å; L484-L492 HydrophobicContact CD2-CD2 4.15Å; L492-W494 HydrophobicContact CB-CZ2 4.24Å; L492-W494 HydrophobicContact CD1-CZ2 3.86Å; L492-W494 PolarHBondContact O-N 3.07Å
493	N	82.4	Confident	70.8	Confident	109 Å²	109	71.1 Å²	71.1	58%	0.583	38%	0.384	S	S	*	.			trans	-82.5	96.3	177.5	-77.5	-40.3	0	0	0	110.1	T482 E486	T482-N493 PolarHBondContact OG1-N 2.77Å; T482-N493 PolarHBondContact OG1-O 3.43Å; E486-N493 PolarHBondContact OE2-ND2 3.36Å; E486-N493 VanDerWaalsContact OE2-ND2 3.17Å
494	W	86	Confident	69.4	Low	36 Å²	36	76.6 Å²	76.6	14%	0.136	41%	0.409	C	S	.	.			trans	-82.5	131.8	-176.3	-64.8	93.6	0	0	0	113	L405 P453 L470 L472 M480 T482 L492	L405-W494 HydrophobicContact CD2-CH2 4.31Å; L405-W494 HydrophobicContact CD2-CZ2 4.03Å; P453-W494 HydrophobicContact CB-CD2 3.9Å; P453-W494 HydrophobicContact CB-CG 4.15Å; P453-W494 HydrophobicContact CB-CZ2 4.03Å; P453-W494 HydrophobicContact CG-CH2 4.39Å; P453-W494 HydrophobicContact CG-CZ2 3.74Å; L470-W494 HydrophobicContact CD2-CH2 3.6Å; L470-W494 HydrophobicContact CD2-CZ2 4.24Å; L470-W494 HydrophobicContact CG-CH2 4.15Å; L472-W494 HydrophobicContact CD2-CE3 4.15Å; L472-W494 HydrophobicContact CD2-CH2 3.21Å; L472-W494 HydrophobicContact CD2-CZ2 3.87Å; L472-W494 HydrophobicContact CD2-CZ3 3.39Å; L472-W494 HydrophobicContact CG-CE3 4.37Å; L472-W494 HydrophobicContact CG-CH2 3.97Å; L472-W494 HydrophobicContact CG-CZ3 3.64Å; M480-W494 HydrophobicContact CB-CE3 3.84Å; M480-W494 HydrophobicContact CB-CZ3 4.35Å; M480-W494 HydrophobicContact CE-CB 3.43Å; M480-W494 VanDerWaalsContact CE-CB 3.43Å; M480-W494 HydrophobicContact CE-CG 4.12Å; T482-W494 HydrophobicContact CG2-CD2 4.18Å; T482-W494 HydrophobicContact CG2-CE3 3.9Å; T482-W494 HydrophobicContact CG2-CH2 3.61Å; T482-W494 HydrophobicContact CG2-CZ2 3.9Å; T482-W494 HydrophobicContact CG2-CZ3 3.61Å; L492-W494 HydrophobicContact CB-CZ2 4.24Å; L492-W494 HydrophobicContact CD1-CZ2 3.86Å; L492-W494 PolarHBondContact O-N 3.07Å
495	Q	85.1	Confident	68.4	Low	105 Å²	105	83.5 Å²	83.5	49%	0.491	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.6	169	-64.2	178.4	-1.2	0	0	109.2	M480 R481 V497	M480-Q495 CarbonylContact C-O 3.55Å; M480-Q495 VanDerWaalsContact CA-O 3.26Å; M480-Q495 WeakPolarHBondContact CA-O 3.17Å; R481-Q495 HydrophobicContact CG-CB 4.06Å; R481-Q495 PolarHBondContact N-O 3.49Å; R481-Q495 VanDerWaalsContact NH2-OE1 3.13Å; R481-Q495 PolarHBondContact O-N 2.91Å; Q495-V497 PolarHBondContact O-N 3.35Å
496	V	84.3	Confident	67.7	Low	67 Å²	67	79.9 Å²	79.9	41%	0.406	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.9	169.3	178	0	0	0	0	108.1	P455 Y478 M480	P455-V496 HydrophobicContact CG-CG2 4.41Å; Y478-V496 HydrophobicContact CD1-CG1 3.94Å; Y478-V496 HydrophobicContact CD1-CG2 4.18Å; Y478-V496 HydrophobicContact CE1-CG1 4.49Å; M480-V496 HydrophobicContact CE-CG2 3.88Å; M480-V496 HydrophobicContact CG-CG2 4.46Å
497	V	78	Confident	67.8	Low	31 Å²	31	82.3 Å²	82.3	19%	0.188	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-37.4	-178.9	179.8	0	0	0	0	110.4	L479 R481 Q495 F555	L479-V497 HydrophobicContact CD2-CB 4.14Å; L479-V497 HydrophobicContact CD2-CG1 3.88Å; L479-V497 HydrophobicContact CG-CB 4.1Å; L479-V497 HydrophobicContact CG-CG1 4.38Å; L479-V497 WeakPolarHBondContact O-CB 3.16Å; L479-V497 PolarHBondContact O-N 3.44Å; R481-V497 HydrophobicContact CB-CG2 3.84Å; R481-V497 HydrophobicContact CG-CG2 3.53Å; Q495-V497 PolarHBondContact O-N 3.35Å; V497-F555 HydrophobicContact CG1-CD1 3.39Å; V497-F555 HydrophobicContact CG1-CD2 3.9Å; V497-F555 HydrophobicContact CG1-CE1 3.19Å; V497-F555 HydrophobicContact CG1-CE2 3.7Å; V497-F555 HydrophobicContact CG1-CG 3.72Å; V497-F555 HydrophobicContact CG1-CZ 3.31Å
498	W	77.5	Confident	68.1	Low	51 Å²	51	86.1 Å²	86.1	19%	0.193	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	138.6	179.8	-170	-71.2	0	0	0	109.9	L479 S500 F513 L553 F555	L479-W498 HydrophobicContact CB-CB 3.9Å; L479-W498 HydrophobicContact CD2-CB 4.2Å; L479-W498 PolarHBondContact N-O 3.01Å; L479-W498 PolarHBondContact O-N 3.47Å; W498-S500 PolarHBondContact NE1-O 3.43Å; W498-F513 AromaticContact CD1-CE2 3.66Å; W498-F513 AromaticContact CD1-CZ 3.69Å; W498-F513 AromaticContact NE1-CZ 3.94Å; W498-L553 HydrophobicContact CB-CD1 4.44Å; W498-L553 HydrophobicContact CD2-CD1 3.49Å; W498-L553 VanDerWaalsContact CD2-CD1 3.49Å; W498-L553 HydrophobicContact CE3-CD1 3.25Å; W498-L553 HydrophobicContact CE3-CD2 3.95Å; W498-L553 HydrophobicContact CE3-CG 4.22Å; W498-L553 HydrophobicContact CG-CD1 4.07Å; W498-L553 HydrophobicContact CH2-CD1 4.13Å; W498-L553 HydrophobicContact CH2-CD2 3.39Å; W498-L553 HydrophobicContact CH2-CG 4.43Å; W498-L553 HydrophobicContact CZ2-CD1 4.37Å; W498-L553 HydrophobicContact CZ2-CD2 4.1Å; W498-L553 HydrophobicContact CZ3-CD1 3.58Å; W498-L553 HydrophobicContact CZ3-CD2 3.31Å; W498-L553 HydrophobicContact CZ3-CG 4.06Å; W498-F555 HydrophobicContact CB-CZ 4.47Å; W498-F555 HydrophobicContact CE3-CE1 4.09Å; W498-F555 HydrophobicContact CE3-CZ 4.25Å
499	S	79.8	Confident	68.4	Low	70 Å²	70	83.1 Å²	83.1	49%	0.49	44%	0.438	S	S	.	.			trans	-147.4	9.8	-179.1	64.8	0	0	0	0	115.3	G477	G477-S499 WeakPolarHBondContact O-CA 3.45Å
500	S	69.4	Low	69.2	Low	70 Å²	70	80.9 Å²	80.9	49%	0.49	43%	0.427	S	S	.	.			trans	-128.2	141.6	-175.4	53.2	0	0	0	0	112	W498	W498-S500 PolarHBondContact NE1-O 3.43Å
501	S	65.3	Low	69.9	Low	10 Å²	10	78.7 Å²	78.7	7%	0.07	41%	0.41	C	S	.	.			trans	-76.8	147.8	170.8	-174.4	0	0	0	0	111.1	Y503 S506 W511 E529	S501-Y503 VanDerWaalsContact C-N 3.28Å; S501-Y503 PolarHBondContact OG-N 3.13Å; S501-S506 WeakPolarHBondContact O-CB 3.36Å; S501-W511 VanDerWaalsContact CB-NE1 3.3Å; S501-E529 VanDerWaalsContact CA-OE1 3.3Å; S501-E529 WeakPolarHBondContact CA-OE1 3.38Å; S501-E529 WeakPolarHBondContact CB-OE1 3.34Å; S501-E529 PolarHBondContact OG-OE1 3.27Å; S501-E529 PolarHBondContact OG-OE2 3.31Å
502	N	59.2	Low	70.4	Confident	100 Å²	100	72.7 Å²	72.7	54%	0.535	38%	0.384	S	S	.	.			trans	-87.7	11.6	171.5	-74.5	-11.9	0	0	0	113.1
503	Y	60.4	Low	70.5	Confident	43 Å²	43	72 Å²	72	17%	0.169	38%	0.38	C	S	.	.	S	Bend	trans	-71.8	146.1	175.5	-119.1	-78.1	0	0	0	111.9	S501 K505 S506 W511 L546 R549	S501-Y503 VanDerWaalsContact C-N 3.28Å; S501-Y503 PolarHBondContact OG-N 3.13Å; Y503-K505 PolarHBondContact O-N 3.37Å; Y503-S506 PolarHBondContact O-N 3.47Å; Y503-W511 AromaticContact CD2-CH2 3.24Å; Y503-W511 HydrophobicContact CD2-CH2 3.24Å; Y503-W511 AromaticContact CD2-CZ2 3.58Å; Y503-W511 HydrophobicContact CD2-CZ2 3.58Å; Y503-W511 HydrophobicContact CD2-CZ3 4.11Å; Y503-W511 AromaticContact CE2-CH2 3.64Å; Y503-W511 HydrophobicContact CE2-CH2 3.64Å; Y503-W511 HydrophobicContact CE2-CZ2 4.37Å; Y503-W511 HydrophobicContact CE2-CZ3 4.38Å; Y503-W511 AromaticContact CG-CH2 3.88Å; Y503-W511 HydrophobicContact CG-CH2 3.88Å; Y503-W511 AromaticContact CG-CZ2 3.77Å; Y503-W511 HydrophobicContact CG-CZ2 3.77Å; Y503-L546 HydrophobicContact CD1-CD2 3.6Å; Y503-L546 HydrophobicContact CD2-CD2 4.28Å; Y503-L546 HydrophobicContact CE1-CD2 3.03Å; Y503-L546 HydrophobicContact CE1-CG 4.49Å; Y503-L546 HydrophobicContact CE2-CD2 3.76Å; Y503-L546 HydrophobicContact CG-CD2 4.19Å; Y503-L546 WeakPolarHBondContact OH-CD2 3.35Å; Y503-R549 VanDerWaalsContact CZ-CZ 3.49Å; Y503-R549 PolarHBondContact OH-NH2 2.8Å; Y503-R549 VanDerWaalsContact OH-NH2 3.1Å
504	D	54.1	Low	70.3	Confident	166 Å²	166	68.6 Å²	68.6	89%	0.888	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	3.9	175.1	-69.6	-27.6	0	0	0	114.7
505	K	57.5	Low	69.9	Low	147 Å²	147	68 Å²	68	64%	0.639	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.3	41.2	175.9	-62.3	-172.4	-179.8	179.2	0	111.6	Y503 D507 V508	Y503-K505 PolarHBondContact O-N 3.37Å; K505-D507 PolarHBondContact O-N 3.31Å; K505-D507 VanDerWaalsContact O-N 3.07Å; K505-V508 HydrophobicContact CB-CB 4.38Å; K505-V508 HydrophobicContact CB-CG2 4.07Å; K505-V508 PolarHBondContact O-N 3.47Å; K505-V508 VanDerWaalsContact O-N 3.13Å
506	S	54.6	Low	69.7	Low	35 Å²	35	64.3 Å²	64.3	25%	0.245	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-46.3	-37.7	178.9	53.7	0	0	0	0	113.1	S501 Y503 V508	S501-S506 WeakPolarHBondContact O-CB 3.36Å; Y503-S506 PolarHBondContact O-N 3.47Å; S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.74Å
507	D	58.9	Low	69.2	Low	155 Å²	155	62.5 Å²	62.5	83%	0.829	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-80.5	-13	-170.6	-52.9	-15	0	0	0	113.6	K505	K505-D507 PolarHBondContact O-N 3.31Å; K505-D507 VanDerWaalsContact O-N 3.07Å
508	V	62.8	Low	69	Low	114 Å²	114	61.6 Å²	61.6	69%	0.691	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-89.1	-21.4	-177	-174	0	0	0	0	111.3	K505 S506	K505-V508 HydrophobicContact CB-CB 4.38Å; K505-V508 HydrophobicContact CB-CG2 4.07Å; K505-V508 PolarHBondContact O-N 3.47Å; K505-V508 VanDerWaalsContact O-N 3.13Å; S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.74Å
509	I	63.7	Low	68.4	Low	44 Å²	44	60.1 Å²	60.1	23%	0.226	33%	0.332	C	S	.	.	S	Bend	trans	-133	131.1	-167.6	-62.6	176.3	0	0	0	108.7	W511 P531 L546	I509-W511 HydrophobicContact CB-CZ2 4.38Å; I509-W511 HydrophobicContact CG2-CZ2 4.27Å; I509-W511 PolarHBondContact O-NE1 2.92Å; I509-W511 VanDerWaalsContact O-NE1 3.11Å; I509-P531 HydrophobicContact CG2-CB 3.79Å; I509-L546 HydrophobicContact CD1-CD1 2.96Å; I509-L546 HydrophobicContact CD1-CG 4.42Å; I509-L546 HydrophobicContact CG1-CD1 4.39Å
510	H	67.2	Low	67.4	Low	103 Å²	103	59.3 Å²	59.3	48%	0.477	32%	0.324	S	S	.	.			trans	-76.6	130.2	172.3	-173.1	-73.8	0	0	0	109.7	V475 C532	V475-H510 PolarHBondContact O-CE1 2.84Å; H510-C532 HydrophobicContact CB-CB 4.08Å; H510-C532 WeakPolarHBondContact O-CB 3.26Å; H510-C532 PolarHBondContact O-N 3.48Å
511	W	72.8	Confident	66.9	Low	16 Å²	16	57.2 Å²	57.2	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.7	-177.8	-62.5	90	0	0	0	110.8	G477 S501 Y503 I509 F513 E529 K530 P531 L546	G477-W511 WeakPolarHBondContact CA-O 3.36Å; G477-W511 PolarHBondContact N-O 2.75Å; S501-W511 VanDerWaalsContact CB-NE1 3.3Å; Y503-W511 AromaticContact CD2-CH2 3.24Å; Y503-W511 HydrophobicContact CD2-CH2 3.24Å; Y503-W511 AromaticContact CD2-CZ2 3.58Å; Y503-W511 HydrophobicContact CD2-CZ2 3.58Å; Y503-W511 HydrophobicContact CD2-CZ3 4.11Å; Y503-W511 AromaticContact CE2-CH2 3.64Å; Y503-W511 HydrophobicContact CE2-CH2 3.64Å; Y503-W511 HydrophobicContact CE2-CZ2 4.37Å; Y503-W511 HydrophobicContact CE2-CZ3 4.38Å; Y503-W511 AromaticContact CG-CH2 3.88Å; Y503-W511 HydrophobicContact CG-CH2 3.88Å; Y503-W511 AromaticContact CG-CZ2 3.77Å; Y503-W511 HydrophobicContact CG-CZ2 3.77Å; I509-W511 HydrophobicContact CB-CZ2 4.38Å; I509-W511 HydrophobicContact CG2-CZ2 4.27Å; I509-W511 PolarHBondContact O-NE1 2.92Å; I509-W511 VanDerWaalsContact O-NE1 3.11Å; W511-F513 HydrophobicContact CB-CE1 4.43Å; W511-E529 HydrophobicContact CB-CG 4.41Å; W511-E529 HydrophobicContact CD2-CG 4.18Å; W511-E529 HydrophobicContact CE3-CG 3.5Å; W511-E529 HydrophobicContact CZ3-CG 4.15Å; W511-K530 CarbonylContact C-O 3.51Å; W511-K530 WeakPolarHBondContact CA-O 3.34Å; W511-P531 HydrophobicContact CE3-CB 4.16Å; W511-P531 HydrophobicContact CH2-CB 4.24Å; W511-P531 HydrophobicContact CZ3-CB 3.85Å; W511-P531 HydrophobicContact CZ3-CG 4.13Å; W511-L546 HydrophobicContact CH2-CB 4.36Å; W511-L546 HydrophobicContact CH2-CD1 4.21Å; W511-L546 HydrophobicContact CH2-CD2 4.39Å; W511-L546 HydrophobicContact CZ2-CD1 4.46Å
512	E	77.9	Confident	66.9	Low	38 Å²	38	57.9 Å²	57.9	18%	0.178	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.2	174.9	-47.8	-179.5	169.6	0	0	109.1	V475 H514 E529 K530 C532	V475-E512 HydrophobicContact CG1-CB 4.3Å; V475-E512 HydrophobicContact CG1-CG 3.86Å; V475-E512 VanDerWaalsContact O-CA 3.24Å; V475-E512 WeakPolarHBondContact O-CA 3.37Å; V475-E512 WeakPolarHBondContact O-CB 3.43Å; V475-E512 WeakPolarHBondContact O-CG 3.25Å; E512-H514 VanDerWaalsContact CB-NE2 3.31Å; E512-H514 WeakPolarHBondContact CB-NE2 3.31Å; E512-H514 IonicContact OE2-CD2 2.75Å; E512-H514 IonicContact OE2-CE1 3.76Å; E512-H514 IonicContact OE2-NE2 3.86Å; E512-H514 PolarHBondContact OE2-NE2 2.94Å; E512-E529 WeakPolarHBondContact O-CA 3.35Å; E512-K530 PolarHBondContact N-O 3.16Å; E512-K530 PolarHBondContact O-N 2.91Å; E512-C532 HydrophobicContact CG-CB 4.14Å
513	F	83.1	Confident	67.1	Low	1 Å²	1	53.1 Å²	53.1	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.6	170.2	-60.6	-17.3	0	0	0	109.1	T461 T473 S474 G477 W498 W511 F527 L528 E529	T461-F513 VanDerWaalsContact CB-O 3.31Å; T461-F513 WeakPolarHBondContact CB-O 3.43Å; T461-F513 WeakPolarHBondContact CG2-O 3.46Å; T461-F513 PolarHBondContact OG1-O 3.15Å; T473-F513 HydrophobicContact CG2-CB 4.23Å; S474-F513 CarbonylContact C-O 3.45Å; S474-F513 PolarHBondContact O-N 3.35Å; S474-F513 VanDerWaalsContact O-N 3.16Å; G477-F513 WeakPolarHBondContact O-CD2 3.49Å; G477-F513 WeakPolarHBondContact O-CE2 3.12Å; W498-F513 AromaticContact CD1-CE2 3.66Å; W498-F513 AromaticContact CD1-CZ 3.69Å; W498-F513 AromaticContact NE1-CZ 3.94Å; W511-F513 HydrophobicContact CB-CE1 4.43Å; F513-F527 HydrophobicContact CB-CD2 3.84Å; F513-F527 HydrophobicContact CB-CE2 4.16Å; F513-F527 HydrophobicContact CD1-CD2 4.01Å; F513-F527 AromaticContact CD1-CE2 3.54Å; F513-F527 HydrophobicContact CD1-CE2 3.54Å; F513-F527 HydrophobicContact CD2-CD2 4.3Å; F513-F527 AromaticContact CD2-CE2 3.85Å; F513-F527 HydrophobicContact CD2-CE2 3.85Å; F513-F527 HydrophobicContact CD2-CZ 4.46Å; F513-F527 AromaticContact CE1-CE2 3.83Å; F513-F527 HydrophobicContact CE1-CE2 3.83Å; F513-F527 HydrophobicContact CE2-CE2 4.11Å; F513-F527 HydrophobicContact CE2-CZ 4.43Å; F513-F527 AromaticContact CG-CD2 3.79Å; F513-F527 HydrophobicContact CG-CD2 3.79Å; F513-F527 AromaticContact CG-CE2 3.57Å; F513-F527 HydrophobicContact CG-CE2 3.57Å; F513-F527 HydrophobicContact CZ-CE2 4.11Å; F513-L528 CarbonylContact C-O 3.51Å; F513-L528 WeakPolarHBondContact CA-O 3.39Å; F513-E529 HydrophobicContact CD1-CB 4.16Å; F513-E529 HydrophobicContact CD1-CG 4.19Å; F513-E529 HydrophobicContact CE1-CB 4.21Å; F513-E529 HydrophobicContact CE1-CG 3.92Å
514	H	79	Confident	67.7	Low	38 Å²	38	51.8 Å²	51.8	18%	0.176	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.3	-174.8	-72.7	-95.1	0	0	0	111.5	E512 L528	E512-H514 VanDerWaalsContact CB-NE2 3.31Å; E512-H514 WeakPolarHBondContact CB-NE2 3.31Å; E512-H514 IonicContact OE2-CD2 2.75Å; E512-H514 IonicContact OE2-CE1 3.76Å; E512-H514 IonicContact OE2-NE2 3.86Å; E512-H514 PolarHBondContact OE2-NE2 2.94Å; H514-L528 HydrophobicContact CB-CB 4.22Å; H514-L528 PolarHBondContact N-O 3.01Å; H514-L528 WeakPolarHBondContact O-CB 3.22Å; H514-L528 PolarHBondContact O-N 3.07Å
515	G	76.3	Confident	68.5	Low	24 Å²	24	44.2 Å²	44.2	25%	0.247	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.4	168.3	-176.5	0	0	0	0	0	112.4	T461 T473 F527	T461-G515 PolarHBondContact O-N 3.33Å; T473-G515 PolarHBondContact OG1-O 3.47Å; G515-F527 WeakPolarHBondContact O-CB 3.37Å
516	L	81.1	Confident	69.3	Low	27 Å²	27	37.6 Å²	37.6	14%	0.141	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	129.2	177.5	-173.6	58.8	0	0	0	108.9	H464 L471 T473 L479 I525 C526	H464-L516 HydrophobicContact CB-CD2 3.74Å; H464-L516 HydrophobicContact CB-CG 3.9Å; L471-L516 HydrophobicContact CB-CD2 3.62Å; L471-L516 WeakPolarHBondContact O-CD2 3.2Å; T473-L516 HydrophobicContact CG2-CB 4.49Å; T473-L516 HydrophobicContact CG2-CD1 4.01Å; L479-L516 HydrophobicContact CD1-CD1 3.8Å; L479-L516 HydrophobicContact CD1-CD2 4.49Å; L516-I525 HydrophobicContact CD1-CG2 3.27Å; L516-C526 CarbonylContact C-O 3.54Å; L516-C526 WeakPolarHBondContact CA-O 3.36Å
517	S	75.3	Confident	70.3	Confident	30 Å²	30	36.2 Å²	36.2	21%	0.21	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.9	174.2	-171.3	0	0	0	0	109.7	I525 C526	S517-I525 CarbonylContact O-C 3.58Å; S517-I525 WeakPolarHBondContact O-CA 3.38Å; S517-C526 PolarHBondContact N-O 3.15Å; S517-C526 PolarHBondContact O-N 3.49Å
518	V	72.1	Confident	71.2	Confident	11 Å²	11	29.2 Å²	29.2	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.1	-179.2	-179.9	0	0	0	0	109.7	R130 H464 L471 Y524 I525	R130-V518 PolarHBondContact NE-O 2.85Å; R130-V518 PolarHBondContact NH2-O 2.76Å; H464-V518 HydrophobicContact CB-CG2 3.97Å; H464-V518 WeakPolarHBondContact CD2-CG2 3.46Å; H464-V518 VanDerWaalsContact CG-CG2 3.43Å; L471-V518 HydrophobicContact CD1-CG2 4Å; V518-Y524 CarbonylContact C-O 3.53Å; V518-Y524 WeakPolarHBondContact CA-O 3.23Å; V518-I525 HydrophobicContact CG2-CG1 4.26Å
519	S	64.8	Low	71.9	Confident	21 Å²	21	23.8 Å²	23.8	15%	0.147	14%	0.136	C	C	.	.			trans	-74.1	157.7	-175.4	83.2	0	0	0	0	113.3	R130 N521 G522 Y524 D577	R130-S519 PolarHBondContact NH2-O 3.29Å; S519-N521 PolarHBondContact O-N 3.29Å; S519-N521 PolarHBondContact OG-OD1 3.24Å; S519-G522 PolarHBondContact O-N 3Å; S519-Y524 PolarHBondContact N-O 3.02Å; S519-Y524 PolarHBondContact OG-N 3.01Å; S519-D577 WeakPolarHBondContact CB-OD2 2.99Å; S519-D577 PolarHBondContact OG-OD2 2.94Å
520	T	59.7	Low	72.3	Confident	53 Å²	53	23 Å²	23	33%	0.325	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	19.5	-73.4	160.4	136.2	0	0	0	0	120.2	R130	R130-T520 HydrophobicContact CB-CG2 4.07Å; R130-T520 HydrophobicContact CG-CG2 3.65Å; R130-T520 PolarHBondContact NH1-O 3.09Å
521	N	59.4	Low	72.3	Confident	25 Å²	25	18.2 Å²	18.2	13%	0.134	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	9.5	-157.9	51.8	0	0	0	0	110.2	S519 V523 W556 I564 D577 C578	S519-N521 PolarHBondContact O-N 3.29Å; S519-N521 PolarHBondContact OG-OD1 3.24Å; N521-V523 VanDerWaalsContact C-N 3.26Å; N521-V523 HydrophobicContact CB-CG2 4.25Å; N521-V523 VanDerWaalsContact ND2-CG2 3.28Å; N521-V523 WeakPolarHBondContact ND2-CG2 3.44Å; N521-V523 PolarHBondContact O-N 3.34Å; N521-V523 VanDerWaalsContact OD1-CB 3.27Å; N521-V523 WeakPolarHBondContact OD1-CB 3.43Å; N521-V523 VanDerWaalsContact OD1-CG2 3.27Å; N521-V523 WeakPolarHBondContact OD1-CG2 3.27Å; N521-V523 PolarHBondContact OD1-N 2.81Å; N521-V523 VanDerWaalsContact OD1-N 3.16Å; N521-W556 VanDerWaalsContact O-CH2 3.32Å; N521-W556 WeakPolarHBondContact O-CH2 3.4Å; N521-W556 WeakPolarHBondContact O-CZ2 3.43Å; N521-I564 HydrophobicContact CB-CD1 3.8Å; N521-D577 WeakPolarHBondContact ND2-CB 3.5Å; N521-D577 PolarHBondContact OD1-OD2 3Å; N521-C578 PolarHBondContact ND2-SG 2.99Å
522	G	65.5	Low	71.9	Confident	24 Å²	24	19.1 Å²	19.1	25%	0.247	12%	0.118	C	C	.	.	S	Bend	trans	82.2	-2.6	-176.8	0	0	0	0	0	114.4	S519 W556	S519-G522 PolarHBondContact O-N 3Å; G522-W556 VanDerWaalsContact C-NE1 3.25Å; G522-W556 PolarHBondContact O-NE1 3.23Å
523	V	63.8	Low	70.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.137	C	C	.	.			trans	-70.3	-49.2	-168.7	173.9	0	0	0	0	112.2	N521 S554 W556 D577 C578 E581	N521-V523 VanDerWaalsContact C-N 3.26Å; N521-V523 HydrophobicContact CB-CG2 4.25Å; N521-V523 VanDerWaalsContact ND2-CG2 3.28Å; N521-V523 WeakPolarHBondContact ND2-CG2 3.44Å; N521-V523 PolarHBondContact O-N 3.34Å; N521-V523 VanDerWaalsContact OD1-CB 3.27Å; N521-V523 WeakPolarHBondContact OD1-CB 3.43Å; N521-V523 VanDerWaalsContact OD1-CG2 3.27Å; N521-V523 WeakPolarHBondContact OD1-CG2 3.27Å; N521-V523 PolarHBondContact OD1-N 2.81Å; N521-V523 VanDerWaalsContact OD1-N 3.16Å; V523-S554 WeakPolarHBondContact CG1-OG 3.13Å; V523-S554 VanDerWaalsContact O-CA 3.3Å; V523-S554 WeakPolarHBondContact O-CA 3.31Å; V523-S554 PolarHBondContact O-OG 2.99Å; V523-W556 HydrophobicContact CB-CD2 4.33Å; V523-W556 HydrophobicContact CG2-CD2 3.59Å; V523-W556 HydrophobicContact CG2-CE3 3.64Å; V523-W556 HydrophobicContact CG2-CG 4.21Å; V523-W556 HydrophobicContact CG2-CH2 4.25Å; V523-W556 HydrophobicContact CG2-CZ2 4.12Å; V523-W556 HydrophobicContact CG2-CZ3 3.96Å; V523-D577 HydrophobicContact CB-CB 4.31Å; V523-C578 WeakPolarHBondContact CG2-SG 3.3Å; V523-E581 HydrophobicContact CG1-CB 4.25Å; V523-E581 HydrophobicContact CG1-CG 4.48Å
524	Y	71.6	Confident	69.4	Low	15 Å²	15	23.8 Å²	23.8	6%	0.059	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.1	-177.5	-67.2	-65	0	0	0	111.6	V518 S519 L553 D577 E581	V518-Y524 CarbonylContact C-O 3.53Å; V518-Y524 WeakPolarHBondContact CA-O 3.23Å; S519-Y524 PolarHBondContact N-O 3.02Å; S519-Y524 PolarHBondContact OG-N 3.01Å; Y524-L553 CarbonylContact C-O 3.51Å; Y524-L553 VanDerWaalsContact CA-O 3.28Å; Y524-L553 WeakPolarHBondContact CA-O 2.92Å; Y524-D577 HydrophobicContact CD2-CB 3.64Å; Y524-D577 HydrophobicContact CE2-CB 3.67Å; Y524-D577 WeakPolarHBondContact CE2-O 3.49Å; Y524-E581 WeakPolarHBondContact CE1-OE2 3.26Å; Y524-E581 VanDerWaalsContact CZ-OE2 3.29Å; Y524-E581 VanDerWaalsContact OH-CA 3.24Å; Y524-E581 WeakPolarHBondContact OH-CA 3.06Å; Y524-E581 WeakPolarHBondContact OH-CB 2.99Å; Y524-E581 PolarHBondContact OH-N 3.17Å; Y524-E581 VanDerWaalsContact OH-N 3.08Å; Y524-E581 PolarHBondContact OH-OE2 3.1Å
525	I	70.8	Confident	68	Low	8 Å²	8	25.9 Å²	25.9	4%	0.041	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.5	167.1	-56.4	-164.1	0	0	0	107.9	L471 L479 L516 S517 V518 F552 L553 F555	L471-I525 HydrophobicContact CD1-CD1 3.75Å; L471-I525 HydrophobicContact CD2-CD1 3.7Å; L471-I525 HydrophobicContact CG-CD1 4.36Å; L479-I525 HydrophobicContact CD1-CG2 4.3Å; L479-I525 HydrophobicContact CD2-CG2 4.34Å; L516-I525 HydrophobicContact CD1-CG2 3.27Å; S517-I525 CarbonylContact O-C 3.58Å; S517-I525 WeakPolarHBondContact O-CA 3.38Å; V518-I525 HydrophobicContact CG2-CG1 4.26Å; I525-F552 WeakPolarHBondContact O-CA 3.23Å; I525-L553 PolarHBondContact N-O 3.24Å; I525-L553 PolarHBondContact O-N 2.77Å; I525-F555 HydrophobicContact CB-CD2 4.26Å; I525-F555 HydrophobicContact CB-CE2 3.93Å; I525-F555 HydrophobicContact CD1-CD2 3.46Å; I525-F555 VanDerWaalsContact CD1-CD2 3.46Å; I525-F555 HydrophobicContact CD1-CE2 3.63Å; I525-F555 HydrophobicContact CG1-CD2 3.78Å; I525-F555 HydrophobicContact CG1-CE2 3.93Å
526	C	75	Confident	66.6	Low	8 Å²	8	29.1 Å²	29.1	5%	0.054	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.9	179	-176.3	0	0	0	0	111.3	L516 S517 V550 H551 F552	L516-C526 CarbonylContact C-O 3.54Å; L516-C526 WeakPolarHBondContact CA-O 3.36Å; S517-C526 PolarHBondContact N-O 3.15Å; S517-C526 PolarHBondContact O-N 3.49Å; C526-V550 WeakPolarHBondContact SG-CG1 3.1Å; C526-H551 WeakPolarHBondContact CA-O 3.39Å; C526-H551 PolarHBondContact SG-O 2.85Å; C526-F552 HydrophobicContact CB-CD1 3.91Å; C526-F552 HydrophobicContact CB-CE1 3.9Å; C526-F552 VanDerWaalsContact SG-CE1 3.54Å
527	F	75.4	Confident	64.6	Low	5 Å²	5	31.2 Å²	31.2	2%	0.022	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.8	176.7	64.6	-82.1	0	0	0	110.4	T473 F513 G515 E529 H551 L553	T473-F527 HydrophobicContact CG2-CB 4.16Å; T473-F527 HydrophobicContact CG2-CG 4.33Å; F513-F527 HydrophobicContact CB-CD2 3.84Å; F513-F527 HydrophobicContact CB-CE2 4.16Å; F513-F527 HydrophobicContact CD1-CD2 4.01Å; F513-F527 AromaticContact CD1-CE2 3.54Å; F513-F527 HydrophobicContact CD1-CE2 3.54Å; F513-F527 HydrophobicContact CD2-CD2 4.3Å; F513-F527 AromaticContact CD2-CE2 3.85Å; F513-F527 HydrophobicContact CD2-CE2 3.85Å; F513-F527 HydrophobicContact CD2-CZ 4.46Å; F513-F527 AromaticContact CE1-CE2 3.83Å; F513-F527 HydrophobicContact CE1-CE2 3.83Å; F513-F527 HydrophobicContact CE2-CE2 4.11Å; F513-F527 HydrophobicContact CE2-CZ 4.43Å; F513-F527 AromaticContact CG-CD2 3.79Å; F513-F527 HydrophobicContact CG-CD2 3.79Å; F513-F527 AromaticContact CG-CE2 3.57Å; F513-F527 HydrophobicContact CG-CE2 3.57Å; F513-F527 HydrophobicContact CZ-CE2 4.11Å; G515-F527 WeakPolarHBondContact O-CB 3.37Å; F527-E529 HydrophobicContact CE2-CB 4.46Å; F527-H551 HydrophobicContact CD1-CB 4.16Å; F527-H551 HydrophobicContact CE1-CB 3.65Å; F527-H551 HydrophobicContact CE2-CB 4.09Å; F527-H551 HydrophobicContact CZ-CB 3.63Å; F527-H551 AromaticContact CZ-CG 3.88Å; F527-H551 PolarHBondContact N-O 3.45Å; F527-H551 PolarHBondContact O-N 2.99Å; F527-L553 HydrophobicContact CE1-CD1 3.45Å; F527-L553 VanDerWaalsContact CE1-CD1 3.45Å; F527-L553 HydrophobicContact CE1-CG 3.93Å; F527-L553 HydrophobicContact CZ-CD1 3.91Å
528	L	78.3	Confident	63.1	Low	8 Å²	8	32 Å²	32	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.7	-179.7	179.6	61.9	0	0	0	109.7	V125 F513 H514 K530 P548 R549 V550	V125-L528 HydrophobicContact CB-CD2 4.28Å; V125-L528 HydrophobicContact CG2-CD2 4.11Å; F513-L528 CarbonylContact C-O 3.51Å; F513-L528 WeakPolarHBondContact CA-O 3.39Å; H514-L528 HydrophobicContact CB-CB 4.22Å; H514-L528 PolarHBondContact N-O 3.01Å; H514-L528 WeakPolarHBondContact O-CB 3.22Å; H514-L528 PolarHBondContact O-N 3.07Å; L528-K530 HydrophobicContact CD2-CD 4.4Å; L528-K530 HydrophobicContact CD2-CG 4.41Å; L528-K530 HydrophobicContact CG-CG 4.05Å; L528-P548 HydrophobicContact CD1-CB 3.83Å; L528-R549 CarbonylContact C-O 3.53Å; L528-R549 WeakPolarHBondContact CA-O 3.38Å; L528-R549 WeakPolarHBondContact CD1-O 3.32Å; L528-V550 HydrophobicContact CD1-CG2 4.26Å
529	E	76.3	Confident	61.7	Low	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.2	168.6	177.3	178.6	-129.1	0	0	109.4	S501 W511 E512 F513 F527 P548 R549 H551	S501-E529 VanDerWaalsContact CA-OE1 3.3Å; S501-E529 WeakPolarHBondContact CA-OE1 3.38Å; S501-E529 WeakPolarHBondContact CB-OE1 3.34Å; S501-E529 PolarHBondContact OG-OE1 3.27Å; S501-E529 PolarHBondContact OG-OE2 3.31Å; W511-E529 HydrophobicContact CB-CG 4.41Å; W511-E529 HydrophobicContact CD2-CG 4.18Å; W511-E529 HydrophobicContact CE3-CG 3.5Å; W511-E529 HydrophobicContact CZ3-CG 4.15Å; E512-E529 WeakPolarHBondContact O-CA 3.35Å; F513-E529 HydrophobicContact CD1-CB 4.16Å; F513-E529 HydrophobicContact CD1-CG 4.19Å; F513-E529 HydrophobicContact CE1-CB 4.21Å; F513-E529 HydrophobicContact CE1-CG 3.92Å; F527-E529 HydrophobicContact CE2-CB 4.46Å; E529-P548 CarbonylContact O-C 3.52Å; E529-P548 VanDerWaalsContact O-CA 3.26Å; E529-P548 WeakPolarHBondContact O-CA 3.49Å; E529-R549 PolarHBondContact N-O 3.46Å; E529-R549 PolarHBondContact O-N 3.18Å; E529-H551 WeakPolarHBondContact CB-CD2 3.42Å; E529-H551 WeakPolarHBondContact CB-NE2 3.39Å; E529-H551 IonicContact OE2-CD2 3.74Å; E529-H551 IonicContact OE2-CE1 3.77Å; E529-H551 PolarHBondContact OE2-CE1 2.8Å; E529-H551 IonicContact OE2-NE2 3.88Å; E529-H551 PolarHBondContact OE2-NE2 3.03Å
530	K	72.4	Confident	60.6	Low	27 Å²	27	43.3 Å²	43.3	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.9	176.1	-63.4	-178.1	-176.8	162.3	0	110.6	R123 W511 E512 L528 P548	R123-K530 PolarHBondContact O-NZ 3.41Å; W511-K530 CarbonylContact C-O 3.51Å; W511-K530 WeakPolarHBondContact CA-O 3.34Å; E512-K530 PolarHBondContact N-O 3.16Å; E512-K530 PolarHBondContact O-N 2.91Å; L528-K530 HydrophobicContact CD2-CD 4.4Å; L528-K530 HydrophobicContact CD2-CG 4.41Å; L528-K530 HydrophobicContact CG-CG 4.05Å; K530-P548 HydrophobicContact CG-CB 3.95Å; K530-P548 HydrophobicContact CG-CG 4.08Å
531	P	68.3	Low	59.8	Low	3 Å²	3	49.2 Å²	49.2	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	136.2	165.5	27.2	-25.7	0	0	0	109.7	I509 W511 Y534 L546	I509-P531 HydrophobicContact CG2-CB 3.79Å; W511-P531 HydrophobicContact CE3-CB 4.16Å; W511-P531 HydrophobicContact CH2-CB 4.24Å; W511-P531 HydrophobicContact CZ3-CB 3.85Å; W511-P531 HydrophobicContact CZ3-CG 4.13Å; P531-Y534 WeakPolarHBondContact O-CB 3.13Å; P531-Y534 PolarHBondContact O-N 2.79Å; P531-L546 HydrophobicContact CG-CB 4.12Å
532	C	64.2	Low	59.2	Low	35 Å²	35	59.6 Å²	59.6	24%	0.236	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	143.9	172	-177.3	0	0	0	0	110.2	H510 E512 Y534	H510-C532 HydrophobicContact CB-CB 4.08Å; H510-C532 WeakPolarHBondContact O-CB 3.26Å; H510-C532 PolarHBondContact O-N 3.48Å; E512-C532 HydrophobicContact CG-CB 4.14Å; C532-Y534 PolarHBondContact O-N 2.98Å; C532-Y534 VanDerWaalsContact O-N 3.17Å
533	N	57.4	Low	58.2	Low	107 Å²	107	61.5 Å²	61.5	57%	0.572	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	30.6	-176.3	-64.6	-25.3	0	0	0	114.8	L535 D536 N537	N533-L535 PolarHBondContact O-N 2.92Å; N533-D536 HydrophobicContact CB-CB 4.47Å; N533-D536 PolarHBondContact O-N 2.75Å; N533-N537 PolarHBondContact O-N 2.81Å; N533-N537 VanDerWaalsContact O-N 3.17Å
534	Y	51.7	Low	57.5	Low	30 Å²	30	64.1 Å²	64.1	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-46.1	-38	175.1	138.2	-89.2	0	0	0	113.6	M145 P531 C532 D536 N537 N538	M145-Y534 HydrophobicContact CE-CE1 3.42Å; M145-Y534 VanDerWaalsContact CE-CE1 3.42Å; M145-Y534 VanDerWaalsContact CE-OH 3.31Å; M145-Y534 WeakPolarHBondContact CE-OH 3.36Å; M145-Y534 HydrophobicContact CG-CE1 4.16Å; M145-Y534 WeakPolarHBondContact CG-OH 3.15Å; M145-Y534 HydrophobicContact SD-CD1 4.36Å; M145-Y534 HydrophobicContact SD-CE1 3.26Å; M145-Y534 WeakPolarHBondContact SD-CE1 3.36Å; M145-Y534 PolarHBondContact SD-OH 2.85Å; P531-Y534 WeakPolarHBondContact O-CB 3.13Å; P531-Y534 PolarHBondContact O-N 2.79Å; C532-Y534 PolarHBondContact O-N 2.98Å; C532-Y534 VanDerWaalsContact O-N 3.17Å; Y534-D536 VanDerWaalsContact C-N 3.33Å; Y534-D536 PolarHBondContact O-N 2.93Å; Y534-N537 PolarHBondContact O-N 3.09Å; Y534-N538 HydrophobicContact CE2-CB 4.32Å; Y534-N538 VanDerWaalsContact CE2-CG 3.44Å; Y534-N538 WeakPolarHBondContact CE2-ND2 3.39Å; Y534-N538 PolarHBondContact O-N 3.42Å; Y534-N538 PolarHBondContact OH-ND2 3.33Å
535	L	49.5	Very low	56.6	Low	81 Å²	81	69.4 Å²	69.4	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-36.9	179	-83.4	173.2	0	0	0	112.7	M145 N533 R539	M145-L535 HydrophobicContact CE-CD2 3.41Å; M145-L535 VanDerWaalsContact CE-CD2 3.41Å; M145-L535 HydrophobicContact CE-CG 4.23Å; N533-L535 PolarHBondContact O-N 2.92Å; L535-R539 WeakPolarHBondContact O-CB 3.31Å; L535-R539 VanDerWaalsContact O-CG 3.26Å; L535-R539 WeakPolarHBondContact O-CG 3.34Å; L535-R539 PolarHBondContact O-N 3.04Å
536	D	45.6	Very low	56.1	Low	92 Å²	92	70.3 Å²	70.3	49%	0.492	35%	0.348	S	S	.	.	H	α-helix	trans	-75.6	-36.3	177.8	-68.6	-24.2	0	0	0	111.1	N533 Y534 R539 T540	N533-D536 HydrophobicContact CB-CB 4.47Å; N533-D536 PolarHBondContact O-N 2.75Å; Y534-D536 VanDerWaalsContact C-N 3.33Å; Y534-D536 PolarHBondContact O-N 2.93Å; D536-R539 PolarHBondContact O-N 3.42Å; D536-T540 PolarHBondContact O-N 3.01Å; D536-T540 PolarHBondContact O-OG1 2.72Å
537	N	40	Very low	55.4	Low	72 Å²	72	72 Å²	72	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-39.8	175.4	-75.2	-30.5	0	0	0	112.5	N533 Y534 R541	N533-N537 PolarHBondContact O-N 2.81Å; N533-N537 VanDerWaalsContact O-N 3.17Å; Y534-N537 PolarHBondContact O-N 3.09Å; N537-R541 PolarHBondContact O-N 2.81Å
538	N	42.3	Very low	55	Low	47 Å²	47	72.8 Å²	72.8	25%	0.251	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-39.7	175.1	-95.3	17.3	0	0	0	112.8	Y534 R542 A544	Y534-N538 HydrophobicContact CE2-CB 4.32Å; Y534-N538 VanDerWaalsContact CE2-CG 3.44Å; Y534-N538 WeakPolarHBondContact CE2-ND2 3.39Å; Y534-N538 PolarHBondContact O-N 3.42Å; Y534-N538 PolarHBondContact OH-ND2 3.33Å; N538-R542 PolarHBondContact O-N 2.81Å; N538-A544 WeakPolarHBondContact OD1-CB 3.48Å
539	R	43.3	Very low	54.5	Low	160 Å²	160	75.6 Å²	75.6	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-74.6	-37.9	-175.7	-76.5	175.9	176.7	-177.9	0.4	113.1	L535 D536	L535-R539 WeakPolarHBondContact O-CB 3.31Å; L535-R539 VanDerWaalsContact O-CG 3.26Å; L535-R539 WeakPolarHBondContact O-CG 3.34Å; L535-R539 PolarHBondContact O-N 3.04Å; D536-R539 PolarHBondContact O-N 3.42Å
540	T	43	Very low	54	Low	109 Å²	109	76.7 Å²	76.7	67%	0.669	38%	0.382	S	S	*	.	H	α-helix	trans	-77.4	-32.7	-176.3	45.7	0	0	0	0	113.3	D536	D536-T540 PolarHBondContact O-N 3.01Å; D536-T540 PolarHBondContact O-OG1 2.72Å
541	R	42.9	Very low	53.7	Low	176 Å²	176	76.4 Å²	76.4	66%	0.664	38%	0.381	S	S	*	.	H	α-helix	trans	-110	-11.1	-170	-68.5	-168.3	176.3	-169.6	-0	116.5	N537 S543	N537-R541 PolarHBondContact O-N 2.81Å; R541-S543 PolarHBondContact O-N 3.22Å; R541-S543 PolarHBondContact O-OG 3.21Å
542	R	47	Very low	53.8	Low	243 Å²	243	80 Å²	80	92%	0.917	40%	0.396	S	S	*	.	S	Bend	trans	50.2	-0.2	-171.2	-72.5	-171.9	178.1	-176.7	0.3	115.7	N538	N538-R542 PolarHBondContact O-N 2.81Å
543	S	44.2	Very low	53.9	Low	64 Å²	64	79.1 Å²	79.1	45%	0.448	39%	0.389	S	S	.	.	S	Bend	trans	-121.1	102.1	169	59.2	0	0	0	0	106.3	R541 L545	R541-S543 PolarHBondContact O-N 3.22Å; R541-S543 PolarHBondContact O-OG 3.21Å; S543-L545 VanDerWaalsContact C-N 3.27Å; S543-L545 PolarHBondContact O-N 3.33Å
544	A	48.6	Very low	54.5	Low	55 Å²	55	75.3 Å²	75.3	46%	0.455	37%	0.371	S	S	.	.			trans	-63.5	94.6	166.9	0	0	0	0	0	107.2	N538 L546	N538-A544 WeakPolarHBondContact OD1-CB 3.48Å; A544-L546 PolarHBondContact O-N 3.38Å
545	L	52.8	Low	55.1	Low	127 Å²	127	76.6 Å²	76.6	67%	0.665	38%	0.377	S	S	*	.	S	Bend	trans	-65.4	-21.2	178.2	-118.8	128.3	0	0	0	110.8	S543	S543-L545 VanDerWaalsContact C-N 3.27Å; S543-L545 PolarHBondContact O-N 3.33Å
546	L	59	Low	56	Low	27 Å²	27	75.4 Å²	75.4	14%	0.141	37%	0.367	C	S	.	.	S	Bend	trans	-141.2	108.4	-173.1	-52.6	168.2	0	0	0	109.8	Y503 I509 W511 P531 A544	Y503-L546 HydrophobicContact CD1-CD2 3.6Å; Y503-L546 HydrophobicContact CD2-CD2 4.28Å; Y503-L546 HydrophobicContact CE1-CD2 3.03Å; Y503-L546 HydrophobicContact CE1-CG 4.49Å; Y503-L546 HydrophobicContact CE2-CD2 3.76Å; Y503-L546 HydrophobicContact CG-CD2 4.19Å; Y503-L546 WeakPolarHBondContact OH-CD2 3.35Å; I509-L546 HydrophobicContact CD1-CD1 2.96Å; I509-L546 HydrophobicContact CD1-CG 4.42Å; I509-L546 HydrophobicContact CG1-CD1 4.39Å; W511-L546 HydrophobicContact CH2-CB 4.36Å; W511-L546 HydrophobicContact CH2-CD1 4.21Å; W511-L546 HydrophobicContact CH2-CD2 4.39Å; W511-L546 HydrophobicContact CZ2-CD1 4.46Å; P531-L546 HydrophobicContact CG-CB 4.12Å; A544-L546 PolarHBondContact O-N 3.38Å
547	S	62.3	Low	57.1	Low	44 Å²	44	73.8 Å²	73.8	31%	0.308	36%	0.363	S	S	.	.			trans	-86.9	151.5	171.8	60.2	0	0	0	0	111
548	P	66.8	Low	58.8	Low	20 Å²	20	71.5 Å²	71.5	13%	0.13	35%	0.351	C	S	.	.			trans	-47.8	140.7	161.5	-29.5	37.8	0	0	0	112	L528 E529 K530	L528-P548 HydrophobicContact CD1-CB 3.83Å; E529-P548 CarbonylContact O-C 3.52Å; E529-P548 VanDerWaalsContact O-CA 3.26Å; E529-P548 WeakPolarHBondContact O-CA 3.49Å; K530-P548 HydrophobicContact CG-CB 3.95Å; K530-P548 HydrophobicContact CG-CG 4.08Å
549	R	66.8	Low	60.3	Low	67 Å²	67	73.8 Å²	73.8	25%	0.253	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141	-179.5	-70.5	-177.3	174.4	179.3	-1.3	111	Y503 L528 E529	Y503-R549 VanDerWaalsContact CZ-CZ 3.49Å; Y503-R549 PolarHBondContact OH-NH2 2.8Å; Y503-R549 VanDerWaalsContact OH-NH2 3.1Å; L528-R549 CarbonylContact C-O 3.53Å; L528-R549 WeakPolarHBondContact CA-O 3.38Å; L528-R549 WeakPolarHBondContact CD1-O 3.32Å; E529-R549 PolarHBondContact N-O 3.46Å; E529-R549 PolarHBondContact O-N 3.18Å
550	V	65.6	Low	61.9	Low	25 Å²	25	68.3 Å²	68.3	15%	0.152	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.8	170.4	-179.2	0	0	0	0	107.6	D114 W127 C526 L528 F552	D114-V550 HydrophobicContact CB-CB 4.43Å; D114-V550 WeakPolarHBondContact CB-O 3.1Å; W127-V550 HydrophobicContact CZ2-CG1 4.04Å; C526-V550 WeakPolarHBondContact SG-CG1 3.1Å; L528-V550 HydrophobicContact CD1-CG2 4.26Å; V550-F552 HydrophobicContact CB-CE2 4.46Å; V550-F552 HydrophobicContact CG1-CD2 4.34Å; V550-F552 HydrophobicContact CG1-CE2 3.63Å; V550-F552 HydrophobicContact CG1-CZ 3.91Å
551	H	67	Low	63.6	Low	20 Å²	20	63.1 Å²	63.1	9%	0.093	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	144.1	174.8	-74.3	-98.1	0	0	0	110.4	C526 F527 E529	C526-H551 WeakPolarHBondContact CA-O 3.39Å; C526-H551 PolarHBondContact SG-O 2.85Å; F527-H551 HydrophobicContact CD1-CB 4.16Å; F527-H551 HydrophobicContact CE1-CB 3.65Å; F527-H551 HydrophobicContact CE2-CB 4.09Å; F527-H551 HydrophobicContact CZ-CB 3.63Å; F527-H551 AromaticContact CZ-CG 3.88Å; F527-H551 PolarHBondContact N-O 3.45Å; F527-H551 PolarHBondContact O-N 2.99Å; E529-H551 WeakPolarHBondContact CB-CD2 3.42Å; E529-H551 WeakPolarHBondContact CB-NE2 3.39Å; E529-H551 IonicContact OE2-CD2 3.74Å; E529-H551 IonicContact OE2-CE1 3.77Å; E529-H551 PolarHBondContact OE2-CE1 2.8Å; E529-H551 IonicContact OE2-NE2 3.88Å; E529-H551 PolarHBondContact OE2-NE2 3.03Å
552	F	69.1	Low	65.5	Low	80 Å²	80	55.8 Å²	55.8	35%	0.351	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	115.2	164.6	-64.1	-92.1	0	0	0	107.3	D114 W127 I525 C526 V550	D114-F552 VanDerWaalsContact CG-CE2 3.48Å; D114-F552 VanDerWaalsContact OD1-CE2 3.22Å; D114-F552 WeakPolarHBondContact OD1-CE2 3.29Å; D114-F552 VanDerWaalsContact OD2-CD2 3.23Å; D114-F552 WeakPolarHBondContact OD2-CD2 3.17Å; W127-F552 HydrophobicContact CH2-CE1 4.24Å; W127-F552 AromaticContact CH2-CZ 3.76Å; W127-F552 HydrophobicContact CH2-CZ 3.76Å; W127-F552 HydrophobicContact CZ2-CE1 4.43Å; W127-F552 AromaticContact CZ2-CZ 3.97Å; W127-F552 HydrophobicContact CZ2-CZ 3.97Å; I525-F552 WeakPolarHBondContact O-CA 3.23Å; C526-F552 HydrophobicContact CB-CD1 3.91Å; C526-F552 HydrophobicContact CB-CE1 3.9Å; C526-F552 VanDerWaalsContact SG-CE1 3.54Å; V550-F552 HydrophobicContact CB-CE2 4.46Å; V550-F552 HydrophobicContact CG1-CD2 4.34Å; V550-F552 HydrophobicContact CG1-CE2 3.63Å; V550-F552 HydrophobicContact CG1-CZ 3.91Å
553	L	67.6	Low	67.2	Low	16 Å²	16	50.9 Å²	50.9	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.7	-178.9	-59.9	-175.8	0	0	0	109.5	L479 W498 Y524 I525 F527 F555	L479-L553 HydrophobicContact CD2-CD1 4.42Å; W498-L553 HydrophobicContact CB-CD1 4.44Å; W498-L553 HydrophobicContact CD2-CD1 3.49Å; W498-L553 VanDerWaalsContact CD2-CD1 3.49Å; W498-L553 HydrophobicContact CE3-CD1 3.25Å; W498-L553 HydrophobicContact CE3-CD2 3.95Å; W498-L553 HydrophobicContact CE3-CG 4.22Å; W498-L553 HydrophobicContact CG-CD1 4.07Å; W498-L553 HydrophobicContact CH2-CD1 4.13Å; W498-L553 HydrophobicContact CH2-CD2 3.39Å; W498-L553 HydrophobicContact CH2-CG 4.43Å; W498-L553 HydrophobicContact CZ2-CD1 4.37Å; W498-L553 HydrophobicContact CZ2-CD2 4.1Å; W498-L553 HydrophobicContact CZ3-CD1 3.58Å; W498-L553 HydrophobicContact CZ3-CD2 3.31Å; W498-L553 HydrophobicContact CZ3-CG 4.06Å; Y524-L553 CarbonylContact C-O 3.51Å; Y524-L553 VanDerWaalsContact CA-O 3.28Å; Y524-L553 WeakPolarHBondContact CA-O 2.92Å; I525-L553 PolarHBondContact N-O 3.24Å; I525-L553 PolarHBondContact O-N 2.77Å; F527-L553 HydrophobicContact CE1-CD1 3.45Å; F527-L553 VanDerWaalsContact CE1-CD1 3.45Å; F527-L553 HydrophobicContact CE1-CG 3.93Å; F527-L553 HydrophobicContact CZ-CD1 3.91Å; L553-F555 HydrophobicContact CB-CD2 4.34Å; L553-F555 HydrophobicContact CB-CE1 4.28Å; L553-F555 HydrophobicContact CB-CE2 3.56Å; L553-F555 HydrophobicContact CB-CZ 3.55Å; L553-F555 HydrophobicContact CD1-CE1 4.15Å; L553-F555 HydrophobicContact CD1-CE2 3.97Å; L553-F555 HydrophobicContact CD1-CZ 3.31Å; L553-F555 HydrophobicContact CG-CE2 4.45Å; L553-F555 HydrophobicContact CG-CZ 4.1Å
554	S	69.2	Low	68.9	Low	27 Å²	27	49 Å²	49	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	165.4	-173.5	0	0	0	0	110	V523 E581	V523-S554 WeakPolarHBondContact CG1-OG 3.13Å; V523-S554 VanDerWaalsContact O-CA 3.3Å; V523-S554 WeakPolarHBondContact O-CA 3.31Å; V523-S554 PolarHBondContact O-OG 2.99Å; S554-E581 VanDerWaalsContact CB-OE1 3.25Å; S554-E581 WeakPolarHBondContact CB-OE1 3.31Å; S554-E581 WeakPolarHBondContact CB-OE2 3.49Å
555	F	64.5	Low	70.6	Confident	57 Å²	57	46.5 Å²	46.5	25%	0.25	24%	0.242	C	C	.	.			trans	-107.2	12.9	177.8	-61.6	-68.6	0	0	0	113.2	L479 V497 W498 I525 L553	L479-F555 HydrophobicContact CD2-CE2 3.4Å; L479-F555 HydrophobicContact CD2-CZ 3.38Å; V497-F555 HydrophobicContact CG1-CD1 3.39Å; V497-F555 HydrophobicContact CG1-CD2 3.9Å; V497-F555 HydrophobicContact CG1-CE1 3.19Å; V497-F555 HydrophobicContact CG1-CE2 3.7Å; V497-F555 HydrophobicContact CG1-CG 3.72Å; V497-F555 HydrophobicContact CG1-CZ 3.31Å; W498-F555 HydrophobicContact CB-CZ 4.47Å; W498-F555 HydrophobicContact CE3-CE1 4.09Å; W498-F555 HydrophobicContact CE3-CZ 4.25Å; I525-F555 HydrophobicContact CB-CD2 4.26Å; I525-F555 HydrophobicContact CB-CE2 3.93Å; I525-F555 HydrophobicContact CD1-CD2 3.46Å; I525-F555 VanDerWaalsContact CD1-CD2 3.46Å; I525-F555 HydrophobicContact CD1-CE2 3.63Å; I525-F555 HydrophobicContact CG1-CD2 3.78Å; I525-F555 HydrophobicContact CG1-CE2 3.93Å; L553-F555 HydrophobicContact CB-CD2 4.34Å; L553-F555 HydrophobicContact CB-CE1 4.28Å; L553-F555 HydrophobicContact CB-CE2 3.56Å; L553-F555 HydrophobicContact CB-CZ 3.55Å; L553-F555 HydrophobicContact CD1-CE1 4.15Å; L553-F555 HydrophobicContact CD1-CE2 3.97Å; L553-F555 HydrophobicContact CD1-CZ 3.31Å; L553-F555 HydrophobicContact CG-CE2 4.45Å; L553-F555 HydrophobicContact CG-CZ 4.1Å
556	W	68.1	Low	72.2	Confident	55 Å²	55	42 Å²	42	21%	0.208	22%	0.217	C	C	.	.			trans	-76.9	135.7	-174.8	-82.2	36.9	0	0	0	110.6	N521 G522 V523 S560 L561 I564 R585	N521-W556 VanDerWaalsContact O-CH2 3.32Å; N521-W556 WeakPolarHBondContact O-CH2 3.4Å; N521-W556 WeakPolarHBondContact O-CZ2 3.43Å; G522-W556 VanDerWaalsContact C-NE1 3.25Å; G522-W556 PolarHBondContact O-NE1 3.23Å; V523-W556 HydrophobicContact CB-CD2 4.33Å; V523-W556 HydrophobicContact CG2-CD2 3.59Å; V523-W556 HydrophobicContact CG2-CE3 3.64Å; V523-W556 HydrophobicContact CG2-CG 4.21Å; V523-W556 HydrophobicContact CG2-CH2 4.25Å; V523-W556 HydrophobicContact CG2-CZ2 4.12Å; V523-W556 HydrophobicContact CG2-CZ3 3.96Å; W556-S560 VanDerWaalsContact CE3-C 3.46Å; W556-S560 WeakPolarHBondContact CZ3-O 3.38Å; W556-L561 HydrophobicContact CE3-CB 4.46Å; W556-I564 HydrophobicContact CH2-CD1 3.13Å; W556-I564 HydrophobicContact CH2-CG1 3.72Å; W556-I564 HydrophobicContact CZ2-CD1 4.2Å; W556-I564 HydrophobicContact CZ3-CB 4.14Å; W556-I564 HydrophobicContact CZ3-CD1 3.44Å; W556-I564 VanDerWaalsContact CZ3-CD1 3.44Å; W556-I564 HydrophobicContact CZ3-CG1 3.62Å; W556-R585 VanDerWaalsContact O-CZ 3.27Å; W556-R585 PolarHBondContact O-NH1 2.78Å; W556-R585 PolarHBondContact O-NH2 3.3Å
557	S	69.7	Low	73.3	Confident	58 Å²	58	42.9 Å²	42.9	41%	0.406	22%	0.222	S	C	.	.			trans	-65.4	161	164.9	66.4	0	0	0	0	109.6	D559 S560 L561	S557-D559 PolarHBondContact O-N 3.26Å; S557-S560 PolarHBondContact O-N 2.81Å; S557-S560 PolarHBondContact OG-N 2.95Å; S557-S560 PolarHBondContact OG-OG 2.81Å; S557-L561 WeakPolarHBondContact O-CB 3.44Å; S557-L561 PolarHBondContact O-N 2.83Å; S557-L561 VanDerWaalsContact O-N 3.09Å
558	N	74.6	Confident	74	Confident	24 Å²	24	44.5 Å²	44.5	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-36.9	174.1	-71.5	2.6	0	0	0	111.1	L561 Q562 R585 I600 T601 L603	N558-L561 PolarHBondContact O-N 2.82Å; N558-Q562 VanDerWaalsContact O-CD 3.26Å; N558-Q562 WeakPolarHBondContact O-CG 3.33Å; N558-Q562 PolarHBondContact O-N 3.13Å; N558-Q562 PolarHBondContact O-NE2 2.91Å; N558-R585 PolarHBondContact OD1-NH1 3.18Å; N558-I600 VanDerWaalsContact ND2-CG2 3.28Å; N558-I600 WeakPolarHBondContact ND2-CG2 3.35Å; N558-T601 PolarHBondContact ND2-O 2.8Å; N558-L603 HydrophobicContact CB-CD1 4.03Å; N558-L603 HydrophobicContact CB-CD2 4.28Å; N558-L603 HydrophobicContact CB-CG 3.78Å; N558-L603 VanDerWaalsContact CG-CG 3.45Å; N558-L603 WeakPolarHBondContact OD1-CD1 3.44Å
559	D	74.4	Confident	74.5	Confident	95 Å²	95	51.3 Å²	51.3	51%	0.508	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-49.5	179.3	-58.7	-25.1	0	0	0	112.3	S557 L561 Q562 E563 T601	S557-D559 PolarHBondContact O-N 3.26Å; D559-L561 VanDerWaalsContact C-N 3.29Å; D559-L561 PolarHBondContact O-N 3.43Å; D559-Q562 PolarHBondContact O-N 2.81Å; D559-E563 PolarHBondContact O-N 2.9Å; D559-T601 PolarHBondContact OD1-OG1 2.77Å
560	S	76	Confident	74.6	Confident	45 Å²	45	49.9 Å²	49.9	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-40.7	177.2	-60	0	0	0	0	111.2	W556 S557 Q562 E563 I564	W556-S560 VanDerWaalsContact CE3-C 3.46Å; W556-S560 WeakPolarHBondContact CZ3-O 3.38Å; S557-S560 PolarHBondContact O-N 2.81Å; S557-S560 PolarHBondContact OG-N 2.95Å; S557-S560 PolarHBondContact OG-OG 2.81Å; S560-Q562 VanDerWaalsContact C-N 3.33Å; S560-Q562 PolarHBondContact O-N 3.43Å; S560-E563 PolarHBondContact O-N 3.36Å; S560-I564 PolarHBondContact O-N 2.87Å
561	L	78.9	Confident	74.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-45.7	177.7	-173.3	68	0	0	0	111.5	W556 S557 N558 D559 I564 I565 C578 E581 L603	W556-L561 HydrophobicContact CE3-CB 4.46Å; S557-L561 WeakPolarHBondContact O-CB 3.44Å; S557-L561 PolarHBondContact O-N 2.83Å; S557-L561 VanDerWaalsContact O-N 3.09Å; N558-L561 PolarHBondContact O-N 2.82Å; D559-L561 VanDerWaalsContact C-N 3.29Å; D559-L561 PolarHBondContact O-N 3.43Å; L561-I564 PolarHBondContact O-N 2.66Å; L561-I565 HydrophobicContact CD1-CD1 4.19Å; L561-I565 HydrophobicContact CD2-CD1 4.38Å; L561-I565 HydrophobicContact CG-CD1 3.81Å; L561-I565 VanDerWaalsContact O-CG1 3.26Å; L561-I565 WeakPolarHBondContact O-CG1 3.49Å; L561-I565 PolarHBondContact O-N 2.85Å; L561-C578 HydrophobicContact CD1-CB 3.61Å; L561-E581 HydrophobicContact CD1-CB 4Å; L561-E581 HydrophobicContact CD1-CG 4.15Å; L561-E581 HydrophobicContact CD2-CB 4.41Å; L561-E581 HydrophobicContact CD2-CG 4.11Å; L561-L603 HydrophobicContact CD2-CD1 3.99Å; L561-L603 HydrophobicContact CD2-CD2 3.94Å
562	Q	83.1	Confident	74.8	Confident	23 Å²	23	52.8 Å²	52.8	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-67.5	-38.1	179.3	-69.1	160.1	19.3	0	0	112.7	N558 D559 S560 I564 I565 F566 L603 I606	N558-Q562 VanDerWaalsContact O-CD 3.26Å; N558-Q562 WeakPolarHBondContact O-CG 3.33Å; N558-Q562 PolarHBondContact O-N 3.13Å; N558-Q562 PolarHBondContact O-NE2 2.91Å; D559-Q562 PolarHBondContact O-N 2.81Å; S560-Q562 VanDerWaalsContact C-N 3.33Å; S560-Q562 PolarHBondContact O-N 3.43Å; Q562-I564 VanDerWaalsContact C-N 3.3Å; Q562-I564 PolarHBondContact O-N 3.14Å; Q562-I565 PolarHBondContact O-N 2.83Å; Q562-F566 HydrophobicContact CB-CD2 4.26Å; Q562-F566 WeakPolarHBondContact O-CD2 3.35Å; Q562-F566 PolarHBondContact O-N 2.78Å; Q562-L603 HydrophobicContact CG-CD2 3.86Å; Q562-I606 HydrophobicContact CG-CG2 4.17Å
563	E	82	Confident	74.5	Confident	140 Å²	140	52.8 Å²	52.8	65%	0.654	28%	0.28	S	S	*	.	H	α-helix	trans	-54.7	-48.3	177.3	-169.4	-178	173.2	0	0	110.4	D559 S560 N567	D559-E563 PolarHBondContact O-N 2.9Å; S560-E563 PolarHBondContact O-N 3.36Å; E563-N567 WeakPolarHBondContact O-CB 3.26Å; E563-N567 PolarHBondContact O-N 2.93Å
564	I	80.5	Confident	74.3	Confident	25 Å²	25	58.6 Å²	58.6	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-71.1	-45.2	177.4	-70.2	-161.8	0	0	0	112.9	N521 W556 S560 L561 Q562 F566 N567 L570 K575 C578	N521-I564 HydrophobicContact CB-CD1 3.8Å; W556-I564 HydrophobicContact CH2-CD1 3.13Å; W556-I564 HydrophobicContact CH2-CG1 3.72Å; W556-I564 HydrophobicContact CZ2-CD1 4.2Å; W556-I564 HydrophobicContact CZ3-CB 4.14Å; W556-I564 HydrophobicContact CZ3-CD1 3.44Å; W556-I564 VanDerWaalsContact CZ3-CD1 3.44Å; W556-I564 HydrophobicContact CZ3-CG1 3.62Å; S560-I564 PolarHBondContact O-N 2.87Å; L561-I564 PolarHBondContact O-N 2.66Å; Q562-I564 VanDerWaalsContact C-N 3.3Å; Q562-I564 PolarHBondContact O-N 3.14Å; I564-F566 VanDerWaalsContact C-N 3.28Å; I564-F566 PolarHBondContact O-N 2.79Å; I564-N567 PolarHBondContact O-N 3.13Å; I564-L570 HydrophobicContact CB-CD1 4.41Å; I564-L570 HydrophobicContact CG1-CD1 4.3Å; I564-L570 HydrophobicContact CG2-CD1 3.84Å; I564-K575 HydrophobicContact CG2-CG 4.34Å; I564-K575 VanDerWaalsContact O-CE 3.3Å; I564-K575 WeakPolarHBondContact O-CE 3.31Å; I564-C578 HydrophobicContact CG2-CB 4.41Å; I564-C578 WeakPolarHBondContact CG2-SG 3.41Å
565	I	83.7	Confident	74.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-58	-46.2	-177.8	-69.9	173.5	0	0	0	109.4	L561 Q562 K575 C578 L579 L582 I637	L561-I565 HydrophobicContact CD1-CD1 4.19Å; L561-I565 HydrophobicContact CD2-CD1 4.38Å; L561-I565 HydrophobicContact CG-CD1 3.81Å; L561-I565 VanDerWaalsContact O-CG1 3.26Å; L561-I565 WeakPolarHBondContact O-CG1 3.49Å; L561-I565 PolarHBondContact O-N 2.85Å; Q562-I565 PolarHBondContact O-N 2.83Å; I565-K575 PolarHBondContact O-NZ 3.33Å; I565-C578 HydrophobicContact CD1-CB 3.96Å; I565-C578 HydrophobicContact CG1-CB 3.46Å; I565-C578 VanDerWaalsContact CG1-CB 3.46Å; I565-L579 HydrophobicContact CG1-CD2 4.46Å; I565-L579 HydrophobicContact CG2-CD2 4.19Å; I565-L582 HydrophobicContact CD1-CB 4.02Å; I565-L582 HydrophobicContact CD1-CD2 4Å; I565-L582 HydrophobicContact CD1-CG 4.48Å; I565-I637 HydrophobicContact CG2-CG2 3.79Å; I565-I637 WeakPolarHBondContact O-CD1 3.26Å
566	F	86.7	Confident	74.6	Confident	34 Å²	34	57.6 Å²	57.6	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-93	-2.4	-175.5	-62.8	-72	0	0	0	114.7	Q562 I564 P568 K610 I637 Y638 I641	Q562-F566 HydrophobicContact CB-CD2 4.26Å; Q562-F566 WeakPolarHBondContact O-CD2 3.35Å; Q562-F566 PolarHBondContact O-N 2.78Å; I564-F566 VanDerWaalsContact C-N 3.28Å; I564-F566 PolarHBondContact O-N 2.79Å; F566-P568 VanDerWaalsContact O-CD 3.3Å; F566-P568 WeakPolarHBondContact O-CD 3.44Å; F566-K610 HydrophobicContact CD1-CB 4.24Å; F566-K610 HydrophobicContact CD1-CD 4.47Å; F566-K610 HydrophobicContact CD1-CG 4.28Å; F566-K610 HydrophobicContact CD2-CD 4.43Å; F566-K610 HydrophobicContact CD2-CG 4.08Å; F566-K610 HydrophobicContact CE1-CB 3.69Å; F566-K610 HydrophobicContact CE1-CG 4.04Å; F566-K610 HydrophobicContact CE2-CB 4.26Å; F566-K610 HydrophobicContact CE2-CG 3.83Å; F566-K610 HydrophobicContact CG-CD 4.34Å; F566-K610 HydrophobicContact CG-CG 4.3Å; F566-K610 HydrophobicContact CZ-CB 3.7Å; F566-K610 HydrophobicContact CZ-CG 3.81Å; F566-I637 HydrophobicContact CE1-CG2 4.12Å; F566-Y638 HydrophobicContact CE1-CE1 4.33Å; F566-I641 HydrophobicContact CE1-CD1 4.12Å; F566-I641 HydrophobicContact CZ-CD1 3.97Å
567	N	83.3	Confident	74.6	Confident	44 Å²	44	56.8 Å²	56.8	24%	0.235	30%	0.297	C	S	.	.			trans	-63	114.4	174.9	-178.9	-27.7	0	0	0	111.5	E563 I564 E569 L570 K575	E563-N567 WeakPolarHBondContact O-CB 3.26Å; E563-N567 PolarHBondContact O-N 2.93Å; I564-N567 PolarHBondContact O-N 3.13Å; N567-E569 VanDerWaalsContact C-N 3.27Å; N567-E569 PolarHBondContact O-N 3.24Å; N567-E569 VanDerWaalsContact OD1-CB 3.26Å; N567-E569 WeakPolarHBondContact OD1-CB 3.36Å; N567-E569 PolarHBondContact OD1-N 3.34Å; N567-L570 HydrophobicContact CB-CD1 4.18Å; N567-L570 HydrophobicContact CB-CG 4.43Å; N567-K575 VanDerWaalsContact O-CE 3.28Å; N567-K575 WeakPolarHBondContact O-CE 3.39Å; N567-K575 PolarHBondContact O-NZ 2.88Å
568	P	76.9	Confident	74.9	Confident	79 Å²	79	54 Å²	54	51%	0.513	28%	0.278	S	S	.	.	S	Bend	trans	-70	-20.2	-175.5	28.9	-34.8	0	0	0	114.2	F566	F566-P568 VanDerWaalsContact O-CD 3.3Å; F566-P568 WeakPolarHBondContact O-CD 3.44Å
569	E	76.3	Confident	75.2	Confident	162 Å²	162	53.6 Å²	53.6	76%	0.757	28%	0.276	S	S	*	.	S	Bend	trans	-75.1	-38.6	-175.8	-55	-174.9	163.9	0	0	111.4	N567 K633	N567-E569 VanDerWaalsContact C-N 3.27Å; N567-E569 PolarHBondContact O-N 3.24Å; N567-E569 VanDerWaalsContact OD1-CB 3.26Å; N567-E569 WeakPolarHBondContact OD1-CB 3.36Å; N567-E569 PolarHBondContact OD1-N 3.34Å; E569-K633 PolarHBondContact O-NZ 2.82Å
570	L	69.1	Low	75.2	Confident	38 Å²	38	51.7 Å²	51.7	20%	0.199	26%	0.264	C	S	.	.	S	Bend	trans	-67.7	137.1	-177.4	-68.4	174.3	0	0	0	112.2	I564 N567	I564-L570 HydrophobicContact CB-CD1 4.41Å; I564-L570 HydrophobicContact CG1-CD1 4.3Å; I564-L570 HydrophobicContact CG2-CD1 3.84Å; N567-L570 HydrophobicContact CB-CD1 4.18Å; N567-L570 HydrophobicContact CB-CG 4.43Å
571	P	69.9	Low	75	Confident	46 Å²	46	50.2 Å²	50.2	30%	0.299	25%	0.252	S	S	.	.			trans	-71.2	154.5	172.3	32.5	-36.4	0	0	0	111.5	N573 R574	P571-N573 VanDerWaalsContact C-N 3.29Å; P571-N573 VanDerWaalsContact CB-OD1 3.25Å; P571-N573 WeakPolarHBondContact CB-OD1 3.42Å; P571-N573 WeakPolarHBondContact CG-OD1 3.35Å; P571-N573 PolarHBondContact O-N 3.47Å; P571-R574 HydrophobicContact CG-CB 4.16Å; P571-R574 HydrophobicContact CG-CG 3.89Å; P571-R574 PolarHBondContact O-N 2.89Å; P571-R574 VanDerWaalsContact O-N 3.08Å
572	L	67.3	Low	75.1	Confident	60 Å²	60	50.2 Å²	50.2	31%	0.314	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.5	-35.8	-175.6	-75.8	168.9	0	0	0	113.3	R574 K575 V576 K633 Q636 I637	L572-R574 VanDerWaalsContact C-N 3.25Å; L572-R574 PolarHBondContact O-N 2.85Å; L572-K575 WeakPolarHBondContact O-CB 3.1Å; L572-K575 PolarHBondContact O-N 3.25Å; L572-V576 PolarHBondContact O-N 2.93Å; L572-K633 HydrophobicContact CG-CB 4.33Å; L572-K633 HydrophobicContact CG-CG 4.46Å; L572-Q636 HydrophobicContact CD1-CB 3.83Å; L572-Q636 HydrophobicContact CD1-CG 4.01Å; L572-Q636 HydrophobicContact CD2-CB 4.32Å; L572-I637 HydrophobicContact CD2-CD1 4.26Å; L572-I637 HydrophobicContact CD2-CG1 3.88Å
573	N	63.6	Low	75	Confident	79 Å²	79	49.9 Å²	49.9	42%	0.422	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61.4	-32.1	177.3	63	-22.1	0	0	0	112.6	E136 P571 K575 V576	E136-N573 PolarHBondContact OE2-ND2 2.76Å; P571-N573 VanDerWaalsContact C-N 3.29Å; P571-N573 VanDerWaalsContact CB-OD1 3.25Å; P571-N573 WeakPolarHBondContact CB-OD1 3.42Å; P571-N573 WeakPolarHBondContact CG-OD1 3.35Å; P571-N573 PolarHBondContact O-N 3.47Å; N573-K575 PolarHBondContact O-N 3.46Å; N573-V576 WeakPolarHBondContact O-CG2 3.36Å
574	R	62.9	Low	74.5	Confident	139 Å²	139	47.6 Å²	47.6	53%	0.525	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-76.3	-8.9	174.1	-72.5	-168.3	-178.7	-169.8	-0.3	114.2	P571 L572	P571-R574 HydrophobicContact CG-CB 4.16Å; P571-R574 HydrophobicContact CG-CG 3.89Å; P571-R574 PolarHBondContact O-N 2.89Å; P571-R574 VanDerWaalsContact O-N 3.08Å; L572-R574 VanDerWaalsContact C-N 3.25Å; L572-R574 PolarHBondContact O-N 2.85Å
575	K	70.1	Confident	74.3	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-98.9	-7.1	179	-58.9	-176.4	177.2	-163.1	0	113.1	I564 I565 N567 L572 N573 D577 C578 L579 I637	I564-K575 HydrophobicContact CG2-CG 4.34Å; I564-K575 VanDerWaalsContact O-CE 3.3Å; I564-K575 WeakPolarHBondContact O-CE 3.31Å; I565-K575 PolarHBondContact O-NZ 3.33Å; N567-K575 VanDerWaalsContact O-CE 3.28Å; N567-K575 WeakPolarHBondContact O-CE 3.39Å; N567-K575 PolarHBondContact O-NZ 2.88Å; L572-K575 WeakPolarHBondContact O-CB 3.1Å; L572-K575 PolarHBondContact O-N 3.25Å; N573-K575 PolarHBondContact O-N 3.46Å; K575-D577 VanDerWaalsContact C-N 3.34Å; K575-D577 PolarHBondContact O-N 2.85Å; K575-C578 WeakPolarHBondContact O-CB 3.25Å; K575-C578 PolarHBondContact O-N 3.4Å; K575-L579 HydrophobicContact CB-CD1 4.41Å; K575-L579 HydrophobicContact CB-CG 4.41Å; K575-L579 WeakPolarHBondContact O-CG 3.01Å; K575-L579 PolarHBondContact O-N 2.9Å; K575-I637 HydrophobicContact CD-CD1 3.84Å
576	V	70.5	Confident	73.9	Confident	62 Å²	62	50.3 Å²	50.3	38%	0.376	25%	0.249	S	C	.	.	H	α-helix	trans	-54.6	-47.9	-171.9	173.5	0	0	0	0	112	L572 N573 C578 L579 Q580	L572-V576 PolarHBondContact O-N 2.93Å; N573-V576 WeakPolarHBondContact O-CG2 3.36Å; V576-C578 VanDerWaalsContact C-N 3.33Å; V576-C578 PolarHBondContact O-N 3.11Å; V576-L579 PolarHBondContact O-N 2.86Å; V576-Q580 PolarHBondContact O-N 2.77Å
577	D	67.1	Low	73	Confident	37 Å²	37	52 Å²	52	20%	0.198	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-40	179.4	-64.2	-18.1	0	0	0	111.6	S519 N521 V523 Y524 K575 Q580 E581	S519-D577 WeakPolarHBondContact CB-OD2 2.99Å; S519-D577 PolarHBondContact OG-OD2 2.94Å; N521-D577 WeakPolarHBondContact ND2-CB 3.5Å; N521-D577 PolarHBondContact OD1-OD2 3Å; V523-D577 HydrophobicContact CB-CB 4.31Å; Y524-D577 HydrophobicContact CD2-CB 3.64Å; Y524-D577 HydrophobicContact CE2-CB 3.67Å; Y524-D577 WeakPolarHBondContact CE2-O 3.49Å; K575-D577 VanDerWaalsContact C-N 3.34Å; K575-D577 PolarHBondContact O-N 2.85Å; D577-Q580 PolarHBondContact O-N 2.79Å; D577-E581 PolarHBondContact O-N 3.1Å
578	C	76.2	Confident	72	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-39.9	175.5	-60.4	0	0	0	0	112.2	N521 V523 L561 I564 I565 K575 V576 Q580 E581 L582	N521-C578 PolarHBondContact ND2-SG 2.99Å; V523-C578 WeakPolarHBondContact CG2-SG 3.3Å; L561-C578 HydrophobicContact CD1-CB 3.61Å; I564-C578 HydrophobicContact CG2-CB 4.41Å; I564-C578 WeakPolarHBondContact CG2-SG 3.41Å; I565-C578 HydrophobicContact CD1-CB 3.96Å; I565-C578 HydrophobicContact CG1-CB 3.46Å; I565-C578 VanDerWaalsContact CG1-CB 3.46Å; K575-C578 WeakPolarHBondContact O-CB 3.25Å; K575-C578 PolarHBondContact O-N 3.4Å; V576-C578 VanDerWaalsContact C-N 3.33Å; V576-C578 PolarHBondContact O-N 3.11Å; C578-Q580 VanDerWaalsContact C-N 3.32Å; C578-E581 PolarHBondContact O-N 3.24Å; C578-L582 WeakPolarHBondContact O-CB 3.42Å; C578-L582 PolarHBondContact O-N 2.68Å
579	L	80.2	Confident	70.8	Confident	15 Å²	15	55 Å²	55	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.6	-64.6	174.8	0	0	0	110.9	L105 I565 K575 V576 L582 I583 F640	L105-L579 HydrophobicContact CD2-CD1 4.4Å; I565-L579 HydrophobicContact CG1-CD2 4.46Å; I565-L579 HydrophobicContact CG2-CD2 4.19Å; K575-L579 HydrophobicContact CB-CD1 4.41Å; K575-L579 HydrophobicContact CB-CG 4.41Å; K575-L579 WeakPolarHBondContact O-CG 3.01Å; K575-L579 PolarHBondContact O-N 2.9Å; V576-L579 PolarHBondContact O-N 2.86Å; L579-L582 PolarHBondContact O-N 3.29Å; L579-I583 WeakPolarHBondContact O-CG1 3.44Å; L579-I583 PolarHBondContact O-N 2.84Å; L579-I583 VanDerWaalsContact O-N 3.15Å; L579-F640 HydrophobicContact CB-CD1 4.48Å; L579-F640 HydrophobicContact CB-CE1 3.78Å; L579-F640 HydrophobicContact CB-CZ 3.81Å; L579-F640 HydrophobicContact CD2-CD1 3.65Å; L579-F640 HydrophobicContact CD2-CE1 3.67Å; L579-F640 HydrophobicContact CD2-CG 4.46Å; L579-F640 HydrophobicContact CD2-CZ 4.49Å; L579-F640 HydrophobicContact CG-CE1 4.25Å; L579-F640 WeakPolarHBondContact O-CZ 3.32Å
580	Q	75	Confident	69.5	Low	55 Å²	55	54.1 Å²	54.1	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-45.6	173.5	-173.9	179.7	-67.6	0	0	111.3	R113 V576 D577 C578 L582 I583 Q584	R113-Q580 VanDerWaalsContact NH1-OE1 3.14Å; V576-Q580 PolarHBondContact O-N 2.77Å; D577-Q580 PolarHBondContact O-N 2.79Å; C578-Q580 VanDerWaalsContact C-N 3.32Å; Q580-L582 VanDerWaalsContact C-N 3.29Å; Q580-L582 PolarHBondContact O-N 2.95Å; Q580-I583 PolarHBondContact O-N 2.87Å; Q580-Q584 WeakPolarHBondContact O-CG 3.33Å; Q580-Q584 PolarHBondContact O-N 2.74Å; Q580-Q584 VanDerWaalsContact O-N 3.08Å
581	E	72.8	Confident	68.2	Low	14 Å²	14	59.2 Å²	59.2	7%	0.065	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-39.3	177.3	-172.2	61.5	-166.8	0	0	111.5	V523 Y524 S554 L561 D577 C578 I583 Q584 R585	V523-E581 HydrophobicContact CG1-CB 4.25Å; V523-E581 HydrophobicContact CG1-CG 4.48Å; Y524-E581 WeakPolarHBondContact CE1-OE2 3.26Å; Y524-E581 VanDerWaalsContact CZ-OE2 3.29Å; Y524-E581 VanDerWaalsContact OH-CA 3.24Å; Y524-E581 WeakPolarHBondContact OH-CA 3.06Å; Y524-E581 WeakPolarHBondContact OH-CB 2.99Å; Y524-E581 PolarHBondContact OH-N 3.17Å; Y524-E581 VanDerWaalsContact OH-N 3.08Å; Y524-E581 PolarHBondContact OH-OE2 3.1Å; S554-E581 VanDerWaalsContact CB-OE1 3.25Å; S554-E581 WeakPolarHBondContact CB-OE1 3.31Å; S554-E581 WeakPolarHBondContact CB-OE2 3.49Å; L561-E581 HydrophobicContact CD1-CB 4Å; L561-E581 HydrophobicContact CD1-CG 4.15Å; L561-E581 HydrophobicContact CD2-CB 4.41Å; L561-E581 HydrophobicContact CD2-CG 4.11Å; D577-E581 PolarHBondContact O-N 3.1Å; C578-E581 PolarHBondContact O-N 3.24Å; E581-I583 PolarHBondContact O-N 3.43Å; E581-Q584 PolarHBondContact O-N 3.16Å; E581-Q584 PolarHBondContact OE2-OE1 2.79Å; E581-R585 WeakPolarHBondContact O-CG 3.37Å; E581-R585 PolarHBondContact O-N 2.85Å; E581-R585 IonicContact OE1-CZ 3.46Å; E581-R585 VanDerWaalsContact OE1-CZ 3.3Å; E581-R585 IonicContact OE1-NE 3.68Å; E581-R585 PolarHBondContact OE1-NE 3.29Å; E581-R585 IonicContact OE1-NH2 2.65Å; E581-R585 PolarHBondContact OE1-NH2 3.3Å
582	L	81	Confident	66.8	Low	0 Å²	0	65 Å²	65	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-46.9	174.5	-178.8	61.9	0	0	0	111.2	I565 C578 L579 Q580 Q584 R585 W586 L603 F640 M644	I565-L582 HydrophobicContact CD1-CB 4.02Å; I565-L582 HydrophobicContact CD1-CD2 4Å; I565-L582 HydrophobicContact CD1-CG 4.48Å; C578-L582 WeakPolarHBondContact O-CB 3.42Å; C578-L582 PolarHBondContact O-N 2.68Å; L579-L582 PolarHBondContact O-N 3.29Å; Q580-L582 VanDerWaalsContact C-N 3.29Å; Q580-L582 PolarHBondContact O-N 2.95Å; L582-Q584 VanDerWaalsContact C-N 3.35Å; L582-Q584 PolarHBondContact O-N 2.86Å; L582-R585 PolarHBondContact O-N 2.85Å; L582-W586 HydrophobicContact CD1-CE3 4.03Å; L582-W586 HydrophobicContact CD1-CZ3 4.4Å; L582-W586 HydrophobicContact CG-CE3 4.34Å; L582-W586 VanDerWaalsContact O-CB 3.26Å; L582-W586 WeakPolarHBondContact O-CB 3.22Å; L582-W586 PolarHBondContact O-N 3.29Å; L582-L603 HydrophobicContact CD1-CB 4.4Å; L582-L603 HydrophobicContact CD1-CD2 4.02Å; L582-F640 HydrophobicContact CD2-CD1 4.46Å; L582-F640 HydrophobicContact CD2-CE1 4.1Å; L582-M644 HydrophobicContact CD2-CE 3.65Å; L582-M644 HydrophobicContact CG-CE 3.9Å; L582-M644 HydrophobicContact CG-SD 4.39Å
583	I	79.5	Confident	65.5	Low	16 Å²	16	64.2 Å²	64.2	8%	0.082	32%	0.323	C	S	.	.	H	α-helix	trans	-60.4	-45	176.5	-65	162.6	0	0	0	111.2	H108 L579 Q580 E581 R585 W586 H587 F640 M644	H108-I583 HydrophobicContact CB-CG2 4.23Å; L579-I583 WeakPolarHBondContact O-CG1 3.44Å; L579-I583 PolarHBondContact O-N 2.84Å; L579-I583 VanDerWaalsContact O-N 3.15Å; Q580-I583 PolarHBondContact O-N 2.87Å; E581-I583 PolarHBondContact O-N 3.43Å; I583-R585 VanDerWaalsContact C-N 3.31Å; I583-R585 PolarHBondContact O-N 3.32Å; I583-W586 WeakPolarHBondContact O-CB 3.26Å; I583-W586 PolarHBondContact O-N 3.17Å; I583-H587 PolarHBondContact O-CD2 3.04Å; I583-F640 HydrophobicContact CD1-CE2 3.7Å; I583-F640 HydrophobicContact CD1-CZ 3.44Å; I583-F640 VanDerWaalsContact CD1-CZ 3.44Å; I583-F640 HydrophobicContact CG1-CE1 4.25Å; I583-F640 HydrophobicContact CG1-CE2 4.03Å; I583-F640 HydrophobicContact CG1-CZ 3.41Å; I583-F640 VanDerWaalsContact CG1-CZ 3.41Å; I583-M644 HydrophobicContact CB-SD 4.48Å; I583-M644 HydrophobicContact CG1-CG 4.48Å; I583-M644 HydrophobicContact CG1-SD 3.78Å
584	Q	72.7	Confident	64.1	Low	93 Å²	93	67.2 Å²	67.2	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-43.3	-177.5	-71.5	-176.8	-1.4	0	0	110.9	Q580 E581 L582	Q580-Q584 WeakPolarHBondContact O-CG 3.33Å; Q580-Q584 PolarHBondContact O-N 2.74Å; Q580-Q584 VanDerWaalsContact O-N 3.08Å; E581-Q584 PolarHBondContact O-N 3.16Å; E581-Q584 PolarHBondContact OE2-OE1 2.79Å; L582-Q584 VanDerWaalsContact C-N 3.35Å; L582-Q584 PolarHBondContact O-N 2.86Å
585	R	76.1	Confident	62.9	Low	49 Å²	49	68.3 Å²	68.3	19%	0.185	36%	0.355	C	S	.	.	H	α-helix	trans	-74.2	-28.6	177.4	-64.8	-174.7	-170.6	-168.1	5.5	113.6	W556 N558 E581 L582 I583 H587 L588 L603	W556-R585 VanDerWaalsContact O-CZ 3.27Å; W556-R585 PolarHBondContact O-NH1 2.78Å; W556-R585 PolarHBondContact O-NH2 3.3Å; N558-R585 PolarHBondContact OD1-NH1 3.18Å; E581-R585 WeakPolarHBondContact O-CG 3.37Å; E581-R585 PolarHBondContact O-N 2.85Å; E581-R585 IonicContact OE1-CZ 3.46Å; E581-R585 VanDerWaalsContact OE1-CZ 3.3Å; E581-R585 IonicContact OE1-NE 3.68Å; E581-R585 PolarHBondContact OE1-NE 3.29Å; E581-R585 IonicContact OE1-NH2 2.65Å; E581-R585 PolarHBondContact OE1-NH2 3.3Å; L582-R585 PolarHBondContact O-N 2.85Å; I583-R585 VanDerWaalsContact C-N 3.31Å; I583-R585 PolarHBondContact O-N 3.32Å; R585-H587 PolarHBondContact O-N 3.37Å; R585-L588 HydrophobicContact CB-CD1 4.24Å; R585-L588 HydrophobicContact CG-CD1 4.05Å; R585-L588 PolarHBondContact O-N 2.77Å; R585-L603 HydrophobicContact CB-CD1 4.09Å; R585-L603 HydrophobicContact CG-CD1 4.48Å
586	W	74.1	Confident	61.4	Low	33 Å²	33	74.1 Å²	74.1	13%	0.125	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-29	177.5	-160.7	-83.5	0	0	0	113.1	L582 I583 R604 C607 I641 M644 L645	L582-W586 HydrophobicContact CD1-CE3 4.03Å; L582-W586 HydrophobicContact CD1-CZ3 4.4Å; L582-W586 HydrophobicContact CG-CE3 4.34Å; L582-W586 VanDerWaalsContact O-CB 3.26Å; L582-W586 WeakPolarHBondContact O-CB 3.22Å; L582-W586 PolarHBondContact O-N 3.29Å; I583-W586 WeakPolarHBondContact O-CB 3.26Å; I583-W586 PolarHBondContact O-N 3.17Å; W586-R604 HydrophobicContact CE3-CB 4.39Å; W586-R604 HydrophobicContact CH2-CB 4.04Å; W586-R604 HydrophobicContact CH2-CG 3.69Å; W586-R604 HydrophobicContact CZ2-CB 4.31Å; W586-R604 HydrophobicContact CZ2-CG 3.66Å; W586-R604 HydrophobicContact CZ3-CB 4.08Å; W586-R604 HydrophobicContact CZ3-CG 4.25Å; W586-C607 HydrophobicContact CH2-CB 4.02Å; W586-C607 HydrophobicContact CZ3-CB 3.75Å; W586-I641 HydrophobicContact CH2-CG2 4.27Å; W586-M644 HydrophobicContact CB-SD 4.33Å; W586-M644 HydrophobicContact CD2-CB 4.37Å; W586-M644 HydrophobicContact CD2-CE 4.07Å; W586-M644 HydrophobicContact CD2-SD 4.08Å; W586-M644 HydrophobicContact CE3-CE 3.68Å; W586-M644 HydrophobicContact CE3-SD 4.17Å; W586-M644 HydrophobicContact CG-SD 4.16Å; W586-M644 HydrophobicContact CH2-CE 4.39Å; W586-M644 HydrophobicContact CZ3-CE 3.85Å; W586-L645 HydrophobicContact CH2-CD2 4.4Å; W586-L645 HydrophobicContact CZ2-CD2 3.72Å; W586-L645 HydrophobicContact CZ2-CG 4.23Å
587	H	68.2	Low	59.6	Low	71 Å²	71	75.7 Å²	75.7	33%	0.329	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	6.8	-177.2	-62.6	-58.9	0	0	0	113.8	H108 I583 R585	H108-H587 AromaticContact CD2-CD2 3.24Å; H108-H587 PolarHBondContact CD2-CD2 3.44Å; H108-H587 AromaticContact CD2-CG 3.68Å; H108-H587 AromaticContact CD2-NE2 3.77Å; H108-H587 AromaticContact CG-CD2 3.96Å; H108-H587 AromaticContact NE2-CD2 3.88Å; H108-H587 AromaticContact NE2-CG 3.94Å; I583-H587 PolarHBondContact O-CD2 3.04Å; R585-H587 PolarHBondContact O-N 3.37Å
588	L	62.9	Low	58.2	Low	105 Å²	105	79.8 Å²	79.8	55%	0.55	43%	0.431	S	S	.	.	S	Bend	trans	-67.1	129.8	173.5	-78.3	166.6	0	0	0	108.9	R585 D590	R585-L588 HydrophobicContact CB-CD1 4.24Å; R585-L588 HydrophobicContact CG-CD1 4.05Å; R585-L588 PolarHBondContact O-N 2.77Å; L588-D590 PolarHBondContact O-N 2.76Å
589	P	52.1	Low	56.3	Low	81 Å²	81	86.9 Å²	86.9	53%	0.526	47%	0.469	S	S	.	.			trans	-65.3	134.6	171.4	22.3	-26.7	0	0	0	109.9	D591 K592	P589-D591 PolarHBondContact O-N 2.78Å; P589-K592 PolarHBondContact O-N 3.21Å; P589-K592 VanDerWaalsContact O-N 3.15Å
590	D	49.3	Very low	54.5	Low	143 Å²	143	90.2 Å²	90.2	77%	0.765	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-51.2	-30.1	-178.7	-71.6	-36.3	0	0	0	112.7	L588 K592 A593	L588-D590 PolarHBondContact O-N 2.76Å; D590-K592 PolarHBondContact O-N 2.87Å; D590-A593 VanDerWaalsContact O-CB 3.26Å; D590-A593 WeakPolarHBondContact O-CB 3.41Å; D590-A593 PolarHBondContact O-N 2.85Å
591	D	40	Very low	53.5	Low	145 Å²	145	90.7 Å²	90.7	78%	0.775	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-62.6	-14.5	-179.1	-69.7	-19.7	0	0	0	115.4	P589	P589-D591 PolarHBondContact O-N 2.78Å
592	K	40.3	Very low	53.4	Low	168 Å²	168	94 Å²	94	73%	0.73	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-99.8	0.9	174	-76.1	-167	177.5	-175.6	0	114.1	P589 D590 D594	P589-K592 PolarHBondContact O-N 3.21Å; P589-K592 VanDerWaalsContact O-N 3.15Å; D590-K592 PolarHBondContact O-N 2.87Å; K592-D594 VanDerWaalsContact C-N 3.29Å
593	A	40.8	Very low	53.1	Low	42 Å²	42	94.4 Å²	94.4	35%	0.347	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-73.3	-20.5	176.1	0	0	0	0	0	113.1	D590 N595 L596 I600	D590-A593 VanDerWaalsContact O-CB 3.26Å; D590-A593 WeakPolarHBondContact O-CB 3.41Å; D590-A593 PolarHBondContact O-N 2.85Å; A593-N595 PolarHBondContact O-N 2.63Å; A593-N595 VanDerWaalsContact O-N 3.1Å; A593-L596 PolarHBondContact O-N 2.94Å; A593-L596 VanDerWaalsContact O-N 3.17Å; A593-I600 HydrophobicContact CB-CD1 4.12Å
594	D	35	Very low	53.2	Low	143 Å²	143	97.5 Å²	97.5	77%	0.765	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.7	-172.2	-80.4	-14.5	0	0	0	115.4	K592	K592-D594 VanDerWaalsContact C-N 3.29Å
595	N	37.1	Very low	53.6	Low	161 Å²	161	96.2 Å²	96.2	86%	0.861	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-94.9	0.1	-179.6	-76.2	-22.3	0	0	0	114.8	A593	A593-N595 PolarHBondContact O-N 2.63Å; A593-N595 VanDerWaalsContact O-N 3.1Å
596	L	38.5	Very low	53.9	Low	124 Å²	124	94.8 Å²	94.8	65%	0.649	51%	0.513	S	S	*	.	S	Bend	trans	-115.3	76	174.8	-86.6	138.4	0	0	0	109.9	A593 S598 I600	A593-L596 PolarHBondContact O-N 2.94Å; A593-L596 VanDerWaalsContact O-N 3.17Å; L596-S598 PolarHBondContact O-N 3.09Å; L596-I600 HydrophobicContact CB-CD1 4.29Å; L596-I600 WeakPolarHBondContact O-CD1 3.43Å
597	S	33.1	Very low	54.5	Low	95 Å²	95	93.2 Å²	93.2	66%	0.664	51%	0.507	S	S	*	.			trans	30.3	87.1	159.4	62.9	0	0	0	0	116.9	N599	S597-N599 PolarHBondContact O-N 3.49Å
598	S	36.8	Very low	55.3	Low	123 Å²	123	90.3 Å²	90.3	86%	0.86	49%	0.494	S	S	*	.	S	Bend	trans	31.8	9.1	140.2	72.5	0	0	0	0	123.9	L596	L596-S598 PolarHBondContact O-N 3.09Å
599	N	37.4	Very low	56.4	Low	148 Å²	148	90.4 Å²	90.4	79%	0.791	49%	0.492	S	S	*	.			trans	-137.1	28.4	178.3	-95.2	-7.2	0	0	0	111.5	S597 T601	S597-N599 PolarHBondContact O-N 3.49Å; N599-T601 VanDerWaalsContact C-N 3.34Å; N599-T601 PolarHBondContact O-N 2.89Å
600	I	42.9	Very low	58	Low	86 Å²	86	91.5 Å²	91.5	44%	0.441	49%	0.488	S	S	.	.			trans	-73	92.2	177	-56.7	176.8	0	0	0	107.8	N558 A593 L596 D602	N558-I600 VanDerWaalsContact ND2-CG2 3.28Å; N558-I600 WeakPolarHBondContact ND2-CG2 3.35Å; A593-I600 HydrophobicContact CB-CD1 4.12Å; L596-I600 HydrophobicContact CB-CD1 4.29Å; L596-I600 WeakPolarHBondContact O-CD1 3.43Å; I600-D602 PolarHBondContact O-N 2.74Å; I600-D602 VanDerWaalsContact O-N 3.16Å
601	T	52.8	Low	59.7	Low	64 Å²	64	84.7 Å²	84.7	39%	0.393	45%	0.452	S	S	.	.			trans	-51	117	155.5	6.7	0	0	0	0	107.6	N558 D559 N599 L603 I606	N558-T601 PolarHBondContact ND2-O 2.8Å; D559-T601 PolarHBondContact OD1-OG1 2.77Å; N599-T601 VanDerWaalsContact C-N 3.34Å; N599-T601 PolarHBondContact O-N 2.89Å; T601-L603 PolarHBondContact O-N 3.14Å; T601-I606 VanDerWaalsContact CB-CD1 3.47Å; T601-I606 HydrophobicContact CG2-CD1 3.59Å; T601-I606 HydrophobicContact CG2-CG1 4.49Å
602	D	70.1	Confident	61.7	Low	83 Å²	83	80 Å²	80	44%	0.444	43%	0.427	S	S	.	.			trans	-58.6	113.3	179.7	175.3	16	0	0	0	109.1	I600 R604 Q605 I606	I600-D602 PolarHBondContact O-N 2.74Å; I600-D602 VanDerWaalsContact O-N 3.16Å; D602-R604 PolarHBondContact O-N 2.97Å; D602-R604 VanDerWaalsContact OD1-CB 3.29Å; D602-R604 WeakPolarHBondContact OD1-CB 3.48Å; D602-R604 PolarHBondContact OD1-N 3.1Å; D602-Q605 HydrophobicContact CB-CB 3.81Å; D602-Q605 WeakPolarHBondContact O-CB 3.18Å; D602-Q605 PolarHBondContact O-N 3.03Å; D602-Q605 VanDerWaalsContact O-N 3.14Å; D602-Q605 PolarHBondContact OD2-N 2.62Å; D602-I606 PolarHBondContact O-N 2.96Å
603	L	76.1	Confident	63.6	Low	10 Å²	10	72.5 Å²	72.5	5%	0.052	39%	0.394	C	S	.	.	H	α-helix	trans	-55.4	-35	178	-97.6	159.9	0	0	0	111.3	N558 L561 Q562 L582 R585 T601 C607	N558-L603 HydrophobicContact CB-CD1 4.03Å; N558-L603 HydrophobicContact CB-CD2 4.28Å; N558-L603 HydrophobicContact CB-CG 3.78Å; N558-L603 VanDerWaalsContact CG-CG 3.45Å; N558-L603 WeakPolarHBondContact OD1-CD1 3.44Å; L561-L603 HydrophobicContact CD2-CD1 3.99Å; L561-L603 HydrophobicContact CD2-CD2 3.94Å; Q562-L603 HydrophobicContact CG-CD2 3.86Å; L582-L603 HydrophobicContact CD1-CB 4.4Å; L582-L603 HydrophobicContact CD1-CD2 4.02Å; R585-L603 HydrophobicContact CB-CD1 4.09Å; R585-L603 HydrophobicContact CG-CD1 4.48Å; T601-L603 PolarHBondContact O-N 3.14Å; L603-C607 WeakPolarHBondContact O-CB 3.32Å; L603-C607 PolarHBondContact O-N 2.92Å; L603-C607 PolarHBondContact O-SG 3.28Å
604	R	81.1	Confident	65.2	Low	80 Å²	80	74.9 Å²	74.9	30%	0.302	40%	0.398	S	S	.	.	H	α-helix	trans	-66.2	-51.7	176.7	175.5	175	-177.9	-145.7	2.6	110	W586 D602 I606 C607 L608 D648	W586-R604 HydrophobicContact CE3-CB 4.39Å; W586-R604 HydrophobicContact CH2-CB 4.04Å; W586-R604 HydrophobicContact CH2-CG 3.69Å; W586-R604 HydrophobicContact CZ2-CB 4.31Å; W586-R604 HydrophobicContact CZ2-CG 3.66Å; W586-R604 HydrophobicContact CZ3-CB 4.08Å; W586-R604 HydrophobicContact CZ3-CG 4.25Å; D602-R604 PolarHBondContact O-N 2.97Å; D602-R604 VanDerWaalsContact OD1-CB 3.29Å; D602-R604 WeakPolarHBondContact OD1-CB 3.48Å; D602-R604 PolarHBondContact OD1-N 3.1Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 2.8Å; R604-C607 WeakPolarHBondContact O-CB 3.2Å; R604-C607 PolarHBondContact O-N 3.06Å; R604-C607 VanDerWaalsContact O-N 3.09Å; R604-L608 HydrophobicContact CG-CD1 4.25Å; R604-L608 WeakPolarHBondContact O-CG 3.33Å; R604-L608 PolarHBondContact O-N 2.77Å; R604-D648 IonicContact CZ-OD2 2.94Å; R604-D648 IonicContact NE-OD2 3.7Å; R604-D648 VanDerWaalsContact NH2-CG 3.27Å; R604-D648 IonicContact NH2-OD1 2.63Å; R604-D648 PolarHBondContact NH2-OD1 3.13Å; R604-D648 IonicContact NH2-OD2 3.22Å; R604-D648 PolarHBondContact NH2-OD2 2.93Å
605	Q	80.8	Confident	66.8	Low	67 Å²	67	74.9 Å²	74.9	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-54.5	-44.3	176.3	-173.6	57.6	27.3	0	0	112.5	D602 C607 L608 E609	D602-Q605 HydrophobicContact CB-CB 3.81Å; D602-Q605 WeakPolarHBondContact O-CB 3.18Å; D602-Q605 PolarHBondContact O-N 3.03Å; D602-Q605 VanDerWaalsContact O-N 3.14Å; D602-Q605 PolarHBondContact OD2-N 2.62Å; Q605-C607 PolarHBondContact O-N 2.84Å; Q605-L608 WeakPolarHBondContact O-CB 3.22Å; Q605-L608 PolarHBondContact O-N 2.86Å; Q605-E609 PolarHBondContact NE2-OE1 2.9Å; Q605-E609 WeakPolarHBondContact O-CG 3.25Å; Q605-E609 PolarHBondContact O-N 2.85Å
606	I	82.8	Confident	68	Low	18 Å²	18	67.6 Å²	67.6	9%	0.092	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-38.1	178.6	-68.7	169.8	0	0	0	111.9	Q562 T601 D602 R604 L608 E609 K610	Q562-I606 HydrophobicContact CG-CG2 4.17Å; T601-I606 VanDerWaalsContact CB-CD1 3.47Å; T601-I606 HydrophobicContact CG2-CD1 3.59Å; T601-I606 HydrophobicContact CG2-CG1 4.49Å; D602-I606 PolarHBondContact O-N 2.96Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 2.8Å; I606-L608 VanDerWaalsContact C-N 3.31Å; I606-L608 PolarHBondContact O-N 3.07Å; I606-E609 PolarHBondContact O-N 2.83Å; I606-K610 HydrophobicContact CG2-CG 4.19Å; I606-K610 WeakPolarHBondContact O-CB 3.48Å; I606-K610 VanDerWaalsContact O-CG 3.24Å; I606-K610 WeakPolarHBondContact O-CG 3.48Å; I606-K610 PolarHBondContact O-N 3.27Å
607	C	87	Confident	69.1	Low	1 Å²	1	63.8 Å²	63.8	1%	0.007	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-41.6	173.4	-71.2	0	0	0	0	111.4	W586 L603 R604 Q605 K610 I611 I641	W586-C607 HydrophobicContact CH2-CB 4.02Å; W586-C607 HydrophobicContact CZ3-CB 3.75Å; L603-C607 WeakPolarHBondContact O-CB 3.32Å; L603-C607 PolarHBondContact O-N 2.92Å; L603-C607 PolarHBondContact O-SG 3.28Å; R604-C607 WeakPolarHBondContact O-CB 3.2Å; R604-C607 PolarHBondContact O-N 3.06Å; R604-C607 VanDerWaalsContact O-N 3.09Å; Q605-C607 PolarHBondContact O-N 2.84Å; C607-K610 PolarHBondContact O-N 2.76Å; C607-I611 WeakPolarHBondContact O-CG1 3.48Å; C607-I611 WeakPolarHBondContact O-CG2 3.44Å; C607-I611 PolarHBondContact O-N 3.18Å; C607-I611 VanDerWaalsContact O-N 3.16Å; C607-I641 HydrophobicContact CB-CD1 4.12Å; C607-I641 HydrophobicContact CB-CG1 4.47Å; C607-I641 HydrophobicContact CB-CG2 4.2Å
608	L	85.3	Confident	70.4	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-40.5	175.7	-67.3	175.7	0	0	0	111.9	R604 Q605 I606 I611 D612 F613 L645	R604-L608 HydrophobicContact CG-CD1 4.25Å; R604-L608 WeakPolarHBondContact O-CG 3.33Å; R604-L608 PolarHBondContact O-N 2.77Å; Q605-L608 WeakPolarHBondContact O-CB 3.22Å; Q605-L608 PolarHBondContact O-N 2.86Å; I606-L608 VanDerWaalsContact C-N 3.31Å; I606-L608 PolarHBondContact O-N 3.07Å; L608-I611 HydrophobicContact CD2-CD1 4.34Å; L608-I611 WeakPolarHBondContact O-CG1 3.29Å; L608-D612 PolarHBondContact O-N 3.31Å; L608-F613 HydrophobicContact CB-CB 4.12Å; L608-F613 HydrophobicContact CD2-CB 3.87Å; L608-F613 HydrophobicContact CD2-CD1 4.03Å; L608-F613 HydrophobicContact CD2-CD2 4.18Å; L608-F613 HydrophobicContact CD2-CG 3.77Å; L608-F613 WeakPolarHBondContact O-CB 3.13Å; L608-F613 PolarHBondContact O-N 3.23Å; L608-L645 HydrophobicContact CD2-CD1 3.97Å; L608-L645 HydrophobicContact CD2-CD2 3.97Å
609	E	85.5	Confident	71.6	Confident	108 Å²	108	64.1 Å²	64.1	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-44.3	173.9	-72.9	172.9	-170.7	0	0	112	Q605 I606 I611 D612	Q605-E609 PolarHBondContact NE2-OE1 2.9Å; Q605-E609 WeakPolarHBondContact O-CG 3.25Å; Q605-E609 PolarHBondContact O-N 2.85Å; I606-E609 PolarHBondContact O-N 2.83Å; E609-I611 PolarHBondContact O-N 3.42Å; E609-D612 PolarHBondContact O-N 2.78Å
610	K	85.3	Confident	72.9	Confident	103 Å²	103	63.2 Å²	63.2	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-23.6	-179	-73.1	-69.6	-175.2	-169.7	0	114.3	F566 I606 C607 Y638	F566-K610 HydrophobicContact CD1-CB 4.24Å; F566-K610 HydrophobicContact CD1-CD 4.47Å; F566-K610 HydrophobicContact CD1-CG 4.28Å; F566-K610 HydrophobicContact CD2-CD 4.43Å; F566-K610 HydrophobicContact CD2-CG 4.08Å; F566-K610 HydrophobicContact CE1-CB 3.69Å; F566-K610 HydrophobicContact CE1-CG 4.04Å; F566-K610 HydrophobicContact CE2-CB 4.26Å; F566-K610 HydrophobicContact CE2-CG 3.83Å; F566-K610 HydrophobicContact CG-CD 4.34Å; F566-K610 HydrophobicContact CG-CG 4.3Å; F566-K610 HydrophobicContact CZ-CB 3.7Å; F566-K610 HydrophobicContact CZ-CG 3.81Å; I606-K610 HydrophobicContact CG2-CG 4.19Å; I606-K610 WeakPolarHBondContact O-CB 3.48Å; I606-K610 VanDerWaalsContact O-CG 3.24Å; I606-K610 WeakPolarHBondContact O-CG 3.48Å; I606-K610 PolarHBondContact O-N 3.27Å; C607-K610 PolarHBondContact O-N 2.76Å; K610-Y638 PolarHBondContact O-OH 2.58Å
611	I	85.8	Confident	74	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.9	174.3	71.9	177.9	0	0	0	112.4	C607 L608 E609 F613 W627 Y638 I641 L645	C607-I611 WeakPolarHBondContact O-CG1 3.48Å; C607-I611 WeakPolarHBondContact O-CG2 3.44Å; C607-I611 PolarHBondContact O-N 3.18Å; C607-I611 VanDerWaalsContact O-N 3.16Å; L608-I611 HydrophobicContact CD2-CD1 4.34Å; L608-I611 WeakPolarHBondContact O-CG1 3.29Å; E609-I611 PolarHBondContact O-N 3.42Å; I611-F613 VanDerWaalsContact C-N 3.27Å; I611-F613 HydrophobicContact CD1-CB 4.03Å; I611-F613 HydrophobicContact CD1-CD2 3.84Å; I611-F613 HydrophobicContact CD1-CG 4.36Å; I611-F613 HydrophobicContact CG1-CB 3.83Å; I611-F613 HydrophobicContact CG1-CD2 4.48Å; I611-F613 PolarHBondContact O-N 3.47Å; I611-W627 HydrophobicContact CB-CZ2 3.92Å; I611-W627 WeakPolarHBondContact O-CZ2 3.4Å; I611-W627 PolarHBondContact O-NE1 3.14Å; I611-W627 VanDerWaalsContact O-NE1 3.09Å; I611-Y638 HydrophobicContact CG2-CD1 3.61Å; I611-Y638 HydrophobicContact CG2-CE1 3.96Å; I611-Y638 HydrophobicContact CG2-CG 4.01Å; I611-I641 HydrophobicContact CD1-CG2 3.96Å; I611-I641 HydrophobicContact CG2-CD1 3.77Å; I611-I641 HydrophobicContact CG2-CG2 4.44Å; I611-L645 HydrophobicContact CD1-CD1 4Å
612	D	81.4	Confident	74.9	Confident	48 Å²	48	60.1 Å²	60.1	26%	0.257	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	31.7	-175	-55	-40.4	0	0	0	113.8	L608 E609 H614 Q615 A616 S626	L608-D612 PolarHBondContact O-N 3.31Å; E609-D612 PolarHBondContact O-N 2.78Å; D612-H614 PolarHBondContact O-N 2.85Å; D612-Q615 PolarHBondContact O-N 2.97Å; D612-A616 WeakPolarHBondContact O-CB 3.44Å; D612-A616 PolarHBondContact O-N 3.21Å; D612-S626 WeakPolarHBondContact OD2-CB 3.47Å; D612-S626 PolarHBondContact OD2-OG 3.35Å
613	F	80.7	Confident	75.3	Confident	10 Å²	10	56.7 Å²	56.7	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-56.3	-51.5	-170.4	-164.3	-95.3	0	0	0	112.4	L608 I611 C617 L645 I653 R656 W660	L608-F613 HydrophobicContact CB-CB 4.12Å; L608-F613 HydrophobicContact CD2-CB 3.87Å; L608-F613 HydrophobicContact CD2-CD1 4.03Å; L608-F613 HydrophobicContact CD2-CD2 4.18Å; L608-F613 HydrophobicContact CD2-CG 3.77Å; L608-F613 WeakPolarHBondContact O-CB 3.13Å; L608-F613 PolarHBondContact O-N 3.23Å; I611-F613 VanDerWaalsContact C-N 3.27Å; I611-F613 HydrophobicContact CD1-CB 4.03Å; I611-F613 HydrophobicContact CD1-CD2 3.84Å; I611-F613 HydrophobicContact CD1-CG 4.36Å; I611-F613 HydrophobicContact CG1-CB 3.83Å; I611-F613 HydrophobicContact CG1-CD2 4.48Å; I611-F613 PolarHBondContact O-N 3.47Å; F613-C617 WeakPolarHBondContact O-CB 3.24Å; F613-C617 PolarHBondContact O-N 2.84Å; F613-C617 PolarHBondContact O-SG 2.93Å; F613-L645 HydrophobicContact CD2-CD1 4.29Å; F613-L645 HydrophobicContact CE2-CD1 4.16Å; F613-I653 HydrophobicContact CE1-CG1 4.32Å; F613-I653 HydrophobicContact CE1-CG2 4.37Å; F613-I653 HydrophobicContact CZ-CB 4.42Å; F613-I653 HydrophobicContact CZ-CG2 3.92Å; F613-R656 HydrophobicContact CZ-CB 4.46Å; F613-R656 HydrophobicContact CZ-CG 4.39Å; F613-W660 HydrophobicContact CD2-CE3 4.2Å; F613-W660 HydrophobicContact CD2-CH2 4Å; F613-W660 AromaticContact CD2-CZ3 3.48Å; F613-W660 HydrophobicContact CD2-CZ3 3.48Å; F613-W660 VanDerWaalsContact CD2-CZ3 3.48Å; F613-W660 HydrophobicContact CE2-CE3 4.35Å; F613-W660 HydrophobicContact CE2-CH2 4.43Å; F613-W660 AromaticContact CE2-CZ3 3.97Å; F613-W660 HydrophobicContact CE2-CZ3 3.97Å; F613-W660 HydrophobicContact CG-CH2 4.47Å; F613-W660 HydrophobicContact CG-CZ3 4.27Å
614	H	74	Confident	75.5	Confident	91 Å²	91	56.4 Å²	56.4	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-68.6	-40.7	-177.1	-64.1	-67.5	0	0	0	113.3	D612 C617 L618	D612-H614 PolarHBondContact O-N 2.85Å; H614-C617 PolarHBondContact O-N 2.9Å; H614-L618 PolarHBondContact O-N 2.79Å
615	Q	68.5	Low	75.5	Confident	144 Å²	144	59.4 Å²	59.4	67%	0.673	31%	0.313	S	S	*	.	H	α-helix	trans	-66.7	-40.4	178.6	-78.7	-174.3	-5.1	0	0	111.8	D612 L618 A619	D612-Q615 PolarHBondContact O-N 2.97Å; Q615-L618 PolarHBondContact O-N 2.95Å; Q615-A619 PolarHBondContact O-N 3.13Å
616	A	62.1	Low	75.6	Confident	8 Å²	8	58.5 Å²	58.5	7%	0.066	31%	0.314	C	S	.	.	H	α-helix	trans	-73.8	-27.3	178.5	0	0	0	0	0	113	D612 L618 A619 P624 W660	D612-A616 WeakPolarHBondContact O-CB 3.44Å; D612-A616 PolarHBondContact O-N 3.21Å; A616-L618 VanDerWaalsContact C-N 3.33Å; A616-A619 PolarHBondContact O-N 3.27Å; A616-P624 HydrophobicContact CB-CB 4.34Å; A616-P624 HydrophobicContact CB-CG 3.99Å; A616-W660 HydrophobicContact CB-CH2 3.55Å; A616-W660 HydrophobicContact CB-CZ2 3.65Å
617	C	62.2	Low	75.9	Confident	44 Å²	44	57.6 Å²	57.6	30%	0.297	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-36.8	168.6	-76.6	0	0	0	0	112.5	F613 H614 A619	F613-C617 WeakPolarHBondContact O-CB 3.24Å; F613-C617 PolarHBondContact O-N 2.84Å; F613-C617 PolarHBondContact O-SG 2.93Å; H614-C617 PolarHBondContact O-N 2.9Å; C617-A619 VanDerWaalsContact C-N 3.33Å
618	L	59.7	Low	75.8	Confident	155 Å²	155	59.8 Å²	59.8	81%	0.812	32%	0.321	S	S	*	.	H	α-helix	trans	-71.2	-27.7	176.4	-68.9	169	0	0	0	113.1	H614 Q615 A616 D620	H614-L618 PolarHBondContact O-N 2.79Å; Q615-L618 PolarHBondContact O-N 2.95Å; A616-L618 VanDerWaalsContact C-N 3.33Å; L618-D620 VanDerWaalsContact C-N 3.35Å
619	A	62.3	Low	75.8	Confident	69 Å²	69	66.5 Å²	66.5	57%	0.57	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.9	-177.2	0	0	0	0	0	114.1	Q615 A616 C617 S621	Q615-A619 PolarHBondContact O-N 3.13Å; A616-A619 PolarHBondContact O-N 3.27Å; C617-A619 VanDerWaalsContact C-N 3.33Å; A619-S621 PolarHBondContact O-N 2.62Å
620	D	65.7	Low	75.9	Confident	129 Å²	129	65.1 Å²	65.1	69%	0.69	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	19	-174.1	-92.9	-29.4	0	0	0	115.7	L618 R656	L618-D620 VanDerWaalsContact C-N 3.35Å; D620-R656 IonicContact OD1-NH2 3.74Å
621	S	65.6	Low	75.9	Confident	23 Å²	23	63.4 Å²	63.4	16%	0.161	35%	0.349	C	S	.	.			trans	-71.7	137.5	-179.7	66.4	0	0	0	0	111.9	A619 F623	A619-S621 PolarHBondContact O-N 2.62Å; S621-F623 PolarHBondContact O-N 2.84Å
622	S	70.5	Confident	75.6	Confident	63 Å²	63	65.2 Å²	65.2	44%	0.441	36%	0.358	S	S	.	.	S	Bend	trans	-71.8	-18.7	174.6	61.4	0	0	0	0	112.7	W660	S622-W660 PolarHBondContact O-NE1 3.32Å
623	F	78.6	Confident	75.6	Confident	11 Å²	11	66.6 Å²	66.6	5%	0.048	36%	0.362	C	S	.	.	S	Bend	trans	-153.9	130.6	178.3	-170.7	-105.9	0	0	0	111.4	S621 H625 W627 L628 L664 F667 F761	S621-F623 PolarHBondContact O-N 2.84Å; F623-H625 PolarHBondContact O-N 2.86Å; F623-W627 HydrophobicContact CD2-CE3 4.4Å; F623-W627 HydrophobicContact CE1-CB 4.15Å; F623-W627 AromaticContact CE2-CE3 3.6Å; F623-W627 HydrophobicContact CE2-CE3 3.6Å; F623-W627 HydrophobicContact CE2-CZ3 4.01Å; F623-W627 HydrophobicContact CZ-CB 4.07Å; F623-W627 AromaticContact CZ-CE3 3.75Å; F623-W627 HydrophobicContact CZ-CE3 3.75Å; F623-L628 HydrophobicContact CD1-CD2 4.46Å; F623-L628 HydrophobicContact CE1-CD2 3.96Å; F623-L628 HydrophobicContact CE1-CG 4.45Å; F623-L664 HydrophobicContact CE2-CB 4.14Å; F623-L664 HydrophobicContact CE2-CD1 4.31Å; F623-L664 HydrophobicContact CZ-CD1 4.37Å; F623-F667 HydrophobicContact CE1-CD1 4.22Å; F623-F667 HydrophobicContact CZ-CB 4.28Å; F623-F667 AromaticContact CZ-CD1 3.74Å; F623-F667 HydrophobicContact CZ-CD1 3.74Å; F623-F667 HydrophobicContact CZ-CE1 4.44Å; F623-F667 HydrophobicContact CZ-CG 4.28Å; F623-F761 HydrophobicContact CB-CE1 4.21Å; F623-F761 HydrophobicContact CD1-CD1 4.1Å; F623-F761 AromaticContact CD1-CE1 3.69Å; F623-F761 HydrophobicContact CD1-CE1 3.69Å; F623-F761 HydrophobicContact CD1-CZ 4.49Å; F623-F761 HydrophobicContact CE1-CD1 4.25Å; F623-F761 HydrophobicContact CE1-CE1 4.18Å; F623-F761 AromaticContact CG-CE1 3.91Å; F623-F761 HydrophobicContact CG-CE1 3.91Å; F623-F761 HydrophobicContact CG-CZ 4.36Å
624	P	81.7	Confident	75.8	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.026	36%	0.364	C	S	.	.			trans	-66.2	121.6	-179.8	-23.1	34.8	0	0	0	113.1	A616 S626 W627 W660	A616-P624 HydrophobicContact CB-CB 4.34Å; A616-P624 HydrophobicContact CB-CG 3.99Å; P624-S626 PolarHBondContact O-N 3.27Å; P624-W627 HydrophobicContact CB-CD2 4.09Å; P624-W627 HydrophobicContact CB-CG 4.01Å; P624-W627 HydrophobicContact CG-CD2 4.06Å; P624-W627 HydrophobicContact CG-CE3 4.49Å; P624-W627 HydrophobicContact CG-CH2 4.33Å; P624-W627 HydrophobicContact CG-CZ2 3.85Å; P624-W627 WeakPolarHBondContact O-CB 3.49Å; P624-W627 PolarHBondContact O-N 3Å; P624-W627 VanDerWaalsContact O-N 3.13Å; P624-W660 HydrophobicContact CG-CD2 4.35Å; P624-W660 HydrophobicContact CG-CE3 4.23Å; P624-W660 HydrophobicContact CG-CH2 3.99Å; P624-W660 HydrophobicContact CG-CZ2 4.05Å; P624-W660 HydrophobicContact CG-CZ3 4.04Å
625	H	81	Confident	76.3	Confident	142 Å²	142	62.4 Å²	62.4	66%	0.657	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-62	-28.9	178.9	-70.4	86.4	0	0	0	113	F623 W627 L628	F623-H625 PolarHBondContact O-N 2.86Å; H625-W627 PolarHBondContact O-N 2.81Å; H625-W627 VanDerWaalsContact O-N 3.14Å; H625-L628 WeakPolarHBondContact O-CB 3.31Å; H625-L628 PolarHBondContact O-N 3.46Å
626	S	82.9	Confident	77.1	Confident	48 Å²	48	57.1 Å²	57.1	34%	0.336	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.9	177.6	64	0	0	0	0	112.9	D612 P624	D612-S626 WeakPolarHBondContact OD2-CB 3.47Å; D612-S626 PolarHBondContact OD2-OG 3.35Å; P624-S626 PolarHBondContact O-N 3.27Å
627	W	87.7	Confident	78.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-79.3	-22.8	-178.5	-65.5	12.5	0	0	0	113	I611 F623 P624 H625 N629 K630 L635 Y638 L642 W660 L664	I611-W627 HydrophobicContact CB-CZ2 3.92Å; I611-W627 WeakPolarHBondContact O-CZ2 3.4Å; I611-W627 PolarHBondContact O-NE1 3.14Å; I611-W627 VanDerWaalsContact O-NE1 3.09Å; F623-W627 HydrophobicContact CD2-CE3 4.4Å; F623-W627 HydrophobicContact CE1-CB 4.15Å; F623-W627 AromaticContact CE2-CE3 3.6Å; F623-W627 HydrophobicContact CE2-CE3 3.6Å; F623-W627 HydrophobicContact CE2-CZ3 4.01Å; F623-W627 HydrophobicContact CZ-CB 4.07Å; F623-W627 AromaticContact CZ-CE3 3.75Å; F623-W627 HydrophobicContact CZ-CE3 3.75Å; P624-W627 HydrophobicContact CB-CD2 4.09Å; P624-W627 HydrophobicContact CB-CG 4.01Å; P624-W627 HydrophobicContact CG-CD2 4.06Å; P624-W627 HydrophobicContact CG-CE3 4.49Å; P624-W627 HydrophobicContact CG-CH2 4.33Å; P624-W627 HydrophobicContact CG-CZ2 3.85Å; P624-W627 WeakPolarHBondContact O-CB 3.49Å; P624-W627 PolarHBondContact O-N 3Å; P624-W627 VanDerWaalsContact O-N 3.13Å; H625-W627 PolarHBondContact O-N 2.81Å; H625-W627 VanDerWaalsContact O-N 3.14Å; W627-N629 PolarHBondContact O-N 3.01Å; W627-N629 VanDerWaalsContact O-N 3.13Å; W627-K630 WeakPolarHBondContact O-CB 3Å; W627-K630 PolarHBondContact O-N 3.33Å; W627-L635 HydrophobicContact CB-CD2 4.12Å; W627-Y638 AromaticContact CD1-CE2 3.73Å; W627-Y638 AromaticContact CD2-CD2 3.8Å; W627-Y638 HydrophobicContact CD2-CD2 3.8Å; W627-Y638 HydrophobicContact CD2-CE2 4.25Å; W627-Y638 AromaticContact CE2-CD2 3.74Å; W627-Y638 HydrophobicContact CE3-CD2 4.34Å; W627-Y638 HydrophobicContact CG-CD2 4.03Å; W627-Y638 HydrophobicContact CG-CE2 4.05Å; W627-Y638 HydrophobicContact CZ2-CD2 4.27Å; W627-Y638 AromaticContact NE1-CD2 3.91Å; W627-Y638 AromaticContact NE1-CE2 3.77Å; W627-L642 HydrophobicContact CH2-CD1 4.02Å; W627-L642 HydrophobicContact CZ3-CD1 4.2Å; W627-W660 AromaticContact CH2-CE3 3.81Å; W627-W660 HydrophobicContact CH2-CE3 3.81Å; W627-W660 HydrophobicContact CH2-CZ3 4.4Å; W627-W660 HydrophobicContact CZ2-CE3 4.14Å; W627-W660 HydrophobicContact CZ2-CZ3 4.27Å; W627-L664 HydrophobicContact CE3-CD1 3.97Å; W627-L664 HydrophobicContact CE3-CD2 4.5Å; W627-L664 HydrophobicContact CZ3-CB 4.32Å; W627-L664 HydrophobicContact CZ3-CD1 4.16Å; W627-L664 HydrophobicContact CZ3-CD2 3.92Å; W627-L664 HydrophobicContact CZ3-CG 4.37Å
628	L	85.4	Confident	79.5	Confident	47 Å²	47	55.1 Å²	55.1	25%	0.246	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.9	-176.7	-66.5	173.7	0	0	0	112.5	F623 H625 F667 R671 F761	F623-L628 HydrophobicContact CD1-CD2 4.46Å; F623-L628 HydrophobicContact CE1-CD2 3.96Å; F623-L628 HydrophobicContact CE1-CG 4.45Å; H625-L628 WeakPolarHBondContact O-CB 3.31Å; H625-L628 PolarHBondContact O-N 3.46Å; L628-F667 HydrophobicContact CD2-CE1 4.44Å; L628-F667 HydrophobicContact CD2-CE2 4.2Å; L628-F667 HydrophobicContact CD2-CZ 4.06Å; L628-R671 PolarHBondContact O-NH2 3.3Å; L628-F761 HydrophobicContact CD2-CB 4.15Å; L628-F761 HydrophobicContact CD2-CD1 4.06Å
629	N	85.2	Confident	80.7	Confident	150 Å²	150	49.1 Å²	49.1	80%	0.802	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-0.6	-179.1	-67.2	-26.3	0	0	0	114.2	W627	W627-N629 PolarHBondContact O-N 3.01Å; W627-N629 VanDerWaalsContact O-N 3.13Å
630	K	87.2	Confident	81.9	Confident	79 Å²	79	46 Å²	46	34%	0.343	24%	0.244	S	C	.	.	S	Bend	trans	-78.8	146.1	-177.5	-63.6	-67.4	-174.3	179.6	0	111.5	W627 T634 L635 Y638	W627-K630 WeakPolarHBondContact O-CB 3Å; W627-K630 PolarHBondContact O-N 3.33Å; K630-T634 HydrophobicContact CB-CG2 4.32Å; K630-T634 HydrophobicContact CD-CG2 4.33Å; K630-T634 HydrophobicContact CG-CG2 4.49Å; K630-L635 HydrophobicContact CB-CD2 4.02Å; K630-L635 HydrophobicContact CB-CG 4.31Å; K630-Y638 HydrophobicContact CG-CE2 4.07Å
631	P	85.1	Confident	82.9	Confident	66 Å²	66	39.9 Å²	39.9	43%	0.429	21%	0.211	S	C	.	.			trans	-68.1	151.5	176.2	29.1	-33.7	0	0	0	110.6	K633 T634 L635	P631-K633 PolarHBondContact O-N 2.86Å; P631-T634 WeakPolarHBondContact CG-OG1 3.22Å; P631-T634 WeakPolarHBondContact O-CA 3.47Å; P631-T634 WeakPolarHBondContact O-CB 3.49Å; P631-T634 PolarHBondContact O-N 2.78Å; P631-L635 PolarHBondContact O-N 3.16Å; P631-L635 VanDerWaalsContact O-N 3.14Å
632	L	81.3	Confident	83.9	Confident	38 Å²	38	38.8 Å²	38.8	20%	0.199	20%	0.203	C	C	.	.	H	α-helix	trans	-52.5	-35.5	-177.4	-172	64.3	0	0	0	113.6	L635 Q636 I668 R671	L632-L635 PolarHBondContact O-N 3.26Å; L632-Q636 WeakPolarHBondContact O-CG 3.36Å; L632-Q636 PolarHBondContact O-N 2.99Å; L632-Q636 VanDerWaalsContact O-N 3.09Å; L632-I668 HydrophobicContact CD1-CB 4.48Å; L632-I668 HydrophobicContact CD1-CG1 4.36Å; L632-I668 HydrophobicContact CD1-CG2 4.1Å; L632-R671 HydrophobicContact CD1-CB 4Å
633	K	79.7	Confident	84.6	Confident	78 Å²	78	37.5 Å²	37.5	34%	0.339	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-43.5	175.6	-62.9	178.8	-176.1	175.1	0	111.8	E569 L572 P631 Q636 I637	E569-K633 PolarHBondContact O-NZ 2.82Å; L572-K633 HydrophobicContact CG-CB 4.33Å; L572-K633 HydrophobicContact CG-CG 4.46Å; P631-K633 PolarHBondContact O-N 2.86Å; K633-Q636 PolarHBondContact O-N 2.83Å; K633-I637 WeakPolarHBondContact O-CG1 3.16Å; K633-I637 PolarHBondContact O-N 2.76Å
634	T	85.8	Confident	84.9	Confident	13 Å²	13	37.4 Å²	37.4	8%	0.08	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-39.8	178.6	-59.6	0	0	0	0	111.1	K630 P631 Q636 I637 Y638	K630-T634 HydrophobicContact CB-CG2 4.32Å; K630-T634 HydrophobicContact CD-CG2 4.33Å; K630-T634 HydrophobicContact CG-CG2 4.49Å; P631-T634 WeakPolarHBondContact CG-OG1 3.22Å; P631-T634 WeakPolarHBondContact O-CA 3.47Å; P631-T634 WeakPolarHBondContact O-CB 3.49Å; P631-T634 PolarHBondContact O-N 2.78Å; T634-Q636 VanDerWaalsContact C-N 3.28Å; T634-Q636 PolarHBondContact O-N 3.02Å; T634-I637 WeakPolarHBondContact O-CA 3.44Å; T634-I637 WeakPolarHBondContact O-CB 3.42Å; T634-I637 PolarHBondContact O-N 3.04Å; T634-Y638 HydrophobicContact CG2-CD1 4.18Å; T634-Y638 HydrophobicContact CG2-CD2 4.48Å; T634-Y638 HydrophobicContact CG2-CE1 3.61Å; T634-Y638 HydrophobicContact CG2-CE2 3.92Å; T634-Y638 VanDerWaalsContact CG2-CZ 3.47Å; T634-Y638 WeakPolarHBondContact O-CD1 3.29Å; T634-Y638 PolarHBondContact O-N 3.44Å
635	L	84.1	Confident	85	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-38.7	175.2	-64.5	176.2	0	0	0	112.3	W627 K630 P631 L632 I637 Y638 R639 L664 F667 I668	W627-L635 HydrophobicContact CB-CD2 4.12Å; K630-L635 HydrophobicContact CB-CD2 4.02Å; K630-L635 HydrophobicContact CB-CG 4.31Å; P631-L635 PolarHBondContact O-N 3.16Å; P631-L635 VanDerWaalsContact O-N 3.14Å; L632-L635 PolarHBondContact O-N 3.26Å; L635-I637 VanDerWaalsContact C-N 3.26Å; L635-I637 PolarHBondContact O-N 2.52Å; L635-Y638 HydrophobicContact CD2-CD2 4.34Å; L635-Y638 PolarHBondContact O-N 3.32Å; L635-R639 WeakPolarHBondContact O-CB 3.27Å; L635-R639 PolarHBondContact O-N 3.45Å; L635-L664 HydrophobicContact CB-CD1 4.19Å; L635-L664 HydrophobicContact CD2-CD1 3.95Å; L635-F667 HydrophobicContact CD1-CD1 3.73Å; L635-F667 HydrophobicContact CD1-CE1 3.4Å; L635-F667 VanDerWaalsContact CD1-CE1 3.4Å; L635-F667 HydrophobicContact CD1-CZ 4.21Å; L635-F667 HydrophobicContact CD2-CD1 4.26Å; L635-F667 HydrophobicContact CD2-CE1 4Å; L635-F667 HydrophobicContact CG-CE1 4.36Å; L635-I668 HydrophobicContact CB-CD1 4.12Å; L635-I668 HydrophobicContact CB-CG1 3.98Å; L635-I668 HydrophobicContact CD1-CG1 4.44Å
636	Q	85.1	Confident	85	Confident	33 Å²	33	32.5 Å²	32.5	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-30.9	174.3	-69.6	-70.4	-1.7	0	0	112.8	L572 L632 K633 T634 F640	L572-Q636 HydrophobicContact CD1-CB 3.83Å; L572-Q636 HydrophobicContact CD1-CG 4.01Å; L572-Q636 HydrophobicContact CD2-CB 4.32Å; L632-Q636 WeakPolarHBondContact O-CG 3.36Å; L632-Q636 PolarHBondContact O-N 2.99Å; L632-Q636 VanDerWaalsContact O-N 3.09Å; K633-Q636 PolarHBondContact O-N 2.83Å; T634-Q636 VanDerWaalsContact C-N 3.28Å; T634-Q636 PolarHBondContact O-N 3.02Å; Q636-F640 PolarHBondContact O-N 3.26Å
637	I	86.3	Confident	84.9	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-73.8	-40	174.8	-61.9	171.3	0	0	0	110.3	I565 F566 L572 K575 K633 T634 L635 R639 F640 I641	I565-I637 HydrophobicContact CG2-CG2 3.79Å; I565-I637 WeakPolarHBondContact O-CD1 3.26Å; F566-I637 HydrophobicContact CE1-CG2 4.12Å; L572-I637 HydrophobicContact CD2-CD1 4.26Å; L572-I637 HydrophobicContact CD2-CG1 3.88Å; K575-I637 HydrophobicContact CD-CD1 3.84Å; K633-I637 WeakPolarHBondContact O-CG1 3.16Å; K633-I637 PolarHBondContact O-N 2.76Å; T634-I637 WeakPolarHBondContact O-CA 3.44Å; T634-I637 WeakPolarHBondContact O-CB 3.42Å; T634-I637 PolarHBondContact O-N 3.04Å; L635-I637 VanDerWaalsContact C-N 3.26Å; L635-I637 PolarHBondContact O-N 2.52Å; I637-R639 VanDerWaalsContact C-N 3.32Å; I637-R639 PolarHBondContact O-N 3.35Å; I637-F640 VanDerWaalsContact O-CB 3.29Å; I637-F640 WeakPolarHBondContact O-CB 3.45Å; I637-F640 PolarHBondContact O-N 3.38Å; I637-F640 VanDerWaalsContact O-N 3.17Å; I637-I641 HydrophobicContact CG2-CD1 4.24Å; I637-I641 WeakPolarHBondContact O-CG1 3.32Å; I637-I641 PolarHBondContact O-N 3.07Å
638	Y	89.1	Confident	84.4	Confident	8 Å²	8	36.8 Å²	36.8	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-43.3	174.1	-62.8	-9.1	0	0	0	110.9	F566 K610 I611 W627 K630 T634 L635 F640 I641 L642	F566-Y638 HydrophobicContact CE1-CE1 4.33Å; K610-Y638 PolarHBondContact O-OH 2.58Å; I611-Y638 HydrophobicContact CG2-CD1 3.61Å; I611-Y638 HydrophobicContact CG2-CE1 3.96Å; I611-Y638 HydrophobicContact CG2-CG 4.01Å; W627-Y638 AromaticContact CD1-CE2 3.73Å; W627-Y638 AromaticContact CD2-CD2 3.8Å; W627-Y638 HydrophobicContact CD2-CD2 3.8Å; W627-Y638 HydrophobicContact CD2-CE2 4.25Å; W627-Y638 AromaticContact CE2-CD2 3.74Å; W627-Y638 HydrophobicContact CE3-CD2 4.34Å; W627-Y638 HydrophobicContact CG-CD2 4.03Å; W627-Y638 HydrophobicContact CG-CE2 4.05Å; W627-Y638 HydrophobicContact CZ2-CD2 4.27Å; W627-Y638 AromaticContact NE1-CD2 3.91Å; W627-Y638 AromaticContact NE1-CE2 3.77Å; K630-Y638 HydrophobicContact CG-CE2 4.07Å; T634-Y638 HydrophobicContact CG2-CD1 4.18Å; T634-Y638 HydrophobicContact CG2-CD2 4.48Å; T634-Y638 HydrophobicContact CG2-CE1 3.61Å; T634-Y638 HydrophobicContact CG2-CE2 3.92Å; T634-Y638 VanDerWaalsContact CG2-CZ 3.47Å; T634-Y638 WeakPolarHBondContact O-CD1 3.29Å; T634-Y638 PolarHBondContact O-N 3.44Å; L635-Y638 HydrophobicContact CD2-CD2 4.34Å; L635-Y638 PolarHBondContact O-N 3.32Å; Y638-F640 VanDerWaalsContact C-N 3.25Å; Y638-F640 PolarHBondContact O-N 2.62Å; Y638-I641 PolarHBondContact O-N 2.72Å; Y638-I641 VanDerWaalsContact O-N 3.12Å; Y638-L642 WeakPolarHBondContact O-CG 3.46Å; Y638-L642 PolarHBondContact O-N 2.63Å
639	R	85.6	Confident	84	Confident	29 Å²	29	41.2 Å²	41.2	11%	0.109	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-42.3	173	-168.6	-169.7	175.6	-69.7	-8.6	111.6	L635 I637 L642 C643 L664 D665 I668	L635-R639 WeakPolarHBondContact O-CB 3.27Å; L635-R639 PolarHBondContact O-N 3.45Å; I637-R639 VanDerWaalsContact C-N 3.32Å; I637-R639 PolarHBondContact O-N 3.35Å; R639-L642 PolarHBondContact O-N 3.49Å; R639-C643 PolarHBondContact O-N 2.79Å; R639-C643 PolarHBondContact O-SG 3.37Å; R639-L664 VanDerWaalsContact CA-CD2 3.47Å; R639-L664 HydrophobicContact CB-CD2 3.59Å; R639-L664 HydrophobicContact CB-CG 4.42Å; R639-L664 HydrophobicContact CG-CD2 4.22Å; R639-D665 VanDerWaalsContact CD-OD1 3.28Å; R639-D665 WeakPolarHBondContact CD-OD1 3.48Å; R639-D665 IonicContact CZ-OD1 3.8Å; R639-D665 IonicContact NE-OD1 3.84Å; R639-D665 PolarHBondContact NE-OD1 2.86Å; R639-D665 IonicContact NE-OD2 3.43Å; R639-D665 IonicContact NH2-OD1 3.47Å; R639-D665 IonicContact NH2-OD2 2.87Å; R639-D665 PolarHBondContact NH2-OD2 3Å; R639-I668 HydrophobicContact CB-CD1 4.19Å; R639-I668 HydrophobicContact CG-CD1 4.47Å
640	F	85.4	Confident	83.7	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-46.4	174.9	178.7	-115.4	0	0	0	113.6	L105 L579 L582 I583 Q636 I637 Y638 L642 C643 M644	L105-F640 HydrophobicContact CB-CD2 3.76Å; L105-F640 HydrophobicContact CB-CE2 4.17Å; L105-F640 HydrophobicContact CD1-CB 3.54Å; L105-F640 HydrophobicContact CD1-CD2 3.67Å; L105-F640 HydrophobicContact CD1-CG 4.07Å; L105-F640 HydrophobicContact CD2-CB 4.03Å; L105-F640 HydrophobicContact CD2-CD2 3.08Å; L105-F640 HydrophobicContact CD2-CE2 3.48Å; L105-F640 VanDerWaalsContact CD2-CE2 3.48Å; L105-F640 HydrophobicContact CD2-CG 3.74Å; L105-F640 HydrophobicContact CD2-CZ 4.43Å; L105-F640 HydrophobicContact CG-CB 4.32Å; L105-F640 HydrophobicContact CG-CD2 3.6Å; L105-F640 HydrophobicContact CG-CE2 4.26Å; L105-F640 HydrophobicContact CG-CG 4.36Å; L579-F640 HydrophobicContact CB-CD1 4.48Å; L579-F640 HydrophobicContact CB-CE1 3.78Å; L579-F640 HydrophobicContact CB-CZ 3.81Å; L579-F640 HydrophobicContact CD2-CD1 3.65Å; L579-F640 HydrophobicContact CD2-CE1 3.67Å; L579-F640 HydrophobicContact CD2-CG 4.46Å; L579-F640 HydrophobicContact CD2-CZ 4.49Å; L579-F640 HydrophobicContact CG-CE1 4.25Å; L579-F640 WeakPolarHBondContact O-CZ 3.32Å; L582-F640 HydrophobicContact CD2-CD1 4.46Å; L582-F640 HydrophobicContact CD2-CE1 4.1Å; I583-F640 HydrophobicContact CD1-CE2 3.7Å; I583-F640 HydrophobicContact CD1-CZ 3.44Å; I583-F640 VanDerWaalsContact CD1-CZ 3.44Å; I583-F640 HydrophobicContact CG1-CE1 4.25Å; I583-F640 HydrophobicContact CG1-CE2 4.03Å; I583-F640 HydrophobicContact CG1-CZ 3.41Å; I583-F640 VanDerWaalsContact CG1-CZ 3.41Å; Q636-F640 PolarHBondContact O-N 3.26Å; I637-F640 VanDerWaalsContact O-CB 3.29Å; I637-F640 WeakPolarHBondContact O-CB 3.45Å; I637-F640 PolarHBondContact O-N 3.38Å; I637-F640 VanDerWaalsContact O-N 3.17Å; Y638-F640 VanDerWaalsContact C-N 3.25Å; Y638-F640 PolarHBondContact O-N 2.62Å; F640-L642 VanDerWaalsContact C-N 3.3Å; F640-L642 PolarHBondContact O-N 3.2Å; F640-C643 WeakPolarHBondContact O-CB 3.04Å; F640-C643 PolarHBondContact O-N 2.96Å; F640-C643 VanDerWaalsContact O-N 3.08Å; F640-M644 HydrophobicContact CD1-CE 4.02Å; F640-M644 HydrophobicContact CE1-CE 3.93Å; F640-M644 HydrophobicContact CE1-SD 4Å; F640-M644 HydrophobicContact CZ-SD 4.25Å; F640-M644 PolarHBondContact O-N 3.44Å
641	I	87.6	Confident	83.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-42.8	177.5	-64.2	163.8	0	0	0	110.1	F566 W586 C607 I611 I637 Y638 C643 M644 L645	F566-I641 HydrophobicContact CE1-CD1 4.12Å; F566-I641 HydrophobicContact CZ-CD1 3.97Å; W586-I641 HydrophobicContact CH2-CG2 4.27Å; C607-I641 HydrophobicContact CB-CD1 4.12Å; C607-I641 HydrophobicContact CB-CG1 4.47Å; C607-I641 HydrophobicContact CB-CG2 4.2Å; I611-I641 HydrophobicContact CD1-CG2 3.96Å; I611-I641 HydrophobicContact CG2-CD1 3.77Å; I611-I641 HydrophobicContact CG2-CG2 4.44Å; I637-I641 HydrophobicContact CG2-CD1 4.24Å; I637-I641 WeakPolarHBondContact O-CG1 3.32Å; I637-I641 PolarHBondContact O-N 3.07Å; Y638-I641 PolarHBondContact O-N 2.72Å; Y638-I641 VanDerWaalsContact O-N 3.12Å; I641-C643 VanDerWaalsContact C-N 3.3Å; I641-C643 PolarHBondContact O-N 3.45Å; I641-M644 HydrophobicContact CB-CE 4.42Å; I641-M644 HydrophobicContact CG1-CE 4.18Å; I641-M644 WeakPolarHBondContact O-CB 3.22Å; I641-M644 PolarHBondContact O-N 3.11Å; I641-M644 VanDerWaalsContact O-N 3.08Å; I641-L645 HydrophobicContact CG2-CD1 4.04Å; I641-L645 HydrophobicContact CG2-CG 4.45Å; I641-L645 WeakPolarHBondContact O-CG 3.26Å; I641-L645 PolarHBondContact O-N 3.47Å
642	L	86	Confident	83.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-36.5	174	-65.5	176.3	0	0	0	112.6	W627 Y638 R639 F640 M644 L645 N646 A657 W660 M661 L664	W627-L642 HydrophobicContact CH2-CD1 4.02Å; W627-L642 HydrophobicContact CZ3-CD1 4.2Å; Y638-L642 WeakPolarHBondContact O-CG 3.46Å; Y638-L642 PolarHBondContact O-N 2.63Å; R639-L642 PolarHBondContact O-N 3.49Å; F640-L642 VanDerWaalsContact C-N 3.3Å; F640-L642 PolarHBondContact O-N 3.2Å; L642-M644 VanDerWaalsContact C-N 3.27Å; L642-M644 PolarHBondContact O-N 3.23Å; L642-L645 HydrophobicContact CD2-CD1 4.27Å; L642-L645 PolarHBondContact O-N 2.84Å; L642-N646 PolarHBondContact O-N 3.5Å; L642-A657 HydrophobicContact CD2-CB 4.15Å; L642-W660 HydrophobicContact CD1-CB 4.01Å; L642-W660 HydrophobicContact CD2-CB 4.29Å; L642-W660 HydrophobicContact CD2-CE3 4.18Å; L642-M661 HydrophobicContact CB-CB 4.46Å; L642-M661 HydrophobicContact CB-CE 3.83Å; L642-M661 HydrophobicContact CD1-CB 4.31Å; L642-M661 VanDerWaalsContact O-CE 3.27Å; L642-M661 WeakPolarHBondContact O-CE 3.47Å; L642-L664 HydrophobicContact CD1-CD2 3.81Å
643	C	86.1	Confident	83.4	Confident	36 Å²	36	38.9 Å²	38.9	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-34.9	174.4	-67.9	0	0	0	0	112.6	R639 F640 I641 M661	R639-C643 PolarHBondContact O-N 2.79Å; R639-C643 PolarHBondContact O-SG 3.37Å; F640-C643 WeakPolarHBondContact O-CB 3.04Å; F640-C643 PolarHBondContact O-N 2.96Å; F640-C643 VanDerWaalsContact O-N 3.08Å; I641-C643 VanDerWaalsContact C-N 3.3Å; I641-C643 PolarHBondContact O-N 3.45Å; C643-M661 HydrophobicContact CB-CE 4.32Å
644	M	83.7	Confident	83.6	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-71.9	-42.7	173.6	-61.6	-172.6	-65.7	0	0	111.2	L582 I583 W586 F640 I641 L642 N646 K647	L582-M644 HydrophobicContact CD2-CE 3.65Å; L582-M644 HydrophobicContact CG-CE 3.9Å; L582-M644 HydrophobicContact CG-SD 4.39Å; I583-M644 HydrophobicContact CB-SD 4.48Å; I583-M644 HydrophobicContact CG1-CG 4.48Å; I583-M644 HydrophobicContact CG1-SD 3.78Å; W586-M644 HydrophobicContact CB-SD 4.33Å; W586-M644 HydrophobicContact CD2-CB 4.37Å; W586-M644 HydrophobicContact CD2-CE 4.07Å; W586-M644 HydrophobicContact CD2-SD 4.08Å; W586-M644 HydrophobicContact CE3-CE 3.68Å; W586-M644 HydrophobicContact CE3-SD 4.17Å; W586-M644 HydrophobicContact CG-SD 4.16Å; W586-M644 HydrophobicContact CH2-CE 4.39Å; W586-M644 HydrophobicContact CZ3-CE 3.85Å; F640-M644 HydrophobicContact CD1-CE 4.02Å; F640-M644 HydrophobicContact CE1-CE 3.93Å; F640-M644 HydrophobicContact CE1-SD 4Å; F640-M644 HydrophobicContact CZ-SD 4.25Å; F640-M644 PolarHBondContact O-N 3.44Å; I641-M644 HydrophobicContact CB-CE 4.42Å; I641-M644 HydrophobicContact CG1-CE 4.18Å; I641-M644 WeakPolarHBondContact O-CB 3.22Å; I641-M644 PolarHBondContact O-N 3.11Å; I641-M644 VanDerWaalsContact O-N 3.08Å; L642-M644 VanDerWaalsContact C-N 3.27Å; L642-M644 PolarHBondContact O-N 3.23Å; M644-N646 VanDerWaalsContact C-N 3.28Å; M644-N646 PolarHBondContact O-N 2.69Å; M644-K647 PolarHBondContact O-N 2.83Å
645	L	85.2	Confident	83.5	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-26	177.2	-66.8	170	0	0	0	113.5	W586 L608 I611 F613 I641 L642 K647 D648 I653 A657	W586-L645 HydrophobicContact CH2-CD2 4.4Å; W586-L645 HydrophobicContact CZ2-CD2 3.72Å; W586-L645 HydrophobicContact CZ2-CG 4.23Å; L608-L645 HydrophobicContact CD2-CD1 3.97Å; L608-L645 HydrophobicContact CD2-CD2 3.97Å; I611-L645 HydrophobicContact CD1-CD1 4Å; F613-L645 HydrophobicContact CD2-CD1 4.29Å; F613-L645 HydrophobicContact CE2-CD1 4.16Å; I641-L645 HydrophobicContact CG2-CD1 4.04Å; I641-L645 HydrophobicContact CG2-CG 4.45Å; I641-L645 WeakPolarHBondContact O-CG 3.26Å; I641-L645 PolarHBondContact O-N 3.47Å; L642-L645 HydrophobicContact CD2-CD1 4.27Å; L642-L645 PolarHBondContact O-N 2.84Å; L645-K647 PolarHBondContact O-N 3.2Å; L645-D648 WeakPolarHBondContact O-CB 3.42Å; L645-D648 PolarHBondContact O-N 3.3Å; L645-D648 VanDerWaalsContact O-N 3.08Å; L645-I653 HydrophobicContact CB-CG2 4.32Å; L645-I653 HydrophobicContact CD2-CG2 3.8Å; L645-A657 HydrophobicContact CB-CB 3.72Å
646	N	80.8	Confident	83.5	Confident	42 Å²	42	44 Å²	44	23%	0.225	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15	171.8	-93.7	15.8	0	0	0	113.6	L642 M644 A657 Q658 M661	L642-N646 PolarHBondContact O-N 3.5Å; M644-N646 VanDerWaalsContact C-N 3.28Å; M644-N646 PolarHBondContact O-N 2.69Å; N646-A657 WeakPolarHBondContact OD1-CB 3.49Å; N646-Q658 WeakPolarHBondContact OD1-CA 3.47Å; N646-Q658 PolarHBondContact OD1-N 2.73Å; N646-M661 HydrophobicContact CB-CE 4.13Å; N646-M661 VanDerWaalsContact CG-CE 3.43Å; N646-M661 WeakPolarHBondContact ND2-CE 3.35Å
647	K	79.6	Confident	83.6	Confident	120 Å²	120	42.4 Å²	42.4	52%	0.522	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	12	175.8	-59.2	-171.2	175.1	-156.1	0	112.5	M644 L645	M644-K647 PolarHBondContact O-N 2.83Å; L645-K647 PolarHBondContact O-N 3.2Å
648	D	78	Confident	83.6	Confident	19 Å²	19	47.7 Å²	47.7	10%	0.102	25%	0.25	C	C	.	.			trans	-69.1	154.5	179.4	-148	-59.8	0	0	0	111.4	R604 L645 D650 I653	R604-D648 IonicContact CZ-OD2 2.94Å; R604-D648 IonicContact NE-OD2 3.7Å; R604-D648 VanDerWaalsContact NH2-CG 3.27Å; R604-D648 IonicContact NH2-OD1 2.63Å; R604-D648 PolarHBondContact NH2-OD1 3.13Å; R604-D648 IonicContact NH2-OD2 3.22Å; R604-D648 PolarHBondContact NH2-OD2 2.93Å; L645-D648 WeakPolarHBondContact O-CB 3.42Å; L645-D648 PolarHBondContact O-N 3.3Å; L645-D648 VanDerWaalsContact O-N 3.08Å; D648-D650 VanDerWaalsContact C-N 3.35Å; D648-D650 PolarHBondContact OD1-N 2.89Å; D648-I653 HydrophobicContact CB-CG2 4.33Å
649	T	76.3	Confident	83.3	Confident	139 Å²	139	51.3 Å²	51.3	85%	0.853	27%	0.269	S	S	*	.	S	Bend	trans	-75.6	-25.6	176	53	0	0	0	0	112.5
650	D	79.6	Confident	83.4	Confident	70 Å²	70	49.9 Å²	49.9	37%	0.374	26%	0.264	S	S	.	.			trans	-83.4	113.6	177.8	-173.4	-22.1	0	0	0	111.1	D648 S652 I653 K654	D648-D650 VanDerWaalsContact C-N 3.35Å; D648-D650 PolarHBondContact OD1-N 2.89Å; D650-S652 VanDerWaalsContact CG-OG 3.26Å; D650-S652 PolarHBondContact O-N 2.85Å; D650-S652 VanDerWaalsContact OD1-CB 3.31Å; D650-S652 WeakPolarHBondContact OD1-CB 2.82Å; D650-S652 PolarHBondContact OD1-N 2.94Å; D650-S652 PolarHBondContact OD1-OG 3.14Å; D650-S652 PolarHBondContact OD2-OG 3.4Å; D650-I653 HydrophobicContact CB-CB 4.17Å; D650-I653 HydrophobicContact CB-CD1 3.94Å; D650-I653 HydrophobicContact CB-CG1 4.03Å; D650-I653 PolarHBondContact O-N 2.89Å; D650-K654 WeakPolarHBondContact O-CB 3.26Å; D650-K654 PolarHBondContact O-N 3.46Å
651	E	83.3	Confident	83.4	Confident	116 Å²	116	50.9 Å²	50.9	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-26.9	179.6	-74	-63	152	0	0	113.5	K654 S655	E651-K654 IonicContact OE1-NZ 3.98Å; E651-K654 PolarHBondContact OE1-NZ 2.92Å; E651-K654 IonicContact OE2-NZ 3.77Å; E651-K654 PolarHBondContact OE2-NZ 2.76Å; E651-S655 VanDerWaalsContact O-CB 3.29Å; E651-S655 WeakPolarHBondContact O-CB 3.31Å; E651-S655 PolarHBondContact O-N 3.12Å; E651-S655 PolarHBondContact O-OG 3.28Å
652	S	81.9	Confident	83.3	Confident	74 Å²	74	54.8 Å²	54.8	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-70.2	-42.6	176.6	73.9	0	0	0	0	111.6	D650 S655 R656	D650-S652 VanDerWaalsContact CG-OG 3.26Å; D650-S652 PolarHBondContact O-N 2.85Å; D650-S652 VanDerWaalsContact OD1-CB 3.31Å; D650-S652 WeakPolarHBondContact OD1-CB 2.82Å; D650-S652 PolarHBondContact OD1-N 2.94Å; D650-S652 PolarHBondContact OD1-OG 3.14Å; D650-S652 PolarHBondContact OD2-OG 3.4Å; S652-S655 PolarHBondContact O-OG 2.76Å; S652-S655 VanDerWaalsContact O-OG 3.11Å; S652-R656 WeakPolarHBondContact O-CB 3.5Å; S652-R656 PolarHBondContact O-N 2.94Å
653	I	82.6	Confident	83.3	Confident	25 Å²	25	55.6 Å²	55.6	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-46.8	176.1	-64.5	179.7	0	0	0	109.7	F613 L645 D648 D650 R656 A657	F613-I653 HydrophobicContact CE1-CG1 4.32Å; F613-I653 HydrophobicContact CE1-CG2 4.37Å; F613-I653 HydrophobicContact CZ-CB 4.42Å; F613-I653 HydrophobicContact CZ-CG2 3.92Å; L645-I653 HydrophobicContact CB-CG2 4.32Å; L645-I653 HydrophobicContact CD2-CG2 3.8Å; D648-I653 HydrophobicContact CB-CG2 4.33Å; D650-I653 HydrophobicContact CB-CB 4.17Å; D650-I653 HydrophobicContact CB-CD1 3.94Å; D650-I653 HydrophobicContact CB-CG1 4.03Å; D650-I653 PolarHBondContact O-N 2.89Å; I653-R656 PolarHBondContact O-N 2.82Å; I653-A657 VanDerWaalsContact O-CB 3.29Å; I653-A657 WeakPolarHBondContact O-CB 3.13Å; I653-A657 PolarHBondContact O-N 3.19Å
654	K	83.4	Confident	83.3	Confident	65 Å²	65	53.9 Å²	53.9	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-47.7	-178.7	175.8	177.3	162.9	-158.2	0	112.9	D650 E651 R656 A657 Q658	D650-K654 WeakPolarHBondContact O-CB 3.26Å; D650-K654 PolarHBondContact O-N 3.46Å; E651-K654 IonicContact OE1-NZ 3.98Å; E651-K654 PolarHBondContact OE1-NZ 2.92Å; E651-K654 IonicContact OE2-NZ 3.77Å; E651-K654 PolarHBondContact OE2-NZ 2.76Å; K654-R656 PolarHBondContact O-N 2.76Å; K654-A657 PolarHBondContact O-N 3.32Å; K654-Q658 PolarHBondContact O-N 2.85Å
655	S	84.8	Confident	83.3	Confident	69 Å²	69	55.2 Å²	55.2	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-41	178.6	57.1	0	0	0	0	112.3	E651 S652 Q658 L659	E651-S655 VanDerWaalsContact O-CB 3.29Å; E651-S655 WeakPolarHBondContact O-CB 3.31Å; E651-S655 PolarHBondContact O-N 3.12Å; E651-S655 PolarHBondContact O-OG 3.28Å; S652-S655 PolarHBondContact O-OG 2.76Å; S652-S655 VanDerWaalsContact O-OG 3.11Å; S655-Q658 PolarHBondContact O-N 3.19Å; S655-L659 PolarHBondContact O-N 2.71Å; S655-L659 VanDerWaalsContact O-N 3.14Å
656	R	83.4	Confident	83.2	Confident	63 Å²	63	56.7 Å²	56.7	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-42.5	175	-172.7	65.3	63.2	143.4	3.8	112	F613 D620 S652 I653 K654 Q658 L659 W660	F613-R656 HydrophobicContact CZ-CB 4.46Å; F613-R656 HydrophobicContact CZ-CG 4.39Å; D620-R656 IonicContact OD1-NH2 3.74Å; S652-R656 WeakPolarHBondContact O-CB 3.5Å; S652-R656 PolarHBondContact O-N 2.94Å; I653-R656 PolarHBondContact O-N 2.82Å; K654-R656 PolarHBondContact O-N 2.76Å; R656-Q658 VanDerWaalsContact C-N 3.29Å; R656-Q658 PolarHBondContact O-N 2.74Å; R656-L659 WeakPolarHBondContact O-CB 3.33Å; R656-L659 PolarHBondContact O-N 3.22Å; R656-W660 HydrophobicContact CG-CD2 4.37Å; R656-W660 HydrophobicContact CG-CZ2 4.22Å; R656-W660 PolarHBondContact O-N 2.98Å
657	A	86.1	Confident	83.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-40.7	176.7	0	0	0	0	0	111.7	L642 L645 N646 I653 K654 W660 M661	L642-A657 HydrophobicContact CD2-CB 4.15Å; L645-A657 HydrophobicContact CB-CB 3.72Å; N646-A657 WeakPolarHBondContact OD1-CB 3.49Å; I653-A657 VanDerWaalsContact O-CB 3.29Å; I653-A657 WeakPolarHBondContact O-CB 3.13Å; I653-A657 PolarHBondContact O-N 3.19Å; K654-A657 PolarHBondContact O-N 3.32Å; A657-W660 PolarHBondContact O-N 2.84Å; A657-M661 WeakPolarHBondContact O-CB 3.16Å; A657-M661 PolarHBondContact O-N 3.47Å
658	Q	86.1	Confident	83.6	Confident	113 Å²	113	49.4 Å²	49.4	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-40.7	177.4	-172.8	174.1	-1.5	0	0	112.6	N646 K654 S655 R656 M661 T662	N646-Q658 WeakPolarHBondContact OD1-CA 3.47Å; N646-Q658 PolarHBondContact OD1-N 2.73Å; K654-Q658 PolarHBondContact O-N 2.85Å; S655-Q658 PolarHBondContact O-N 3.19Å; R656-Q658 VanDerWaalsContact C-N 3.29Å; R656-Q658 PolarHBondContact O-N 2.74Å; Q658-M661 PolarHBondContact O-N 2.8Å; Q658-T662 PolarHBondContact O-N 2.96Å; Q658-T662 PolarHBondContact O-OG1 3.45Å
659	L	84.4	Confident	83.8	Confident	84 Å²	84	52 Å²	52	44%	0.44	28%	0.28	S	S	.	.	H	α-helix	trans	-59.9	-52.3	173.8	-176	79.1	0	0	0	110.7	S655 R656 M661 T662 S663	S655-L659 PolarHBondContact O-N 2.71Å; S655-L659 VanDerWaalsContact O-N 3.14Å; R656-L659 WeakPolarHBondContact O-CB 3.33Å; R656-L659 PolarHBondContact O-N 3.22Å; L659-M661 VanDerWaalsContact C-N 3.31Å; L659-M661 PolarHBondContact O-N 3.42Å; L659-T662 PolarHBondContact O-N 3.48Å; L659-S663 PolarHBondContact O-N 3.48Å
660	W	87.6	Confident	84.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-34.5	-179.6	-74.6	5.1	0	0	0	112.8	F613 A616 S622 P624 W627 L642 R656 A657 T662 S663 L664	F613-W660 HydrophobicContact CD2-CE3 4.2Å; F613-W660 HydrophobicContact CD2-CH2 4Å; F613-W660 AromaticContact CD2-CZ3 3.48Å; F613-W660 HydrophobicContact CD2-CZ3 3.48Å; F613-W660 VanDerWaalsContact CD2-CZ3 3.48Å; F613-W660 HydrophobicContact CE2-CE3 4.35Å; F613-W660 HydrophobicContact CE2-CH2 4.43Å; F613-W660 AromaticContact CE2-CZ3 3.97Å; F613-W660 HydrophobicContact CE2-CZ3 3.97Å; F613-W660 HydrophobicContact CG-CH2 4.47Å; F613-W660 HydrophobicContact CG-CZ3 4.27Å; A616-W660 HydrophobicContact CB-CH2 3.55Å; A616-W660 HydrophobicContact CB-CZ2 3.65Å; S622-W660 PolarHBondContact O-NE1 3.32Å; P624-W660 HydrophobicContact CG-CD2 4.35Å; P624-W660 HydrophobicContact CG-CE3 4.23Å; P624-W660 HydrophobicContact CG-CH2 3.99Å; P624-W660 HydrophobicContact CG-CZ2 4.05Å; P624-W660 HydrophobicContact CG-CZ3 4.04Å; W627-W660 AromaticContact CH2-CE3 3.81Å; W627-W660 HydrophobicContact CH2-CE3 3.81Å; W627-W660 HydrophobicContact CH2-CZ3 4.4Å; W627-W660 HydrophobicContact CZ2-CE3 4.14Å; W627-W660 HydrophobicContact CZ2-CZ3 4.27Å; L642-W660 HydrophobicContact CD1-CB 4.01Å; L642-W660 HydrophobicContact CD2-CB 4.29Å; L642-W660 HydrophobicContact CD2-CE3 4.18Å; R656-W660 HydrophobicContact CG-CD2 4.37Å; R656-W660 HydrophobicContact CG-CZ2 4.22Å; R656-W660 PolarHBondContact O-N 2.98Å; A657-W660 PolarHBondContact O-N 2.84Å; W660-T662 VanDerWaalsContact C-N 3.33Å; W660-T662 PolarHBondContact O-N 3.27Å; W660-S663 PolarHBondContact O-N 3.39Å; W660-L664 WeakPolarHBondContact O-CB 3.43Å; W660-L664 PolarHBondContact O-N 3.43Å
661	M	85.7	Confident	84.3	Confident	24 Å²	24	45.4 Å²	45.4	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-42	177	-172	-178.2	-59.6	0	0	111.3	L642 C643 N646 A657 Q658 L659 L664 D665	L642-M661 HydrophobicContact CB-CB 4.46Å; L642-M661 HydrophobicContact CB-CE 3.83Å; L642-M661 HydrophobicContact CD1-CB 4.31Å; L642-M661 VanDerWaalsContact O-CE 3.27Å; L642-M661 WeakPolarHBondContact O-CE 3.47Å; C643-M661 HydrophobicContact CB-CE 4.32Å; N646-M661 HydrophobicContact CB-CE 4.13Å; N646-M661 VanDerWaalsContact CG-CE 3.43Å; N646-M661 WeakPolarHBondContact ND2-CE 3.35Å; A657-M661 WeakPolarHBondContact O-CB 3.16Å; A657-M661 PolarHBondContact O-N 3.47Å; Q658-M661 PolarHBondContact O-N 2.8Å; L659-M661 VanDerWaalsContact C-N 3.31Å; L659-M661 PolarHBondContact O-N 3.42Å; M661-L664 PolarHBondContact O-N 3.43Å; M661-D665 WeakPolarHBondContact O-CB 2.94Å; M661-D665 PolarHBondContact O-N 2.85Å
662	T	84.2	Confident	84.3	Confident	81 Å²	81	43.6 Å²	43.6	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-46.5	176.8	-53.1	0	0	0	0	111.2	Q658 L659 W660 D665 N666	Q658-T662 PolarHBondContact O-N 2.96Å; Q658-T662 PolarHBondContact O-OG1 3.45Å; L659-T662 PolarHBondContact O-N 3.48Å; W660-T662 VanDerWaalsContact C-N 3.33Å; W660-T662 PolarHBondContact O-N 3.27Å; T662-D665 PolarHBondContact O-N 2.91Å; T662-N666 PolarHBondContact O-N 2.98Å; T662-N666 VanDerWaalsContact O-N 3.17Å; T662-N666 PolarHBondContact O-ND2 3.33Å
663	S	86	Confident	84.3	Confident	17 Å²	17	42 Å²	42	12%	0.119	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-41.5	176.4	-63.2	0	0	0	0	112.4	L659 W660 N666 F667	L659-S663 PolarHBondContact O-N 3.48Å; W660-S663 PolarHBondContact O-N 3.39Å; S663-N666 PolarHBondContact O-N 2.94Å; S663-F667 PolarHBondContact O-N 3.43Å
664	L	85.9	Confident	84.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.6	-40.6	178.8	-179.1	60.4	0	0	0	112.1	F623 W627 L635 R639 L642 W660 M661 N666 F667 I668	F623-L664 HydrophobicContact CE2-CB 4.14Å; F623-L664 HydrophobicContact CE2-CD1 4.31Å; F623-L664 HydrophobicContact CZ-CD1 4.37Å; W627-L664 HydrophobicContact CE3-CD1 3.97Å; W627-L664 HydrophobicContact CE3-CD2 4.5Å; W627-L664 HydrophobicContact CZ3-CB 4.32Å; W627-L664 HydrophobicContact CZ3-CD1 4.16Å; W627-L664 HydrophobicContact CZ3-CD2 3.92Å; W627-L664 HydrophobicContact CZ3-CG 4.37Å; L635-L664 HydrophobicContact CB-CD1 4.19Å; L635-L664 HydrophobicContact CD2-CD1 3.95Å; R639-L664 VanDerWaalsContact CA-CD2 3.47Å; R639-L664 HydrophobicContact CB-CD2 3.59Å; R639-L664 HydrophobicContact CB-CG 4.42Å; R639-L664 HydrophobicContact CG-CD2 4.22Å; L642-L664 HydrophobicContact CD1-CD2 3.81Å; W660-L664 WeakPolarHBondContact O-CB 3.43Å; W660-L664 PolarHBondContact O-N 3.43Å; M661-L664 PolarHBondContact O-N 3.43Å; L664-N666 VanDerWaalsContact C-N 3.33Å; L664-F667 HydrophobicContact CD1-CD1 4.41Å; L664-F667 PolarHBondContact O-N 3.33Å; L664-I668 HydrophobicContact CD1-CD1 4Å; L664-I668 HydrophobicContact CD1-CG1 4.09Å; L664-I668 HydrophobicContact CD2-CD1 4.42Å; L664-I668 HydrophobicContact CG-CD1 3.82Å; L664-I668 HydrophobicContact CG-CG1 4.32Å; L664-I668 WeakPolarHBondContact O-CB 3.37Å; L664-I668 WeakPolarHBondContact O-CG1 3.31Å; L664-I668 PolarHBondContact O-N 2.79Å
665	D	84.2	Confident	84.2	Confident	39 Å²	39	45.5 Å²	45.5	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-44.2	175.9	-81.8	-11	0	0	0	110.8	R639 M661 T662 F667 I668 Q669	R639-D665 VanDerWaalsContact CD-OD1 3.28Å; R639-D665 WeakPolarHBondContact CD-OD1 3.48Å; R639-D665 IonicContact CZ-OD1 3.8Å; R639-D665 IonicContact NE-OD1 3.84Å; R639-D665 PolarHBondContact NE-OD1 2.86Å; R639-D665 IonicContact NE-OD2 3.43Å; R639-D665 IonicContact NH2-OD1 3.47Å; R639-D665 IonicContact NH2-OD2 2.87Å; R639-D665 PolarHBondContact NH2-OD2 3Å; M661-D665 WeakPolarHBondContact O-CB 2.94Å; M661-D665 PolarHBondContact O-N 2.85Å; T662-D665 PolarHBondContact O-N 2.91Å; D665-F667 PolarHBondContact O-N 3.01Å; D665-I668 PolarHBondContact O-N 3.14Å; D665-Q669 WeakPolarHBondContact O-CB 3.42Å; D665-Q669 WeakPolarHBondContact O-CG 3.24Å; D665-Q669 PolarHBondContact O-N 2.9Å
666	N	83.7	Confident	84	Confident	30 Å²	30	44.8 Å²	44.8	16%	0.16	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-44.5	172.9	-72.7	-19.2	0	0	0	112	T662 S663 L664 Q669 Q670 Y758 F761	T662-N666 PolarHBondContact O-N 2.98Å; T662-N666 VanDerWaalsContact O-N 3.17Å; T662-N666 PolarHBondContact O-ND2 3.33Å; S663-N666 PolarHBondContact O-N 2.94Å; L664-N666 VanDerWaalsContact C-N 3.33Å; N666-Q669 PolarHBondContact O-N 2.82Å; N666-Q670 VanDerWaalsContact O-CG 3.29Å; N666-Q670 WeakPolarHBondContact O-CG 3.38Å; N666-Q670 PolarHBondContact O-N 2.99Å; N666-Y758 HydrophobicContact CB-CE1 4.31Å; N666-Y758 PolarHBondContact OD1-OH 3.11Å; N666-F761 HydrophobicContact CB-CE2 4.29Å
667	F	86.1	Confident	84.1	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-44.5	178.5	179.4	-139	0	0	0	112.9	F623 L628 L635 S663 L664 D665 Q669 Q670 R671 F761 V762	F623-F667 HydrophobicContact CE1-CD1 4.22Å; F623-F667 HydrophobicContact CZ-CB 4.28Å; F623-F667 AromaticContact CZ-CD1 3.74Å; F623-F667 HydrophobicContact CZ-CD1 3.74Å; F623-F667 HydrophobicContact CZ-CE1 4.44Å; F623-F667 HydrophobicContact CZ-CG 4.28Å; L628-F667 HydrophobicContact CD2-CE1 4.44Å; L628-F667 HydrophobicContact CD2-CE2 4.2Å; L628-F667 HydrophobicContact CD2-CZ 4.06Å; L635-F667 HydrophobicContact CD1-CD1 3.73Å; L635-F667 HydrophobicContact CD1-CE1 3.4Å; L635-F667 VanDerWaalsContact CD1-CE1 3.4Å; L635-F667 HydrophobicContact CD1-CZ 4.21Å; L635-F667 HydrophobicContact CD2-CD1 4.26Å; L635-F667 HydrophobicContact CD2-CE1 4Å; L635-F667 HydrophobicContact CG-CE1 4.36Å; S663-F667 PolarHBondContact O-N 3.43Å; L664-F667 HydrophobicContact CD1-CD1 4.41Å; L664-F667 PolarHBondContact O-N 3.33Å; D665-F667 PolarHBondContact O-N 3.01Å; F667-Q669 VanDerWaalsContact C-N 3.32Å; F667-Q669 PolarHBondContact O-N 3.06Å; F667-Q670 PolarHBondContact O-N 2.54Å; F667-R671 HydrophobicContact CD2-CG 4.02Å; F667-R671 HydrophobicContact CE2-CG 3.66Å; F667-R671 HydrophobicContact CZ-CG 3.97Å; F667-R671 WeakPolarHBondContact O-CG 3.26Å; F667-R671 PolarHBondContact O-N 3.3Å; F667-F761 HydrophobicContact CB-CB 4.39Å; F667-F761 HydrophobicContact CB-CD2 3.8Å; F667-F761 HydrophobicContact CB-CE2 4.28Å; F667-F761 HydrophobicContact CB-CG 4.13Å; F667-F761 HydrophobicContact CD2-CB 3.38Å; F667-F761 HydrophobicContact CD2-CD2 4.37Å; F667-F761 HydrophobicContact CD2-CG 4.02Å; F667-F761 HydrophobicContact CE2-CB 3.88Å; F667-F761 HydrophobicContact CG-CB 4.13Å; F667-F761 HydrophobicContact CG-CD2 4.44Å; F667-F761 HydrophobicContact CG-CG 4.29Å; F667-V762 HydrophobicContact CD2-CG2 4.35Å; F667-V762 HydrophobicContact CE2-CG2 4.01Å
668	I	83.3	Confident	84	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.046	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-44.5	176.5	-76.2	172.5	0	0	0	110.2	L632 L635 R639 L664 D665 R671 H672	L632-I668 HydrophobicContact CD1-CB 4.48Å; L632-I668 HydrophobicContact CD1-CG1 4.36Å; L632-I668 HydrophobicContact CD1-CG2 4.1Å; L635-I668 HydrophobicContact CB-CD1 4.12Å; L635-I668 HydrophobicContact CB-CG1 3.98Å; L635-I668 HydrophobicContact CD1-CG1 4.44Å; R639-I668 HydrophobicContact CB-CD1 4.19Å; R639-I668 HydrophobicContact CG-CD1 4.47Å; L664-I668 HydrophobicContact CD1-CD1 4Å; L664-I668 HydrophobicContact CD1-CG1 4.09Å; L664-I668 HydrophobicContact CD2-CD1 4.42Å; L664-I668 HydrophobicContact CG-CD1 3.82Å; L664-I668 HydrophobicContact CG-CG1 4.32Å; L664-I668 WeakPolarHBondContact O-CB 3.37Å; L664-I668 WeakPolarHBondContact O-CG1 3.31Å; L664-I668 PolarHBondContact O-N 2.79Å; D665-I668 PolarHBondContact O-N 3.14Å; I668-R671 PolarHBondContact O-N 3Å; I668-H672 PolarHBondContact O-CD2 2.81Å; I668-H672 PolarHBondContact O-N 2.9Å
669	Q	81.6	Confident	83.6	Confident	72 Å²	72	45.4 Å²	45.4	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-48.4	175.2	-72	169.7	16.7	0	0	111.5	D665 N666 F667 R671 H672 L673	D665-Q669 WeakPolarHBondContact O-CB 3.42Å; D665-Q669 WeakPolarHBondContact O-CG 3.24Å; D665-Q669 PolarHBondContact O-N 2.9Å; N666-Q669 PolarHBondContact O-N 2.82Å; F667-Q669 VanDerWaalsContact C-N 3.32Å; F667-Q669 PolarHBondContact O-N 3.06Å; Q669-R671 VanDerWaalsContact C-N 3.34Å; Q669-R671 PolarHBondContact O-N 3.21Å; Q669-H672 WeakPolarHBondContact O-CB 3.44Å; Q669-H672 PolarHBondContact O-N 2.88Å; Q669-H672 VanDerWaalsContact O-N 3.13Å; Q669-L673 WeakPolarHBondContact O-CG 3.21Å; Q669-L673 PolarHBondContact O-N 2.83Å
670	Q	84.9	Confident	83.4	Confident	5 Å²	5	41.8 Å²	41.8	2%	0.023	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-42.1	176.8	-72	174.8	27.4	0	0	112.3	N666 F667 H672 L673 E674 I759 V762 L765	N666-Q670 VanDerWaalsContact O-CG 3.29Å; N666-Q670 WeakPolarHBondContact O-CG 3.38Å; N666-Q670 PolarHBondContact O-N 2.99Å; F667-Q670 PolarHBondContact O-N 2.54Å; Q670-H672 PolarHBondContact O-N 2.69Å; Q670-L673 PolarHBondContact O-N 2.79Å; Q670-E674 WeakPolarHBondContact O-CB 3.24Å; Q670-E674 PolarHBondContact O-N 3.26Å; Q670-I759 PolarHBondContact NE2-O 2.72Å; Q670-V762 HydrophobicContact CB-CG2 3.95Å; Q670-L765 HydrophobicContact CB-CD2 3.84Å; Q670-L765 HydrophobicContact CG-CD2 3.76Å
671	R	82.1	Confident	83.1	Confident	67 Å²	67	45.1 Å²	45.1	25%	0.253	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-36.5	174.5	-74.5	-63.5	-156.9	170	2.3	113	L628 L632 F667 I668 Q669 E674 R675 V762	L628-R671 PolarHBondContact O-NH2 3.3Å; L632-R671 HydrophobicContact CD1-CB 4Å; F667-R671 HydrophobicContact CD2-CG 4.02Å; F667-R671 HydrophobicContact CE2-CG 3.66Å; F667-R671 HydrophobicContact CZ-CG 3.97Å; F667-R671 WeakPolarHBondContact O-CG 3.26Å; F667-R671 PolarHBondContact O-N 3.3Å; I668-R671 PolarHBondContact O-N 3Å; Q669-R671 VanDerWaalsContact C-N 3.34Å; Q669-R671 PolarHBondContact O-N 3.21Å; R671-E674 WeakPolarHBondContact CD-OE2 3.26Å; R671-E674 IonicContact CZ-OE2 3.65Å; R671-E674 IonicContact NE-OE2 3.55Å; R671-E674 IonicContact NH1-OE1 2.65Å; R671-E674 IonicContact NH1-OE2 3.88Å; R671-E674 PolarHBondContact NH1-OE2 2.94Å; R671-R675 WeakPolarHBondContact O-CB 3.26Å; R671-R675 PolarHBondContact O-N 2.88Å; R671-V762 HydrophobicContact CG-CG2 4.39Å
672	H	82.1	Confident	82.8	Confident	77 Å²	77	49.6 Å²	49.6	36%	0.356	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-43.8	173.6	-85.7	-75.8	0	0	0	111.6	I668 Q669 Q670 R675 C676	I668-H672 PolarHBondContact O-CD2 2.81Å; I668-H672 PolarHBondContact O-N 2.9Å; Q669-H672 WeakPolarHBondContact O-CB 3.44Å; Q669-H672 PolarHBondContact O-N 2.88Å; Q669-H672 VanDerWaalsContact O-N 3.13Å; Q670-H672 PolarHBondContact O-N 2.69Å; H672-R675 PolarHBondContact O-N 2.97Å; H672-C676 WeakPolarHBondContact O-CB 3.47Å; H672-C676 PolarHBondContact O-N 2.61Å; H672-C676 PolarHBondContact O-SG 3.1Å; H672-C676 VanDerWaalsContact O-SG 3.33Å
673	L	82.5	Confident	82.2	Confident	41 Å²	41	50.6 Å²	50.6	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-49.4	174.4	-68	174.2	0	0	0	111.4	Q669 Q670 R675 C676 Y677 M698 L765	Q669-L673 WeakPolarHBondContact O-CG 3.21Å; Q669-L673 PolarHBondContact O-N 2.83Å; Q670-L673 PolarHBondContact O-N 2.79Å; L673-R675 VanDerWaalsContact C-N 3.29Å; L673-R675 PolarHBondContact O-N 2.95Å; L673-C676 PolarHBondContact O-N 2.93Å; L673-C676 VanDerWaalsContact O-N 3.14Å; L673-Y677 HydrophobicContact CB-CE2 4.1Å; L673-Y677 WeakPolarHBondContact O-CB 3.31Å; L673-Y677 WeakPolarHBondContact O-CD2 3.45Å; L673-Y677 VanDerWaalsContact O-CG 3.23Å; L673-Y677 PolarHBondContact O-N 3.26Å; L673-M698 HydrophobicContact CD2-CE 3.41Å; L673-M698 VanDerWaalsContact CD2-CE 3.41Å; L673-L765 HydrophobicContact CB-CD1 4.03Å
674	E	83.1	Confident	81.2	Confident	13 Å²	13	53.6 Å²	53.6	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-52.1	-48.4	175.2	-175.4	-163.9	171.6	0	0	111.1	Q670 R671 Y677 R678 V762 L765 L768	Q670-E674 WeakPolarHBondContact O-CB 3.24Å; Q670-E674 PolarHBondContact O-N 3.26Å; R671-E674 WeakPolarHBondContact CD-OE2 3.26Å; R671-E674 IonicContact CZ-OE2 3.65Å; R671-E674 IonicContact NE-OE2 3.55Å; R671-E674 IonicContact NH1-OE1 2.65Å; R671-E674 IonicContact NH1-OE2 3.88Å; R671-E674 PolarHBondContact NH1-OE2 2.94Å; E674-Y677 PolarHBondContact O-N 2.82Å; E674-R678 WeakPolarHBondContact O-CB 3.43Å; E674-R678 WeakPolarHBondContact O-CG 3.18Å; E674-R678 PolarHBondContact O-N 2.87Å; E674-R678 IonicContact OE1-CZ 2.93Å; E674-R678 IonicContact OE1-NE 2.75Å; E674-R678 IonicContact OE1-NH1 2.69Å; E674-R678 PolarHBondContact OE1-NH1 3.02Å; E674-R678 IonicContact OE1-NH2 3.03Å; E674-R678 PolarHBondContact OE1-NH2 3.03Å; E674-V762 HydrophobicContact CB-CG1 4.36Å; E674-V762 HydrophobicContact CG-CG1 4.13Å; E674-L765 HydrophobicContact CB-CD1 4.22Å; E674-L768 HydrophobicContact CG-CD2 4.08Å
675	R	81.1	Confident	80	Confident	150 Å²	150	56.1 Å²	56.1	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-63.1	-45.8	178	-178.2	-179.6	175.5	-168.7	-2.3	112.1	R671 H672 L673 R678 L679	R671-R675 WeakPolarHBondContact O-CB 3.26Å; R671-R675 PolarHBondContact O-N 2.88Å; H672-R675 PolarHBondContact O-N 2.97Å; L673-R675 VanDerWaalsContact C-N 3.29Å; L673-R675 PolarHBondContact O-N 2.95Å; R675-R678 PolarHBondContact O-N 3.44Å; R675-L679 HydrophobicContact CG-CD1 4.06Å; R675-L679 WeakPolarHBondContact O-CB 3.16Å; R675-L679 VanDerWaalsContact O-CG 3.29Å; R675-L679 WeakPolarHBondContact O-CG 3.46Å; R675-L679 PolarHBondContact O-N 3.21Å
676	C	80.8	Confident	79.2	Confident	55 Å²	55	56 Å²	56	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-59.9	-46.1	177.7	-76.5	0	0	0	0	111.3	H672 L673 L679 F680 M698	H672-C676 WeakPolarHBondContact O-CB 3.47Å; H672-C676 PolarHBondContact O-N 2.61Å; H672-C676 PolarHBondContact O-SG 3.1Å; H672-C676 VanDerWaalsContact O-SG 3.33Å; L673-C676 PolarHBondContact O-N 2.93Å; L673-C676 VanDerWaalsContact O-N 3.14Å; C676-L679 PolarHBondContact O-N 3.26Å; C676-F680 WeakPolarHBondContact O-CB 3.46Å; C676-F680 PolarHBondContact O-N 2.92Å; C676-M698 HydrophobicContact CB-CE 4.25Å
677	Y	84.3	Confident	78.1	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-48.9	177.2	-67.7	-18.1	0	0	0	112.2	L673 E674 L679 F680 L681 V695 M698 A699 T702 L765 L768 A769 V772	L673-Y677 HydrophobicContact CB-CE2 4.1Å; L673-Y677 WeakPolarHBondContact O-CB 3.31Å; L673-Y677 WeakPolarHBondContact O-CD2 3.45Å; L673-Y677 VanDerWaalsContact O-CG 3.23Å; L673-Y677 PolarHBondContact O-N 3.26Å; E674-Y677 PolarHBondContact O-N 2.82Å; Y677-L679 VanDerWaalsContact C-N 3.29Å; Y677-L679 PolarHBondContact O-N 2.94Å; Y677-F680 PolarHBondContact O-N 2.87Å; Y677-L681 WeakPolarHBondContact O-CG 3.24Å; Y677-L681 PolarHBondContact O-N 3.21Å; Y677-V695 HydrophobicContact CD1-CG1 4.32Å; Y677-M698 HydrophobicContact CE1-CB 4.08Å; Y677-M698 PolarHBondContact OH-O 3.28Å; Y677-A699 HydrophobicContact CE1-CB 4.29Å; Y677-A699 VanDerWaalsContact OH-CA 3.31Å; Y677-A699 WeakPolarHBondContact OH-CA 3.49Å; Y677-A699 PolarHBondContact OH-N 2.84Å; Y677-T702 HydrophobicContact CE2-CG2 4.49Å; Y677-T702 PolarHBondContact OH-OG1 2.9Å; Y677-L765 HydrophobicContact CD2-CD1 3.95Å; Y677-L765 HydrophobicContact CE2-CD1 3.88Å; Y677-L768 HydrophobicContact CD2-CD2 4.06Å; Y677-L768 HydrophobicContact CD2-CG 4.12Å; Y677-L768 HydrophobicContact CG-CD2 4.35Å; Y677-L768 HydrophobicContact CG-CG 4.37Å; Y677-A769 HydrophobicContact CD2-CB 4.45Å; Y677-A769 HydrophobicContact CE2-CB 3.85Å; Y677-V772 HydrophobicContact CD1-CB 4.32Å; Y677-V772 HydrophobicContact CD1-CG1 3.81Å; Y677-V772 HydrophobicContact CD1-CG2 4.39Å; Y677-V772 HydrophobicContact CE1-CG1 4.34Å; Y677-V772 HydrophobicContact CG-CB 4.42Å; Y677-V772 HydrophobicContact CG-CG1 4.38Å; Y677-V772 HydrophobicContact CG-CG2 4.18Å
678	R	84.1	Confident	76.9	Confident	124 Å²	124	69.9 Å²	69.9	47%	0.468	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-34.4	176.2	-74.1	-175.7	174.3	161.2	4.4	113	E674 R675 L768	E674-R678 WeakPolarHBondContact O-CB 3.43Å; E674-R678 WeakPolarHBondContact O-CG 3.18Å; E674-R678 PolarHBondContact O-N 2.87Å; E674-R678 IonicContact OE1-CZ 2.93Å; E674-R678 IonicContact OE1-NE 2.75Å; E674-R678 IonicContact OE1-NH1 2.69Å; E674-R678 PolarHBondContact OE1-NH1 3.02Å; E674-R678 IonicContact OE1-NH2 3.03Å; E674-R678 PolarHBondContact OE1-NH2 3.03Å; R675-R678 PolarHBondContact O-N 3.44Å; R678-L768 HydrophobicContact CG-CD1 4.37Å; R678-L768 HydrophobicContact CG-CD2 4.03Å
679	L	78.6	Confident	75.5	Confident	65 Å²	65	71.1 Å²	71.1	34%	0.34	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-43.5	174.2	-77.4	171.3	0	0	0	111.6	R675 C676 Y677 L681 K682 V685	R675-L679 HydrophobicContact CG-CD1 4.06Å; R675-L679 WeakPolarHBondContact O-CB 3.16Å; R675-L679 VanDerWaalsContact O-CG 3.29Å; R675-L679 WeakPolarHBondContact O-CG 3.46Å; R675-L679 PolarHBondContact O-N 3.21Å; C676-L679 PolarHBondContact O-N 3.26Å; Y677-L679 VanDerWaalsContact C-N 3.29Å; Y677-L679 PolarHBondContact O-N 2.94Å; L679-L681 VanDerWaalsContact C-N 3.3Å; L679-L681 PolarHBondContact O-N 3.13Å; L679-K682 HydrophobicContact CD2-CD 4.38Å; L679-K682 VanDerWaalsContact O-CB 3.32Å; L679-K682 WeakPolarHBondContact O-CB 3.08Å; L679-K682 PolarHBondContact O-N 3.47Å; L679-K682 VanDerWaalsContact O-N 3.08Å; L679-V685 VanDerWaalsContact O-CB 3.32Å; L679-V685 WeakPolarHBondContact O-CB 3.02Å; L679-V685 WeakPolarHBondContact O-CG2 3.34Å
680	F	79.8	Confident	74.5	Confident	8 Å²	8	75 Å²	75	4%	0.035	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-35.5	177.4	-177.8	-98.2	0	0	0	112.8	C676 Y677 K682 Q686 D691 V695 V772 L775 A776 L779	C676-F680 WeakPolarHBondContact O-CB 3.46Å; C676-F680 PolarHBondContact O-N 2.92Å; Y677-F680 PolarHBondContact O-N 2.87Å; F680-K682 PolarHBondContact O-N 3.28Å; F680-Q686 WeakPolarHBondContact O-CG 3.36Å; F680-D691 HydrophobicContact CE2-CB 4.44Å; F680-V695 HydrophobicContact CB-CG1 4.27Å; F680-V695 HydrophobicContact CB-CG2 4.45Å; F680-V695 HydrophobicContact CD1-CG1 3.85Å; F680-V695 HydrophobicContact CD2-CB 4.19Å; F680-V695 HydrophobicContact CD2-CG1 4.15Å; F680-V695 HydrophobicContact CD2-CG2 3.81Å; F680-V695 HydrophobicContact CE1-CG1 4.19Å; F680-V695 HydrophobicContact CE2-CB 4.31Å; F680-V695 HydrophobicContact CE2-CG1 4.46Å; F680-V695 HydrophobicContact CE2-CG2 4.27Å; F680-V695 HydrophobicContact CG-CB 4.37Å; F680-V695 HydrophobicContact CG-CG1 3.82Å; F680-V695 HydrophobicContact CG-CG2 4.16Å; F680-V695 HydrophobicContact CZ-CG1 4.48Å; F680-V772 HydrophobicContact CD1-CG1 3.96Å; F680-V772 HydrophobicContact CE1-CG1 4.43Å; F680-L775 HydrophobicContact CE1-CD2 4.39Å; F680-A776 HydrophobicContact CE1-CB 3.96Å; F680-A776 HydrophobicContact CZ-CB 3.98Å; F680-L779 HydrophobicContact CE1-CD1 4.29Å; F680-L779 HydrophobicContact CZ-CD1 3.95Å
681	L	82	Confident	73.7	Confident	69 Å²	69	77.2 Å²	77.2	36%	0.361	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.9	174.3	-70	177.6	0	0	0	113.4	Y677 L679 S683 L768 V772 L775	Y677-L681 WeakPolarHBondContact O-CG 3.24Å; Y677-L681 PolarHBondContact O-N 3.21Å; L679-L681 VanDerWaalsContact C-N 3.3Å; L679-L681 PolarHBondContact O-N 3.13Å; L681-S683 PolarHBondContact O-N 3.07Å; L681-L768 HydrophobicContact CD1-CD1 3.54Å; L681-V772 HydrophobicContact CD1-CG2 4.08Å; L681-V772 HydrophobicContact CD2-CG2 3.72Å; L681-V772 HydrophobicContact CG-CG2 3.69Å; L681-L775 HydrophobicContact CD2-CD2 3.66Å
682	K	79.3	Confident	73.2	Confident	119 Å²	119	74.1 Å²	74.1	52%	0.517	36%	0.359	S	S	.	.	S	Bend	trans	-73.2	123.3	172.2	-61.2	-176.8	179.3	-174	0	109.5	L679 F680 S684 V685	L679-K682 HydrophobicContact CD2-CD 4.38Å; L679-K682 VanDerWaalsContact O-CB 3.32Å; L679-K682 WeakPolarHBondContact O-CB 3.08Å; L679-K682 PolarHBondContact O-N 3.47Å; L679-K682 VanDerWaalsContact O-N 3.08Å; F680-K682 PolarHBondContact O-N 3.28Å; K682-S684 PolarHBondContact O-N 2.74Å; K682-V685 HydrophobicContact CB-CG2 4.08Å; K682-V685 PolarHBondContact O-N 3.11Å
683	S	70.1	Confident	72.7	Confident	102 Å²	102	72.1 Å²	72.1	71%	0.713	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-52	-33.2	179	54.7	0	0	0	0	113.8	L681 V685	L681-S683 PolarHBondContact O-N 3.07Å; S683-V685 VanDerWaalsContact C-N 3.29Å; S683-V685 PolarHBondContact O-N 3.27Å
684	S	66.4	Low	72.3	Confident	79 Å²	79	73 Å²	73	55%	0.552	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-70.4	-16.5	179	59.6	0	0	0	0	115.5	K682 R687	K682-S684 PolarHBondContact O-N 2.74Å; S684-R687 PolarHBondContact O-NE 2.91Å; S684-R687 VanDerWaalsContact O-NE 3.13Å
685	V	60	Low	72.2	Confident	54 Å²	54	73.1 Å²	73.1	33%	0.327	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-99.1	-12.9	-176.6	-178.6	0	0	0	0	111.9	L679 K682 S683 R687	L679-V685 VanDerWaalsContact O-CB 3.32Å; L679-V685 WeakPolarHBondContact O-CB 3.02Å; L679-V685 WeakPolarHBondContact O-CG2 3.34Å; K682-V685 HydrophobicContact CB-CG2 4.08Å; K682-V685 PolarHBondContact O-N 3.11Å; S683-V685 VanDerWaalsContact C-N 3.29Å; S683-V685 PolarHBondContact O-N 3.27Å; V685-R687 PolarHBondContact O-N 3.36Å
686	Q	68.2	Low	72.1	Confident	36 Å²	36	66.1 Å²	66.1	17%	0.168	33%	0.331	C	S	.	.			trans	-72.3	51.7	-176.3	-63.1	172.1	-2.3	0	0	113.1	F680 L779 R783	F680-Q686 WeakPolarHBondContact O-CG 3.36Å; Q686-L779 HydrophobicContact CB-CD1 4.4Å; Q686-L779 HydrophobicContact CG-CD1 4.11Å; Q686-R783 VanDerWaalsContact O-CZ 3.29Å; Q686-R783 PolarHBondContact O-NH1 2.89Å; Q686-R783 PolarHBondContact O-NH2 3.45Å
687	R	60.6	Low	71.9	Confident	199 Å²	199	65.7 Å²	65.7	75%	0.751	32%	0.324	S	S	*	.			trans	-84.5	-37.7	-160.7	-66.3	-178.2	-175.8	-171.9	-1.6	114.8	S684 V685	S684-R687 PolarHBondContact O-NE 2.91Å; S684-R687 VanDerWaalsContact O-NE 3.13Å; V685-R687 PolarHBondContact O-N 3.36Å
688	Q	60.3	Low	71.8	Confident	123 Å²	123	67.4 Å²	67.4	58%	0.575	33%	0.332	S	S	*	.			trans	-135.6	159.7	-172.4	-61	-175	-7.4	0	0	115.4	R690 D691	Q688-R690 VanDerWaalsContact C-N 3.3Å; Q688-R690 PolarHBondContact O-N 3.39Å; Q688-D691 PolarHBondContact N-OD2 2.92Å; Q688-D691 WeakPolarHBondContact O-CB 3.15Å; Q688-D691 PolarHBondContact O-N 2.64Å
689	A	53.7	Low	71.8	Confident	35 Å²	35	61.5 Å²	61.5	29%	0.289	31%	0.31	S	S	.	.	H	α-helix	trans	-53.8	-45.1	175.6	0	0	0	0	0	113.3	D691 C692 L693 F784	A689-D691 PolarHBondContact O-N 3.05Å; A689-C692 WeakPolarHBondContact O-CB 3.28Å; A689-C692 PolarHBondContact O-N 3.24Å; A689-C692 VanDerWaalsContact O-N 3.12Å; A689-L693 PolarHBondContact O-N 3.31Å; A689-F784 HydrophobicContact CB-CE1 4.21Å; A689-F784 HydrophobicContact CB-CE2 3.48Å; A689-F784 VanDerWaalsContact CB-CE2 3.48Å; A689-F784 HydrophobicContact CB-CZ 3.16Å
690	R	60.9	Low	71.9	Confident	153 Å²	153	60.1 Å²	60.1	58%	0.577	30%	0.304	S	S	*	.	H	α-helix	trans	-61.8	-35.8	-176.3	-171.2	179.3	-179.1	-176.1	1	111.1	Q688 L694	Q688-R690 VanDerWaalsContact C-N 3.3Å; Q688-R690 PolarHBondContact O-N 3.39Å; R690-L694 VanDerWaalsContact O-CB 3.29Å; R690-L694 WeakPolarHBondContact O-CB 3.32Å; R690-L694 PolarHBondContact O-N 3.17Å
691	D	67.8	Low	71.9	Confident	53 Å²	53	63 Å²	63	28%	0.283	32%	0.32	S	S	.	.	H	α-helix	trans	-65	-41.4	177.2	-51.8	-28.8	0	0	0	110.5	F680 Q688 A689 V695	F680-D691 HydrophobicContact CE2-CB 4.44Å; Q688-D691 PolarHBondContact N-OD2 2.92Å; Q688-D691 WeakPolarHBondContact O-CB 3.15Å; Q688-D691 PolarHBondContact O-N 2.64Å; A689-D691 PolarHBondContact O-N 3.05Å; D691-V695 WeakPolarHBondContact O-CB 3.28Å; D691-V695 WeakPolarHBondContact O-CG2 3.42Å; D691-V695 PolarHBondContact O-N 3.43Å
692	C	72.6	Confident	71.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-45.6	-179.2	-57.8	0	0	0	0	111.7	A689 S696	A689-C692 WeakPolarHBondContact O-CB 3.28Å; A689-C692 PolarHBondContact O-N 3.24Å; A689-C692 VanDerWaalsContact O-N 3.12Å; C692-S696 WeakPolarHBondContact O-CB 3.21Å; C692-S696 PolarHBondContact O-N 3.17Å
693	L	71.5	Confident	72	Confident	36 Å²	36	56.5 Å²	56.5	19%	0.188	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-48.1	177.4	-73.6	174.4	0	0	0	111.7	A689 V695 S696 Q697 Y780 I791	A689-L693 PolarHBondContact O-N 3.31Å; L693-V695 PolarHBondContact O-N 2.94Å; L693-S696 PolarHBondContact O-N 3.32Å; L693-Q697 WeakPolarHBondContact O-CB 3.35Å; L693-Q697 VanDerWaalsContact O-CG 3.29Å; L693-Q697 WeakPolarHBondContact O-CG 3.46Å; L693-Q697 PolarHBondContact O-N 3.19Å; L693-Y780 HydrophobicContact CD1-CE2 3.93Å; L693-Y780 HydrophobicContact CD2-CD2 3.82Å; L693-Y780 HydrophobicContact CD2-CE2 3.59Å; L693-Y780 HydrophobicContact CG-CD2 3.94Å; L693-Y780 HydrophobicContact CG-CE2 3.77Å; L693-I791 HydrophobicContact CD2-CG2 4.25Å
694	L	74.3	Confident	72.4	Confident	60 Å²	60	55.2 Å²	55.2	31%	0.314	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-48.7	179.5	178.6	67.8	0	0	0	111.3	R690 Q697 M698	R690-L694 VanDerWaalsContact O-CB 3.29Å; R690-L694 WeakPolarHBondContact O-CB 3.32Å; R690-L694 PolarHBondContact O-N 3.17Å; L694-Q697 PolarHBondContact O-N 3.13Å; L694-M698 HydrophobicContact CG-SD 4.14Å; L694-M698 VanDerWaalsContact O-CG 3.29Å; L694-M698 WeakPolarHBondContact O-CG 3.28Å; L694-M698 PolarHBondContact O-N 3.05Å
695	V	79.5	Confident	72.9	Confident	14 Å²	14	54.3 Å²	54.3	9%	0.085	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-38.8	-178.5	170.4	0	0	0	0	111.3	Y677 F680 D691 L693 Q697 M698 A699 V772	Y677-V695 HydrophobicContact CD1-CG1 4.32Å; F680-V695 HydrophobicContact CB-CG1 4.27Å; F680-V695 HydrophobicContact CB-CG2 4.45Å; F680-V695 HydrophobicContact CD1-CG1 3.85Å; F680-V695 HydrophobicContact CD2-CB 4.19Å; F680-V695 HydrophobicContact CD2-CG1 4.15Å; F680-V695 HydrophobicContact CD2-CG2 3.81Å; F680-V695 HydrophobicContact CE1-CG1 4.19Å; F680-V695 HydrophobicContact CE2-CB 4.31Å; F680-V695 HydrophobicContact CE2-CG1 4.46Å; F680-V695 HydrophobicContact CE2-CG2 4.27Å; F680-V695 HydrophobicContact CG-CB 4.37Å; F680-V695 HydrophobicContact CG-CG1 3.82Å; F680-V695 HydrophobicContact CG-CG2 4.16Å; F680-V695 HydrophobicContact CZ-CG1 4.48Å; D691-V695 WeakPolarHBondContact O-CB 3.28Å; D691-V695 WeakPolarHBondContact O-CG2 3.42Å; D691-V695 PolarHBondContact O-N 3.43Å; L693-V695 PolarHBondContact O-N 2.94Å; V695-Q697 VanDerWaalsContact C-N 3.35Å; V695-Q697 PolarHBondContact O-N 2.73Å; V695-M698 PolarHBondContact O-N 3.37Å; V695-A699 WeakPolarHBondContact O-CB 3.34Å; V695-A699 PolarHBondContact O-N 3.05Å; V695-V772 HydrophobicContact CG1-CG1 3.07Å
696	S	80.6	Confident	73.7	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-45.7	172.8	-178.9	0	0	0	0	111.4	C692 L693 A699 T700 H773	C692-S696 WeakPolarHBondContact O-CB 3.21Å; C692-S696 PolarHBondContact O-N 3.17Å; L693-S696 PolarHBondContact O-N 3.32Å; S696-A699 PolarHBondContact O-N 2.85Å; S696-T700 PolarHBondContact O-N 2.78Å; S696-T700 PolarHBondContact O-OG1 2.8Å; S696-H773 PolarHBondContact O-ND1 3.45Å; S696-H773 PolarHBondContact OG-CE1 3.26Å; S696-H773 VanDerWaalsContact OG-CE1 3.31Å; S696-H773 PolarHBondContact OG-ND1 2.77Å; S696-H773 VanDerWaalsContact OG-ND1 3.08Å
697	Q	76.4	Confident	73.5	Confident	47 Å²	47	59 Å²	59	22%	0.22	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-44.5	177.9	-73.8	171.3	-17.4	0	0	112.5	L693 L694 V695 A699 T700 L701	L693-Q697 WeakPolarHBondContact O-CB 3.35Å; L693-Q697 VanDerWaalsContact O-CG 3.29Å; L693-Q697 WeakPolarHBondContact O-CG 3.46Å; L693-Q697 PolarHBondContact O-N 3.19Å; L694-Q697 PolarHBondContact O-N 3.13Å; V695-Q697 VanDerWaalsContact C-N 3.35Å; V695-Q697 PolarHBondContact O-N 2.73Å; Q697-A699 VanDerWaalsContact C-N 3.26Å; Q697-A699 PolarHBondContact O-N 3.16Å; Q697-T700 PolarHBondContact O-N 3.49Å; Q697-L701 WeakPolarHBondContact O-CG 3.19Å; Q697-L701 PolarHBondContact O-N 3.29Å
698	M	81.2	Confident	73	Confident	36 Å²	36	53 Å²	53	18%	0.177	26%	0.262	C	S	.	.	H	α-helix	trans	-56.2	-44.4	173.5	-70.2	170.8	67.3	0	0	110.9	L673 C676 Y677 L694 V695 L701 T702	L673-M698 HydrophobicContact CD2-CE 3.41Å; L673-M698 VanDerWaalsContact CD2-CE 3.41Å; C676-M698 HydrophobicContact CB-CE 4.25Å; Y677-M698 HydrophobicContact CE1-CB 4.08Å; Y677-M698 PolarHBondContact OH-O 3.28Å; L694-M698 HydrophobicContact CG-SD 4.14Å; L694-M698 VanDerWaalsContact O-CG 3.29Å; L694-M698 WeakPolarHBondContact O-CG 3.28Å; L694-M698 PolarHBondContact O-N 3.05Å; V695-M698 PolarHBondContact O-N 3.37Å; M698-L701 PolarHBondContact O-N 2.55Å; M698-T702 PolarHBondContact O-N 3.44Å; M698-T702 PolarHBondContact O-OG1 2.9Å
699	A	83.9	Confident	72.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-41.7	179.1	0	0	0	0	0	112.3	Y677 V695 S696 Q697 L701 T702 L703 A769 H773	Y677-A699 HydrophobicContact CE1-CB 4.29Å; Y677-A699 VanDerWaalsContact OH-CA 3.31Å; Y677-A699 WeakPolarHBondContact OH-CA 3.49Å; Y677-A699 PolarHBondContact OH-N 2.84Å; V695-A699 WeakPolarHBondContact O-CB 3.34Å; V695-A699 PolarHBondContact O-N 3.05Å; S696-A699 PolarHBondContact O-N 2.85Å; Q697-A699 VanDerWaalsContact C-N 3.26Å; Q697-A699 PolarHBondContact O-N 3.16Å; A699-L701 PolarHBondContact O-N 3.18Å; A699-T702 WeakPolarHBondContact O-CB 3.46Å; A699-T702 PolarHBondContact O-N 2.84Å; A699-L703 WeakPolarHBondContact O-CB 3.14Å; A699-L703 VanDerWaalsContact O-CG 3.29Å; A699-L703 WeakPolarHBondContact O-CG 3.44Å; A699-L703 PolarHBondContact O-N 2.89Å; A699-A769 HydrophobicContact CB-CB 4.23Å; A699-A769 WeakPolarHBondContact CB-O 3.18Å; A699-H773 HydrophobicContact CB-CB 3.78Å
700	T	81.4	Confident	71.6	Confident	36 Å²	36	54.6 Å²	54.6	22%	0.221	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-44.6	173.6	-58.4	0	0	0	0	111.8	S696 Q697 T702 L703 N704 H773	S696-T700 PolarHBondContact O-N 2.78Å; S696-T700 PolarHBondContact O-OG1 2.8Å; Q697-T700 PolarHBondContact O-N 3.49Å; T700-T702 VanDerWaalsContact C-N 3.34Å; T700-T702 PolarHBondContact O-N 3.01Å; T700-L703 PolarHBondContact O-N 3.2Å; T700-N704 WeakPolarHBondContact O-CB 3.21Å; T700-N704 PolarHBondContact O-N 2.84Å; T700-N704 PolarHBondContact O-ND2 3.14Å; T700-H773 PolarHBondContact OG1-CE1 2.93Å; T700-H773 VanDerWaalsContact OG1-CE1 3.25Å; T700-H773 PolarHBondContact OG1-ND1 3.41Å
701	L	79.7	Confident	70.3	Confident	69 Å²	69	55.7 Å²	55.7	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-44.3	175.2	-71.6	172.3	0	0	0	111.3	Q697 M698 A699 L703 N704 I705 L813	Q697-L701 WeakPolarHBondContact O-CG 3.19Å; Q697-L701 PolarHBondContact O-N 3.29Å; M698-L701 PolarHBondContact O-N 2.55Å; A699-L701 PolarHBondContact O-N 3.18Å; L701-L703 PolarHBondContact O-N 2.9Å; L701-N704 PolarHBondContact O-N 3.44Å; L701-I705 WeakPolarHBondContact O-CG1 2.95Å; L701-I705 PolarHBondContact O-N 3.02Å; L701-L813 HydrophobicContact CD1-CD1 4.27Å
702	T	81.6	Confident	68.5	Low	3 Å²	3	60.3 Å²	60.3	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-46.4	177.1	-54.2	0	0	0	0	111.4	Y677 M698 A699 T700 N704 I705 F706 L765 A769	Y677-T702 HydrophobicContact CE2-CG2 4.49Å; Y677-T702 PolarHBondContact OH-OG1 2.9Å; M698-T702 PolarHBondContact O-N 3.44Å; M698-T702 PolarHBondContact O-OG1 2.9Å; A699-T702 WeakPolarHBondContact O-CB 3.46Å; A699-T702 PolarHBondContact O-N 2.84Å; T700-T702 VanDerWaalsContact C-N 3.34Å; T700-T702 PolarHBondContact O-N 3.01Å; T702-N704 VanDerWaalsContact C-N 3.33Å; T702-N704 PolarHBondContact O-N 3.46Å; T702-I705 PolarHBondContact O-N 2.81Å; T702-F706 HydrophobicContact CG2-CD2 3.88Å; T702-F706 HydrophobicContact CG2-CE2 4.12Å; T702-F706 VanDerWaalsContact O-CD2 3.26Å; T702-F706 WeakPolarHBondContact O-CD2 3.47Å; T702-F706 PolarHBondContact O-N 2.79Å; T702-F706 VanDerWaalsContact O-N 3.07Å; T702-L765 HydrophobicContact CG2-CD2 4.13Å; T702-L765 HydrophobicContact CG2-CG 3.95Å; T702-A769 HydrophobicContact CG2-CB 3.89Å
703	L	82.6	Confident	66.4	Low	47 Å²	47	67.6 Å²	67.6	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-35.5	177.7	-70.8	171.1	0	0	0	112.3	A699 T700 L701 I705 F706 R707 P766 A769 K770 H773	A699-L703 WeakPolarHBondContact O-CB 3.14Å; A699-L703 VanDerWaalsContact O-CG 3.29Å; A699-L703 WeakPolarHBondContact O-CG 3.44Å; A699-L703 PolarHBondContact O-N 2.89Å; T700-L703 PolarHBondContact O-N 3.2Å; L701-L703 PolarHBondContact O-N 2.9Å; L703-I705 VanDerWaalsContact C-N 3.34Å; L703-F706 CarbonylContact O-C 3.6Å; L703-F706 PolarHBondContact O-N 3.32Å; L703-R707 WeakPolarHBondContact O-CG 3.38Å; L703-R707 PolarHBondContact O-N 2.9Å; L703-R707 VanDerWaalsContact O-N 3.08Å; L703-P766 WeakPolarHBondContact CD2-O 3.31Å; L703-A769 HydrophobicContact CD2-CB 4.24Å; L703-A769 HydrophobicContact CG-CB 4.15Å; L703-K770 HydrophobicContact CD2-CB 4.21Å; L703-H773 HydrophobicContact CD1-CB 4.48Å
704	N	77.1	Confident	64.2	Low	75 Å²	75	71.4 Å²	71.4	40%	0.401	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-36.6	175.9	-74.1	-18.2	0	0	0	112.3	T700 L701 T702 R707	T700-N704 WeakPolarHBondContact O-CB 3.21Å; T700-N704 PolarHBondContact O-N 2.84Å; T700-N704 PolarHBondContact O-ND2 3.14Å; L701-N704 PolarHBondContact O-N 3.44Å; T702-N704 VanDerWaalsContact C-N 3.33Å; T702-N704 PolarHBondContact O-N 3.46Å; N704-R707 PolarHBondContact OD1-NE 2.8Å; N704-R707 PolarHBondContact OD1-NH2 2.77Å
705	I	76.9	Confident	61.8	Low	60 Å²	60	76.9 Å²	76.9	31%	0.308	41%	0.408	S	S	.	.	H	α-helix	trans	-70.1	-42.4	176.8	-66.3	164.4	0	0	0	110.9	L701 T702 L703 Y758	L701-I705 WeakPolarHBondContact O-CG1 2.95Å; L701-I705 PolarHBondContact O-N 3.02Å; T702-I705 PolarHBondContact O-N 2.81Å; L703-I705 VanDerWaalsContact C-N 3.34Å; I705-Y758 HydrophobicContact CG2-CD1 4.11Å; I705-Y758 HydrophobicContact CG2-CG 4.05Å
706	F	76.3	Confident	59.2	Low	23 Å²	23	80.1 Å²	80.1	10%	0.101	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	31	-174.5	-58.9	-65.8	0	0	0	113.8	T702 L703 P708 Y758 C760 L765 P766	T702-F706 HydrophobicContact CG2-CD2 3.88Å; T702-F706 HydrophobicContact CG2-CE2 4.12Å; T702-F706 VanDerWaalsContact O-CD2 3.26Å; T702-F706 WeakPolarHBondContact O-CD2 3.47Å; T702-F706 PolarHBondContact O-N 2.79Å; T702-F706 VanDerWaalsContact O-N 3.07Å; L703-F706 CarbonylContact O-C 3.6Å; L703-F706 PolarHBondContact O-N 3.32Å; F706-P708 WeakPolarHBondContact O-CD 3.26Å; F706-Y758 HydrophobicContact CZ-CD1 4.4Å; F706-C760 HydrophobicContact CD1-CB 3.79Å; F706-C760 HydrophobicContact CE1-CB 3.49Å; F706-C760 VanDerWaalsContact CE1-CB 3.49Å; F706-C760 HydrophobicContact CZ-CB 4.15Å; F706-L765 HydrophobicContact CE2-CD2 4.03Å; F706-P766 HydrophobicContact CB-CB 4.39Å; F706-P766 HydrophobicContact CB-CG 3.93Å; F706-P766 HydrophobicContact CD2-CG 4.46Å; F706-P766 HydrophobicContact CG-CG 4.28Å
707	R	64.7	Low	56.8	Low	165 Å²	165	86.2 Å²	86.2	62%	0.623	47%	0.471	S	S	*	.			trans	-60.5	127.5	179.8	-74.9	-167.1	-174.9	173.1	1.7	110.3	L703 N704 V709	L703-R707 WeakPolarHBondContact O-CG 3.38Å; L703-R707 PolarHBondContact O-N 2.9Å; L703-R707 VanDerWaalsContact O-N 3.08Å; N704-R707 PolarHBondContact OD1-NE 2.8Å; N704-R707 PolarHBondContact OD1-NH2 2.77Å; R707-V709 PolarHBondContact O-N 3.36Å
708	P	49.8	Very low	54.4	Low	75 Å²	75	88.9 Å²	88.9	49%	0.487	49%	0.494	S	S	.	.			trans	-65.4	132.4	169.6	24.5	-29.8	0	0	0	110	F706 S710	F706-P708 WeakPolarHBondContact O-CD 3.26Å; P708-S710 PolarHBondContact O-N 2.83Å
709	V	44.3	Very low	51.7	Low	85 Å²	85	93.1 Å²	93.1	52%	0.515	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-58.5	-16.3	-176.7	177	0	0	0	0	113.3	R707 Q711 I712	R707-V709 PolarHBondContact O-N 3.36Å; V709-Q711 PolarHBondContact O-N 2.86Å; V709-I712 PolarHBondContact O-N 2.75Å
710	S	40.1	Very low	48.8	Very low	106 Å²	106	101.5 Å²	101.5	74%	0.741	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69.3	6.9	-174.5	46.1	0	0	0	0	116.4	P708	P708-S710 PolarHBondContact O-N 2.83Å
711	Q	33.8	Very low	46.1	Very low	175 Å²	175	106.4 Å²	106.4	82%	0.818	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-114.7	7.4	173	-73.3	-172.7	-15.1	0	0	115.5	V709	V709-Q711 PolarHBondContact O-N 2.86Å
712	I	31.3	Very low	43.3	Very low	150 Å²	150	109.4 Å²	109.4	77%	0.769	62%	0.615	S	S	*	*	S	Bend	trans	-94.5	-9.4	176.9	-62	179.4	0	0	0	113.1	V709	V709-I712 PolarHBondContact O-N 2.75Å
713	L	27.5	Very low	40.6	Very low	155 Å²	155	118 Å²	118	81%	0.812	66%	0.655	S	S	*	*	S	Bend	trans	-114.9	73.1	176.7	-80.7	152.5	0	0	0	111.4
714	T	25.4	Very low	37.7	Very low	116 Å²	116	122.2 Å²	122.2	71%	0.712	68%	0.683	S	S	*	*			trans	-171.9	54.5	146.3	32.9	0	0	0	0	110.3	S716	T714-S716 VanDerWaalsContact C-N 3.31Å
715	N	23.9	Very low	35.2	Very low	174 Å²	174	125.4 Å²	125.4	93%	0.93	71%	0.706	S	S	*	*			trans	-99.9	62.2	151.2	-83.3	-12.4	0	0	0	108.2
716	S	24.6	Very low	32.6	Very low	82 Å²	82	128.5 Å²	128.5	57%	0.573	73%	0.727	S	S	*	*			trans	-112.1	115.8	156.1	41.9	0	0	0	0	106.8	T714 S718	T714-S716 VanDerWaalsContact C-N 3.31Å; S716-S718 VanDerWaalsContact C-N 3.33Å; S716-S718 PolarHBondContact O-N 3.49Å
717	P	31.1	Very low	30.1	Very low	132 Å²	132	134.8 Å²	134.8	86%	0.857	76%	0.762	S	S	*	*			trans	-76.2	86.6	-175.3	30.8	-31.7	0	0	0	108.9	T719	P717-T719 PolarHBondContact O-N 2.8Å
718	S	26.1	Very low	28.1	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	77%	0.767	S	S	*	*			trans	-95.4	90	167.4	53.6	0	0	0	0	109.1	S716	S716-S718 VanDerWaalsContact C-N 3.33Å; S716-S718 PolarHBondContact O-N 3.49Å
719	T	23.9	Very low	26.9	Very low	126 Å²	126	133.5 Å²	133.5	77%	0.773	78%	0.78	S	S	*	*			trans	47.8	119.1	132	-25.5	0	0	0	0	118.5	P717 T721	P717-T719 PolarHBondContact O-N 2.8Å; T719-T721 PolarHBondContact O-N 2.87Å
720	M	22.6	Very low	25.9	Very low	176 Å²	176	135 Å²	135	87%	0.867	79%	0.794	S	S	*	*			trans	-46.1	127.9	163.9	-65.5	-162.8	179	0	0	112.7
721	T	24	Very low	25.2	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	80%	0.798	S	S	*	*			trans	-132.3	101.7	143.7	27.1	0	0	0	0	107.7	T719 E723	T719-T721 PolarHBondContact O-N 2.87Å; T721-E723 PolarHBondContact O-N 2.96Å
722	T	22.5	Very low	24.8	Very low	132 Å²	132	134 Å²	134	81%	0.81	80%	0.796	S	S	*	*			trans	-52.5	117.7	152.6	24.2	0	0	0	0	109.3
723	E	24	Very low	24.5	Very low	184 Å²	184	134.6 Å²	134.6	86%	0.86	80%	0.799	S	S	*	*			trans	-150.8	107.5	146.9	-111.9	169.7	-153.4	0	0	109.5	T721	T721-E723 PolarHBondContact O-N 2.96Å
724	T	21.5	Very low	24.2	Very low	135 Å²	135	134.3 Å²	134.3	83%	0.828	80%	0.798	S	S	*	*			trans	-47	129	155.9	6.6	0	0	0	0	111.2
725	T	24.3	Very low	24.2	Very low	143 Å²	143	134.1 Å²	134.1	88%	0.877	80%	0.802	S	S	*	*			trans	-161.2	135.9	131.3	20.7	0	0	0	0	110.8
726	V	22.9	Very low	24.3	Very low	125 Å²	125	133.1 Å²	133.1	76%	0.758	80%	0.801	S	S	*	*			trans	-65.4	133.2	170	174.6	0	0	0	0	108.8
727	D	23.9	Very low	24.2	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	81%	0.811	S	S	*	*				-163.9	128.1	126.6	-100	-23.1	0	0	0	112.4
728	A	23.4	Very low	23.9	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	81%	0.805	S	S	*	*			trans	-74.9	125.4	166.8	0	0	0	0	0	108.5
729	T	24.4	Very low	23.7	Very low	126 Å²	126	133.9 Å²	133.9	77%	0.773	81%	0.809	S	S	*	*			trans	-163.5	121	140.8	14.2	0	0	0	0	109.8	T731	T729-T731 PolarHBondContact O-N 2.92Å
730	S	23	Very low	23.7	Very low	115 Å²	115	136 Å²	136	80%	0.804	81%	0.814	S	S	*	*			trans	-43.3	115.9	161.4	50.5	0	0	0	0	111.8
731	T	26.1	Very low	23.8	Very low	136 Å²	136	132.6 Å²	132.6	83%	0.834	81%	0.807	S	S	*	*			trans	-133.9	131.7	150.6	37.6	0	0	0	0	109.8	T729	T729-T731 PolarHBondContact O-N 2.92Å
732	T	24.5	Very low	23.7	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	81%	0.806	S	S	*	*			trans	-57.2	138.8	-176.9	35.5	0	0	0	0	113.7	D734	T732-D734 PolarHBondContact O-N 2.78Å; T732-D734 VanDerWaalsContact O-N 3.16Å
733	I	24.1	Very low	23.9	Very low	163 Å²	163	135.8 Å²	135.8	84%	0.836	81%	0.805	S	S	*	*			trans	-5.8	100.3	143.3	-53.8	167.1	0	0	0	112.6
734	D	22.9	Very low	24	Very low	149 Å²	149	135.4 Å²	135.4	80%	0.797	81%	0.809	S	S	*	*			trans	-168.5	94.4	152.3	-93.8	-24.5	0	0	0	108.8	T732	T732-D734 PolarHBondContact O-N 2.78Å; T732-D734 VanDerWaalsContact O-N 3.16Å
735	S	24.8	Very low	24.2	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	80%	0.804	S	S	*	*			trans	171.2	60.5	152.6	42.8	0	0	0	0	111.6
736	V	25.3	Very low	24.4	Very low	152 Å²	152	136.8 Å²	136.8	92%	0.921	80%	0.801	S	S	*	*			trans	-133.1	61.3	154.3	-164.6	0	0	0	0	108
737	S	23.5	Very low	24.9	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	81%	0.806	S	S	*	*			trans	-137.7	56.3	172.9	58.2	0	0	0	0	110
738	S	23.3	Very low	25.2	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	79%	0.789	S	S	*	*	S	Bend	trans	-153.7	145.4	154.8	65	0	0	0	0	108.1
739	C	23.1	Very low	25.5	Very low	119 Å²	119	136.3 Å²	136.3	80%	0.804	78%	0.783	S	S	*	*			trans	85.7	45.7	-169.7	-39.8	0	0	0	0	115.9
740	I	24.4	Very low	25.5	Very low	170 Å²	170	136.2 Å²	136.2	87%	0.872	78%	0.776	S	S	*	*			trans	-110.9	76.3	141.8	-55.7	176	0	0	0	106
741	S	23.7	Very low	26	Very low	105 Å²	105	133.7 Å²	133.7	73%	0.734	75%	0.753	S	S	*	*			trans	-88.4	113	165.4	52.2	0	0	0	0	107.9	K743	S741-K743 PolarHBondContact O-N 2.85Å; S741-K743 VanDerWaalsContact O-N 3.12Å
742	N	22.9	Very low	26	Very low	155 Å²	155	135 Å²	135	83%	0.829	76%	0.755	S	S	*	*			trans	-42	112.7	162.7	-73.4	-29.4	0	0	0	111
743	K	25	Very low	26.3	Very low	181 Å²	181	131.6 Å²	131.6	79%	0.787	75%	0.745	S	S	*	*			trans	-146.1	127.3	143.1	-78.9	-164	175.6	173.2	0	108.5	S741 E745	S741-K743 PolarHBondContact O-N 2.85Å; S741-K743 VanDerWaalsContact O-N 3.12Å; K743-E745 VanDerWaalsContact C-N 3.3Å; K743-E745 PolarHBondContact O-N 3.34Å
744	N	27.2	Very low	27	Very low	176 Å²	176	129.3 Å²	129.3	94%	0.941	75%	0.751	S	S	*	*			trans	-59.5	94.6	164.9	-66.5	-26.4	0	0	0	107.7
745	E	26.2	Very low	27.6	Very low	154 Å²	154	129 Å²	129	72%	0.72	75%	0.748	S	S	*	*			trans	-123.9	127.3	159.2	-75.5	-177.8	178.4	0	0	105.3	K743 D747	K743-E745 VanDerWaalsContact C-N 3.3Å; K743-E745 PolarHBondContact O-N 3.34Å; E745-D747 PolarHBondContact O-N 3.1Å
746	D	28	Very low	28.5	Very low	153 Å²	153	133 Å²	133	82%	0.818	75%	0.751	S	S	*	*			trans	-51	105.7	177.5	-69.2	-54	0	0	0	109	T748	D746-T748 PolarHBondContact O-N 2.99Å; D746-T748 PolarHBondContact O-OG1 2.85Å
747	D	32.9	Very low	29.8	Very low	162 Å²	162	130.3 Å²	130.3	87%	0.866	73%	0.732	S	S	*	*			trans	-65.9	66.7	179	-79.1	-35	0	0	0	110.4	E745	E745-D747 PolarHBondContact O-N 3.1Å
748	T	30.2	Very low	31.7	Very low	75 Å²	75	128.9 Å²	128.9	46%	0.46	71%	0.71	S	S	.	*			trans	-83.5	107.4	161.1	45.3	0	0	0	0	105.8	D746 I750	D746-T748 PolarHBondContact O-N 2.99Å; D746-T748 PolarHBondContact O-OG1 2.85Å; T748-I750 PolarHBondContact O-N 2.82Å
749	M	30.1	Very low	34.1	Very low	121 Å²	121	127.3 Å²	127.3	60%	0.596	69%	0.693	S	S	*	*			trans	-61.7	104.6	165.1	-83.3	-161.9	171.7	0	0	107.4	I751	M749-I751 PolarHBondContact O-N 2.84Å
750	I	25.4	Very low	36.8	Very low	124 Å²	124	123.8 Å²	123.8	64%	0.636	67%	0.669	S	S	*	*			trans	-71.1	110.7	175.7	-61.1	172.9	0	0	0	107	T748	T748-I750 PolarHBondContact O-N 2.82Å
751	I	32.5	Very low	39.5	Very low	62 Å²	62	117.4 Å²	117.4	32%	0.318	64%	0.635	S	S	.	*			trans	-98.6	114.7	177.2	-60.3	171.7	0	0	0	107.6	M749	M749-I751 PolarHBondContact O-N 2.84Å
752	D	25.8	Very low	42.3	Very low	162 Å²	162	112.9 Å²	112.9	87%	0.866	60%	0.603	S	S	*	*			trans	-70.7	129.4	169.5	-94.1	-31	0	0	0	110.6
753	G	30.4	Very low	45.1	Very low	55 Å²	55	114.1 Å²	114.1	57%	0.567	60%	0.601	S	S	*	*	S	Bend	trans	108.5	78.2	167.5	0	0	0	0	0	115.3	L755	G753-L755 PolarHBondContact O-N 2.94Å
754	A	39.1	Very low	48	Very low	115 Å²	115	109.9 Å²	109.9	95%	0.95	59%	0.587	S	S	*	*	S	Bend	trans	55.7	-1	155.9	0	0	0	0	0	120.5
755	L	35.4	Very low	50.8	Low	142 Å²	142	101.5 Å²	101.5	74%	0.743	54%	0.542	S	S	*	.	S	Bend	trans	-102.9	120.3	168.9	-85.6	96.1	0	0	0	110.2	G753 N757	G753-L755 PolarHBondContact O-N 2.94Å; L755-N757 PolarHBondContact O-N 2.92Å
756	K	43.5	Very low	53.7	Low	196 Å²	196	95.7 Å²	95.7	85%	0.852	52%	0.518	S	S	*	.			trans	-37.2	129.1	176.7	-69.9	173.8	175.9	175.7	0	112	Y758	K756-Y758 PolarHBondContact O-N 2.94Å
757	N	53.4	Low	56.5	Low	95 Å²	95	95 Å²	95	51%	0.508	51%	0.509	S	S	.	.			trans	-40.4	99.6	172.6	-71.2	-13.4	0	0	0	111.7	L755 I759	L755-N757 PolarHBondContact O-N 2.92Å; N757-I759 PolarHBondContact O-N 3.5Å
758	Y	62.7	Low	59.1	Low	83 Å²	83	88.3 Å²	88.3	33%	0.325	47%	0.474	S	S	.	.			trans	-84.4	105.3	178.6	-128.5	-88.6	0	0	0	108.6	N666 I705 F706 K756 C760	N666-Y758 HydrophobicContact CB-CE1 4.31Å; N666-Y758 PolarHBondContact OD1-OH 3.11Å; I705-Y758 HydrophobicContact CG2-CD1 4.11Å; I705-Y758 HydrophobicContact CG2-CG 4.05Å; F706-Y758 HydrophobicContact CZ-CD1 4.4Å; K756-Y758 PolarHBondContact O-N 2.94Å; Y758-C760 PolarHBondContact O-N 2.93Å
759	I	74.6	Confident	61.8	Low	69 Å²	69	84.8 Å²	84.8	35%	0.354	45%	0.452	S	S	.	.			trans	-72.3	125.7	-179.4	-59.2	172.5	0	0	0	109.4	Q670 N757 F761	Q670-I759 PolarHBondContact NE2-O 2.72Å; N757-I759 PolarHBondContact O-N 3.5Å; I759-F761 HydrophobicContact CB-CE1 4.49Å; I759-F761 HydrophobicContact CB-CE2 4.17Å; I759-F761 HydrophobicContact CB-CZ 4.05Å; I759-F761 HydrophobicContact CG2-CD1 4.11Å; I759-F761 HydrophobicContact CG2-CE1 3.82Å; I759-F761 HydrophobicContact CG2-CE2 4.24Å; I759-F761 HydrophobicContact CG2-CG 4.45Å; I759-F761 HydrophobicContact CG2-CZ 3.89Å; I759-F761 PolarHBondContact O-N 2.96Å
760	C	79.6	Confident	64.6	Low	45 Å²	45	84.8 Å²	84.8	30%	0.304	45%	0.448	S	S	.	.			trans	-86.8	104.6	172.4	-167	0	0	0	0	109.9	F706 Y758 V762	F706-C760 HydrophobicContact CD1-CB 3.79Å; F706-C760 HydrophobicContact CE1-CB 3.49Å; F706-C760 VanDerWaalsContact CE1-CB 3.49Å; F706-C760 HydrophobicContact CZ-CB 4.15Å; Y758-C760 PolarHBondContact O-N 2.93Å; C760-V762 PolarHBondContact SG-O 3.39Å
761	F	81.9	Confident	67.5	Low	36 Å²	36	81.8 Å²	81.8	16%	0.158	44%	0.438	C	S	.	.			trans	-83.9	-23.7	178.6	-62.7	-76.8	0	0	0	112.7	F623 L628 N666 F667 I759	F623-F761 HydrophobicContact CB-CE1 4.21Å; F623-F761 HydrophobicContact CD1-CD1 4.1Å; F623-F761 AromaticContact CD1-CE1 3.69Å; F623-F761 HydrophobicContact CD1-CE1 3.69Å; F623-F761 HydrophobicContact CD1-CZ 4.49Å; F623-F761 HydrophobicContact CE1-CD1 4.25Å; F623-F761 HydrophobicContact CE1-CE1 4.18Å; F623-F761 AromaticContact CG-CE1 3.91Å; F623-F761 HydrophobicContact CG-CE1 3.91Å; F623-F761 HydrophobicContact CG-CZ 4.36Å; L628-F761 HydrophobicContact CD2-CB 4.15Å; L628-F761 HydrophobicContact CD2-CD1 4.06Å; N666-F761 HydrophobicContact CB-CE2 4.29Å; F667-F761 HydrophobicContact CB-CB 4.39Å; F667-F761 HydrophobicContact CB-CD2 3.8Å; F667-F761 HydrophobicContact CB-CE2 4.28Å; F667-F761 HydrophobicContact CB-CG 4.13Å; F667-F761 HydrophobicContact CD2-CB 3.38Å; F667-F761 HydrophobicContact CD2-CD2 4.37Å; F667-F761 HydrophobicContact CD2-CG 4.02Å; F667-F761 HydrophobicContact CE2-CB 3.88Å; F667-F761 HydrophobicContact CG-CB 4.13Å; F667-F761 HydrophobicContact CG-CD2 4.44Å; F667-F761 HydrophobicContact CG-CG 4.29Å; I759-F761 HydrophobicContact CB-CE1 4.49Å; I759-F761 HydrophobicContact CB-CE2 4.17Å; I759-F761 HydrophobicContact CB-CZ 4.05Å; I759-F761 HydrophobicContact CG2-CD1 4.11Å; I759-F761 HydrophobicContact CG2-CE1 3.82Å; I759-F761 HydrophobicContact CG2-CE2 4.24Å; I759-F761 HydrophobicContact CG2-CG 4.45Å; I759-F761 HydrophobicContact CG2-CZ 3.89Å; I759-F761 PolarHBondContact O-N 2.96Å
762	V	82.3	Confident	70.1	Confident	10 Å²	10	78.8 Å²	78.8	6%	0.061	42%	0.423	C	S	.	.	S	Bend	trans	-104.7	95.1	177.8	-177.5	0	0	0	0	109.1	F667 Q670 R671 E674 C760 D764 L765	F667-V762 HydrophobicContact CD2-CG2 4.35Å; F667-V762 HydrophobicContact CE2-CG2 4.01Å; Q670-V762 HydrophobicContact CB-CG2 3.95Å; R671-V762 HydrophobicContact CG-CG2 4.39Å; E674-V762 HydrophobicContact CB-CG1 4.36Å; E674-V762 HydrophobicContact CG-CG1 4.13Å; C760-V762 PolarHBondContact SG-O 3.39Å; V762-D764 VanDerWaalsContact C-N 3.29Å; V762-D764 PolarHBondContact O-N 3.07Å; V762-L765 HydrophobicContact CB-CB 3.92Å; V762-L765 HydrophobicContact CG1-CB 3.9Å; V762-L765 WeakPolarHBondContact O-CB 3.34Å; V762-L765 PolarHBondContact O-N 3.31Å
763	K	81.7	Confident	73	Confident	181 Å²	181	73.6 Å²	73.6	79%	0.787	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-43	-172	-65.2	-170	176.9	-168.1	0	113.9	L765 P766	K763-L765 VanDerWaalsContact C-N 3.27Å; K763-L765 PolarHBondContact O-N 2.87Å; K763-P766 WeakPolarHBondContact O-CD 3.44Å
764	D	85.6	Confident	75.7	Confident	91 Å²	91	75.9 Å²	75.9	49%	0.487	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.8	-176.8	-48.5	-15.2	0	0	0	113.4	V762 E767 L768	V762-D764 VanDerWaalsContact C-N 3.29Å; V762-D764 PolarHBondContact O-N 3.07Å; D764-E767 PolarHBondContact O-N 2.99Å; D764-L768 VanDerWaalsContact O-CB 3.24Å; D764-L768 WeakPolarHBondContact O-CB 3.44Å; D764-L768 PolarHBondContact O-N 3.41Å
765	L	86	Confident	77.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-43.1	-172.6	-176.8	67.9	0	0	0	113.4	Q670 L673 E674 Y677 T702 F706 V762 K763 L768 A769	Q670-L765 HydrophobicContact CB-CD2 3.84Å; Q670-L765 HydrophobicContact CG-CD2 3.76Å; L673-L765 HydrophobicContact CB-CD1 4.03Å; E674-L765 HydrophobicContact CB-CD1 4.22Å; Y677-L765 HydrophobicContact CD2-CD1 3.95Å; Y677-L765 HydrophobicContact CE2-CD1 3.88Å; T702-L765 HydrophobicContact CG2-CD2 4.13Å; T702-L765 HydrophobicContact CG2-CG 3.95Å; F706-L765 HydrophobicContact CE2-CD2 4.03Å; V762-L765 HydrophobicContact CB-CB 3.92Å; V762-L765 HydrophobicContact CG1-CB 3.9Å; V762-L765 WeakPolarHBondContact O-CB 3.34Å; V762-L765 PolarHBondContact O-N 3.31Å; K763-L765 VanDerWaalsContact C-N 3.27Å; K763-L765 PolarHBondContact O-N 2.87Å; L765-L768 PolarHBondContact O-N 2.93Å; L765-A769 VanDerWaalsContact O-CB 3.29Å; L765-A769 WeakPolarHBondContact O-CB 3.03Å; L765-A769 PolarHBondContact O-N 3.23Å
766	P	87	Confident	80.1	Confident	33 Å²	33	65.8 Å²	65.8	21%	0.214	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-40.5	176.8	-21.6	35	0	0	0	112.8	L703 F706 K763 A769 K770	L703-P766 WeakPolarHBondContact CD2-O 3.31Å; F706-P766 HydrophobicContact CB-CB 4.39Å; F706-P766 HydrophobicContact CB-CG 3.93Å; F706-P766 HydrophobicContact CD2-CG 4.46Å; F706-P766 HydrophobicContact CG-CG 4.28Å; K763-P766 WeakPolarHBondContact O-CD 3.44Å; P766-A769 PolarHBondContact O-N 3.49Å; P766-K770 PolarHBondContact O-N 2.5Å
767	E	87.7	Confident	81.9	Confident	138 Å²	138	57.6 Å²	57.6	65%	0.645	29%	0.287	S	S	*	.	H	α-helix	trans	-67.1	-41.1	177.3	-64.5	-171	165.6	0	0	111.9	D764 K770 S771	D764-E767 PolarHBondContact O-N 2.99Å; E767-K770 PolarHBondContact O-N 3.42Å; E767-S771 PolarHBondContact O-N 3.3Å; E767-S771 PolarHBondContact O-OG 3.29Å
768	L	87.1	Confident	83.3	Confident	22 Å²	22	59.2 Å²	59.2	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-43.9	175.2	-174.8	67.3	0	0	0	111	E674 Y677 R678 L681 D764 L765 S771 V772	E674-L768 HydrophobicContact CG-CD2 4.08Å; Y677-L768 HydrophobicContact CD2-CD2 4.06Å; Y677-L768 HydrophobicContact CD2-CG 4.12Å; Y677-L768 HydrophobicContact CG-CD2 4.35Å; Y677-L768 HydrophobicContact CG-CG 4.37Å; R678-L768 HydrophobicContact CG-CD1 4.37Å; R678-L768 HydrophobicContact CG-CD2 4.03Å; L681-L768 HydrophobicContact CD1-CD1 3.54Å; D764-L768 VanDerWaalsContact O-CB 3.24Å; D764-L768 WeakPolarHBondContact O-CB 3.44Å; D764-L768 PolarHBondContact O-N 3.41Å; L765-L768 PolarHBondContact O-N 2.93Å; L768-S771 PolarHBondContact O-N 3.21Å; L768-V772 WeakPolarHBondContact O-CB 3.42Å; L768-V772 WeakPolarHBondContact O-CG2 3.36Å; L768-V772 PolarHBondContact O-N 2.87Å
769	A	86.7	Confident	84.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-43.3	174.7	0	0	0	0	0	111.3	Y677 A699 T702 L703 L765 P766 S771 V772 H773	Y677-A769 HydrophobicContact CD2-CB 4.45Å; Y677-A769 HydrophobicContact CE2-CB 3.85Å; A699-A769 HydrophobicContact CB-CB 4.23Å; A699-A769 WeakPolarHBondContact CB-O 3.18Å; T702-A769 HydrophobicContact CG2-CB 3.89Å; L703-A769 HydrophobicContact CD2-CB 4.24Å; L703-A769 HydrophobicContact CG-CB 4.15Å; L765-A769 VanDerWaalsContact O-CB 3.29Å; L765-A769 WeakPolarHBondContact O-CB 3.03Å; L765-A769 PolarHBondContact O-N 3.23Å; P766-A769 PolarHBondContact O-N 3.49Å; A769-S771 PolarHBondContact O-N 2.89Å; A769-V772 PolarHBondContact O-N 2.7Å; A769-H773 WeakPolarHBondContact O-CB 3.1Å; A769-H773 PolarHBondContact O-N 3.03Å
770	K	88.5	Confident	84.1	Confident	121 Å²	121	54 Å²	54	53%	0.526	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-47.7	175.6	-173.5	178.5	179.4	-178.2	0	111.7	L703 P766 E767 H773 Q774	L703-K770 HydrophobicContact CD2-CB 4.21Å; P766-K770 PolarHBondContact O-N 2.5Å; E767-K770 PolarHBondContact O-N 3.42Å; K770-H773 PolarHBondContact O-N 2.88Å; K770-Q774 WeakPolarHBondContact O-CG 3.35Å; K770-Q774 PolarHBondContact O-N 2.84Å
771	S	87.3	Confident	84	Confident	61 Å²	61	54.1 Å²	54.1	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-44.7	179.9	-57.5	0	0	0	0	111.8	E767 L768 A769 L775	E767-S771 PolarHBondContact O-N 3.3Å; E767-S771 PolarHBondContact O-OG 3.29Å; L768-S771 PolarHBondContact O-N 3.21Å; A769-S771 PolarHBondContact O-N 2.89Å; S771-L775 WeakPolarHBondContact O-CB 3.47Å; S771-L775 PolarHBondContact O-N 3.3Å
772	V	86.3	Confident	83.7	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-40.4	178.1	164.5	0	0	0	0	112.1	Y677 F680 L681 V695 L768 A769 L775 A776	Y677-V772 HydrophobicContact CD1-CB 4.32Å; Y677-V772 HydrophobicContact CD1-CG1 3.81Å; Y677-V772 HydrophobicContact CD1-CG2 4.39Å; Y677-V772 HydrophobicContact CE1-CG1 4.34Å; Y677-V772 HydrophobicContact CG-CB 4.42Å; Y677-V772 HydrophobicContact CG-CG1 4.38Å; Y677-V772 HydrophobicContact CG-CG2 4.18Å; F680-V772 HydrophobicContact CD1-CG1 3.96Å; F680-V772 HydrophobicContact CE1-CG1 4.43Å; L681-V772 HydrophobicContact CD1-CG2 4.08Å; L681-V772 HydrophobicContact CD2-CG2 3.72Å; L681-V772 HydrophobicContact CG-CG2 3.69Å; V695-V772 HydrophobicContact CG1-CG1 3.07Å; L768-V772 WeakPolarHBondContact O-CB 3.42Å; L768-V772 WeakPolarHBondContact O-CG2 3.36Å; L768-V772 PolarHBondContact O-N 2.87Å; A769-V772 PolarHBondContact O-N 2.7Å; V772-L775 PolarHBondContact O-N 3.25Å; V772-A776 WeakPolarHBondContact O-CB 3.22Å; V772-A776 PolarHBondContact O-N 3.17Å
773	H	86	Confident	83.2	Confident	52 Å²	52	64.1 Å²	64.1	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-51.1	175.2	-178.8	73.2	0	0	0	110.8	S696 A699 T700 L703 A769 K770 L775 A776 V777	S696-H773 PolarHBondContact O-ND1 3.45Å; S696-H773 PolarHBondContact OG-CE1 3.26Å; S696-H773 VanDerWaalsContact OG-CE1 3.31Å; S696-H773 PolarHBondContact OG-ND1 2.77Å; S696-H773 VanDerWaalsContact OG-ND1 3.08Å; A699-H773 HydrophobicContact CB-CB 3.78Å; T700-H773 PolarHBondContact OG1-CE1 2.93Å; T700-H773 VanDerWaalsContact OG1-CE1 3.25Å; T700-H773 PolarHBondContact OG1-ND1 3.41Å; L703-H773 HydrophobicContact CD1-CB 4.48Å; A769-H773 WeakPolarHBondContact O-CB 3.1Å; A769-H773 PolarHBondContact O-N 3.03Å; K770-H773 PolarHBondContact O-N 2.88Å; H773-L775 VanDerWaalsContact C-N 3.35Å; H773-L775 PolarHBondContact O-N 3.2Å; H773-A776 PolarHBondContact O-N 3.31Å; H773-V777 WeakPolarHBondContact O-CB 3.22Å; H773-V777 WeakPolarHBondContact O-CG2 3.49Å; H773-V777 PolarHBondContact O-N 3.18Å
774	Q	86.5	Confident	82.5	Confident	103 Å²	103	59.9 Å²	59.9	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-57.9	-46.3	177.8	-73.1	177	-16.7	0	0	111.9	K770 V777 Q778	K770-Q774 WeakPolarHBondContact O-CG 3.35Å; K770-Q774 PolarHBondContact O-N 2.84Å; Q774-V777 PolarHBondContact O-N 3.32Å; Q774-Q778 WeakPolarHBondContact O-CB 3.4Å; Q774-Q778 VanDerWaalsContact O-CG 3.31Å; Q774-Q778 WeakPolarHBondContact O-CG 3.41Å; Q774-Q778 PolarHBondContact O-N 3.37Å
775	L	85	Confident	81.5	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.236	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-43.6	178.6	-176.6	66.4	0	0	0	112.3	F680 L681 S771 V772 H773 V777 Q778 L779	F680-L775 HydrophobicContact CE1-CD2 4.39Å; L681-L775 HydrophobicContact CD2-CD2 3.66Å; S771-L775 WeakPolarHBondContact O-CB 3.47Å; S771-L775 PolarHBondContact O-N 3.3Å; V772-L775 PolarHBondContact O-N 3.25Å; H773-L775 VanDerWaalsContact C-N 3.35Å; H773-L775 PolarHBondContact O-N 3.2Å; L775-V777 VanDerWaalsContact C-N 3.3Å; L775-V777 PolarHBondContact O-N 2.87Å; L775-Q778 PolarHBondContact O-N 3.36Å; L775-L779 HydrophobicContact CD1-CD1 4.44Å; L775-L779 HydrophobicContact CD1-CG 4.35Å; L775-L779 HydrophobicContact CG-CD1 4.03Å; L775-L779 HydrophobicContact CG-CG 4.36Å; L775-L779 WeakPolarHBondContact O-CB 3.44Å; L775-L779 WeakPolarHBondContact O-CG 3.48Å; L775-L779 PolarHBondContact O-N 2.77Å
776	A	83	Confident	80.6	Confident	1 Å²	1	68 Å²	68	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-40	178.5	0	0	0	0	0	111.5	F680 V772 H773 Y780	F680-A776 HydrophobicContact CE1-CB 3.96Å; F680-A776 HydrophobicContact CZ-CB 3.98Å; V772-A776 WeakPolarHBondContact O-CB 3.22Å; V772-A776 PolarHBondContact O-N 3.17Å; H773-A776 PolarHBondContact O-N 3.31Å; A776-Y780 WeakPolarHBondContact O-CB 3.47Å; A776-Y780 PolarHBondContact O-N 3.22Å
777	V	81.4	Confident	79.6	Confident	24 Å²	24	69 Å²	69	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-49.5	173	168.5	0	0	0	0	110.8	H773 Q774 L775 L779 Y780 V781 T788 I791	H773-V777 WeakPolarHBondContact O-CB 3.22Å; H773-V777 WeakPolarHBondContact O-CG2 3.49Å; H773-V777 PolarHBondContact O-N 3.18Å; Q774-V777 PolarHBondContact O-N 3.32Å; L775-V777 VanDerWaalsContact C-N 3.3Å; L775-V777 PolarHBondContact O-N 2.87Å; V777-L779 PolarHBondContact O-N 3.05Å; V777-Y780 PolarHBondContact O-N 2.93Å; V777-V781 HydrophobicContact CG1-CG2 4.39Å; V777-V781 VanDerWaalsContact O-CG2 3.29Å; V777-V781 WeakPolarHBondContact O-CG2 3.11Å; V777-V781 PolarHBondContact O-N 3.23Å; V777-T788 HydrophobicContact CG1-CG2 3.75Å; V777-I791 HydrophobicContact CB-CD1 4.03Å; V777-I791 HydrophobicContact CG1-CD1 3.89Å; V777-I791 HydrophobicContact CG2-CD1 3.86Å
778	Q	82.2	Confident	78.4	Confident	128 Å²	128	66.2 Å²	66.2	60%	0.598	33%	0.325	S	S	*	.	H	α-helix	trans	-58.8	-45.3	177.2	-75.5	175.6	-4.6	0	0	112.3	Q774 L775 Y780 V781 H782	Q774-Q778 WeakPolarHBondContact O-CB 3.4Å; Q774-Q778 VanDerWaalsContact O-CG 3.31Å; Q774-Q778 WeakPolarHBondContact O-CG 3.41Å; Q774-Q778 PolarHBondContact O-N 3.37Å; L775-Q778 PolarHBondContact O-N 3.36Å; Q778-Y780 PolarHBondContact O-N 2.97Å; Q778-V781 PolarHBondContact O-N 2.9Å; Q778-H782 WeakPolarHBondContact O-CB 3.45Å; Q778-H782 PolarHBondContact O-N 2.83Å
779	L	79.1	Confident	77.2	Confident	24 Å²	24	70.9 Å²	70.9	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-40.3	177.6	-74.9	173	0	0	0	111.9	F680 Q686 L775 V777 R783	F680-L779 HydrophobicContact CE1-CD1 4.29Å; F680-L779 HydrophobicContact CZ-CD1 3.95Å; Q686-L779 HydrophobicContact CB-CD1 4.4Å; Q686-L779 HydrophobicContact CG-CD1 4.11Å; L775-L779 HydrophobicContact CD1-CD1 4.44Å; L775-L779 HydrophobicContact CD1-CG 4.35Å; L775-L779 HydrophobicContact CG-CD1 4.03Å; L775-L779 HydrophobicContact CG-CG 4.36Å; L775-L779 WeakPolarHBondContact O-CB 3.44Å; L775-L779 WeakPolarHBondContact O-CG 3.48Å; L775-L779 PolarHBondContact O-N 2.77Å; V777-L779 PolarHBondContact O-N 3.05Å; L779-R783 VanDerWaalsContact O-CB 3.23Å; L779-R783 WeakPolarHBondContact O-CB 3.25Å; L779-R783 WeakPolarHBondContact O-CG 3.39Å; L779-R783 PolarHBondContact O-N 2.86Å
780	Y	75.1	Confident	75.7	Confident	19 Å²	19	73.9 Å²	73.9	8%	0.075	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-50.5	175.8	-178.5	-89.5	0	0	0	111.4	L693 A776 V777 Q778 H782 R783 F784 L786 I791	L693-Y780 HydrophobicContact CD1-CE2 3.93Å; L693-Y780 HydrophobicContact CD2-CD2 3.82Å; L693-Y780 HydrophobicContact CD2-CE2 3.59Å; L693-Y780 HydrophobicContact CG-CD2 3.94Å; L693-Y780 HydrophobicContact CG-CE2 3.77Å; A776-Y780 WeakPolarHBondContact O-CB 3.47Å; A776-Y780 PolarHBondContact O-N 3.22Å; V777-Y780 PolarHBondContact O-N 2.93Å; Q778-Y780 PolarHBondContact O-N 2.97Å; Y780-H782 PolarHBondContact O-N 2.87Å; Y780-R783 PolarHBondContact O-N 3.03Å; Y780-F784 AromaticContact CD2-CD2 3.6Å; Y780-F784 HydrophobicContact CD2-CD2 3.6Å; Y780-F784 HydrophobicContact CD2-CE2 4.01Å; Y780-F784 AromaticContact CE2-CD2 3.74Å; Y780-F784 HydrophobicContact CE2-CD2 3.74Å; Y780-F784 HydrophobicContact CE2-CE2 4.26Å; Y780-F784 HydrophobicContact CE2-CG 4.45Å; Y780-F784 HydrophobicContact CG-CD2 4.04Å; Y780-F784 WeakPolarHBondContact O-CB 3.45Å; Y780-F784 VanDerWaalsContact O-CD2 3.29Å; Y780-F784 WeakPolarHBondContact O-CD2 3.11Å; Y780-F784 PolarHBondContact O-N 3.3Å; Y780-L786 HydrophobicContact CE1-CB 3.93Å; Y780-L786 HydrophobicContact CE1-CD1 4.01Å; Y780-L786 VanDerWaalsContact OH-CD1 3.29Å; Y780-L786 WeakPolarHBondContact OH-CD1 3Å; Y780-I791 HydrophobicContact CD1-CD1 3.43Å; Y780-I791 VanDerWaalsContact CD1-CD1 3.43Å; Y780-I791 HydrophobicContact CD1-CG1 3.53Å; Y780-I791 HydrophobicContact CE1-CD1 4.13Å; Y780-I791 HydrophobicContact CE1-CG1 3.67Å; Y780-I791 HydrophobicContact CG-CD1 3.83Å; Y780-I791 HydrophobicContact CG-CG1 4.17Å
781	V	77.1	Confident	74.1	Confident	48 Å²	48	69.6 Å²	69.6	29%	0.291	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-47.8	178.4	172.8	0	0	0	0	110.8	V777 Q778 R783 K785 L786 T788	V777-V781 HydrophobicContact CG1-CG2 4.39Å; V777-V781 VanDerWaalsContact O-CG2 3.29Å; V777-V781 WeakPolarHBondContact O-CG2 3.11Å; V777-V781 PolarHBondContact O-N 3.23Å; Q778-V781 PolarHBondContact O-N 2.9Å; V781-R783 VanDerWaalsContact C-N 3.35Å; V781-R783 PolarHBondContact O-N 3.24Å; V781-K785 WeakPolarHBondContact O-CA 3.35Å; V781-K785 PolarHBondContact O-N 2.83Å; V781-L786 WeakPolarHBondContact CG2-O 3.24Å; V781-T788 HydrophobicContact CG2-CG2 3.74Å
782	H	75.3	Confident	72.4	Confident	158 Å²	158	70.7 Å²	70.7	73%	0.731	35%	0.349	S	S	*	.	H	α-helix	trans	-62	-40.5	179.6	-178.6	-86	0	0	0	112.3	Q778 Y780	Q778-H782 WeakPolarHBondContact O-CB 3.45Å; Q778-H782 PolarHBondContact O-N 2.83Å; Y780-H782 PolarHBondContact O-N 2.87Å
783	R	72.4	Confident	70.6	Confident	98 Å²	98	75.9 Å²	75.9	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-77.4	-40.9	-177.8	-73.7	176.7	-178	-170.4	-1	113.4	Q686 L779 Y780 V781	Q686-R783 VanDerWaalsContact O-CZ 3.29Å; Q686-R783 PolarHBondContact O-NH1 2.89Å; Q686-R783 PolarHBondContact O-NH2 3.45Å; L779-R783 VanDerWaalsContact O-CB 3.23Å; L779-R783 WeakPolarHBondContact O-CB 3.25Å; L779-R783 WeakPolarHBondContact O-CG 3.39Å; L779-R783 PolarHBondContact O-N 2.86Å; Y780-R783 PolarHBondContact O-N 3.03Å; V781-R783 VanDerWaalsContact C-N 3.35Å; V781-R783 PolarHBondContact O-N 3.24Å
784	F	66.9	Low	68.5	Low	91 Å²	91	80 Å²	80	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-99.4	-10.8	-174	-64.3	-70.6	0	0	0	113.9	A689 Y780 L786	A689-F784 HydrophobicContact CB-CE1 4.21Å; A689-F784 HydrophobicContact CB-CE2 3.48Å; A689-F784 VanDerWaalsContact CB-CE2 3.48Å; A689-F784 HydrophobicContact CB-CZ 3.16Å; Y780-F784 AromaticContact CD2-CD2 3.6Å; Y780-F784 HydrophobicContact CD2-CD2 3.6Å; Y780-F784 HydrophobicContact CD2-CE2 4.01Å; Y780-F784 AromaticContact CE2-CD2 3.74Å; Y780-F784 HydrophobicContact CE2-CD2 3.74Å; Y780-F784 HydrophobicContact CE2-CE2 4.26Å; Y780-F784 HydrophobicContact CE2-CG 4.45Å; Y780-F784 HydrophobicContact CG-CD2 4.04Å; Y780-F784 WeakPolarHBondContact O-CB 3.45Å; Y780-F784 VanDerWaalsContact O-CD2 3.29Å; Y780-F784 WeakPolarHBondContact O-CD2 3.11Å; Y780-F784 PolarHBondContact O-N 3.3Å; F784-L786 HydrophobicContact CB-CB 4.2Å; F784-L786 HydrophobicContact CB-CD1 3.71Å; F784-L786 HydrophobicContact CB-CG 3.76Å; F784-L786 HydrophobicContact CG-CD1 4.42Å; F784-L786 PolarHBondContact O-N 2.96Å; F784-L786 VanDerWaalsContact O-N 3.11Å
785	K	65.9	Low	66.4	Low	196 Å²	196	79.8 Å²	79.8	85%	0.852	41%	0.406	S	S	*	.			trans	52.7	27	-171	-56	-178.3	177.9	-179.1	0	112.5	V781	V781-K785 WeakPolarHBondContact O-CA 3.35Å; V781-K785 PolarHBondContact O-N 2.83Å
786	L	66.1	Low	64.4	Low	66 Å²	66	81.5 Å²	81.5	35%	0.346	41%	0.413	S	S	.	.			trans	-91.6	148.6	175.8	-68	173.6	0	0	0	109.1	Y780 V781 F784	Y780-L786 HydrophobicContact CE1-CB 3.93Å; Y780-L786 HydrophobicContact CE1-CD1 4.01Å; Y780-L786 VanDerWaalsContact OH-CD1 3.29Å; Y780-L786 WeakPolarHBondContact OH-CD1 3Å; V781-L786 WeakPolarHBondContact CG2-O 3.24Å; F784-L786 HydrophobicContact CB-CB 4.2Å; F784-L786 HydrophobicContact CB-CD1 3.71Å; F784-L786 HydrophobicContact CB-CG 3.76Å; F784-L786 HydrophobicContact CG-CD1 4.42Å; F784-L786 PolarHBondContact O-N 2.96Å; F784-L786 VanDerWaalsContact O-N 3.11Å
787	S	67	Low	62.5	Low	53 Å²	53	88 Å²	88	37%	0.371	44%	0.442	S	S	.	.			trans	-64.5	154	177.3	62.7	0	0	0	0	111.3	D789 N790	S787-D789 PolarHBondContact O-N 3.05Å; S787-N790 WeakPolarHBondContact O-CB 3.27Å; S787-N790 PolarHBondContact O-N 3.36Å
788	T	61	Low	60.6	Low	80 Å²	80	87.7 Å²	87.7	49%	0.491	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-55.5	-30.9	170	44	0	0	0	0	111.9	V777 V781 N790 I791	V777-T788 HydrophobicContact CG1-CG2 3.75Å; V781-T788 HydrophobicContact CG2-CG2 3.74Å; T788-N790 PolarHBondContact O-N 3.21Å; T788-I791 PolarHBondContact O-N 2.8Å
789	D	62.3	Low	58.7	Low	120 Å²	120	87.5 Å²	87.5	64%	0.642	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-65	-17.5	178.7	-51.2	-29.6	0	0	0	112.7	S787 I791 I792	S787-D789 PolarHBondContact O-N 3.05Å; D789-I791 VanDerWaalsContact C-N 3.33Å; D789-I792 WeakPolarHBondContact O-CG1 3Å
790	N	56.2	Low	56.7	Low	64 Å²	64	94 Å²	94	34%	0.342	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-79.3	-15.1	174.4	-76.2	-22	0	0	0	113.2	S787 T788 I792 Q796	S787-N790 WeakPolarHBondContact O-CB 3.27Å; S787-N790 PolarHBondContact O-N 3.36Å; T788-N790 PolarHBondContact O-N 3.21Å; N790-I792 PolarHBondContact O-N 3.37Å; N790-I792 VanDerWaalsContact O-N 3.1Å; N790-Q796 PolarHBondContact O-NE2 3.27Å
791	I	54.9	Low	55.2	Low	30 Å²	30	96.7 Å²	96.7	15%	0.154	50%	0.504	C	S	.	.	S	Bend	trans	-85.7	38.5	175.6	-46.4	174.9	0	0	0	109.4	L693 V777 Y780 T788 D789 S793	L693-I791 HydrophobicContact CD2-CG2 4.25Å; V777-I791 HydrophobicContact CB-CD1 4.03Å; V777-I791 HydrophobicContact CG1-CD1 3.89Å; V777-I791 HydrophobicContact CG2-CD1 3.86Å; Y780-I791 HydrophobicContact CD1-CD1 3.43Å; Y780-I791 VanDerWaalsContact CD1-CD1 3.43Å; Y780-I791 HydrophobicContact CD1-CG1 3.53Å; Y780-I791 HydrophobicContact CE1-CD1 4.13Å; Y780-I791 HydrophobicContact CE1-CG1 3.67Å; Y780-I791 HydrophobicContact CG-CD1 3.83Å; Y780-I791 HydrophobicContact CG-CG1 4.17Å; T788-I791 PolarHBondContact O-N 2.8Å; D789-I791 VanDerWaalsContact C-N 3.33Å; I791-S793 PolarHBondContact O-N 3.17Å
792	I	50.1	Low	53.5	Low	84 Å²	84	98.1 Å²	98.1	43%	0.431	52%	0.516	S	S	.	.			trans	-53.4	140.1	179.1	-50.7	-177.6	0	0	0	108.5	D789 N790 Q794	D789-I792 WeakPolarHBondContact O-CG1 3Å; N790-I792 PolarHBondContact O-N 3.37Å; N790-I792 VanDerWaalsContact O-N 3.1Å; I792-Q794 HydrophobicContact CG2-CB 4Å; I792-Q794 HydrophobicContact CG2-CG 3.83Å; I792-Q794 PolarHBondContact O-N 3.31Å
793	S	49	Very low	51.6	Low	110 Å²	110	96.9 Å²	96.9	77%	0.769	51%	0.511	S	S	*	.	S	Bend	trans	-54.5	1.8	170.6	52.4	0	0	0	0	115.3	I791	I791-S793 PolarHBondContact O-N 3.17Å
794	Q	42.8	Very low	50.2	Low	138 Å²	138	95.6 Å²	95.6	65%	0.645	51%	0.511	S	S	*	.	S	Bend	trans	-87.8	140	177.9	-70.8	-179.6	-3.9	0	0	111	I792 Q796	I792-Q794 HydrophobicContact CG2-CB 4Å; I792-Q794 HydrophobicContact CG2-CG 3.83Å; I792-Q794 PolarHBondContact O-N 3.31Å; Q794-Q796 PolarHBondContact O-N 2.92Å
795	L	41.2	Very low	48.9	Very low	98 Å²	98	94.3 Å²	94.3	51%	0.513	51%	0.508	S	S	.	.			trans	-50.2	96.7	173.2	-77	149.1	0	0	0	110.9	L806	L795-L806 HydrophobicContact CD2-CB 3.48Å; L795-L806 VanDerWaalsContact CD2-CB 3.48Å; L795-L806 HydrophobicContact CD2-CD1 3.54Å; L795-L806 HydrophobicContact CD2-CG 4.17Å; L795-L806 HydrophobicContact CG-CD1 4.42Å
796	Q	44.2	Very low	47.7	Very low	82 Å²	82	86.2 Å²	86.2	38%	0.383	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-80.4	133	171	-76.5	-172	-8.3	0	0	110.6	N790 Q794	N790-Q796 PolarHBondContact O-NE2 3.27Å; Q794-Q796 PolarHBondContact O-N 2.92Å
797	K	42.8	Very low	46.2	Very low	138 Å²	138	90.5 Å²	90.5	60%	0.6	49%	0.49	S	S	*	.	B	Isolated β-bridge	trans	-63.1	144.5	167.8	-71.9	179.3	175.7	-175.3	0	110	S802	K797-S802 WeakPolarHBondContact CB-O 3.45Å; K797-S802 VanDerWaalsContact CD-O 3.31Å; K797-S802 WeakPolarHBondContact CD-O 3.49Å; K797-S802 VanDerWaalsContact CG-O 3.27Å; K797-S802 WeakPolarHBondContact CG-O 3.08Å
798	C	40.5	Very low	44.6	Very low	17 Å²	17	92.4 Å²	92.4	12%	0.115	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-53.3	126.5	174.6	-178.9	0	0	0	0	110.6	I800 C801 S802 E803 I805	C798-I800 PolarHBondContact O-N 3.16Å; C798-I800 VanDerWaalsContact O-N 3.09Å; C798-I800 PolarHBondContact SG-N 2.76Å; C798-I800 VanDerWaalsContact SG-N 3.41Å; C798-C801 WeakPolarHBondContact CB-SG 3.16Å; C798-C801 PolarHBondContact SG-N 2.98Å; C798-C801 VanDerWaalsContact SG-N 3.35Å; C798-C801 PolarHBondContact SG-SG 3.13Å; C798-S802 WeakPolarHBondContact O-CA 3.35Å; C798-S802 PolarHBondContact O-N 2.97Å; C798-E803 PolarHBondContact N-O 3.25Å; C798-I805 HydrophobicContact CB-CD1 3.8Å; C798-I805 HydrophobicContact CB-CG1 4.05Å
799	P	42.4	Very low	43.3	Very low	124 Å²	124	91.7 Å²	91.7	81%	0.805	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.1	177.8	26	-33.1	0	0	0	113.3
800	I	36.5	Very low	41.8	Very low	159 Å²	159	87.1 Å²	87.1	82%	0.815	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-44	179.7	-57.6	175.3	0	0	0	111.6	C798	C798-I800 PolarHBondContact O-N 3.16Å; C798-I800 VanDerWaalsContact O-N 3.09Å; C798-I800 PolarHBondContact SG-N 2.76Å; C798-I800 VanDerWaalsContact SG-N 3.41Å
801	C	44.2	Very low	40.6	Very low	77 Å²	77	87.1 Å²	87.1	52%	0.52	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	0.5	-176.9	68.2	0	0	0	0	114.8	C798 E803	C798-C801 WeakPolarHBondContact CB-SG 3.16Å; C798-C801 PolarHBondContact SG-N 2.98Å; C798-C801 VanDerWaalsContact SG-N 3.35Å; C798-C801 PolarHBondContact SG-SG 3.13Å; C801-E803 PolarHBondContact O-N 3.32Å
802	S	42.8	Very low	39.6	Very low	78 Å²	78	90.7 Å²	90.7	55%	0.545	49%	0.488	S	S	.	.			trans	58.7	10.9	-178.7	-57	0	0	0	0	116.6	K797 C798	K797-S802 WeakPolarHBondContact CB-O 3.45Å; K797-S802 VanDerWaalsContact CD-O 3.31Å; K797-S802 WeakPolarHBondContact CD-O 3.49Å; K797-S802 VanDerWaalsContact CG-O 3.27Å; K797-S802 WeakPolarHBondContact CG-O 3.08Å; C798-S802 WeakPolarHBondContact O-CA 3.35Å; C798-S802 PolarHBondContact O-N 2.97Å
803	E	35.2	Very low	38.8	Very low	132 Å²	132	90.8 Å²	90.8	62%	0.617	49%	0.489	S	S	*	.			trans	-86.7	150.3	178.6	-71.9	-64	163.1	0	0	113.6	C798 C801 I805	C798-E803 PolarHBondContact N-O 3.25Å; C801-E803 PolarHBondContact O-N 3.32Å; E803-I805 PolarHBondContact O-N 2.72Å; E803-I805 VanDerWaalsContact O-N 3.13Å
804	N	42.4	Very low	37.8	Very low	71 Å²	71	98.6 Å²	98.6	38%	0.38	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-75.7	94.4	176.1	-78.2	-27.8	0	0	0	110.3	L806	N804-L806 PolarHBondContact O-N 2.91Å
805	I	40	Very low	37.6	Very low	64 Å²	64	96.7 Å²	96.7	33%	0.328	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.8	-172.6	-64.9	174	0	0	0	113.6	C798 E803	C798-I805 HydrophobicContact CB-CD1 3.8Å; C798-I805 HydrophobicContact CB-CG1 4.05Å; E803-I805 PolarHBondContact O-N 2.72Å; E803-I805 VanDerWaalsContact O-N 3.13Å
806	L	39.6	Very low	37.4	Very low	26 Å²	26	96.6 Å²	96.6	14%	0.136	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.2	-167.6	-92.5	162.8	0	0	0	116.2	L795 N804 F808 V809 C810	L795-L806 HydrophobicContact CD2-CB 3.48Å; L795-L806 VanDerWaalsContact CD2-CB 3.48Å; L795-L806 HydrophobicContact CD2-CD1 3.54Å; L795-L806 HydrophobicContact CD2-CG 4.17Å; L795-L806 HydrophobicContact CG-CD1 4.42Å; N804-L806 PolarHBondContact O-N 2.91Å; L806-F808 PolarHBondContact O-N 2.67Å; L806-F808 VanDerWaalsContact O-N 3.08Å; L806-V809 PolarHBondContact O-N 2.69Å; L806-C810 HydrophobicContact CD2-CB 4.23Å; L806-C810 VanDerWaalsContact CD2-SG 3.53Å; L806-C810 PolarHBondContact O-N 3.17Å
807	F	35	Very low	37	Very low	155 Å²	155	97.4 Å²	97.4	68%	0.68	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.4	-169.5	-124.3	-80.6	0	0	0	114	S811	F807-S811 VanDerWaalsContact O-CB 3.3Å; F807-S811 WeakPolarHBondContact O-CB 3.12Å; F807-S811 PolarHBondContact O-OG 2.67Å
808	F	33.9	Very low	36.7	Very low	94 Å²	94	95 Å²	95	41%	0.412	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.1	-176.5	-136.4	-88.9	0	0	0	114.9	V100 N101 L806	V100-F808 HydrophobicContact CB-CE1 4.17Å; V100-F808 HydrophobicContact CB-CZ 4.01Å; V100-F808 HydrophobicContact CG1-CD1 4.22Å; V100-F808 HydrophobicContact CG1-CE1 3.58Å; V100-F808 HydrophobicContact CG1-CZ 3.92Å; V100-F808 HydrophobicContact CG2-CE1 4.06Å; V100-F808 HydrophobicContact CG2-CE2 3.86Å; V100-F808 HydrophobicContact CG2-CZ 3.5Å; V100-F808 VanDerWaalsContact CG2-CZ 3.5Å; N101-F808 HydrophobicContact CB-CE1 3.92Å; N101-F808 WeakPolarHBondContact ND2-CE1 3.03Å; L806-F808 PolarHBondContact O-N 2.67Å; L806-F808 VanDerWaalsContact O-N 3.08Å
809	V	32.6	Very low	36.4	Very low	65 Å²	65	99.9 Å²	99.9	39%	0.394	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-33.9	-174.8	174.6	0	0	0	0	112.3	R102 L806	R102-V809 PolarHBondContact NH1-O 2.7Å; R102-V809 VanDerWaalsContact NH1-O 3.14Å; R102-V809 VanDerWaalsContact NH2-CA 3.33Å; R102-V809 VanDerWaalsContact NH2-CG1 3.32Å; R102-V809 PolarHBondContact NH2-O 3.17Å; L806-V809 PolarHBondContact O-N 2.69Å
810	C	30.9	Very low	36	Very low	24 Å²	24	98.3 Å²	98.3	16%	0.162	50%	0.501	C	S	.	.	S	Bend	trans	-106.7	-4.5	-173.3	-68.6	0	0	0	0	114.7	L806 L812 L813	L806-C810 HydrophobicContact CD2-CB 4.23Å; L806-C810 VanDerWaalsContact CD2-SG 3.53Å; L806-C810 PolarHBondContact O-N 3.17Å; C810-L812 PolarHBondContact O-N 3.46Å; C810-L813 HydrophobicContact CB-CD1 4.38Å; C810-L813 WeakPolarHBondContact O-CB 3.16Å; C810-L813 PolarHBondContact O-N 3.41Å
811	S	32.1	Very low	36	Very low	64 Å²	64	93.9 Å²	93.9	45%	0.448	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-6.6	169	38.2	0	0	0	0	113.8	F807	F807-S811 VanDerWaalsContact O-CB 3.3Å; F807-S811 WeakPolarHBondContact O-CB 3.12Å; F807-S811 PolarHBondContact O-OG 2.67Å
812	L	33.8	Very low	35.4	Very low	104 Å²	104	95.2 Å²	95.2	55%	0.545	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.8	169.7	-89.1	152.5	0	0	0	113.8	C810	C810-L812 PolarHBondContact O-N 3.46Å
813	L	33.9	Very low	34.8	Very low	86 Å²	86	96.7 Å²	96.7	45%	0.45	47%	0.469	S	S	.	.			trans	-106.2	-2.9	179.7	-75.4	166.1	0	0	0	113.8	L701 C810	L701-L813 HydrophobicContact CD1-CD1 4.27Å; C810-L813 HydrophobicContact CB-CD1 4.38Å; C810-L813 WeakPolarHBondContact O-CB 3.16Å; C810-L813 PolarHBondContact O-N 3.41Å
814	Y	27.8	Very low	34.7	Very low	275 Å²	275	93.5 Å²	93.5	100%	1.078	46%	0.456	S	S	*	.			trans	-104.5	0	163.1	-96.7	-87.6	0	0	0	107.9

Retrieved 814 of 814 residues in 274.2 ms (Link to these results)

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