A0A3Q0KQP4_SCHMA Loading...

Putative growth factor receptor-bound protein

AlphaFold DB , UniProt , Accession A0A3Q0KQP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 882 aa.

						>A0A3Q0KQP4_SCHMA|A0A3Q0KQP4
MANLDFTELDKWMTDLNNLQLDLHQTRASDDKTNQNAVNNNNSQPNNKSSVQYRYSAELVDATHQNTRTGYSTQRVDDSIQGNCYLPRTNLPHIQQAQHDSQLKKPQKTINFLNSTEARDTNNSQAIADIRNRKYQKHEYGIQSSKDNRSSYTLSCNNGSCIGRSVLENSVTNSNDINNFNYGLKNFKNKADYQTRTTSGKEQKSVHWSEDLDTSNSNRKQLTSDIATLNNNNKIIPTNFDSINTTIPTTTTNNIDSVTSNVNNNLVNSYGTGYPQFRRQQLSVRDVSNDNVTKAYSCSKNIEEFLRRRSLSSNPANASNQMIRSQSLYAYLSMRNESANNVAKTSANALANTTFSIKPDNSRNIVDVQPKLPLKQMAVTTSTTPNNNSNHRQSDNYSEYSIARRSVCSSVYGAESSISPNLSTELHLSSNRRSISPSFQRFSNQSETDGVVDKHQSNKTNLTVQIFLPDRTSIHIPVHSTTTTLQALQKLCSTNQKLLTMKHALVERIPVLHLERCLEDDEYLFNYLSSWKIGNENLIFLEERQDLYGLFESSKSWLGEHHSTFNINSNKNIFYRNENIPIPVHTDQLYLRIGQTKWKRRYCHLNSNGFYVSKQKIMNKSQLTRLNIFQPNLYLYITISDQNQTESPTPFGMVVRPHSTQQADSRLIIEMCAINEESWRKWYSLLRITLIGKRLYTNYIVRMDTVKIHRENFSHSDYSLRNSSRFNSLNDRPISSTVSELDSDHILGDLHSITPNYKTNSAKIEFPPKSGSYSVTDLTKPIQLDNHMINGRNQQSNEASSLTSLTLYPIQTPSQKSINRQSRLDKQNIKSVKKRIFGNGPSARRCTRSISHISSPFNISLPYWIRASYEDKMNETLNETVL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	53.7	Low	252 Å²	252	135.4 Å²	135.4	100%	1.241	71%	0.709	S	S	*	*				0	105.8	0	-76.3	174.1	160.5	0	0	108.2
2	A	32.7	Very low	55.3	Low	92 Å²	92	139.6 Å²	139.6	76%	0.76	71%	0.709	S	S	*	*			trans	-148.1	167.7	174.7	0	0	0	0	0	107.1
3	N	36.3	Very low	56.4	Low	165 Å²	165	135.8 Å²	135.8	88%	0.882	69%	0.689	S	S	*	*			trans	64.2	72.1	-171.7	-54.2	0	0	0	0	113.1
4	L	39.2	Very low	58.1	Low	155 Å²	155	131.3 Å²	131.3	81%	0.812	67%	0.671	S	S	*	*			trans	-93	126.3	143	-82.6	165.5	0	0	0	106.3
5	D	44.9	Very low	59.5	Low	123 Å²	123	127.4 Å²	127.4	66%	0.658	65%	0.653	S	S	*	*			trans	-79.8	142.8	175	-169.4	6	0	0	0	110.1	T7	D5-T7 WeakPolarHBondContact OD1-CG2 3.36Å; D5-T7 PolarHBondContact OD1-N 3.16Å; D5-T7 VanDerWaalsContact OD1-N 3.07Å; D5-T7 PolarHBondContact OD1-OG1 3.44Å; D5-T7 WeakPolarHBondContact OD2-CG2 3.36Å; D5-T7 PolarHBondContact OD2-OG1 3.49Å
6	F	59.7	Low	60.3	Low	133 Å²	133	125.5 Å²	125.5	58%	0.583	64%	0.644	S	S	*	*			trans	-107.4	-4.2	-179.9	-72.5	-86.8	0	0	0	113	E8 L9 D10	F6-E8 PolarHBondContact O-N 3.24Å; F6-L9 HydrophobicContact CD1-CD2 4.18Å; F6-L9 WeakPolarHBondContact O-CA 3.48Å; F6-L9 WeakPolarHBondContact O-CB 3.48Å; F6-L9 PolarHBondContact O-N 3.38Å; F6-D10 PolarHBondContact O-N 3.01Å; F6-D10 VanDerWaalsContact O-N 3.08Å
7	T	68.8	Low	61.2	Low	91 Å²	91	123.9 Å²	123.9	56%	0.558	64%	0.637	S	S	*	*	H	α-helix	trans	-51.4	-39.5	179.5	52.2	0	0	0	0	113.8	D5 L9 D10 K11	D5-T7 WeakPolarHBondContact OD1-CG2 3.36Å; D5-T7 PolarHBondContact OD1-N 3.16Å; D5-T7 VanDerWaalsContact OD1-N 3.07Å; D5-T7 PolarHBondContact OD1-OG1 3.44Å; D5-T7 WeakPolarHBondContact OD2-CG2 3.36Å; D5-T7 PolarHBondContact OD2-OG1 3.49Å; T7-L9 VanDerWaalsContact C-N 3.34Å; T7-L9 PolarHBondContact O-N 3Å; T7-D10 PolarHBondContact O-N 3.4Å; T7-K11 WeakPolarHBondContact O-CB 3.44Å; T7-K11 PolarHBondContact O-N 3.04Å
8	E	60.3	Low	62.1	Low	153 Å²	153	121.4 Å²	121.4	72%	0.715	63%	0.625	S	S	*	*	H	α-helix	trans	-69	-30.6	178.2	-167.6	168.7	-134.7	0	0	112.7	F6 W12	F6-E8 PolarHBondContact O-N 3.24Å; E8-W12 PolarHBondContact O-N 3.24Å; E8-W12 VanDerWaalsContact O-N 3.12Å
9	L	62.4	Low	62.8	Low	99 Å²	99	121.3 Å²	121.3	52%	0.518	63%	0.625	S	S	.	*	H	α-helix	trans	-73.6	-43.4	175.9	-164.8	82	0	0	0	111.5	F6 T7 K11 W12 M13	F6-L9 HydrophobicContact CD1-CD2 4.18Å; F6-L9 WeakPolarHBondContact O-CA 3.48Å; F6-L9 WeakPolarHBondContact O-CB 3.48Å; F6-L9 PolarHBondContact O-N 3.38Å; T7-L9 VanDerWaalsContact C-N 3.34Å; T7-L9 PolarHBondContact O-N 3Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-W12 PolarHBondContact O-N 3.17Å; L9-M13 HydrophobicContact CD2-CE 4.31Å; L9-M13 HydrophobicContact CG-CE 4.32Å; L9-M13 PolarHBondContact O-N 3.2Å
10	D	70.4	Confident	63	Low	92 Å²	92	121.2 Å²	121.2	49%	0.492	62%	0.621	S	S	.	*	H	α-helix	trans	-66.3	-35.7	177	-75.1	-20.5	0	0	0	111.4	F6 T7 M13 T14	F6-D10 PolarHBondContact O-N 3.01Å; F6-D10 VanDerWaalsContact O-N 3.08Å; T7-D10 PolarHBondContact O-N 3.4Å; D10-M13 PolarHBondContact O-N 3.15Å; D10-M13 WeakPolarHBondContact OD1-CE 3.45Å; D10-T14 WeakPolarHBondContact O-CB 3.08Å; D10-T14 PolarHBondContact O-N 2.71Å; D10-T14 PolarHBondContact O-OG1 3.01Å
11	K	77.2	Confident	63.5	Low	134 Å²	134	120.2 Å²	120.2	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-60.2	-50.1	169.7	-172.9	-177.9	175.7	-173.5	0	111.4	T7 L9 M13 T14 D15	T7-K11 WeakPolarHBondContact O-CB 3.44Å; T7-K11 PolarHBondContact O-N 3.04Å; L9-K11 VanDerWaalsContact C-N 3.32Å; K11-M13 VanDerWaalsContact C-N 3.3Å; K11-M13 PolarHBondContact O-N 3.44Å; K11-T14 WeakPolarHBondContact O-CA 3.31Å; K11-T14 WeakPolarHBondContact O-CB 3.38Å; K11-T14 PolarHBondContact O-N 3.35Å; K11-D15 PolarHBondContact O-N 3.31Å
12	W	73.3	Confident	65.1	Low	186 Å²	186	112.6 Å²	112.6	71%	0.705	58%	0.581	S	S	*	*	H	α-helix	trans	-58.6	-38.2	177.6	-112.9	67.8	0	0	0	113.3	E8 L9 L16	E8-W12 PolarHBondContact O-N 3.24Å; E8-W12 VanDerWaalsContact O-N 3.12Å; L9-W12 PolarHBondContact O-N 3.17Å; W12-L16 WeakPolarHBondContact O-CB 3.38Å; W12-L16 PolarHBondContact O-N 3.46Å; W12-L16 VanDerWaalsContact O-N 3.11Å
13	M	69.7	Low	66.6	Low	90 Å²	90	113.9 Å²	113.9	44%	0.443	57%	0.574	S	S	.	*	H	α-helix	trans	-69.9	-32.9	174.6	-71	-172.9	-67.4	0	0	112.6	L9 D10 K11 N17	L9-M13 HydrophobicContact CD2-CE 4.31Å; L9-M13 HydrophobicContact CG-CE 4.32Å; L9-M13 PolarHBondContact O-N 3.2Å; D10-M13 PolarHBondContact O-N 3.15Å; D10-M13 WeakPolarHBondContact OD1-CE 3.45Å; K11-M13 VanDerWaalsContact C-N 3.3Å; K11-M13 PolarHBondContact O-N 3.44Å; M13-N17 VanDerWaalsContact O-CG 3.31Å; M13-N17 PolarHBondContact O-N 3.31Å; M13-N17 VanDerWaalsContact O-N 3.13Å; M13-N17 PolarHBondContact O-ND2 2.96Å; M13-N17 VanDerWaalsContact O-ND2 3.08Å
14	T	79.7	Confident	68	Low	73 Å²	73	111.5 Å²	111.5	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-68	-47.4	175	-55	0	0	0	0	111.1	D10 K11 L16 N17 N18	D10-T14 WeakPolarHBondContact O-CB 3.08Å; D10-T14 PolarHBondContact O-N 2.71Å; D10-T14 PolarHBondContact O-OG1 3.01Å; K11-T14 WeakPolarHBondContact O-CA 3.31Å; K11-T14 WeakPolarHBondContact O-CB 3.38Å; K11-T14 PolarHBondContact O-N 3.35Å; T14-L16 VanDerWaalsContact C-N 3.29Å; T14-L16 PolarHBondContact O-N 3Å; T14-N17 PolarHBondContact O-N 3.27Å; T14-N17 VanDerWaalsContact O-N 3.15Å; T14-N18 PolarHBondContact O-N 3.3Å; T14-N18 PolarHBondContact O-ND2 3.27Å
15	D	79.2	Confident	69.1	Low	73 Å²	73	110.2 Å²	110.2	39%	0.39	55%	0.548	S	S	.	.	H	α-helix	trans	-61.6	-36.7	177.8	-66.3	-25.6	0	0	0	111.6	K11 N18 L19	K11-D15 PolarHBondContact O-N 3.31Å; D15-N18 PolarHBondContact O-N 3.46Å; D15-L19 PolarHBondContact O-N 2.98Å; D15-L19 VanDerWaalsContact O-N 3.09Å
16	L	72.7	Confident	69.7	Low	97 Å²	97	108 Å²	108	51%	0.508	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-41.1	173	-107	166.1	0	0	0	113.5	W12 T14 Q20	W12-L16 WeakPolarHBondContact O-CB 3.38Å; W12-L16 PolarHBondContact O-N 3.46Å; W12-L16 VanDerWaalsContact O-N 3.11Å; T14-L16 VanDerWaalsContact C-N 3.29Å; T14-L16 PolarHBondContact O-N 3Å; L16-Q20 PolarHBondContact O-N 3.42Å; L16-Q20 VanDerWaalsContact O-N 3.09Å
17	N	75	Confident	69.1	Low	99 Å²	99	110 Å²	110	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-66.3	-38.9	177.1	-73	-36.8	0	0	0	111.4	M13 T14 Q20 L21	M13-N17 VanDerWaalsContact O-CG 3.31Å; M13-N17 PolarHBondContact O-N 3.31Å; M13-N17 VanDerWaalsContact O-N 3.13Å; M13-N17 PolarHBondContact O-ND2 2.96Å; M13-N17 VanDerWaalsContact O-ND2 3.08Å; T14-N17 PolarHBondContact O-N 3.27Å; T14-N17 VanDerWaalsContact O-N 3.15Å; N17-Q20 PolarHBondContact O-N 2.76Å; N17-L21 WeakPolarHBondContact O-CG 3.45Å; N17-L21 PolarHBondContact O-N 3.07Å
18	N	78.1	Confident	68.1	Low	78 Å²	78	108 Å²	108	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-62.4	-49.5	175.9	-66.2	-23	0	0	0	111.2	T14 D15 Q20 L21 D22	T14-N18 PolarHBondContact O-N 3.3Å; T14-N18 PolarHBondContact O-ND2 3.27Å; D15-N18 PolarHBondContact O-N 3.46Å; N18-Q20 PolarHBondContact O-N 3.24Å; N18-L21 WeakPolarHBondContact O-CB 3.45Å; N18-L21 PolarHBondContact O-N 3.19Å; N18-D22 PolarHBondContact O-N 3.49Å
19	L	74.1	Confident	67.6	Low	119 Å²	119	103.9 Å²	103.9	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-56.8	-36.5	174.8	-80.7	165.3	0	0	0	113	D15 L23	D15-L19 PolarHBondContact O-N 2.98Å; D15-L19 VanDerWaalsContact O-N 3.09Å; L19-L23 PolarHBondContact O-N 3.05Å; L19-L23 VanDerWaalsContact O-N 3.14Å
20	Q	66.6	Low	66.8	Low	119 Å²	119	103.7 Å²	103.7	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-73.1	-31.7	176.7	-170.8	168.7	-23.8	0	0	112.6	L16 N17 N18 H24	L16-Q20 PolarHBondContact O-N 3.42Å; L16-Q20 VanDerWaalsContact O-N 3.09Å; N17-Q20 PolarHBondContact O-N 2.76Å; N18-Q20 PolarHBondContact O-N 3.24Å; Q20-H24 PolarHBondContact O-CD2 2.91Å; Q20-H24 VanDerWaalsContact O-CD2 3.25Å; Q20-H24 PolarHBondContact O-N 3.35Å
21	L	74.8	Confident	65.6	Low	102 Å²	102	104.7 Å²	104.7	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-67.9	-43.2	172.4	-72.4	167.3	0	0	0	111.7	N17 N18 L23 H24 Q25	N17-L21 WeakPolarHBondContact O-CG 3.45Å; N17-L21 PolarHBondContact O-N 3.07Å; N18-L21 WeakPolarHBondContact O-CB 3.45Å; N18-L21 PolarHBondContact O-N 3.19Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 3.48Å; L21-H24 PolarHBondContact O-N 3.45Å; L21-Q25 PolarHBondContact O-N 3.13Å
22	D	72.6	Confident	63.9	Low	91 Å²	91	105.6 Å²	105.6	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-37.7	176.6	-66.7	-21.7	0	0	0	111.8	N18 H24 Q25 T26	N18-D22 PolarHBondContact O-N 3.49Å; D22-H24 VanDerWaalsContact C-N 3.26Å; D22-H24 PolarHBondContact O-N 3.27Å; D22-Q25 PolarHBondContact O-N 3.15Å; D22-T26 PolarHBondContact O-N 3.47Å; D22-T26 PolarHBondContact O-OG1 3.45Å
23	L	64.3	Low	62.4	Low	119 Å²	119	101 Å²	101	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-66.7	-25	174.4	-150	83.5	0	0	0	113.3	L19 L21 T26	L19-L23 PolarHBondContact O-N 3.05Å; L19-L23 VanDerWaalsContact O-N 3.14Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 3.48Å; L23-T26 WeakPolarHBondContact CA-OG1 3.29Å; L23-T26 PolarHBondContact O-OG1 2.72Å
24	H	64.1	Low	60.9	Low	116 Å²	116	101.8 Å²	101.8	54%	0.537	53%	0.531	S	S	.	.	H	α-helix	trans	-83.1	-35.4	172.3	-86.5	-71.3	0	0	0	112.5	Q20 L21 D22 A28	Q20-H24 PolarHBondContact O-CD2 2.91Å; Q20-H24 VanDerWaalsContact O-CD2 3.25Å; Q20-H24 PolarHBondContact O-N 3.35Å; L21-H24 PolarHBondContact O-N 3.45Å; D22-H24 VanDerWaalsContact C-N 3.26Å; D22-H24 PolarHBondContact O-N 3.27Å; H24-A28 WeakPolarHBondContact O-CB 3.46Å; H24-A28 PolarHBondContact O-N 3.2Å
25	Q	63.2	Low	58.9	Low	128 Å²	128	106.1 Å²	106.1	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-70.4	-37.1	177	-69.3	-172.6	41	0	0	112.9	L21 D22 A28 S29	L21-Q25 PolarHBondContact O-N 3.13Å; D22-Q25 PolarHBondContact O-N 3.15Å; Q25-A28 PolarHBondContact O-N 3.07Å; Q25-S29 PolarHBondContact O-N 3.12Å; Q25-S29 VanDerWaalsContact O-N 3.15Å; Q25-S29 PolarHBondContact O-OG 3.2Å
26	T	58.3	Low	56.9	Low	76 Å²	76	109.3 Å²	109.3	47%	0.466	56%	0.563	S	S	.	*	H	α-helix	trans	-61.9	-52.2	173.1	41	0	0	0	0	111.3	D22 L23 A28 S29 D30	D22-T26 PolarHBondContact O-N 3.47Å; D22-T26 PolarHBondContact O-OG1 3.45Å; L23-T26 WeakPolarHBondContact CA-OG1 3.29Å; L23-T26 PolarHBondContact O-OG1 2.72Å; T26-A28 VanDerWaalsContact C-N 3.33Å; T26-A28 PolarHBondContact O-N 3.28Å; T26-S29 WeakPolarHBondContact O-CA 3.22Å; T26-S29 VanDerWaalsContact O-CB 3.26Å; T26-S29 WeakPolarHBondContact O-CB 3.48Å; T26-S29 PolarHBondContact O-N 3.02Å; T26-D30 PolarHBondContact O-N 3.1Å; T26-D30 VanDerWaalsContact O-N 3.09Å
27	R	46.5	Very low	55	Low	175 Å²	175	108.5 Å²	108.5	66%	0.66	57%	0.57	S	S	*	*	H	α-helix	trans	-54.3	-44.4	172.6	-93.7	179.8	159.4	174.7	-8.4	113.6	S29 D30 D31	R27-S29 PolarHBondContact O-N 2.96Å; R27-S29 VanDerWaalsContact O-N 3.13Å; R27-D30 PolarHBondContact O-N 2.77Å; R27-D31 PolarHBondContact O-N 3.08Å; R27-D31 VanDerWaalsContact O-N 3.13Å
28	A	48.1	Very low	53.2	Low	50 Å²	50	109.5 Å²	109.5	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-68.6	-6.8	177	0	0	0	0	0	114.4	H24 Q25 T26	H24-A28 WeakPolarHBondContact O-CB 3.46Å; H24-A28 PolarHBondContact O-N 3.2Å; Q25-A28 PolarHBondContact O-N 3.07Å; T26-A28 VanDerWaalsContact C-N 3.33Å; T26-A28 PolarHBondContact O-N 3.28Å
29	S	50.1	Low	50.9	Low	66 Å²	66	112.4 Å²	112.4	46%	0.462	60%	0.595	S	S	.	*	H	α-helix	trans	-94.4	-41.3	171.9	-55.4	0	0	0	0	111.2	Q25 T26 R27 D31 K32 T33	Q25-S29 PolarHBondContact O-N 3.12Å; Q25-S29 VanDerWaalsContact O-N 3.15Å; Q25-S29 PolarHBondContact O-OG 3.2Å; T26-S29 WeakPolarHBondContact O-CA 3.22Å; T26-S29 VanDerWaalsContact O-CB 3.26Å; T26-S29 WeakPolarHBondContact O-CB 3.48Å; T26-S29 PolarHBondContact O-N 3.02Å; R27-S29 PolarHBondContact O-N 2.96Å; R27-S29 VanDerWaalsContact O-N 3.13Å; S29-D31 VanDerWaalsContact C-N 3.35Å; S29-D31 PolarHBondContact O-N 3.4Å; S29-K32 WeakPolarHBondContact O-CB 3.4Å; S29-K32 PolarHBondContact O-N 3.31Å; S29-T33 PolarHBondContact O-N 3.3Å
30	D	44.1	Very low	48.8	Very low	95 Å²	95	114 Å²	114	51%	0.508	61%	0.605	S	S	.	*	H	α-helix	trans	-65.9	-33.4	177	-64.6	-36	0	0	0	113	T26 R27 K32 T33 N34	T26-D30 PolarHBondContact O-N 3.1Å; T26-D30 VanDerWaalsContact O-N 3.09Å; R27-D30 PolarHBondContact O-N 2.77Å; D30-K32 PolarHBondContact O-N 3.08Å; D30-T33 WeakPolarHBondContact CA-OG1 3.49Å; D30-T33 PolarHBondContact O-OG1 3.15Å; D30-N34 PolarHBondContact O-N 3.14Å; D30-N34 PolarHBondContact O-ND2 3.45Å
31	D	44.8	Very low	46.9	Very low	113 Å²	113	116.1 Å²	116.1	60%	0.604	62%	0.619	S	S	*	*	H	α-helix	trans	-65.7	-25.5	172.2	-77.5	-32.6	0	0	0	112.4	R27 S29	R27-D31 PolarHBondContact O-N 3.08Å; R27-D31 VanDerWaalsContact O-N 3.13Å; S29-D31 VanDerWaalsContact C-N 3.35Å; S29-D31 PolarHBondContact O-N 3.4Å
32	K	42.8	Very low	44.7	Very low	153 Å²	153	118.5 Å²	118.5	67%	0.665	63%	0.633	S	S	*	*	H	α-helix	trans	-86.6	-28.9	179.5	-70.5	178.6	-179.1	174.1	0	113.6	S29 D30 N36	S29-K32 WeakPolarHBondContact O-CB 3.4Å; S29-K32 PolarHBondContact O-N 3.31Å; D30-K32 PolarHBondContact O-N 3.08Å; K32-N36 PolarHBondContact O-ND2 2.88Å
33	T	42.1	Very low	42.7	Very low	89 Å²	89	119.9 Å²	119.9	55%	0.546	65%	0.649	S	S	.	*	H	α-helix	trans	-72.6	-40	172.1	46.4	0	0	0	0	110.9	S29 D30 Q35 N36	S29-T33 PolarHBondContact O-N 3.3Å; D30-T33 WeakPolarHBondContact CA-OG1 3.49Å; D30-T33 PolarHBondContact O-OG1 3.15Å; T33-Q35 PolarHBondContact O-N 2.71Å; T33-N36 PolarHBondContact O-N 2.92Å
34	N	37.5	Very low	41.2	Very low	107 Å²	107	123 Å²	123	57%	0.572	66%	0.661	S	S	*	*	H	α-helix	trans	-67.1	-32.8	179.9	-78.8	-67.6	0	0	0	114.5	D30 N36 A37	D30-N34 PolarHBondContact O-N 3.14Å; D30-N34 PolarHBondContact O-ND2 3.45Å; N34-N36 VanDerWaalsContact C-N 3.25Å; N34-N36 PolarHBondContact O-N 3.48Å; N34-A37 PolarHBondContact O-N 3.28Å
35	Q	38.7	Very low	40.1	Very low	163 Å²	163	122.3 Å²	122.3	76%	0.762	67%	0.667	S	S	*	*	H	α-helix	trans	-69.5	-20	176.5	-73	-168.8	2.7	0	0	114.1	T33	T33-Q35 PolarHBondContact O-N 2.71Å
36	N	36.7	Very low	38.5	Very low	140 Å²	140	123.2 Å²	123.2	75%	0.749	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-3.3	176.8	-72.8	-54	0	0	0	113.8	K32 T33 N34	K32-N36 PolarHBondContact O-ND2 2.88Å; T33-N36 PolarHBondContact O-N 2.92Å; N34-N36 VanDerWaalsContact C-N 3.25Å; N34-N36 PolarHBondContact O-N 3.48Å
37	A	33.5	Very low	37.3	Very low	80 Å²	80	125.2 Å²	125.2	66%	0.661	68%	0.684	S	S	*	*	S	Bend	trans	-94.4	-6.2	-174.6	0	0	0	0	0	115.1	N34	N34-A37 PolarHBondContact O-N 3.28Å
38	V	35.6	Very low	36.7	Very low	121 Å²	121	126.3 Å²	126.3	73%	0.733	69%	0.693	S	S	*	*	S	Bend	trans	-103.9	-22.9	-172.2	-178.2	0	0	0	0	113.3
39	N	31.1	Very low	36	Very low	139 Å²	139	130 Å²	130	74%	0.743	72%	0.716	S	S	*	*	S	Bend	trans	-106.3	73.2	-179.1	-79	-20.3	0	0	0	112.3
40	N	29.4	Very low	35.1	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	73%	0.731	S	S	*	*			trans	-166	79.4	155.4	-101.1	-30.8	0	0	0	112
41	N	26.7	Very low	34.6	Very low	162 Å²	162	134.6 Å²	134.6	87%	0.866	75%	0.749	S	S	*	*			trans	-136.1	73.5	166.9	-99	-36.4	0	0	0	109.5
42	N	29.2	Very low	33.8	Very low	153 Å²	153	136 Å²	136	82%	0.818	75%	0.752	S	S	*	*			trans	-166	158.8	160.6	-102.9	-38.8	0	0	0	111.1
43	S	29.8	Very low	33.2	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	77%	0.765	S	S	*	*			trans	57.1	95	173.9	49.1	0	0	0	0	118
44	Q	32.5	Very low	32.6	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	78%	0.775	S	S	*	*			trans	-118.4	165.7	144.9	-109.2	-148.3	-2.7	0	0	108.1
45	P	41.5	Very low	32.2	Very low	102 Å²	102	151.9 Å²	151.9	66%	0.662	79%	0.793	S	S	*	*			cis	-133	-177.3	-33.5	37.1	-21.7	0	0	0	111.3
46	N	30.1	Very low	31.8	Very low	147 Å²	147	149 Å²	149	79%	0.786	79%	0.791	S	S	*	*			trans	-154.1	146.6	149	-129.6	-30.6	0	0	0	114.7
47	N	33.6	Very low	31.4	Very low	119 Å²	119	147.1 Å²	147.1	64%	0.636	80%	0.795	S	S	*	*			trans	56.7	91.1	166.8	-69.6	-38.2	0	0	0	121.6
48	K	32.5	Very low	31.2	Very low	198 Å²	198	151.7 Å²	151.7	86%	0.861	80%	0.802	S	S	*	*				49.6	109.2	112.1	-63.4	172	-178.9	174.4	0	119.6
49	S	34.7	Very low	31	Very low	127 Å²	127	152.5 Å²	152.5	89%	0.888	80%	0.802	S	S	*	*				-138	161.2	121.7	68.8	0	0	0	0	108.8
50	S	30.7	Very low	30.9	Very low	111 Å²	111	152.4 Å²	152.4	78%	0.776	81%	0.806	S	S	*	*			trans	-133.6	133.3	-159.8	57.5	0	0	0	0	114.7
51	V	32.5	Very low	30.9	Very low	147 Å²	147	152.3 Å²	152.3	89%	0.891	81%	0.805	S	S	*	*			trans	-128.8	141.4	155.4	179.9	0	0	0	0	107.7
52	Q	29	Very low	31	Very low	142 Å²	142	148 Å²	148	66%	0.664	79%	0.792	S	S	*	*			trans	-86.7	145.4	-169.6	-59.3	157.1	-84.4	0	0	112.3
53	Y	29.2	Very low	31	Very low	241 Å²	241	146.2 Å²	146.2	95%	0.945	79%	0.787	S	S	*	*				-138.8	143.8	121.8	-97.1	-77.9	0	0	0	108.8
54	R	29.7	Very low	31.1	Very low	198 Å²	198	148.8 Å²	148.8	75%	0.747	79%	0.785	S	S	*	*			trans	-97.6	144.2	-179.1	-66.1	176.4	174.6	163.9	-3.4	110.3
55	Y	30.6	Very low	31.2	Very low	244 Å²	244	148.4 Å²	148.4	96%	0.957	78%	0.784	S	S	*	*				-152.5	149	109.6	-111.3	-78.4	0	0	0	109.3
56	S	30.4	Very low	30.6	Very low	102 Å²	102	150.1 Å²	150.1	71%	0.713	79%	0.787	S	S	*	*			trans	-99.6	163.8	-160	-53.1	0	0	0	0	114
57	A	26.6	Very low	30.7	Very low	100 Å²	100	149.4 Å²	149.4	83%	0.826	79%	0.789	S	S	*	*			trans	-121.1	124.3	162.7	0	0	0	0	0	110
58	E	30.8	Very low	30.6	Very low	177 Å²	177	154.3 Å²	154.3	83%	0.827	80%	0.798	S	S	*	*			trans	-147.7	152.6	171	-72.2	-175.3	153	0	0	105.6
59	L	31.1	Very low	30.6	Very low	137 Å²	137	150.4 Å²	150.4	72%	0.717	79%	0.791	S	S	*	*			cis	-143.9	170.6	-0.4	-152.9	76.9	0	0	0	108.1
60	V	28.1	Very low	30.5	Very low	138 Å²	138	147.5 Å²	147.5	84%	0.836	78%	0.782	S	S	*	*			trans	-114.1	121.9	162.9	173.3	0	0	0	0	107.9
61	D	30.6	Very low	30.5	Very low	150 Å²	150	153.5 Å²	153.5	80%	0.802	79%	0.789	S	S	*	*			trans	-155.3	173.7	158.1	-134.7	-32.9	0	0	0	113
62	A	28.5	Very low	30.4	Very low	71 Å²	71	151.6 Å²	151.6	59%	0.587	78%	0.782	S	S	*	*			trans	-91.2	160.2	-145.3	0	0	0	0	0	119.3
63	T	27.7	Very low	30.8	Very low	116 Å²	116	150.7 Å²	150.7	71%	0.712	79%	0.786	S	S	*	*			trans	55.9	116.1	145.9	49.1	0	0	0	0	121.3
64	H	32.2	Very low	31	Very low	173 Å²	173	147.1 Å²	147.1	80%	0.801	78%	0.778	S	S	*	*				-179.1	169.8	95.7	-104.1	-73.2	0	0	0	113.8
65	Q	35	Very low	31.1	Very low	177 Å²	177	148.4 Å²	148.4	83%	0.827	78%	0.783	S	S	*	*			trans	70.6	107.9	173.4	-45.9	-168	14.4	0	0	115.3
66	N	29.8	Very low	31.2	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	77%	0.772	S	S	*	*				87.1	103.4	56	-81.2	-8.8	0	0	0	115.4
67	T	32.5	Very low	31.3	Very low	133 Å²	133	144.9 Å²	144.9	82%	0.816	78%	0.777	S	S	*	*			trans	66.7	153.8	142.5	65.9	0	0	0	0	118.6
68	R	30.7	Very low	31.4	Very low	221 Å²	221	148.3 Å²	148.3	83%	0.834	78%	0.781	S	S	*	*			cis	-149.8	147.3	4.6	-145.6	-171.9	159.3	156.2	-4.4	112.4
69	T	32.4	Very low	31.5	Very low	116 Å²	116	145 Å²	145	71%	0.712	78%	0.778	S	S	*	*			trans	-1.2	140.8	156.7	58.1	0	0	0	0	121.3
70	G	31.7	Very low	31.6	Very low	67 Å²	67	145.7 Å²	145.7	69%	0.691	78%	0.781	S	S	*	*			trans	-139.2	16.1	170.8	0	0	0	0	0	117.6
71	Y	32.1	Very low	31.6	Very low	237 Å²	237	148.3 Å²	148.3	93%	0.929	78%	0.784	S	S	*	*			trans	-143.9	161	169.6	-81.7	-68.7	0	0	0	111.7
72	S	30.7	Very low	31.6	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	78%	0.784	S	S	*	*			trans	-136.8	164.8	-168.9	-170.7	0	0	0	0	112.6
73	T	37.3	Very low	31.6	Very low	122 Å²	122	149.4 Å²	149.4	75%	0.748	80%	0.798	S	S	*	*			trans	64	139.5	-179	73.3	0	0	0	0	117.7
74	Q	33.3	Very low	31.5	Very low	166 Å²	166	148.8 Å²	148.8	78%	0.776	80%	0.797	S	S	*	*			cis	-169.4	158.3	-30.3	-134.2	176.8	5.3	0	0	108.8
75	R	32	Very low	31.4	Very low	226 Å²	226	151.5 Å²	151.5	85%	0.853	80%	0.802	S	S	*	*			trans	71.4	129.6	179.6	-53.1	179.8	-171.9	-174.7	0.7	113.4
76	V	32.7	Very low	31.1	Very low	121 Å²	121	150.5 Å²	150.5	73%	0.733	80%	0.802	S	S	*	*			cis	68.7	92.6	13.3	-166.2	0	0	0	0	114.2
77	D	31.9	Very low	31.5	Very low	151 Å²	151	150 Å²	150	81%	0.807	81%	0.806	S	S	*	*				-166.6	143.8	96.7	-97.9	-44.2	0	0	0	111.4
78	D	28.8	Very low	31.3	Very low	171 Å²	171	154.9 Å²	154.9	91%	0.914	81%	0.809	S	S	*	*			trans	-92.4	133.4	172.7	-95	-50	0	0	0	110.6
79	S	32	Very low	31.4	Very low	108 Å²	108	150.3 Å²	150.3	76%	0.755	81%	0.806	S	S	*	*			trans	-142.1	102.1	170.8	47.1	0	0	0	0	113.8
80	I	33.7	Very low	31.3	Very low	152 Å²	152	152.1 Å²	152.1	78%	0.779	81%	0.812	S	S	*	*			trans	38.9	109.3	136.9	-53.5	175.9	0	0	0	117.9
81	Q	28.2	Very low	31.2	Very low	193 Å²	193	156.8 Å²	156.8	90%	0.902	82%	0.82	S	S	*	*			trans	21.5	99.7	141.3	-62.4	173.8	-60.8	0	0	118.3
82	G	29.9	Very low	31.9	Very low	78 Å²	78	150.2 Å²	150.2	80%	0.804	81%	0.806	S	S	*	*			trans	-113.9	122.4	160	0	0	0	0	0	111
83	N	29.6	Very low	32.1	Very low	166 Å²	166	153.2 Å²	153.2	89%	0.888	81%	0.808	S	S	*	*			trans	-78.6	156.1	-175.9	-88.6	-45.4	0	0	0	113.9
84	C	25.9	Very low	31.9	Very low	103 Å²	103	153.8 Å²	153.8	70%	0.696	81%	0.805	S	S	*	*			trans	-56	154.8	161.7	-51.6	0	0	0	0	111.8
85	Y	29.7	Very low	31.9	Very low	229 Å²	229	154.2 Å²	154.2	90%	0.898	81%	0.807	S	S	*	*				179.3	149.9	112.3	-96.9	-65.4	0	0	0	112.7
86	L	28.4	Very low	31.7	Very low	156 Å²	156	152.5 Å²	152.5	82%	0.817	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-80.7	145.4	168.4	-75.6	158.1	0	0	0	110.8
87	P	39.1	Very low	31.7	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.5	136	169.4	29.6	-33.1	0	0	0	111.4
88	R	27.8	Very low	31.7	Very low	236 Å²	236	152.6 Å²	152.6	89%	0.891	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.1	148.8	178.7	-85.9	177.4	160.9	-176.5	-4.7	112.7
89	T	32	Very low	31.8	Very low	126 Å²	126	151.4 Å²	151.4	77%	0.773	80%	0.801	S	S	*	*			trans	174.6	145.4	133.1	35.8	0	0	0	0	107.4
90	N	30.7	Very low	31.7	Very low	154 Å²	154	152.6 Å²	152.6	82%	0.824	80%	0.799	S	S	*	*			cis	-151.2	159.4	-9.5	-98.7	-21.2	0	0	0	109
91	L	30.4	Very low	31.5	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	80%	0.798	S	S	*	*			trans	-151.3	125.7	168.1	-149.5	156.4	0	0	0	109
92	P	45	Very low	31.7	Very low	99 Å²	99	149.5 Å²	149.5	64%	0.643	79%	0.793	S	S	*	*			trans	-99.9	141.7	-169.6	35.9	-33.6	0	0	0	115
93	H	35.3	Very low	31.7	Very low	171 Å²	171	152.3 Å²	152.3	79%	0.792	79%	0.789	S	S	*	*			trans	64.2	150.6	163	-58.3	-52.7	0	0	0	116.7
94	I	33.9	Very low	31.7	Very low	134 Å²	134	153.4 Å²	153.4	69%	0.687	79%	0.786	S	S	*	*			cis	-164	152.9	-11.5	-115.5	168.9	0	0	0	105.7
95	Q	32.5	Very low	31.9	Very low	175 Å²	175	158.6 Å²	158.6	82%	0.818	80%	0.797	S	S	*	*			cis	-147	-147.4	6.8	-147.1	167.3	-24.4	0	0	109.8
96	Q	28.2	Very low	32.3	Very low	190 Å²	190	153.2 Å²	153.2	89%	0.888	79%	0.79	S	S	*	*			trans	-142.6	140.5	170.4	-65.4	176.1	-68.4	0	0	112.2
97	A	33.1	Very low	32.3	Very low	96 Å²	96	154.2 Å²	154.2	79%	0.793	79%	0.79	S	S	*	*			trans	178.2	114.6	147.5	0	0	0	0	0	107.1
98	Q	31.6	Very low	31.9	Very low	178 Å²	178	158.5 Å²	158.5	83%	0.832	80%	0.796	S	S	*	*				82.3	131.1	66.6	-94.7	-161.2	-33.8	0	0	116.8
99	H	31.2	Very low	31.9	Very low	145 Å²	145	151.6 Å²	151.6	67%	0.671	78%	0.78	S	S	*	*			trans	65.9	110.9	165.1	-83.2	-87.2	0	0	0	122.7
100	D	29	Very low	32	Very low	134 Å²	134	153.4 Å²	153.4	72%	0.717	78%	0.783	S	S	*	*				70.7	140.8	124.7	-68.6	-9.3	0	0	0	126.4
101	S	30.4	Very low	31.8	Very low	106 Å²	106	152 Å²	152	74%	0.741	78%	0.776	S	S	*	*			trans	86.9	87.1	142.3	68.9	0	0	0	0	121.4
102	Q	31.2	Very low	31.8	Very low	173 Å²	173	154.3 Å²	154.3	81%	0.808	78%	0.78	S	S	*	*				72.6	151.1	127	-66.5	-146	30.1	0	0	123.5
103	L	30	Very low	31	Very low	138 Å²	138	157.1 Å²	157.1	72%	0.723	79%	0.788	S	S	*	*			trans	84.1	127.5	150.7	-77.9	156.2	0	0	0	122.1
104	K	30.3	Very low	30.6	Very low	189 Å²	189	156.9 Å²	156.9	82%	0.822	79%	0.793	S	S	*	*			trans	72.3	91.6	152.3	-68.3	178.3	179	176.2	0	120.4
105	K	30.4	Very low	30.4	Very low	212 Å²	212	156.2 Å²	156.2	92%	0.922	80%	0.8	S	S	*	*				33.6	147.2	126.7	-79.5	-170.5	173.8	-176.4	0	122
106	P	37.5	Very low	30.2	Very low	115 Å²	115	154.1 Å²	154.1	75%	0.747	80%	0.8	S	S	*	*			trans	-105.5	165.5	-167.7	41.8	-35.7	0	0	0	115.1
107	Q	28.8	Very low	30.1	Very low	177 Å²	177	154 Å²	154	83%	0.827	80%	0.799	S	S	*	*			trans	-169	144.4	136.4	-111.7	171.1	1.6	0	0	111.3
108	K	30.5	Very low	30	Very low	216 Å²	216	154.3 Å²	154.3	94%	0.939	80%	0.801	S	S	*	*			trans	-145.6	104.3	153.4	-127.2	-177.1	-174.8	-177.2	0	109.5
109	T	28.7	Very low	29.7	Very low	91 Å²	91	156.7 Å²	156.7	56%	0.558	80%	0.803	S	S	*	*			trans	-94.7	142.8	178.9	-52.3	0	0	0	0	109.2	N111	T109-N111 HydrophobicContact CG2-CB 4.32Å
110	I	33.6	Very low	29.8	Very low	164 Å²	164	157.3 Å²	157.3	84%	0.841	81%	0.811	S	S	*	*			trans	-126.1	103.5	153.1	-60.2	-178.3	0	0	0	107.2
111	N	26.6	Very low	29.9	Very low	125 Å²	125	156.2 Å²	156.2	67%	0.668	81%	0.809	S	S	*	*			trans	-118.9	144.9	161.5	-80.4	-10.1	0	0	0	106.2	T109	T109-N111 HydrophobicContact CG2-CB 4.32Å
112	F	29.3	Very low	30	Very low	213 Å²	213	157.5 Å²	157.5	93%	0.934	81%	0.808	S	S	*	*			trans	-134.3	145.2	147.1	-95.8	-77.1	0	0	0	109.1
113	L	28.7	Very low	30	Very low	157 Å²	157	156.4 Å²	156.4	82%	0.822	81%	0.808	S	S	*	*			trans	-113.6	161.9	-174	-91.5	157.3	0	0	0	110
114	N	26.7	Very low	30.2	Very low	166 Å²	166	154.4 Å²	154.4	89%	0.888	81%	0.805	S	S	*	*			trans	-70.5	136.4	171.5	-62.7	-27.3	0	0	0	111.1
115	S	30	Very low	30.3	Very low	120 Å²	120	153 Å²	153	84%	0.839	80%	0.801	S	S	*	*			trans	-152.2	163.2	148.1	61.6	0	0	0	0	110.6
116	T	27.8	Very low	30.1	Very low	132 Å²	132	147.9 Å²	147.9	81%	0.81	80%	0.799	S	S	*	*			trans	-100.8	-179.5	-159.5	-26.5	0	0	0	0	113.3
117	E	26.6	Very low	29.8	Very low	186 Å²	186	150 Å²	150	87%	0.869	80%	0.802	S	S	*	*			trans	78.6	104.7	159.1	-68.3	177.2	-173.5	0	0	119.3
118	A	30.6	Very low	30	Very low	103 Å²	103	145.4 Å²	145.4	85%	0.851	80%	0.795	S	S	*	*				-148.9	130.7	129.7	0	0	0	0	0	109.4
119	R	26.7	Very low	30	Very low	229 Å²	229	142.7 Å²	142.7	86%	0.864	79%	0.79	S	S	*	*			trans	-104.5	138.3	152.4	-79.3	-179.3	169.9	137.6	-4.7	106.4
120	D	32.3	Very low	29.9	Very low	158 Å²	158	146.2 Å²	146.2	85%	0.845	80%	0.804	S	S	*	*				-172.4	169.9	111.7	-95.9	-12.5	0	0	0	112.9
121	T	31.1	Very low	29.9	Very low	110 Å²	110	149.4 Å²	149.4	68%	0.675	81%	0.806	S	S	*	*			trans	-73.4	149.6	-164.1	50.5	0	0	0	0	114.5
122	N	32.1	Very low	30	Very low	134 Å²	134	148.9 Å²	148.9	72%	0.717	80%	0.803	S	S	*	*				-179.8	144.6	103.7	-87.6	-39	0	0	0	113.7
123	N	31.8	Very low	30.1	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	80%	0.796	S	S	*	*			trans	63.5	139.4	159.1	-60.7	-18.3	0	0	0	118.6
124	S	33.9	Very low	30.2	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	79%	0.789	S	S	*	*			cis	-160	149.2	-6.3	46.6	0	0	0	0	112
125	Q	32.2	Very low	30.5	Very low	158 Å²	158	149.2 Å²	149.2	74%	0.738	78%	0.78	S	S	*	*			trans	42.8	101.7	159.3	-91	67.1	-3.2	0	0	118.9	I127	Q125-I127 HydrophobicContact CG-CG1 4.38Å
126	A	25.8	Very low	30.4	Very low	106 Å²	106	151.1 Å²	151.1	88%	0.876	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-96.6	132.2	132.5	0	0	0	0	0	108.4
127	I	32.5	Very low	30.6	Very low	158 Å²	158	154.2 Å²	154.2	81%	0.81	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-102.7	148	167	-71.8	-179.9	0	0	0	108.3	Q125	Q125-I127 HydrophobicContact CG-CG1 4.38Å
128	A	32.5	Very low	30.8	Very low	81 Å²	81	152.2 Å²	152.2	67%	0.669	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-85.6	158.7	-155.1	0	0	0	0	0	116.6
129	D	31	Very low	30.7	Very low	159 Å²	159	154.3 Å²	154.3	85%	0.85	76%	0.761	S	S	*	*			trans	59.7	107.4	143.4	-66.6	-6.5	0	0	0	121.8
130	I	26.8	Very low	30.9	Very low	166 Å²	166	154.5 Å²	154.5	85%	0.851	76%	0.763	S	S	*	*			trans	-61.3	126.6	157.9	-62	161.3	0	0	0	110.6
131	R	32	Very low	30.7	Very low	230 Å²	230	150.2 Å²	150.2	87%	0.868	76%	0.756	S	S	*	*			trans	-157.1	114	147.2	-112.1	167.8	-159.5	-177.2	8.9	115.9
132	N	30.6	Very low	30.7	Very low	115 Å²	115	152.3 Å²	152.3	62%	0.615	76%	0.762	S	S	*	*			trans	74.7	109.3	139	-81.4	-37.5	0	0	0	123.1
133	R	31.1	Very low	30.8	Very low	207 Å²	207	154.5 Å²	154.5	78%	0.781	77%	0.768	S	S	*	*				95	107.3	125.2	-65.7	-179.3	-152.5	-171.4	10.1	122.2
134	K	30.2	Very low	30.8	Very low	155 Å²	155	151.9 Å²	151.9	67%	0.674	76%	0.761	S	S	*	*				96	149	117	-81.8	-167.6	163.5	-160.8	0	121.6
135	Y	32.5	Very low	30.7	Very low	180 Å²	180	152.2 Å²	152.2	71%	0.706	76%	0.763	S	S	*	*			trans	70.2	117.3	173.2	-54.1	-66.7	0	0	0	115.5
136	Q	27.9	Very low	30.8	Very low	161 Å²	161	153 Å²	153	75%	0.752	76%	0.764	S	S	*	*			cis	92.7	104	30.2	-71	-169.5	-66.4	0	0	116.8
137	K	33.1	Very low	31.1	Very low	197 Å²	197	154.7 Å²	154.7	86%	0.857	76%	0.759	S	S	*	*			trans	-167.1	127.4	139.5	-99	172.3	178.8	-177.7	0	105.3
138	H	30.3	Very low	31.1	Very low	144 Å²	144	155.1 Å²	155.1	67%	0.667	76%	0.763	S	S	*	*				61.1	131.2	62.2	-69.4	-57.9	0	0	0	113.8
139	E	27.1	Very low	31	Very low	147 Å²	147	162.5 Å²	162.5	69%	0.687	77%	0.773	S	S	*	*			cis	-166.7	-169.1	-18.8	-152.7	151.8	-162.5	0	0	109.6
140	Y	32.7	Very low	31.1	Very low	232 Å²	232	160 Å²	160	91%	0.91	77%	0.768	S	S	*	*			trans	70.2	132.4	-178.3	-47.5	-83.4	0	0	0	115.4
141	G	26.8	Very low	31.1	Very low	68 Å²	68	157 Å²	157	70%	0.701	76%	0.761	S	S	*	*			cis	126.3	127.4	-14.8	0	0	0	0	0	114.8
142	I	32	Very low	30.9	Very low	154 Å²	154	156.6 Å²	156.6	79%	0.79	76%	0.762	S	S	*	*			trans	174.9	129.2	154.3	-97.7	156.7	0	0	0	111.7
143	Q	32.9	Very low	30.6	Very low	181 Å²	181	157.8 Å²	157.8	85%	0.846	77%	0.773	S	S	*	*			trans	52.1	154.2	151.2	-69.2	167.6	-6.1	0	0	121.5
144	S	32.2	Very low	30.5	Very low	94 Å²	94	156.1 Å²	156.1	66%	0.657	78%	0.779	S	S	*	*			cis	-166.3	128.6	-9.2	158.3	0	0	0	0	113
145	S	32.7	Very low	30.5	Very low	103 Å²	103	154.1 Å²	154.1	72%	0.72	78%	0.784	S	S	*	*			trans	63.3	160.8	156.1	82.8	0	0	0	0	118.2
146	K	34.5	Very low	30.2	Very low	176 Å²	176	151.6 Å²	151.6	77%	0.765	79%	0.792	S	S	*	*			cis	-153.6	142.2	17.7	-152.5	159.5	-172	178.7	0	113.4
147	D	32	Very low	30.5	Very low	141 Å²	141	151.6 Å²	151.6	75%	0.754	80%	0.797	S	S	*	*			trans	18.3	136.7	154.9	-48.7	-32.4	0	0	0	122
148	N	31.8	Very low	30.4	Very low	167 Å²	167	150.2 Å²	150.2	89%	0.893	80%	0.799	S	S	*	*			trans	-143.6	118.8	142.9	-149.1	-16.2	0	0	0	111
149	R	31.7	Very low	30.5	Very low	235 Å²	235	147.1 Å²	147.1	89%	0.887	81%	0.806	S	S	*	*			trans	-123.5	116.4	174	-97.7	-176	173	168.8	-1.9	107.8
150	S	32.3	Very low	30.6	Very low	106 Å²	106	145.7 Å²	145.7	74%	0.741	81%	0.812	S	S	*	*			trans	-77.1	132.5	170.6	42.5	0	0	0	0	110.6
151	S	26.5	Very low	30.6	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	81%	0.809	S	S	*	*			trans	-139.8	123.3	172.7	-66.1	0	0	0	0	107.3
152	Y	27.7	Very low	30.8	Very low	223 Å²	223	145.2 Å²	145.2	88%	0.875	82%	0.816	S	S	*	*			trans	-97.8	109.6	-179.6	-75.8	-76.1	0	0	0	110.3
153	T	25.4	Very low	30.7	Very low	139 Å²	139	141.3 Å²	141.3	85%	0.853	81%	0.814	S	S	*	*			trans	-105.2	128.3	164.3	12.8	0	0	0	0	108.7
154	L	28.8	Very low	30.6	Very low	172 Å²	172	144.1 Å²	144.1	90%	0.901	82%	0.817	S	S	*	*			trans	-115.8	118.8	169.4	-83.7	167.1	0	0	0	108.6
155	S	28.9	Very low	30.4	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	82%	0.817	S	S	*	*			trans	-85.7	132.1	174.9	44.9	0	0	0	0	110.6
156	C	26.9	Very low	30.4	Very low	127 Å²	127	146.1 Å²	146.1	86%	0.858	82%	0.824	S	S	*	*			trans	-70.3	145.1	168.5	-56.4	0	0	0	0	110.2
157	N	33.8	Very low	30.1	Very low	162 Å²	162	144.1 Å²	144.1	87%	0.866	82%	0.821	S	S	*	*			trans	-142.6	145.3	166.4	-129.6	-14.8	0	0	0	109.4
158	N	30.9	Very low	30	Very low	168 Å²	168	146.4 Å²	146.4	90%	0.898	83%	0.827	S	S	*	*			trans	-81	140.7	-167.2	-68.6	-37	0	0	0	113.1
159	G	32.6	Very low	29.9	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	82%	0.822	S	S	*	*			trans	-170	110.6	170.7	0	0	0	0	0	111.1
160	S	28.9	Very low	29.8	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	81%	0.814	S	S	*	*			trans	-100.3	133.5	-174.4	-178.1	0	0	0	0	112.4
161	C	32.7	Very low	29.7	Very low	127 Å²	127	139.8 Å²	139.8	86%	0.858	81%	0.814	S	S	*	*			trans	-149.9	158.3	158.7	57.7	0	0	0	0	110.5
162	I	31.5	Very low	29.8	Very low	163 Å²	163	140.6 Å²	140.6	84%	0.836	82%	0.815	S	S	*	*			trans	-121.9	130.2	-151.4	-65.2	167.7	0	0	0	112.9
163	G	29.6	Very low	29.9	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	81%	0.812	S	S	*	*			trans	78.7	146.7	163	0	0	0	0	0	115.5
164	R	30.6	Very low	29.9	Very low	239 Å²	239	135.8 Å²	135.8	90%	0.902	81%	0.807	S	S	*	*			cis	-157.7	132.2	23.9	-152.3	179.9	-175.1	166.3	0.6	111.9
165	S	28.6	Very low	30.1	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	80%	0.801	S	S	*	*			trans	21.1	117.3	155.3	62.1	0	0	0	0	122
166	V	32	Very low	30.2	Very low	145 Å²	145	135.9 Å²	135.9	88%	0.879	80%	0.799	S	S	*	*				-134.5	144.9	119.6	179.4	0	0	0	0	106.9
167	L	28.5	Very low	30.2	Very low	134 Å²	134	136.9 Å²	136.9	70%	0.702	80%	0.795	S	S	*	*			trans	-93.9	132	176.7	-72.8	84	0	0	0	111.3
168	E	30.4	Very low	30	Very low	189 Å²	189	136 Å²	136	88%	0.883	79%	0.79	S	S	*	*			trans	-133	129.1	144.2	-74.6	-159.6	137.7	0	0	108.9	S170	E168-S170 PolarHBondContact O-N 2.8Å
169	N	29.4	Very low	29.9	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	78%	0.784	S	S	*	*			trans	-90.3	92	-173.7	-75	-21.1	0	0	0	111.6	V171	N169-V171 PolarHBondContact O-N 3.4Å
170	S	30.4	Very low	29.7	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	78%	0.781	S	S	*	*			trans	-90.5	89.9	165.8	44.5	0	0	0	0	111	E168 T172	E168-S170 PolarHBondContact O-N 2.8Å; S170-T172 PolarHBondContact O-N 3.13Å
171	V	30.3	Very low	29.6	Very low	121 Å²	121	140.8 Å²	140.8	73%	0.733	78%	0.78	S	S	*	*			trans	-73.7	89.6	175.4	-177.7	0	0	0	0	110.6	N169	N169-V171 PolarHBondContact O-N 3.4Å
172	T	28.2	Very low	29.6	Very low	120 Å²	120	144.8 Å²	144.8	74%	0.736	78%	0.779	S	S	*	*			trans	-98	86.7	166.3	53.3	0	0	0	0	110	S170 S174	S170-T172 PolarHBondContact O-N 3.13Å; T172-S174 PolarHBondContact O-N 2.9Å
173	N	30	Very low	29.4	Very low	154 Å²	154	139.9 Å²	139.9	82%	0.824	77%	0.768	S	S	*	*			trans	-76.4	104.9	168.3	-85.5	9.1	0	0	0	109.5
174	S	25.5	Very low	29.3	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	78%	0.777	S	S	*	*			trans	-100.5	99.7	166.4	55.7	0	0	0	0	109.9	T172	T172-S174 PolarHBondContact O-N 2.9Å
175	N	32.2	Very low	29.3	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	77%	0.77	S	S	*	*			trans	-162	139.4	163.1	-91	-4.8	0	0	0	105
176	D	31.3	Very low	29.1	Very low	142 Å²	142	144.8 Å²	144.8	76%	0.759	78%	0.779	S	S	*	*			cis	-131.9	166.3	6.8	-84	-59.9	0	0	0	112.6
177	I	26.8	Very low	29	Very low	149 Å²	149	145.8 Å²	145.8	76%	0.764	77%	0.771	S	S	*	*			trans	-78.1	125	175.7	-63.9	167.3	0	0	0	109.9
178	N	30.2	Very low	28.9	Very low	144 Å²	144	149 Å²	149	77%	0.77	78%	0.78	S	S	*	*			trans	-146	91.1	156.9	-105.7	-43.5	0	0	0	111.5	F180	N178-F180 PolarHBondContact O-N 3.23Å
179	N	27.6	Very low	28.8	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	77%	0.774	S	S	*	*			trans	-77	95.4	172.9	-86.8	-33.4	0	0	0	110.6
180	F	29.9	Very low	28.5	Very low	168 Å²	168	149.5 Å²	149.5	74%	0.737	78%	0.779	S	S	*	*			trans	-95.1	93.6	163.8	-99.1	-77.3	0	0	0	111.6	N178 Y182	N178-F180 PolarHBondContact O-N 3.23Å; F180-Y182 HydrophobicContact CD1-CD2 4.3Å; F180-Y182 HydrophobicContact CD1-CE2 4.12Å; F180-Y182 HydrophobicContact CE1-CE2 4.49Å; F180-Y182 PolarHBondContact O-N 3.4Å; F180-Y182 VanDerWaalsContact O-N 3.12Å
181	N	25.5	Very low	28.6	Very low	151 Å²	151	149 Å²	149	81%	0.807	78%	0.781	S	S	*	*			trans	-72.8	96.3	169	-88.6	-49	0	0	0	110.8
182	Y	33	Very low	28.3	Very low	210 Å²	210	150.2 Å²	150.2	82%	0.824	78%	0.783	S	S	*	*			trans	-126.5	132.1	149.8	-77.5	-85.2	0	0	0	107.8	F180	F180-Y182 HydrophobicContact CD1-CD2 4.3Å; F180-Y182 HydrophobicContact CD1-CE2 4.12Å; F180-Y182 HydrophobicContact CE1-CE2 4.49Å; F180-Y182 PolarHBondContact O-N 3.4Å; F180-Y182 VanDerWaalsContact O-N 3.12Å
183	G	28.4	Very low	28.4	Very low	60 Å²	60	155.7 Å²	155.7	62%	0.619	79%	0.792	S	S	*	*			cis	144.7	73.5	6.8	0	0	0	0	0	109	K185	G183-K185 PolarHBondContact O-N 3.26Å
184	L	27	Very low	28.5	Very low	179 Å²	179	156.9 Å²	156.9	94%	0.937	79%	0.793	S	S	*	*			trans	-59.1	88.7	-175.2	-91.1	156.9	0	0	0	112.2
185	K	29.4	Very low	28.6	Very low	174 Å²	174	158.1 Å²	158.1	76%	0.757	80%	0.796	S	S	*	*			trans	-91.5	104.3	171.3	-81	-171.6	173.8	179.9	0	110.7	G183 F187	G183-K185 PolarHBondContact O-N 3.26Å; K185-F187 HydrophobicContact CB-CE2 4.38Å; K185-F187 PolarHBondContact O-N 3.07Å
186	N	26	Very low	28.6	Very low	156 Å²	156	162.4 Å²	162.4	83%	0.834	80%	0.801	S	S	*	*			trans	-60.3	117.4	162.5	-71.8	-60.9	0	0	0	109.8
187	F	28.8	Very low	28.6	Very low	166 Å²	166	160.8 Å²	160.8	73%	0.728	80%	0.797	S	S	*	*			trans	-99.6	87.1	164.7	-90.2	-76.5	0	0	0	110.9	K185	K185-F187 HydrophobicContact CB-CE2 4.38Å; K185-F187 PolarHBondContact O-N 3.07Å
188	K	25.8	Very low	29	Very low	202 Å²	202	159.7 Å²	159.7	88%	0.878	80%	0.797	S	S	*	*			trans	-81	106.9	150.3	-82	-176.6	175	177.3	0	107.5
189	N	28.9	Very low	29.1	Very low	140 Å²	140	158.4 Å²	158.4	75%	0.749	80%	0.799	S	S	*	*			trans	-110.2	98.3	163.8	-83.6	0.5	0	0	0	109.9
190	K	23.5	Very low	29.3	Very low	206 Å²	206	155.3 Å²	155.3	90%	0.896	80%	0.802	S	S	*	*			trans	-92.9	127.9	145	-87.8	-166.7	171.2	-163.9	0	106.9
191	A	31.3	Very low	29.4	Very low	92 Å²	92	157.4 Å²	157.4	76%	0.76	81%	0.811	S	S	*	*			trans	-157.9	123.1	154.8	0	0	0	0	0	107.8
192	D	25.5	Very low	29.8	Very low	146 Å²	146	159.1 Å²	159.1	78%	0.781	81%	0.814	S	S	*	*			trans	-74.8	154.9	176	-51	-92.5	0	0	0	110.8
193	Y	30.4	Very low	29.6	Very low	235 Å²	235	158.2 Å²	158.2	92%	0.922	82%	0.817	S	S	*	*			trans	-136.3	140.4	155.3	-102.8	-77.5	0	0	0	111
194	Q	31.8	Very low	29.8	Very low	179 Å²	179	164.9 Å²	164.9	84%	0.836	83%	0.829	S	S	*	*			trans	-88.4	149.4	-166.1	-69.7	172.4	-40.9	0	0	113.5
195	T	27	Very low	29.9	Very low	133 Å²	133	161.3 Å²	161.3	82%	0.816	82%	0.819	S	S	*	*			trans	-15	128.7	159.3	53.9	0	0	0	0	118.1
196	R	31.5	Very low	29.9	Very low	234 Å²	234	158.5 Å²	158.5	88%	0.883	82%	0.816	S	S	*	*				-157.4	137.5	118.8	-111.9	-173.1	-179.2	-160.6	-0.7	114.5
197	T	32.2	Very low	30.1	Very low	108 Å²	108	158.5 Å²	158.5	66%	0.663	81%	0.811	S	S	*	*			trans	-16.1	149	143.1	54.8	0	0	0	0	116.6
198	T	34.9	Very low	30	Very low	127 Å²	127	161.5 Å²	161.5	78%	0.779	82%	0.818	S	S	*	*			cis	-177.7	162.9	-0.2	23.5	0	0	0	0	106.5
199	S	32.4	Very low	30.2	Very low	116 Å²	116	156.2 Å²	156.2	81%	0.811	81%	0.806	S	S	*	*			cis	-174.9	154.5	-14	50.2	0	0	0	0	108.6
200	G	32.5	Very low	30.2	Very low	80 Å²	80	158.6 Å²	158.6	83%	0.825	81%	0.813	S	S	*	*			trans	-156	138.3	174.2	0	0	0	0	0	112.6
201	K	32.3	Very low	30.5	Very low	212 Å²	212	156.5 Å²	156.5	92%	0.922	81%	0.811	S	S	*	*			trans	-84.6	126.4	-175.3	-61	170.8	-178.4	174	0	111.4
202	E	32.5	Very low	30.7	Very low	186 Å²	186	159.8 Å²	159.8	87%	0.869	82%	0.815	S	S	*	*				-172	129.2	116.3	-104.6	-171.6	178.9	0	0	110.2
203	Q	29.4	Very low	30.9	Very low	191 Å²	191	161 Å²	161	89%	0.893	82%	0.822	S	S	*	*			trans	-115.7	122.8	172.4	-80.4	-174.7	-27	0	0	109.8
204	K	31.5	Very low	31.2	Very low	201 Å²	201	156.3 Å²	156.3	87%	0.874	82%	0.818	S	S	*	*			trans	-114.2	101.2	152.2	-78.1	-177.1	177.7	173.4	0	107.6
205	S	29.6	Very low	31.1	Very low	103 Å²	103	153 Å²	153	72%	0.72	81%	0.814	S	S	*	*			trans	-73.1	130.9	174.6	-173.1	0	0	0	0	109.8
206	V	30.7	Very low	31.5	Very low	116 Å²	116	153.6 Å²	153.6	70%	0.703	81%	0.812	S	S	*	*			trans	-119.3	101.8	161.8	178.1	0	0	0	0	105.9	W208	V206-W208 PolarHBondContact O-N 2.94Å
207	H	29	Very low	31.7	Very low	156 Å²	156	147.4 Å²	147.4	72%	0.722	81%	0.805	S	S	*	*			trans	-73.3	121.3	179.6	-150.7	-68.2	0	0	0	108.8
208	W	27	Very low	31.5	Very low	229 Å²	229	150.5 Å²	150.5	87%	0.867	82%	0.817	S	S	*	*			trans	-86.6	133.7	160.6	-69.6	81.3	0	0	0	107.4	V206	V206-W208 PolarHBondContact O-N 2.94Å
209	S	30.8	Very low	31.3	Very low	91 Å²	91	156.3 Å²	156.3	64%	0.636	83%	0.825	S	S	*	*			trans	-112.6	136	172.6	-65.2	0	0	0	0	108.9
210	E	28.7	Very low	31.2	Very low	190 Å²	190	159.7 Å²	159.7	89%	0.888	83%	0.825	S	S	*	*			trans	-85.4	110.7	171.7	-64.8	175.4	110	0	0	108.9	L212	E210-L212 PolarHBondContact O-N 3.27Å
211	D	30.3	Very low	31.2	Very low	162 Å²	162	165.3 Å²	165.3	87%	0.866	83%	0.83	S	S	*	*			trans	-83.7	111.9	169.7	-76.9	-35.9	0	0	0	109.8
212	L	34.5	Very low	31.1	Very low	160 Å²	160	162.4 Å²	162.4	84%	0.838	82%	0.824	S	S	*	*			trans	-95.1	116.4	171.4	-83.9	166.1	0	0	0	110.5	E210 T214	E210-L212 PolarHBondContact O-N 3.27Å; L212-T214 PolarHBondContact O-N 2.95Å; L212-T214 VanDerWaalsContact O-N 3.11Å
213	D	30.2	Very low	31.1	Very low	172 Å²	172	160.3 Å²	160.3	92%	0.92	82%	0.824	S	S	*	*			trans	-59.9	110.3	174	-89.5	-45.6	0	0	0	111.4
214	T	35.7	Very low	31.3	Very low	137 Å²	137	156.4 Å²	156.4	84%	0.84	82%	0.817	S	S	*	*			trans	-131.2	130.2	155.2	44.7	0	0	0	0	111.3	L212	L212-T214 PolarHBondContact O-N 2.95Å; L212-T214 VanDerWaalsContact O-N 3.11Å
215	S	31.3	Very low	31.2	Very low	108 Å²	108	154.6 Å²	154.6	76%	0.755	82%	0.817	S	S	*	*			trans	-76.8	141.2	-171.6	54.2	0	0	0	0	113.7
216	N	33.9	Very low	31.2	Very low	146 Å²	146	157.9 Å²	157.9	78%	0.781	83%	0.825	S	S	*	*				-156.8	130.7	128.3	-120.6	-45.8	0	0	0	117.4
217	S	35.9	Very low	31.3	Very low	104 Å²	104	156.2 Å²	156.2	73%	0.727	82%	0.824	S	S	*	*			trans	39.7	111	141	-62.1	0	0	0	0	122	R219	S217-R219 PolarHBondContact O-N 3.23Å
218	N	28.1	Very low	31.4	Very low	173 Å²	173	154.7 Å²	154.7	93%	0.925	83%	0.825	S	S	*	*			trans	-63.7	124.1	156.6	-70.1	-74	0	0	0	112
219	R	31	Very low	31.7	Very low	249 Å²	249	150.8 Å²	150.8	94%	0.94	82%	0.821	S	S	*	*			trans	-146.6	136.3	144.9	-169.8	164.2	-75	-151.8	-0.3	111.2	S217	S217-R219 PolarHBondContact O-N 3.23Å
220	K	30.8	Very low	31.8	Very low	188 Å²	188	152.2 Å²	152.2	82%	0.817	82%	0.821	S	S	*	*			trans	-63.3	140.9	-176.6	-54.5	171.9	-178.7	178.8	0	111.6
221	Q	30.9	Very low	32	Very low	197 Å²	197	148.8 Å²	148.8	92%	0.921	81%	0.809	S	S	*	*			trans	-117.3	133	145.4	-87	-178.5	-32.2	0	0	108.3
222	L	32.2	Very low	32.2	Very low	151 Å²	151	147 Å²	147	79%	0.791	80%	0.8	S	S	*	*			trans	-85.6	140.8	158.2	-94.7	69.5	0	0	0	107.3
223	T	31.1	Very low	32.3	Very low	142 Å²	142	146 Å²	146	87%	0.871	80%	0.795	S	S	*	*			trans	-70.9	132.2	154.5	46.8	0	0	0	0	108.6
224	S	33.7	Very low	32.6	Very low	109 Å²	109	145.8 Å²	145.8	76%	0.762	79%	0.786	S	S	*	*			trans	-119.9	138.6	177.2	57.3	0	0	0	0	110.6
225	D	29.9	Very low	32.5	Very low	163 Å²	163	145.6 Å²	145.6	87%	0.872	78%	0.778	S	S	*	*			trans	-70.6	170.4	-177	-63.1	-71.7	0	0	0	114.7
226	I	30	Very low	32.6	Very low	173 Å²	173	147.8 Å²	147.8	89%	0.887	78%	0.78	S	S	*	*			trans	-85.5	129.3	-175.6	-60.7	162.4	0	0	0	110.6
227	A	32.1	Very low	32.8	Very low	81 Å²	81	146 Å²	146	67%	0.669	78%	0.776	S	S	*	*			trans	-179.2	120.6	135.8	0	0	0	0	0	115
228	T	32.1	Very low	32.8	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	78%	0.779	S	S	*	*			trans	43.9	118.6	139.3	58.8	0	0	0	0	123.3
229	L	32.1	Very low	32.8	Very low	147 Å²	147	145.2 Å²	145.2	77%	0.77	77%	0.769	S	S	*	*				119.2	126.7	115.9	-121.5	77.4	0	0	0	120.6
230	N	33	Very low	33	Very low	120 Å²	120	143 Å²	143	64%	0.642	77%	0.766	S	S	*	*			trans	75.1	118.1	146.2	-80.6	5.9	0	0	0	123.8
231	N	34.1	Very low	33	Very low	118 Å²	118	141.1 Å²	141.1	63%	0.631	77%	0.765	S	S	*	*				85.3	90.9	124.8	-66.8	3.8	0	0	0	121
232	N	34.3	Very low	33.2	Very low	126 Å²	126	136.6 Å²	136.6	67%	0.674	76%	0.755	S	S	*	*				138.5	126.4	94.4	-82	-14.9	0	0	0	115.3
233	N	36.9	Very low	33.3	Very low	137 Å²	137	136.5 Å²	136.5	73%	0.733	75%	0.754	S	S	*	*			trans	64.1	143.1	149.7	-62.8	-31.9	0	0	0	119.9
234	K	35.3	Very low	33.3	Very low	169 Å²	169	136.7 Å²	136.7	74%	0.735	75%	0.75	S	S	*	*			cis	-167.8	141.6	-23.9	-126.1	-178	176.4	-176.5	0	109.2
235	I	33.7	Very low	33.1	Very low	132 Å²	132	136.8 Å²	136.8	68%	0.677	75%	0.746	S	S	*	*			trans	53.9	97.2	143.2	-68.3	170.1	0	0	0	117.4
236	I	33.1	Very low	33.3	Very low	155 Å²	155	135.3 Å²	135.3	80%	0.795	74%	0.743	S	S	*	*				96.5	132.3	94.9	-78.5	169.5	0	0	0	114.3
237	P	39	Very low	33.6	Very low	108 Å²	108	134 Å²	134	70%	0.701	74%	0.736	S	S	*	*			trans	-110.8	168.1	176.3	41.4	-34.1	0	0	0	114.5
238	T	34.5	Very low	34	Very low	129 Å²	129	136 Å²	136	79%	0.791	74%	0.742	S	S	*	*			trans	-173.1	143	132.7	24.8	0	0	0	0	114.7
239	N	29.6	Very low	33.9	Very low	132 Å²	132	136 Å²	136	71%	0.706	74%	0.742	S	S	*	*			trans	5.5	142.8	152.4	-50	0.2	0	0	0	121.8
240	F	34.6	Very low	34.1	Very low	203 Å²	203	134.6 Å²	134.6	89%	0.89	74%	0.74	S	S	*	*				-170.2	150.8	98.7	-107.5	-74.9	0	0	0	112.7
241	D	30.9	Very low	34.2	Very low	148 Å²	148	134.3 Å²	134.3	79%	0.791	74%	0.743	S	S	*	*			trans	-97	150.5	178	-66.4	-70.2	0	0	0	113.2
242	S	34.4	Very low	34.3	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	75%	0.745	S	S	*	*			trans	144.5	115.4	132.1	-65.1	0	0	0	0	116.1
243	I	35.4	Very low	34.3	Very low	149 Å²	149	135 Å²	135	76%	0.764	75%	0.751	S	S	*	*				42.3	115.6	124.6	-55	160.5	0	0	0	116.6
244	N	30.2	Very low	34	Very low	145 Å²	145	135.4 Å²	135.4	78%	0.775	75%	0.753	S	S	*	*				-171.1	176.9	69.2	-140	-13.3	0	0	0	116.3
245	T	30.1	Very low	34.1	Very low	111 Å²	111	134.9 Å²	134.9	68%	0.681	76%	0.756	S	S	*	*			trans	-59.4	155.8	-176.8	48.8	0	0	0	0	119.9
246	T	32.9	Very low	34	Very low	132 Å²	132	135 Å²	135	81%	0.81	76%	0.759	S	S	*	*				-167.4	152.3	119.1	-70.8	0	0	0	0	111.1
247	I	36.9	Very low	34.2	Very low	145 Å²	145	133.4 Å²	133.4	74%	0.744	76%	0.761	S	S	*	*			trans	-135.9	149.9	178.5	-53.5	167.6	0	0	0	109
248	P	40	Very low	33.7	Very low	124 Å²	124	134.4 Å²	134.4	81%	0.805	77%	0.765	S	S	*	*			trans	-139.9	153.5	133.9	35.6	-21.6	0	0	0	115.6
249	T	31.4	Very low	33.8	Very low	124 Å²	124	134.5 Å²	134.5	76%	0.761	77%	0.765	S	S	*	*			trans	-110.2	173.9	169	52.6	0	0	0	0	109.3
250	T	36.8	Very low	34	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	76%	0.762	S	S	*	*			cis	-130.6	-136.5	19.8	44.6	0	0	0	0	110.9
251	T	34.4	Very low	33.9	Very low	115 Å²	115	129.5 Å²	129.5	71%	0.706	76%	0.755	S	S	*	*			cis	-162.1	147.1	11.2	-7.7	0	0	0	0	112.8
252	T	36.2	Very low	34.1	Very low	109 Å²	109	128 Å²	128	67%	0.669	75%	0.751	S	S	*	*			trans	8.7	142.1	148.1	63.3	0	0	0	0	121.7
253	N	34.1	Very low	34	Very low	150 Å²	150	129.3 Å²	129.3	80%	0.802	75%	0.75	S	S	*	*				-160.4	173.5	58.8	-100.3	-47	0	0	0	115.2
254	N	31.4	Very low	33.8	Very low	144 Å²	144	128.4 Å²	128.4	77%	0.77	75%	0.747	S	S	*	*			trans	-99.3	175.7	-173.4	-56.5	-28.4	0	0	0	114.7
255	I	36.2	Very low	33.9	Very low	158 Å²	158	128 Å²	128	81%	0.81	74%	0.744	S	S	*	*				-165.9	122.6	123.2	-96.9	154.4	0	0	0	113.1
256	D	32.9	Very low	33.8	Very low	136 Å²	136	129.8 Å²	129.8	73%	0.727	75%	0.749	S	S	*	*			trans	21.3	142	146.7	-43.4	-29.8	0	0	0	125.5
257	S	35.5	Very low	33.7	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	74%	0.743	S	S	*	*				-162.6	145.4	117.8	39.3	0	0	0	0	112.2
258	V	30.3	Very low	33.5	Very low	129 Å²	129	129 Å²	129	78%	0.782	75%	0.745	S	S	*	*			trans	-148.6	167.9	-171.9	177.7	0	0	0	0	110.4
259	T	35.6	Very low	33	Very low	132 Å²	132	126.6 Å²	126.6	81%	0.81	73%	0.731	S	S	*	*			trans	87.7	146.1	175	74.9	0	0	0	0	115.6
260	S	34.3	Very low	33.1	Very low	92 Å²	92	131 Å²	131	64%	0.643	74%	0.736	S	S	*	*			cis	-161.9	154.1	-18	50.1	0	0	0	0	108.1
261	N	32.6	Very low	32.7	Very low	138 Å²	138	128.9 Å²	128.9	74%	0.738	74%	0.737	S	S	*	*				172.5	135.8	78.5	-100.1	-33.5	0	0	0	108.3
262	V	35.6	Very low	32.7	Very low	115 Å²	115	130.8 Å²	130.8	70%	0.697	75%	0.748	S	S	*	*				86.1	105.6	84.6	174.1	0	0	0	0	117.4
263	N	30.7	Very low	32.5	Very low	130 Å²	130	128.6 Å²	128.6	70%	0.695	75%	0.748	S	S	*	*			trans	63	120.2	140.5	-62.9	-1.8	0	0	0	126.6
264	N	31.7	Very low	32.3	Very low	131 Å²	131	131.9 Å²	131.9	70%	0.701	75%	0.75	S	S	*	*				75.8	130.9	121	-60.5	-8.3	0	0	0	125.7
265	N	31.6	Very low	33	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	75%	0.75	S	S	*	*			trans	76.2	115.8	136.2	-68.2	-7.4	0	0	0	124.6
266	L	29.1	Very low	32.8	Very low	150 Å²	150	129.9 Å²	129.9	79%	0.785	74%	0.743	S	S	*	*				57	132.7	129.5	-91.1	73.8	0	0	0	124.2
267	V	31.1	Very low	32.8	Very low	111 Å²	111	131.3 Å²	131.3	67%	0.673	74%	0.743	S	S	*	*			trans	84.4	117.4	135.7	169.5	0	0	0	0	121.2
268	N	31.5	Very low	32.6	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	74%	0.739	S	S	*	*			trans	58	166.8	151.4	-67.6	-2.2	0	0	0	120.2
269	S	30.8	Very low	32.6	Very low	72 Å²	72	138.2 Å²	138.2	50%	0.503	74%	0.737	S	S	.	*			cis	-176	161.7	-36.2	179.6	0	0	0	0	108.8
270	Y	32.1	Very low	32.5	Very low	218 Å²	218	139 Å²	139	86%	0.855	73%	0.732	S	S	*	*			trans	69.7	148.5	171.5	-40.8	-77.5	0	0	0	117.2
271	G	29.6	Very low	32.5	Very low	72 Å²	72	141.8 Å²	141.8	74%	0.742	73%	0.734	S	S	*	*			cis	139.6	105.7	-21.5	0	0	0	0	0	117.2
272	T	34.3	Very low	32.5	Very low	155 Å²	155	142.2 Å²	142.2	95%	0.951	74%	0.736	S	S	*	*			trans	-167.2	150.9	164.5	38.2	0	0	0	0	110.3
273	G	30.7	Very low	32.4	Very low	63 Å²	63	141.6 Å²	141.6	65%	0.649	74%	0.737	S	S	*	*			cis	162.1	104.6	-19.2	0	0	0	0	0	117.1
274	Y	30.5	Very low	32.6	Very low	218 Å²	218	140.6 Å²	140.6	86%	0.855	74%	0.735	S	S	*	*			trans	63.8	175	153.2	-72.3	-80.3	0	0	0	120.2
275	P	45.3	Very low	32.7	Very low	120 Å²	120	144.2 Å²	144.2	78%	0.779	74%	0.739	S	S	*	*			cis	-131.7	173.1	-3.9	20.4	5.7	0	0	0	119.4
276	Q	34	Very low	32.7	Very low	140 Å²	140	144.1 Å²	144.1	65%	0.654	74%	0.738	S	S	*	*			trans	-34.6	161.1	165	-66.1	-90	-19.7	0	0	118.9
277	F	32	Very low	32.9	Very low	167 Å²	167	142.8 Å²	142.8	73%	0.732	74%	0.736	S	S	*	*				-174	153	58	-107.1	-57.7	0	0	0	117.2
278	R	30.2	Very low	32.9	Very low	201 Å²	201	142.5 Å²	142.5	76%	0.758	74%	0.739	S	S	*	*			trans	65.6	125.3	144.2	-85.5	178.9	-177	178.1	3.7	125.3
279	R	31.3	Very low	32.8	Very low	192 Å²	192	143.5 Å²	143.5	73%	0.725	74%	0.744	S	S	*	*				111.6	132.6	120.3	-97.8	-170.2	-176.7	-174.4	3.5	121.3
280	Q	33.6	Very low	32.8	Very low	150 Å²	150	147.8 Å²	147.8	70%	0.701	76%	0.762	S	S	*	*			trans	67.8	150.1	154.6	-67.5	169.7	-47.1	0	0	116.4
281	Q	34.2	Very low	32.7	Very low	150 Å²	150	144.4 Å²	144.4	70%	0.701	76%	0.758	S	S	*	*			cis	-154.2	164.7	-3.8	-128.4	172.2	-26.1	0	0	110.2
282	L	32	Very low	32.9	Very low	146 Å²	146	146 Å²	146	76%	0.764	75%	0.754	S	S	*	*			trans	23.5	143.3	150.6	-62.2	159.4	0	0	0	120.7
283	S	33.6	Very low	32.7	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	74%	0.74	S	S	*	*			cis	177.8	-173.2	-6.8	58.2	0	0	0	0	107
284	V	35.7	Very low	32.6	Very low	108 Å²	108	150 Å²	150	66%	0.655	75%	0.749	S	S	*	*			cis	-163	159.1	5.2	75.3	0	0	0	0	110.1
285	R	33.2	Very low	32.5	Very low	208 Å²	208	142.7 Å²	142.7	79%	0.785	73%	0.734	S	S	*	*			trans	64.2	143.2	164.4	-61.3	-170.7	-168.8	135.6	4.7	119.4
286	D	31.2	Very low	31.7	Very low	132 Å²	132	147.9 Å²	147.9	71%	0.706	74%	0.739	S	S	*	*			cis	-159.3	152	-13.9	-107.6	-20.8	0	0	0	114.2
287	V	34.8	Very low	31.7	Very low	122 Å²	122	146.2 Å²	146.2	74%	0.739	74%	0.744	S	S	*	*			trans	56.9	77.8	151.3	-171.2	0	0	0	0	119.4
288	S	30.9	Very low	31.5	Very low	106 Å²	106	144 Å²	144	74%	0.741	75%	0.748	S	S	*	*				31.4	124.6	125.2	63.7	0	0	0	0	122.1
289	N	29	Very low	31.4	Very low	170 Å²	170	138.9 Å²	138.9	91%	0.909	74%	0.742	S	S	*	*			trans	-155.6	117.2	135.6	-136.4	-7.6	0	0	0	108.4
290	D	30.4	Very low	31.5	Very low	163 Å²	163	139.4 Å²	139.4	87%	0.872	75%	0.75	S	S	*	*			trans	-138.4	145.1	-171	-122	-33.5	0	0	0	112.5
291	N	30.6	Very low	31.4	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	76%	0.755	S	S	*	*			trans	-156.7	144.9	-164	-141.7	-14.3	0	0	0	113.4
292	V	32.5	Very low	31.2	Very low	107 Å²	107	140.1 Å²	140.1	65%	0.648	76%	0.761	S	S	*	*			trans	76.5	110.2	157.6	-174	0	0	0	0	119.9
293	T	31.1	Very low	31.1	Very low	109 Å²	109	139.1 Å²	139.1	67%	0.669	75%	0.753	S	S	*	*			trans	74.7	152.4	151.6	61.4	0	0	0	0	120
294	K	29.2	Very low	31.1	Very low	191 Å²	191	143.1 Å²	143.1	83%	0.83	76%	0.76	S	S	*	*			cis	-161.2	168.3	2.9	-110.3	150.9	-167.2	163.3	0	106.8
295	A	27.4	Very low	30.8	Very low	65 Å²	65	147 Å²	147	54%	0.537	77%	0.769	S	S	.	*			cis	-166	170.5	-7.4	0	0	0	0	0	110
296	Y	29.7	Very low	30.6	Very low	229 Å²	229	144.8 Å²	144.8	90%	0.898	77%	0.771	S	S	*	*			trans	66.7	147.4	170	-57.1	-74.5	0	0	0	116.3
297	S	33	Very low	30.4	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	77%	0.773	S	S	*	*			cis	-151.6	146.1	-1.3	39.3	0	0	0	0	113.7
298	C	27.7	Very low	30.3	Very low	121 Å²	121	153.6 Å²	153.6	82%	0.818	78%	0.782	S	S	*	*			trans	36.1	108.8	152.3	-154.8	0	0	0	0	121.6
299	S	28.8	Very low	30.3	Very low	93 Å²	93	160.6 Å²	160.6	65%	0.65	79%	0.792	S	S	*	*				166.2	158.4	94.3	62.2	0	0	0	0	112.2
300	K	32.3	Very low	30.4	Very low	202 Å²	202	157.5 Å²	157.5	88%	0.878	78%	0.783	S	S	*	*			trans	58	111	173.6	-52.3	172.8	-172.9	176.2	0	113.7
301	N	33.1	Very low	30.4	Very low	150 Å²	150	157.6 Å²	157.6	80%	0.802	78%	0.783	S	S	*	*				-153.5	144.5	51.9	-153.6	-6.2	0	0	0	111.1
302	I	28.6	Very low	30.5	Very low	165 Å²	165	156.8 Å²	156.8	85%	0.846	79%	0.789	S	S	*	*			trans	-134.8	17.6	179.8	-153.1	164.6	0	0	0	112.8
303	E	29.9	Very low	30.6	Very low	126 Å²	126	156.3 Å²	156.3	59%	0.589	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	17.7	-175.7	-146.8	-164.7	-100.7	0	0	115.1	R307	E303-R307 IonicContact OE2-NH1 2.66Å; E303-R307 PolarHBondContact OE2-NH1 3.27Å
304	E	33.9	Very low	30.5	Very low	187 Å²	187	158 Å²	158	87%	0.874	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	1.3	175.9	-163	148.3	-159.2	0	0	113.7
305	F	30	Very low	30.6	Very low	190 Å²	190	155.1 Å²	155.1	83%	0.833	80%	0.796	S	S	*	*	S	Bend	trans	-91.7	0.8	179.5	-154.4	-104.6	0	0	0	114.7
306	L	27.9	Very low	30.6	Very low	160 Å²	160	156.2 Å²	156.2	84%	0.838	81%	0.805	S	S	*	*	S	Bend	trans	-134.7	25.8	-170.8	-75	178.2	0	0	0	115.8
307	R	28.5	Very low	30.7	Very low	193 Å²	193	152.7 Å²	152.7	73%	0.728	80%	0.802	S	S	*	*			trans	-136.1	29.7	-172	-125.9	171.1	-171.8	142.3	0.6	119.3	E303	E303-R307 IonicContact OE2-NH1 2.66Å; E303-R307 PolarHBondContact OE2-NH1 3.27Å
308	R	32.7	Very low	30.5	Very low	247 Å²	247	152 Å²	152	93%	0.932	80%	0.803	S	S	*	*			trans	-136.3	75	166.9	-68.1	-165.9	-172.3	-125.3	2.7	115.6
309	R	30.8	Very low	30.6	Very low	253 Å²	253	150.6 Å²	150.6	96%	0.955	79%	0.794	S	S	*	*			trans	-119.6	151.3	133.8	-70.4	-178	179	175.5	0.7	105.3
310	S	29.3	Very low	30.8	Very low	104 Å²	104	152.4 Å²	152.4	73%	0.727	80%	0.797	S	S	*	*			cis	-127.1	178.1	13.1	47.4	0	0	0	0	109.7
311	L	32	Very low	31.1	Very low	165 Å²	165	151.4 Å²	151.4	86%	0.864	80%	0.795	S	S	*	*			cis	-150.1	133.7	35.5	-70	154.5	0	0	0	112
312	S	32.6	Very low	31	Very low	130 Å²	130	150.4 Å²	150.4	91%	0.909	79%	0.787	S	S	*	*			trans	-168.5	157.9	147.4	-166.7	0	0	0	0	108.4
313	S	33.6	Very low	31.4	Very low	96 Å²	96	147.8 Å²	147.8	67%	0.671	77%	0.774	S	S	*	*			trans	-117.8	162.8	-158.6	53.7	0	0	0	0	115.9
314	N	29.4	Very low	31.6	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	78%	0.784	S	S	*	*			trans	70.3	122	173.3	-56.6	-24.8	0	0	0	116.3
315	P	32.4	Very low	31.6	Very low	132 Å²	132	146.4 Å²	146.4	86%	0.857	77%	0.766	S	S	*	*				-134.8	117.6	102.9	35.3	-25.3	0	0	0	113.4
316	A	27.2	Very low	32	Very low	88 Å²	88	143 Å²	143	73%	0.727	75%	0.753	S	S	*	*			trans	-106.8	75.6	171.1	0	0	0	0	0	110.7
317	N	30.3	Very low	32.6	Very low	154 Å²	154	139 Å²	139	82%	0.824	74%	0.738	S	S	*	*			trans	-173.4	76.4	162.6	-101.1	-34.3	0	0	0	112.2
318	A	29.6	Very low	33	Very low	93 Å²	93	134.9 Å²	134.9	77%	0.769	73%	0.73	S	S	*	*			trans	-139.9	-16	172.6	0	0	0	0	0	114.5	N320	A318-N320 PolarHBondContact O-N 3.16Å
319	S	29.8	Very low	33.1	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-12	-164.7	-37.6	0	0	0	0	115.9
320	N	33.4	Very low	33.4	Very low	132 Å²	132	122.4 Å²	122.4	71%	0.706	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	3.4	-163.1	-80.6	-30.6	0	0	0	116.4	A318	A318-N320 PolarHBondContact O-N 3.16Å
321	Q	38.1	Very low	33.7	Very low	180 Å²	180	125.3 Å²	125.3	84%	0.841	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-29.3	175.1	-69.4	-170.9	-4.2	0	0	114.1
322	M	30.9	Very low	34	Very low	130 Å²	130	121.2 Å²	121.2	64%	0.64	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-19.1	-174.6	-153.5	169.4	80.8	0	0	114.4	R324 S325	M322-R324 PolarHBondContact O-N 3.25Å; M322-S325 PolarHBondContact O-OG 2.95Å
323	I	36.5	Very low	34.2	Very low	110 Å²	110	118.3 Å²	118.3	56%	0.564	65%	0.651	S	S	*	*	H	α-helix	trans	-75.9	-22.9	-175.8	-63.3	174.3	0	0	0	112.5
324	R	33.9	Very low	34.3	Very low	212 Å²	212	119.6 Å²	119.6	80%	0.8	65%	0.648	S	S	*	*	H	α-helix	trans	-82.3	-15.8	-177.3	-80.6	-174.7	173.9	165.9	0.2	115.4	M322	M322-R324 PolarHBondContact O-N 3.25Å
325	S	34.7	Very low	34.6	Very low	72 Å²	72	118.9 Å²	118.9	50%	0.503	63%	0.634	S	S	.	*	H	α-helix	trans	-89.3	-37.2	175.4	50.5	0	0	0	0	112.3	M322 L328 Y329	M322-S325 PolarHBondContact O-OG 2.95Å; S325-L328 PolarHBondContact O-N 2.8Å; S325-Y329 PolarHBondContact O-N 3.27Å
326	Q	37.8	Very low	34.7	Very low	119 Å²	119	119.1 Å²	119.1	56%	0.556	63%	0.629	S	S	*	*	H	α-helix	trans	-67.9	-36.2	-178.2	-67.4	-175.3	-13.5	0	0	113.2	L328 Y329 A330	Q326-L328 VanDerWaalsContact C-N 3.26Å; Q326-L328 PolarHBondContact O-N 3.47Å; Q326-Y329 PolarHBondContact O-N 3.03Å; Q326-A330 PolarHBondContact O-N 3.37Å
327	S	41.8	Very low	34.9	Very low	74 Å²	74	122.8 Å²	122.8	52%	0.517	63%	0.63	S	S	.	*	H	α-helix	trans	-63	-30.4	178.2	57.1	0	0	0	0	113.5	Y331	S327-Y331 PolarHBondContact O-N 3.13Å
328	L	35.5	Very low	35	Very low	108 Å²	108	120 Å²	120	57%	0.565	62%	0.623	S	S	*	*	H	α-helix	trans	-76.2	-35.1	177.3	-129.8	166.5	0	0	0	111.6	S325 Q326 L332	S325-L328 PolarHBondContact O-N 2.8Å; Q326-L328 VanDerWaalsContact C-N 3.26Å; Q326-L328 PolarHBondContact O-N 3.47Å; L328-L332 HydrophobicContact CD2-CD1 4.38Å; L328-L332 WeakPolarHBondContact O-CG 3.48Å; L328-L332 PolarHBondContact O-N 3.47Å
329	Y	35.5	Very low	35	Very low	179 Å²	179	119.2 Å²	119.2	70%	0.702	62%	0.617	S	S	*	*	H	α-helix	trans	-68.3	-44.2	173.6	-120.6	-87.5	0	0	0	112	S325 Q326 Y331 L332 S333	S325-Y329 PolarHBondContact O-N 3.27Å; Q326-Y329 PolarHBondContact O-N 3.03Å; Y329-Y331 VanDerWaalsContact C-N 3.26Å; Y329-Y331 PolarHBondContact O-N 3.02Å; Y329-L332 PolarHBondContact O-N 3.37Å; Y329-S333 PolarHBondContact O-N 3Å; Y329-S333 VanDerWaalsContact O-N 3.07Å; Y329-S333 PolarHBondContact O-OG 3.3Å
330	A	37	Very low	34.9	Very low	59 Å²	59	121.5 Å²	121.5	49%	0.488	62%	0.622	S	S	.	*	H	α-helix	trans	-58.4	-37.6	175.6	0	0	0	0	0	112.5	Q326 L332	Q326-A330 PolarHBondContact O-N 3.37Å; A330-L332 VanDerWaalsContact C-N 3.31Å; A330-L332 PolarHBondContact O-N 3.31Å
331	Y	36.2	Very low	34.7	Very low	164 Å²	164	123.1 Å²	123.1	64%	0.643	63%	0.631	S	S	*	*	H	α-helix	trans	-70.3	-24.7	177.3	-159.5	-97.3	0	0	0	113.6	S327 Y329	S327-Y331 PolarHBondContact O-N 3.13Å; Y329-Y331 VanDerWaalsContact C-N 3.26Å; Y329-Y331 PolarHBondContact O-N 3.02Å
332	L	37.8	Very low	34.1	Very low	80 Å²	80	121.8 Å²	121.8	42%	0.419	64%	0.635	S	S	.	*	H	α-helix	trans	-85.1	-37	177.4	-71.4	170.7	0	0	0	112.6	L328 Y329 A330 M334 R335	L328-L332 HydrophobicContact CD2-CD1 4.38Å; L328-L332 WeakPolarHBondContact O-CG 3.48Å; L328-L332 PolarHBondContact O-N 3.47Å; Y329-L332 PolarHBondContact O-N 3.37Å; A330-L332 VanDerWaalsContact C-N 3.31Å; A330-L332 PolarHBondContact O-N 3.31Å; L332-M334 PolarHBondContact O-N 3.36Å; L332-R335 WeakPolarHBondContact O-CB 3.37Å; L332-R335 PolarHBondContact O-N 2.62Å; L332-R335 VanDerWaalsContact O-N 3.08Å
333	S	36.3	Very low	34	Very low	68 Å²	68	119.8 Å²	119.8	48%	0.476	64%	0.638	S	S	.	*	H	α-helix	trans	-57.8	-45.3	178	-63	0	0	0	0	112.6	Y329 R335 N336	Y329-S333 PolarHBondContact O-N 3Å; Y329-S333 VanDerWaalsContact O-N 3.07Å; Y329-S333 PolarHBondContact O-OG 3.3Å; S333-R335 PolarHBondContact O-N 3.21Å; S333-N336 PolarHBondContact O-N 3.47Å; S333-N336 VanDerWaalsContact O-N 3.15Å
334	M	35.2	Very low	33.7	Very low	123 Å²	123	124.4 Å²	124.4	61%	0.606	65%	0.654	S	S	*	*	H	α-helix	trans	-61.2	-18.1	178.5	-61.4	-165.8	-54	0	0	114	L332 S338	L332-M334 PolarHBondContact O-N 3.36Å; M334-S338 PolarHBondContact O-OG 3.49Å
335	R	37.2	Very low	33.6	Very low	130 Å²	130	121 Å²	121	49%	0.491	66%	0.657	S	S	.	*	H	α-helix	trans	-87.6	-15.5	-178.6	-161.7	168.9	-175.8	157.5	3.6	113.5	L332 S333	L332-R335 WeakPolarHBondContact O-CB 3.37Å; L332-R335 PolarHBondContact O-N 2.62Å; L332-R335 VanDerWaalsContact O-N 3.08Å; S333-R335 PolarHBondContact O-N 3.21Å
336	N	33.9	Very low	33.3	Very low	137 Å²	137	123.2 Å²	123.2	73%	0.733	67%	0.673	S	S	*	*	H	α-helix	trans	-92	-27.2	176.5	-76.7	-4.1	0	0	0	113	S333 S338	S333-N336 PolarHBondContact O-N 3.47Å; S333-N336 VanDerWaalsContact O-N 3.15Å; N336-S338 VanDerWaalsContact C-N 3.31Å
337	E	31.6	Very low	32.9	Very low	164 Å²	164	121.6 Å²	121.6	77%	0.766	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-16.2	178.2	-64.8	-178.9	148	0	0	113.3
338	S	31.9	Very low	32.4	Very low	95 Å²	95	126 Å²	126	66%	0.664	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	8.6	-173.5	39.6	0	0	0	0	115	M334 N336	M334-S338 PolarHBondContact O-OG 3.49Å; N336-S338 VanDerWaalsContact C-N 3.31Å
339	A	30.5	Very low	32.2	Very low	78 Å²	78	125.6 Å²	125.6	65%	0.645	71%	0.71	S	S	*	*	S	Bend	trans	-98.5	-16.8	-177.2	0	0	0	0	0	115.2
340	N	27.9	Very low	31.8	Very low	138 Å²	138	125.6 Å²	125.6	74%	0.738	72%	0.721	S	S	*	*	S	Bend	trans	-127.4	93.5	-176.3	-75.8	-31.7	0	0	0	110.8
341	N	27.7	Very low	31.6	Very low	166 Å²	166	126.8 Å²	126.8	89%	0.888	73%	0.731	S	S	*	*			trans	166.4	65.5	151.3	-87.5	-27.9	0	0	0	112.9
342	V	27.1	Very low	31.3	Very low	152 Å²	152	125.7 Å²	125.7	92%	0.921	74%	0.736	S	S	*	*			trans	-140.2	78.3	166.4	-169.7	0	0	0	0	111.3
343	A	27.1	Very low	30.9	Very low	87 Å²	87	127.5 Å²	127.5	72%	0.719	75%	0.751	S	S	*	*			trans	-161.7	136.1	162.5	0	0	0	0	0	110.3
344	K	31.6	Very low	30.7	Very low	208 Å²	208	130.5 Å²	130.5	90%	0.904	77%	0.766	S	S	*	*			trans	70.5	134.8	-173.6	-48.5	171.2	-176.5	174.2	0	112.6
345	T	32.3	Very low	30.3	Very low	139 Å²	139	133.2 Å²	133.2	85%	0.853	78%	0.775	S	S	*	*			cis	-138.6	148.8	-0.7	42.8	0	0	0	0	111.5
346	S	26.4	Very low	30	Very low	120 Å²	120	133.1 Å²	133.1	84%	0.839	79%	0.794	S	S	*	*			trans	-102.4	130.7	164.9	54.3	0	0	0	0	111.3
347	A	30.1	Very low	29.8	Very low	84 Å²	84	133.7 Å²	133.7	69%	0.694	80%	0.796	S	S	*	*			trans	-176.7	143.8	148	0	0	0	0	0	112.2
348	N	32.3	Very low	29.8	Very low	166 Å²	166	135.5 Å²	135.5	89%	0.888	80%	0.801	S	S	*	*			trans	67.4	141.7	162.8	-54.7	-17.4	0	0	0	117.6
349	A	31.5	Very low	30	Very low	101 Å²	101	135.7 Å²	135.7	84%	0.835	80%	0.8	S	S	*	*			cis	-132.7	155.4	3.1	0	0	0	0	0	112.4
350	L	26	Very low	30.1	Very low	178 Å²	178	138.9 Å²	138.9	93%	0.932	81%	0.807	S	S	*	*			trans	-130.9	115.7	175.9	-175.4	88.9	0	0	0	109.5
351	A	32.2	Very low	30.3	Very low	85 Å²	85	139.7 Å²	139.7	70%	0.702	81%	0.811	S	S	*	*			trans	-169.8	145.2	168.3	0	0	0	0	0	108.4
352	N	31.5	Very low	30.4	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	80%	0.797	S	S	*	*			cis	-155.4	157.9	-9.7	-109.9	-13.4	0	0	0	109.9
353	T	29.2	Very low	30.8	Very low	118 Å²	118	140.4 Å²	140.4	72%	0.724	80%	0.798	S	S	*	*			trans	14.2	145.6	150	63.2	0	0	0	0	120.5
354	T	31.3	Very low	31	Very low	130 Å²	130	143.2 Å²	143.2	80%	0.798	80%	0.8	S	S	*	*			cis	-161.1	162.4	40.8	-43.5	0	0	0	0	113
355	F	27.6	Very low	31	Very low	180 Å²	180	140.7 Å²	140.7	79%	0.789	80%	0.795	S	S	*	*			trans	-68.6	156.9	172.5	-72.9	-105	0	0	0	115.2
356	S	30.6	Very low	31.2	Very low	128 Å²	128	139.8 Å²	139.8	90%	0.895	79%	0.789	S	S	*	*			trans	-161	153.1	131.7	-84.9	0	0	0	0	112.1
357	I	29.9	Very low	31.2	Very low	149 Å²	149	141.5 Å²	141.5	76%	0.764	79%	0.789	S	S	*	*			trans	-126.1	143.3	-173.2	-62	170.3	0	0	0	109.7
358	K	30.4	Very low	31.3	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	79%	0.792	S	S	*	*			trans	-158.4	136.5	152.8	-115.2	175.9	-175.6	-177.6	0	112.3
359	P	37.3	Very low	31.2	Very low	98 Å²	98	143.4 Å²	143.4	64%	0.636	79%	0.786	S	S	*	*			trans	-107.4	-179.9	179.6	41.4	-35.6	0	0	0	114.2
360	D	31.8	Very low	31.5	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	78%	0.776	S	S	*	*			trans	66.8	141.3	164.1	-56.1	-30.7	0	0	0	117.7
361	N	32.2	Very low	31.8	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	77%	0.772	S	S	*	*			cis	-150.2	-178.9	41.1	-137.2	-54.2	0	0	0	115.2
362	S	30.6	Very low	31.7	Very low	86 Å²	86	147.4 Å²	147.4	60%	0.601	78%	0.778	S	S	*	*			trans	-107.6	164.9	-160	65.5	0	0	0	0	117
363	R	35.3	Very low	32	Very low	248 Å²	248	145.7 Å²	145.7	94%	0.936	78%	0.775	S	S	*	*			trans	-167.4	144.9	133.5	-105.2	162.1	-169.4	179.2	3.7	114
364	N	31.8	Very low	32	Very low	145 Å²	145	146.9 Å²	146.9	78%	0.775	78%	0.776	S	S	*	*			trans	-109.2	-179	-168	-78.1	-37.5	0	0	0	114.1
365	I	31.7	Very low	32	Very low	156 Å²	156	148.9 Å²	148.9	80%	0.8	77%	0.774	S	S	*	*			trans	110.6	135.9	132.8	-94	155.1	0	0	0	120.5
366	V	34.5	Very low	32	Very low	119 Å²	119	147.1 Å²	147.1	72%	0.721	77%	0.768	S	S	*	*			trans	61.7	127.6	-178.8	-144	0	0	0	0	116.6	V368	V366-V368 HydrophobicContact CG1-CG2 4.47Å
367	D	28.2	Very low	31.8	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	76%	0.763	S	S	*	*			cis	97.3	164.2	14.7	-156.3	16.1	0	0	0	116.5
368	V	30.7	Very low	31.6	Very low	125 Å²	125	145.5 Å²	145.5	76%	0.758	76%	0.759	S	S	*	*			trans	104.4	106.2	177.5	-175.3	0	0	0	0	117.6	V366	V366-V368 HydrophobicContact CG1-CG2 4.47Å
369	Q	30.2	Very low	31.6	Very low	164 Å²	164	141.7 Å²	141.7	77%	0.766	75%	0.752	S	S	*	*			trans	-91.7	-160.5	161.8	-87	-104.7	-5.2	0	0	110
370	P	39.2	Very low	31.2	Very low	96 Å²	96	143 Å²	143	62%	0.623	76%	0.758	S	S	*	*			cis	-136.9	-178.1	-8.3	23.2	3	0	0	0	115.5
371	K	30.8	Very low	31.1	Very low	192 Å²	192	141.4 Å²	141.4	84%	0.835	75%	0.754	S	S	*	*				147.9	123	121.2	-80.8	179.7	179.8	172.7	0	116.9
372	L	31.3	Very low	31	Very low	161 Å²	161	139.3 Å²	139.3	84%	0.843	75%	0.751	S	S	*	*			trans	-88.7	164.2	149.5	-100.1	161.4	0	0	0	108.8
373	P	37.9	Very low	31.2	Very low	104 Å²	104	141.5 Å²	141.5	68%	0.675	76%	0.761	S	S	*	*				-165.1	178.7	80.5	45.3	-23.4	0	0	0	120.8
374	L	29.6	Very low	31	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	75%	0.752	S	S	*	*			trans	82.7	103.6	145.4	-79.9	161.7	0	0	0	124.3
375	K	29.7	Very low	31.5	Very low	172 Å²	172	134.1 Å²	134.1	75%	0.748	75%	0.752	S	S	*	*				63.4	116	124.6	-88.4	-172.1	177.8	-176.7	0	124.6
376	Q	28.3	Very low	31.7	Very low	142 Å²	142	133 Å²	133	66%	0.664	75%	0.747	S	S	*	*				93.2	107.9	109.6	-163.3	170.7	-9.7	0	0	122.3
377	M	27.3	Very low	31.8	Very low	163 Å²	163	133 Å²	133	80%	0.803	74%	0.743	S	S	*	*			trans	70.9	115.5	144.6	-70.8	175.4	77.5	0	0	123.5
378	A	25.9	Very low	32.1	Very low	81 Å²	81	132.1 Å²	132.1	67%	0.669	74%	0.739	S	S	*	*				91.5	116.6	118.3	0	0	0	0	0	123.6
379	V	29.7	Very low	32.4	Very low	123 Å²	123	131 Å²	131	75%	0.745	74%	0.736	S	S	*	*				88.2	137.2	128.9	171.1	0	0	0	0	120.8
380	T	28.2	Very low	32.7	Very low	124 Å²	124	128.8 Å²	128.8	76%	0.761	73%	0.73	S	S	*	*			trans	65.3	146.1	166.5	49.1	0	0	0	0	118.2
381	T	30.5	Very low	32.6	Very low	114 Å²	114	132.2 Å²	132.2	70%	0.699	74%	0.737	S	S	*	*			cis	-166.3	147.3	-8.3	14.8	0	0	0	0	111.7
382	S	29.5	Very low	32.7	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	74%	0.737	S	S	*	*			trans	60.8	161.1	151.6	68.8	0	0	0	0	118.6
383	T	34.2	Very low	33	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	74%	0.742	S	S	*	*			cis	-141.3	167.2	14.3	43.9	0	0	0	0	113.2
384	T	31.8	Very low	32.7	Very low	120 Å²	120	135 Å²	135	74%	0.736	74%	0.74	S	S	*	*			trans	-80.7	162.3	171.3	52	0	0	0	0	113.8
385	P	43.1	Very low	32.9	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	74%	0.739	S	S	*	*				-127.9	158.6	85.9	8.8	14.4	0	0	0	113.2
386	N	35	Very low	33	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	73%	0.734	S	S	*	*				67.2	136.9	56.3	-88.7	5.4	0	0	0	113.9
387	N	35.8	Very low	33.2	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	74%	0.741	S	S	*	*			cis	-153.6	149.2	22.1	-91.5	-41.6	0	0	0	114.1
388	N	35.2	Very low	33.2	Very low	140 Å²	140	132 Å²	132	75%	0.749	74%	0.735	S	S	*	*				46	160.1	127	-41.9	-24.8	0	0	0	121.8
389	S	38.1	Very low	33.3	Very low	102 Å²	102	135 Å²	135	71%	0.713	74%	0.735	S	S	*	*			cis	-149	-169	13.9	62.4	0	0	0	0	110
390	N	34.9	Very low	33.3	Very low	116 Å²	116	138.2 Å²	138.2	62%	0.62	74%	0.735	S	S	*	*			cis	-158.9	-164	11.2	-143.6	-54.3	0	0	0	111.2
391	H	37	Very low	33.3	Very low	169 Å²	169	137.6 Å²	137.6	78%	0.782	74%	0.736	S	S	*	*			trans	57.6	94.6	170.4	-74.6	-71.8	0	0	0	116.6
392	R	34.5	Very low	33.3	Very low	223 Å²	223	140.2 Å²	140.2	84%	0.842	74%	0.744	S	S	*	*			cis	62.6	103	48.2	-64.1	-175.4	155.7	-170.9	-4.5	115.8
393	Q	36.2	Very low	33.2	Very low	200 Å²	200	138.9 Å²	138.9	94%	0.935	74%	0.74	S	S	*	*				-155.4	166.4	103.3	-112.8	171.1	-21.6	0	0	111.2
394	S	32.4	Very low	32.9	Very low	91 Å²	91	142.7 Å²	142.7	64%	0.636	74%	0.739	S	S	*	*			trans	-134.2	178.5	-169.1	60.5	0	0	0	0	109.6
395	D	34.6	Very low	32.8	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	74%	0.741	S	S	*	*			cis	-123.1	-132.6	5.1	-71.2	-88.1	0	0	0	109.3
396	N	31.4	Very low	32	Very low	120 Å²	120	145.8 Å²	145.8	64%	0.642	74%	0.737	S	S	*	*			cis	-163.3	173.7	-2.4	-146.3	-26.5	0	0	0	112.5
397	Y	31.1	Very low	31.9	Very low	203 Å²	203	145.6 Å²	145.6	80%	0.796	74%	0.741	S	S	*	*			trans	64.4	103.5	164	-71.8	-65.5	0	0	0	121.4
398	S	27.3	Very low	31.5	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	75%	0.75	S	S	*	*			trans	-63.9	174.9	137.8	50	0	0	0	0	110.8
399	E	28.1	Very low	31.4	Very low	144 Å²	144	144.5 Å²	144.5	67%	0.673	75%	0.752	S	S	*	*				-173	-172.1	50.4	-171.1	165.9	-118.5	0	0	111.5
400	Y	30.7	Very low	31.3	Very low	189 Å²	189	144.2 Å²	144.2	74%	0.741	75%	0.75	S	S	*	*			trans	88	100.5	167.5	-68	-80.4	0	0	0	119.9
401	S	28.2	Very low	31.3	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	75%	0.75	S	S	*	*			trans	-93.5	145	138.4	-61.2	0	0	0	0	109.3
402	I	31	Very low	31.2	Very low	168 Å²	168	145.9 Å²	145.9	86%	0.862	75%	0.753	S	S	*	*			trans	-167.3	145.2	142.5	-103.4	153.2	0	0	0	112.6
403	A	26.9	Very low	30.9	Very low	82 Å²	82	138.3 Å²	138.3	68%	0.678	74%	0.744	S	S	*	*			trans	-53	179.2	-170	0	0	0	0	0	120.8
404	R	28.2	Very low	30.8	Very low	212 Å²	212	133.3 Å²	133.3	80%	0.8	74%	0.738	S	S	*	*			trans	100.2	145.2	161	-59.4	-176.1	176.8	-166.2	-0.6	114.8
405	R	29.6	Very low	30.7	Very low	204 Å²	204	137.4 Å²	137.4	77%	0.77	75%	0.747	S	S	*	*			cis	-152.2	154.9	2	-134.7	172	-174	-173	-1.1	111.9
406	S	26.8	Very low	30.6	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	75%	0.749	S	S	*	*			trans	-78.1	151.5	155.4	176.4	0	0	0	0	110.1
407	V	31.9	Very low	30.6	Very low	130 Å²	130	135.1 Å²	135.1	79%	0.788	75%	0.751	S	S	*	*			trans	-135.5	121.7	167.9	-176.1	0	0	0	0	108.9
408	C	26.8	Very low	30.7	Very low	120 Å²	120	132.7 Å²	132.7	81%	0.811	75%	0.75	S	S	*	*			trans	-139.6	137.2	169.3	-74.9	0	0	0	0	108.3
409	S	33.5	Very low	30.8	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	76%	0.758	S	S	*	*			trans	-175.6	143.7	172.5	177	0	0	0	0	108.2
410	S	36.1	Very low	31.2	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	76%	0.762	S	S	*	*			cis	-171.5	-179.7	-23.5	56.8	0	0	0	0	106
411	V	34.4	Very low	31	Very low	103 Å²	103	131.5 Å²	131.5	62%	0.624	77%	0.769	S	S	*	*			cis	-144.6	165.8	2.8	-99.1	0	0	0	0	105.7
412	Y	35.1	Very low	31.2	Very low	216 Å²	216	133.4 Å²	133.4	85%	0.847	77%	0.77	S	S	*	*			cis	-128	178	7.8	-70.3	-85.2	0	0	0	108.8
413	G	29.8	Very low	30.9	Very low	64 Å²	64	131.1 Å²	131.1	66%	0.66	77%	0.769	S	S	*	*			cis	128.8	138.9	-1.8	0	0	0	0	0	112.2
414	A	33.1	Very low	31.2	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	76%	0.764	S	S	*	*			trans	65.2	136.6	-177.3	0	0	0	0	0	116.6
415	E	30.2	Very low	31	Very low	177 Å²	177	130.8 Å²	130.8	83%	0.827	77%	0.769	S	S	*	*			cis	-160.5	148.8	-10.4	-131.2	170.3	-135.3	0	0	112.2
416	S	32.1	Very low	31	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	77%	0.767	S	S	*	*			trans	63.2	154.5	162.4	77.9	0	0	0	0	119.9
417	S	32.4	Very low	30.9	Very low	98 Å²	98	132.6 Å²	132.6	69%	0.685	78%	0.779	S	S	*	*			cis	-159.8	137.4	-31.5	51	0	0	0	0	112.2
418	I	32.1	Very low	30.8	Very low	152 Å²	152	133.2 Å²	133.2	78%	0.779	78%	0.777	S	S	*	*			trans	59.1	112.7	150.8	-56.3	163.4	0	0	0	119
419	S	30.4	Very low	30.8	Very low	120 Å²	120	133.6 Å²	133.6	84%	0.839	78%	0.78	S	S	*	*			trans	-149.7	115.3	146.4	-76.6	0	0	0	0	108.6
420	P	35.8	Very low	30.8	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	78%	0.775	S	S	*	*			trans	-88.2	119.2	-173.7	32.2	-32.1	0	0	0	112.3
421	N	27	Very low	30.2	Very low	168 Å²	168	136.1 Å²	136.1	90%	0.898	79%	0.785	S	S	*	*			trans	-77.2	127.5	156.1	-89.8	-40.6	0	0	0	108.7
422	L	31.4	Very low	30	Very low	152 Å²	152	142.1 Å²	142.1	80%	0.796	80%	0.797	S	S	*	*			trans	-121.3	93.3	169.1	-172.6	69.6	0	0	0	109.9
423	S	25.1	Very low	29.5	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	80%	0.799	S	S	*	*			trans	-79.8	119	162.6	51.6	0	0	0	0	109
424	T	32.9	Very low	29.4	Very low	93 Å²	93	145 Å²	145	57%	0.571	80%	0.802	S	S	*	*			trans	-139.2	117.3	171.5	-52.4	0	0	0	0	108.8	L426	T424-L426 HydrophobicContact CG2-CG 4.22Å; T424-L426 PolarHBondContact O-N 3.45Å
425	E	24.8	Very low	29.1	Very low	194 Å²	194	148.2 Å²	148.2	91%	0.907	80%	0.804	S	S	*	*			trans	-69.5	124.9	166.9	-66.4	-174.5	120.4	0	0	109
426	L	29.3	Very low	29	Very low	139 Å²	139	144.9 Å²	144.9	73%	0.728	80%	0.8	S	S	*	*			trans	-132	123	164.8	-75	177.5	0	0	0	109.4	T424 L428	T424-L426 HydrophobicContact CG2-CG 4.22Å; T424-L426 PolarHBondContact O-N 3.45Å; L426-L428 PolarHBondContact O-N 3.14Å
427	H	25.7	Very low	28.8	Very low	203 Å²	203	145.5 Å²	145.5	94%	0.94	80%	0.802	S	S	*	*			trans	-56.5	118.9	170.3	-93.5	-122	0	0	0	110.6
428	L	29.4	Very low	28.6	Very low	143 Å²	143	145.6 Å²	145.6	75%	0.749	80%	0.802	S	S	*	*			trans	-136.8	109.4	168.2	-91.6	133.9	0	0	0	110.8	L426 S430	L426-L428 PolarHBondContact O-N 3.14Å; L428-S430 PolarHBondContact O-N 3.38Å
429	S	26.2	Very low	28.5	Very low	127 Å²	127	148.4 Å²	148.4	89%	0.888	81%	0.809	S	S	*	*			trans	-68.8	90.6	179	36.5	0	0	0	0	111.9	N431	S429-N431 PolarHBondContact O-N 3.23Å
430	S	32.6	Very low	28.5	Very low	96 Å²	96	149.5 Å²	149.5	67%	0.671	80%	0.801	S	S	*	*			trans	-87.2	95	-178.3	-71.9	0	0	0	0	113.3	L428 R432	L428-S430 PolarHBondContact O-N 3.38Å; S430-R432 PolarHBondContact O-N 2.94Å
431	N	25.1	Very low	28.1	Very low	168 Å²	168	155.2 Å²	155.2	90%	0.898	81%	0.807	S	S	*	*			trans	-62.4	99.3	159.9	-105.8	-49.8	0	0	0	109.9	S429	S429-N431 PolarHBondContact O-N 3.23Å
432	R	29.5	Very low	28.2	Very low	229 Å²	229	154.2 Å²	154.2	86%	0.864	80%	0.795	S	S	*	*			trans	-119.8	105.3	166.1	-77.8	-166.7	-178.3	-116.3	3.3	111.1	S430	S430-R432 PolarHBondContact O-N 2.94Å
433	R	25.3	Very low	28.1	Very low	237 Å²	237	152 Å²	152	89%	0.894	79%	0.793	S	S	*	*			trans	-72.6	133.1	156	-57.9	174.6	-176.5	167.9	0.2	107.6
434	S	26.5	Very low	28.5	Very low	104 Å²	104	153 Å²	153	73%	0.727	79%	0.789	S	S	*	*			trans	160.4	119.5	130.8	57.5	0	0	0	0	112.6
435	I	27.3	Very low	28.3	Very low	162 Å²	162	157.7 Å²	157.7	83%	0.831	80%	0.804	S	S	*	*			trans	58.2	81.7	144.2	-45.6	166.2	0	0	0	116.5
436	S	27.4	Very low	28.8	Very low	108 Å²	108	153.8 Å²	153.8	76%	0.755	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-87.4	139.9	140.7	-54.9	0	0	0	0	108.4	S438	S436-S438 PolarHBondContact O-N 2.82Å
437	P	28.9	Very low	28.9	Very low	125 Å²	125	156 Å²	156	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.7	117.2	165.8	-17.6	31.2	0	0	0	109.1
438	S	28.1	Very low	29.3	Very low	100 Å²	100	152 Å²	152	70%	0.699	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.6	135.3	178.4	44.5	0	0	0	0	110.7	S436 Q440	S436-S438 PolarHBondContact O-N 2.82Å; S438-Q440 PolarHBondContact O-N 3.06Å
439	F	30.5	Very low	29.4	Very low	211 Å²	211	152.8 Å²	152.8	93%	0.925	80%	0.8	S	S	*	*			trans	-63.9	96	165.6	-88.3	-95.8	0	0	0	109.1	R441	F439-R441 PolarHBondContact O-N 3.12Å
440	Q	29.7	Very low	29.8	Very low	143 Å²	143	149.9 Å²	149.9	67%	0.668	79%	0.79	S	S	*	*			trans	-70.3	98.5	170.2	-76.3	-172	-47.7	0	0	109.5	S438 F442	S438-Q440 PolarHBondContact O-N 3.06Å; Q440-F442 VanDerWaalsContact C-N 3.27Å; Q440-F442 HydrophobicContact CB-CD2 3.9Å; Q440-F442 HydrophobicContact CB-CE2 3.48Å; Q440-F442 VanDerWaalsContact CB-CE2 3.48Å; Q440-F442 HydrophobicContact CB-CZ 4.11Å; Q440-F442 HydrophobicContact CG-CE2 4.36Å; Q440-F442 WeakPolarHBondContact O-CD2 3.25Å; Q440-F442 PolarHBondContact O-N 2.85Å
441	R	26.7	Very low	29.8	Very low	237 Å²	237	153 Å²	153	89%	0.894	81%	0.805	S	S	*	*			trans	-75	79.2	174.4	-168.4	179	-166.4	163.4	3.5	109.5	F439 S443	F439-R441 PolarHBondContact O-N 3.12Å; R441-S443 PolarHBondContact O-N 2.94Å
442	F	30	Very low	30.5	Very low	147 Å²	147	150.7 Å²	150.7	65%	0.645	80%	0.797	S	S	*	*			trans	-64.8	96.7	175.2	-74.8	-78.9	0	0	0	111.1	Q440 N444	Q440-F442 VanDerWaalsContact C-N 3.27Å; Q440-F442 HydrophobicContact CB-CD2 3.9Å; Q440-F442 HydrophobicContact CB-CE2 3.48Å; Q440-F442 VanDerWaalsContact CB-CE2 3.48Å; Q440-F442 HydrophobicContact CB-CZ 4.11Å; Q440-F442 HydrophobicContact CG-CE2 4.36Å; Q440-F442 WeakPolarHBondContact O-CD2 3.25Å; Q440-F442 PolarHBondContact O-N 2.85Å; F442-N444 PolarHBondContact O-N 3.08Å
443	S	28.3	Very low	30.8	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	79%	0.791	S	S	*	*			trans	-90.1	82.7	166.8	54.4	0	0	0	0	109.3	R441 Q445	R441-S443 PolarHBondContact O-N 2.94Å; S443-Q445 PolarHBondContact O-N 2.77Å
444	N	34.7	Very low	31.2	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	79%	0.788	S	S	*	*			trans	-74.1	121.9	176.1	-69.7	11.4	0	0	0	109.8	F442	F442-N444 PolarHBondContact O-N 3.08Å
445	Q	27.7	Very low	31.8	Very low	191 Å²	191	147.7 Å²	147.7	89%	0.893	79%	0.792	S	S	*	*			trans	-97.6	113.3	165.2	-72	178.5	-22.3	0	0	108.8	S443	S443-Q445 PolarHBondContact O-N 2.77Å
446	S	36.1	Very low	32.3	Very low	112 Å²	112	148 Å²	148	78%	0.783	79%	0.79	S	S	*	*			trans	-160.5	130.4	159	-27.5	0	0	0	0	108.3
447	E	30.7	Very low	32.7	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	79%	0.788	S	S	*	*			trans	-76.7	161.1	160.9	-70.4	148.1	142	0	0	107.8
448	T	35.3	Very low	33.4	Very low	119 Å²	119	149.6 Å²	149.6	73%	0.73	79%	0.791	S	S	*	*			cis	-149.3	170.6	47.8	49.4	0	0	0	0	114.9
449	D	30.9	Very low	34.5	Very low	160 Å²	160	150.7 Å²	150.7	86%	0.856	78%	0.784	S	S	*	*			trans	53.2	89.5	152.3	-55.1	-21.5	0	0	0	119.7
450	G	35.3	Very low	35.8	Very low	67 Å²	67	145.4 Å²	145.4	69%	0.691	77%	0.769	S	S	*	*			trans	-176.6	97.7	163.1	0	0	0	0	0	111.3	V452	G450-V452 PolarHBondContact O-N 2.99Å; G450-V452 VanDerWaalsContact O-N 3.07Å
451	V	32.3	Very low	37.9	Very low	161 Å²	161	144.6 Å²	144.6	98%	0.976	77%	0.769	S	S	*	*			trans	-74.4	99.9	178.7	-179.5	0	0	0	0	109.6
452	V	40.2	Very low	40.9	Very low	120 Å²	120	135.7 Å²	135.7	73%	0.727	74%	0.739	S	S	*	*			trans	-138.1	142.2	173.1	-177.4	0	0	0	0	108.4	G450 K454	G450-V452 PolarHBondContact O-N 2.99Å; G450-V452 VanDerWaalsContact O-N 3.07Å; V452-K454 PolarHBondContact O-N 3.45Å
453	D	35.9	Very low	43.9	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	73%	0.733	S	S	*	*			trans	-55.2	122.6	-164.6	-63.9	-75.5	0	0	0	115.5	H455	D453-H455 PolarHBondContact O-N 3.11Å
454	K	33.1	Very low	47	Very low	193 Å²	193	127.9 Å²	127.9	84%	0.839	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	19.9	-177.7	-84	-177.1	173.7	174.9	0	115	V452	V452-K454 PolarHBondContact O-N 3.45Å
455	H	39.3	Very low	49.9	Very low	174 Å²	174	125 Å²	125	81%	0.806	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	3.2	-177.7	-70.8	-61.7	0	0	0	115.5	D453	D453-H455 PolarHBondContact O-N 3.11Å
456	Q	37.3	Very low	53.1	Low	168 Å²	168	116 Å²	116	79%	0.785	64%	0.639	S	S	*	*			trans	-103.5	22.9	179.9	-133.6	80.4	58.2	0	0	115	N458	Q456-N458 PolarHBondContact O-N 2.94Å
457	S	35.8	Very low	56	Low	101 Å²	101	113.1 Å²	113.1	71%	0.706	61%	0.612	S	S	*	*			trans	-94.4	28.2	-162.8	61.3	0	0	0	0	117.6	K459	S457-K459 VanDerWaalsContact C-N 3.29Å
458	N	43.2	Very low	59	Low	167 Å²	167	104.7 Å²	104.7	89%	0.893	57%	0.573	S	S	*	*			trans	-98.7	43	158.1	-90.5	-30.6	0	0	0	110.9	Q456 T460	Q456-N458 PolarHBondContact O-N 2.94Å; N458-T460 PolarHBondContact O-N 3.13Å; N458-T460 VanDerWaalsContact O-N 3.12Å
459	K	51.9	Low	61.6	Low	123 Å²	123	102.7 Å²	102.7	54%	0.535	56%	0.562	S	S	.	*			trans	-77.6	98.3	-169	-156.3	171.3	-175.2	-176.6	0	110.8	S457 N461 H479	S457-K459 VanDerWaalsContact C-N 3.29Å; K459-N461 PolarHBondContact O-N 2.6Å; K459-H479 PolarHBondContact NZ-NE2 2.78Å
460	T	57.7	Low	64.4	Low	100 Å²	100	98.7 Å²	98.7	61%	0.613	54%	0.541	S	S	*	.			trans	-67.4	101.7	171.3	39.4	0	0	0	0	109.6	N458 L462	N458-T460 PolarHBondContact O-N 3.13Å; N458-T460 VanDerWaalsContact O-N 3.12Å; T460-L462 PolarHBondContact O-N 3.2Å
461	N	74.6	Confident	67.1	Low	125 Å²	125	106.9 Å²	106.9	67%	0.668	55%	0.551	S	S	*	*			trans	-72	74.9	179.8	-73.1	-17.5	0	0	0	111.3	K459	K459-N461 PolarHBondContact O-N 2.6Å
462	L	89.5	Confident	70	Confident	50 Å²	50	102.7 Å²	102.7	26%	0.262	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.9	170.4	-176.2	65.3	0	0	0	109.5	T460 V478 F525 L528	T460-L462 PolarHBondContact O-N 3.2Å; L462-V478 HydrophobicContact CB-CB 4.46Å; L462-V478 HydrophobicContact CD2-CB 4.23Å; L462-V478 HydrophobicContact CD2-CG1 4.27Å; L462-V478 HydrophobicContact CG-CB 4.34Å; L462-V478 PolarHBondContact O-N 3.43Å; L462-F525 HydrophobicContact CB-CD2 4.45Å; L462-F525 HydrophobicContact CB-CE2 4.44Å; L462-F525 HydrophobicContact CD2-CD2 3.72Å; L462-F525 HydrophobicContact CD2-CE2 4.16Å; L462-L528 HydrophobicContact CD2-CB 3.82Å; L462-L528 HydrophobicContact CD2-CD1 4.02Å
463	T	92	Very high	72.6	Confident	84 Å²	84	99 Å²	99	52%	0.515	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.3	166.7	55.4	0	0	0	0	109.4	I476	T463-I476 CarbonylContact C-O 3.53Å; T463-I476 VanDerWaalsContact CA-O 3.28Å; T463-I476 WeakPolarHBondContact CA-O 3.25Å
464	V	93.3	Very high	75.3	Confident	7 Å²	7	94.2 Å²	94.2	4%	0.042	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	173.8	65.5	0	0	0	0	109	I466 H475 I476 V478 L528 I539	V464-I466 HydrophobicContact CG1-CD1 3.93Å; V464-I466 HydrophobicContact CG1-CG1 4.02Å; V464-I466 HydrophobicContact CG2-CG1 4.1Å; V464-H475 CarbonylContact O-C 3.47Å; V464-H475 VanDerWaalsContact O-CA 3.3Å; V464-H475 WeakPolarHBondContact O-CA 3.34Å; V464-I476 HydrophobicContact CG1-CB 4.06Å; V464-I476 PolarHBondContact N-O 3.5Å; V464-I476 PolarHBondContact O-N 3.29Å; V464-V478 HydrophobicContact CB-CG2 3.8Å; V464-V478 HydrophobicContact CG1-CG2 3.47Å; V464-V478 VanDerWaalsContact CG1-CG2 3.47Å; V464-L528 HydrophobicContact CB-CD1 3.83Å; V464-L528 HydrophobicContact CG2-CD1 3.88Å; V464-L528 HydrophobicContact CG2-CD2 4.1Å; V464-I539 HydrophobicContact CG2-CD1 4Å
465	Q	95.2	Very high	78.2	Confident	80 Å²	80	90.2 Å²	90.2	37%	0.374	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.4	167.9	-172.4	174.8	4.9	0	0	108.1	F467 S473	Q465-F467 HydrophobicContact CG-CE2 4.16Å; Q465-F467 HydrophobicContact CG-CZ 4.04Å; Q465-S473 PolarHBondContact NE2-OG 3Å
466	I	96.2	Very high	80.8	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.4	178.5	-58.9	175.8	0	0	0	108	V464 L468 S473 I474 I476 L491 L505 I539 L541	V464-I466 HydrophobicContact CG1-CD1 3.93Å; V464-I466 HydrophobicContact CG1-CG1 4.02Å; V464-I466 HydrophobicContact CG2-CG1 4.1Å; I466-L468 WeakPolarHBondContact O-CD1 3.49Å; I466-S473 CarbonylContact O-C 3.59Å; I466-S473 WeakPolarHBondContact O-CA 3.2Å; I466-S473 WeakPolarHBondContact O-CB 3.35Å; I466-I474 PolarHBondContact N-O 3.23Å; I466-I474 PolarHBondContact O-N 3.48Å; I466-I476 HydrophobicContact CD1-CD1 4.34Å; I466-L491 HydrophobicContact CD1-CD1 3.87Å; I466-L491 HydrophobicContact CG2-CD1 4.02Å; I466-L505 HydrophobicContact CD1-CD1 4.17Å; I466-L505 HydrophobicContact CD1-CD2 4.12Å; I466-L505 HydrophobicContact CG2-CD2 4.04Å; I466-I539 WeakPolarHBondContact CA-O 2.86Å; I466-I539 HydrophobicContact CG1-CB 4.47Å; I466-I539 HydrophobicContact CG1-CG2 4.19Å; I466-I539 HydrophobicContact CG2-CG2 4.39Å; I466-L541 HydrophobicContact CG2-CB 4.15Å
467	F	96.4	Very high	83.4	Confident	53 Å²	53	77 Å²	77	23%	0.232	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	139.1	-178.9	-64.4	-87.8	0	0	0	110.8	Q465 L538 I539 F540 L541	Q465-F467 HydrophobicContact CG-CE2 4.16Å; Q465-F467 HydrophobicContact CG-CZ 4.04Å; F467-L538 HydrophobicContact CD2-CB 4.48Å; F467-L538 HydrophobicContact CE2-CB 4.47Å; F467-L538 HydrophobicContact CE2-CD2 3.76Å; F467-L538 HydrophobicContact CZ-CD2 4.25Å; F467-I539 PolarHBondContact N-O 2.91Å; F467-F540 HydrophobicContact CB-CD1 3.6Å; F467-F540 HydrophobicContact CB-CE1 3.71Å; F467-F540 HydrophobicContact CB-CG 4.21Å; F467-F540 HydrophobicContact CB-CZ 4.4Å; F467-F540 HydrophobicContact CG-CE1 4.33Å; F467-F540 CarbonylContact O-C 3.49Å; F467-F540 WeakPolarHBondContact O-CA 3.49Å; F467-L541 PolarHBondContact O-N 3.4Å
468	L	94.6	Very high	86.1	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.037	37%	0.374	C	S	.	.			trans	-107	159	-176.2	-74.2	86.8	0	0	0	111.5	I466 D470 R471 T472 I474 L541	I466-L468 WeakPolarHBondContact O-CD1 3.49Å; L468-D470 WeakPolarHBondContact CB-OD1 3.26Å; L468-D470 PolarHBondContact O-N 2.88Å; L468-R471 PolarHBondContact O-N 3.11Å; L468-T472 PolarHBondContact N-O 2.9Å; L468-I474 HydrophobicContact CD1-CB 4.17Å; L468-I474 HydrophobicContact CD1-CD1 3.91Å; L468-I474 HydrophobicContact CD1-CG1 3.82Å; L468-I474 HydrophobicContact CD2-CD1 4.03Å; L468-L541 HydrophobicContact CD2-CD2 4.47Å; L468-L541 HydrophobicContact CG-CD2 4.42Å
469	P	89.8	Confident	88.4	Confident	77 Å²	77	67.3 Å²	67.3	50%	0.5	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.8	179.5	-24.4	35.7	0	0	0	114	R471 L541	P469-R471 PolarHBondContact O-N 2.97Å; P469-L541 WeakPolarHBondContact CD-O 3.46Å; P469-L541 WeakPolarHBondContact CG-O 3.47Å
470	D	89.8	Confident	90.2	Very high	77 Å²	77	65 Å²	65	41%	0.412	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	7.9	174.1	49.1	48.9	0	0	0	113.8	L468 T472 K497	L468-D470 WeakPolarHBondContact CB-OD1 3.26Å; L468-D470 PolarHBondContact O-N 2.88Å; D470-T472 PolarHBondContact O-N 2.9Å; D470-T472 VanDerWaalsContact OD1-CB 3.31Å; D470-T472 WeakPolarHBondContact OD1-CB 3.41Å; D470-T472 WeakPolarHBondContact OD1-CG2 3.49Å; D470-T472 PolarHBondContact OD1-N 3.34Å; D470-T472 VanDerWaalsContact OD1-N 3.13Å; D470-T472 PolarHBondContact OD1-OG1 3.44Å; D470-K497 IonicContact OD2-NZ 3.23Å; D470-K497 PolarHBondContact OD2-NZ 3.27Å
471	R	90.6	Very high	91.9	Very high	239 Å²	239	64.7 Å²	64.7	90%	0.902	34%	0.343	S	S	*	.	S	Bend	trans	66.4	8.5	-178	-48.1	-180	-177.9	-167.4	-1	114.8	L468 P469	L468-R471 PolarHBondContact O-N 3.11Å; P469-R471 PolarHBondContact O-N 2.97Å
472	T	93.7	Very high	92.9	Very high	73 Å²	73	59.6 Å²	59.6	45%	0.448	32%	0.316	S	S	.	.			trans	-80.7	175.7	167.6	73.7	0	0	0	0	111.1	L468 D470	L468-T472 PolarHBondContact N-O 2.9Å; D470-T472 PolarHBondContact O-N 2.9Å; D470-T472 VanDerWaalsContact OD1-CB 3.31Å; D470-T472 WeakPolarHBondContact OD1-CB 3.41Å; D470-T472 WeakPolarHBondContact OD1-CG2 3.49Å; D470-T472 PolarHBondContact OD1-N 3.34Å; D470-T472 VanDerWaalsContact OD1-N 3.13Å; D470-T472 PolarHBondContact OD1-OG1 3.44Å
473	S	94.8	Very high	93.2	Very high	43 Å²	43	58.2 Å²	58.2	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.1	171.6	67.4	0	0	0	0	111.8	Q465 I466	Q465-S473 PolarHBondContact NE2-OG 3Å; I466-S473 CarbonylContact O-C 3.59Å; I466-S473 WeakPolarHBondContact O-CA 3.2Å; I466-S473 WeakPolarHBondContact O-CB 3.35Å
474	I	93.5	Very high	93.5	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.195	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.2	-179.9	-68	171.2	0	0	0	109.7	I466 L468 I476 L491 N495	I466-I474 PolarHBondContact N-O 3.23Å; I466-I474 PolarHBondContact O-N 3.48Å; L468-I474 HydrophobicContact CD1-CB 4.17Å; L468-I474 HydrophobicContact CD1-CD1 3.91Å; L468-I474 HydrophobicContact CD1-CG1 3.82Å; L468-I474 HydrophobicContact CD2-CD1 4.03Å; I474-I476 HydrophobicContact CG2-CG1 4.12Å; I474-L491 HydrophobicContact CB-CD2 4.21Å; I474-L491 HydrophobicContact CD1-CD2 4.32Å; I474-L491 HydrophobicContact CG2-CD2 4.19Å; I474-N495 WeakPolarHBondContact CD1-ND2 3.3Å; I474-N495 VanDerWaalsContact CD1-OD1 3.29Å; I474-N495 WeakPolarHBondContact CD1-OD1 3.43Å
475	H	94	Very high	93.7	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.505	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.1	173.6	-68.2	-96.8	0	0	0	110.6	V464	V464-H475 CarbonylContact O-C 3.47Å; V464-H475 VanDerWaalsContact O-CA 3.3Å; V464-H475 WeakPolarHBondContact O-CA 3.34Å
476	I	92.7	Very high	93.7	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.3	177.3	-66.2	-170.8	0	0	0	109.9	T463 V464 I466 I474 V478 K490 L491	T463-I476 CarbonylContact C-O 3.53Å; T463-I476 VanDerWaalsContact CA-O 3.28Å; T463-I476 WeakPolarHBondContact CA-O 3.25Å; V464-I476 HydrophobicContact CG1-CB 4.06Å; V464-I476 PolarHBondContact N-O 3.5Å; V464-I476 PolarHBondContact O-N 3.29Å; I466-I476 HydrophobicContact CD1-CD1 4.34Å; I474-I476 HydrophobicContact CG2-CG1 4.12Å; I476-V478 PolarHBondContact O-N 2.8Å; I476-K490 HydrophobicContact CD1-CG 4.4Å; I476-K490 HydrophobicContact CG2-CD 4.21Å; I476-L491 HydrophobicContact CD1-CD1 4.46Å; I476-L491 HydrophobicContact CD1-CD2 3.65Å; I476-L491 HydrophobicContact CD1-CG 3.6Å
477	P	92.3	Very high	93.7	Very high	59 Å²	59	55.3 Å²	55.3	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.7	168.7	28.7	-33.4	0	0	0	110
478	V	93	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.3	178.8	-179.6	0	0	0	0	108.5	L462 V464 I476 L524 F525 L528	L462-V478 HydrophobicContact CB-CB 4.46Å; L462-V478 HydrophobicContact CD2-CB 4.23Å; L462-V478 HydrophobicContact CD2-CG1 4.27Å; L462-V478 HydrophobicContact CG-CB 4.34Å; L462-V478 PolarHBondContact O-N 3.43Å; V464-V478 HydrophobicContact CB-CG2 3.8Å; V464-V478 HydrophobicContact CG1-CG2 3.47Å; V464-V478 VanDerWaalsContact CG1-CG2 3.47Å; I476-V478 PolarHBondContact O-N 2.8Å; V478-L524 HydrophobicContact CG1-CB 3.94Å; V478-F525 HydrophobicContact CG1-CB 4.03Å; V478-L528 HydrophobicContact CG2-CD1 4.11Å
479	H	91.8	Very high	93.7	Very high	64 Å²	64	55.6 Å²	55.6	30%	0.296	29%	0.292	S	S	.	.			trans	-109.1	163.4	169.3	-62.9	-16.6	0	0	0	109.6	K459 T481 T482	K459-H479 PolarHBondContact NZ-NE2 2.78Å; H479-T481 PolarHBondContact O-N 3.06Å; H479-T482 PolarHBondContact N-OG1 3.35Å; H479-T482 WeakPolarHBondContact O-CB 3.43Å; H479-T482 PolarHBondContact O-N 3.37Å; H479-T482 PolarHBondContact O-OG1 2.85Å
480	S	89.6	Confident	93.9	Very high	75 Å²	75	56.5 Å²	56.5	52%	0.524	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.8	178.3	48.6	0	0	0	0	113.8	Y523	S480-Y523 WeakPolarHBondContact O-CD1 3.38Å
481	T	92.7	Very high	94.1	Very high	93 Å²	93	52.9 Å²	52.9	57%	0.571	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.3	177.2	52	0	0	0	0	114.4	H479 T483 Q486 Y523	H479-T481 PolarHBondContact O-N 3.06Å; T481-T483 PolarHBondContact O-N 3.4Å; T481-Q486 PolarHBondContact O-OE1 3.38Å; T481-Y523 WeakPolarHBondContact O-CE1 3.07Å
482	T	94.9	Very high	94.2	Very high	18 Å²	18	41.6 Å²	41.6	11%	0.11	23%	0.227	C	C	.	.			trans	-75.9	113	-178.8	-56.2	0	0	0	0	111.1	H479 A487 Y523 L524	H479-T482 PolarHBondContact N-OG1 3.35Å; H479-T482 WeakPolarHBondContact O-CB 3.43Å; H479-T482 PolarHBondContact O-N 3.37Å; H479-T482 PolarHBondContact O-OG1 2.85Å; T482-A487 HydrophobicContact CG2-CB 4.35Å; T482-Y523 WeakPolarHBondContact O-CA 3.36Å; T482-L524 PolarHBondContact O-N 3.42Å
483	T	97	Very high	94	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.123	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-83.3	161.2	173.7	69.4	0	0	0	0	112.2	T481 L485 Q486 A487 D520 E522 Y523	T481-T483 PolarHBondContact O-N 3.4Å; T483-L485 VanDerWaalsContact C-N 3.29Å; T483-L485 PolarHBondContact O-N 2.86Å; T483-Q486 PolarHBondContact O-N 3.32Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.36Å; T483-Q486 PolarHBondContact OG1-N 3.46Å; T483-A487 PolarHBondContact O-N 3.48Å; T483-A487 VanDerWaalsContact O-N 3.11Å; T483-D520 WeakPolarHBondContact CB-O 3.45Å; T483-E522 CarbonylContact C-O 3.56Å; T483-E522 WeakPolarHBondContact CA-O 3.39Å; T483-Y523 HydrophobicContact CG2-CD1 3.99Å; T483-Y523 HydrophobicContact CG2-CE1 3.81Å
484	T	97.4	Very high	93.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-47.8	-49.8	169.5	-57.1	0	0	0	0	111.6	Q486 A487 L488 L505 L518 E519 E522	T484-Q486 PolarHBondContact O-N 3.06Å; T484-A487 PolarHBondContact O-N 3.44Å; T484-L488 WeakPolarHBondContact O-CB 3.35Å; T484-L488 PolarHBondContact O-N 3.19Å; T484-L505 HydrophobicContact CG2-CB 4.16Å; T484-L505 HydrophobicContact CG2-CD1 4.17Å; T484-L505 HydrophobicContact CG2-CG 4.24Å; T484-L518 HydrophobicContact CG2-CB 3.78Å; T484-E519 WeakPolarHBondContact CB-O 3.43Å; T484-E519 PolarHBondContact OG1-O 2.93Å; T484-E522 PolarHBondContact N-O 2.86Å; T484-E522 PolarHBondContact OG1-O 3.45Å; T484-E522 VanDerWaalsContact OG1-O 3.12Å
485	L	97.4	Very high	93.4	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-42.1	-178.5	-177.9	58	0	0	0	112.7	T483 A487 L488 Q489 D520 V701 T705	T483-L485 VanDerWaalsContact C-N 3.29Å; T483-L485 PolarHBondContact O-N 2.86Å; L485-A487 PolarHBondContact O-N 2.83Å; L485-L488 WeakPolarHBondContact O-CB 3.29Å; L485-L488 PolarHBondContact O-N 2.98Å; L485-Q489 HydrophobicContact CD1-CG 4.38Å; L485-Q489 WeakPolarHBondContact O-CG 3.45Å; L485-Q489 PolarHBondContact O-N 3.43Å; L485-D520 HydrophobicContact CB-CB 3.91Å; L485-D520 WeakPolarHBondContact CB-O 3.19Å; L485-D520 HydrophobicContact CD2-CB 4.5Å; L485-D520 PolarHBondContact N-O 3.17Å; L485-V701 HydrophobicContact CD2-CG1 3.77Å; L485-T705 HydrophobicContact CD1-CG2 4.31Å
486	Q	96	Very high	93.1	Very high	97 Å²	97	46.9 Å²	46.9	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-40.1	178	-71.6	172	-4.1	0	0	112.1	T481 T483 T484 L488 K490	T481-Q486 PolarHBondContact O-OE1 3.38Å; T483-Q486 PolarHBondContact O-N 3.32Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.36Å; T483-Q486 PolarHBondContact OG1-N 3.46Å; T484-Q486 PolarHBondContact O-N 3.06Å; Q486-L488 VanDerWaalsContact C-N 3.33Å; Q486-K490 WeakPolarHBondContact O-CB 3.31Å; Q486-K490 PolarHBondContact O-N 2.84Å
487	A	96	Very high	92.9	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-38.1	173.9	0	0	0	0	0	111.7	T482 T483 T484 L485 K490 L491 L505 L524	T482-A487 HydrophobicContact CG2-CB 4.35Å; T483-A487 PolarHBondContact O-N 3.48Å; T483-A487 VanDerWaalsContact O-N 3.11Å; T484-A487 PolarHBondContact O-N 3.44Å; L485-A487 PolarHBondContact O-N 2.83Å; A487-K490 PolarHBondContact O-N 3.09Å; A487-L491 WeakPolarHBondContact O-CG 3.18Å; A487-L491 PolarHBondContact O-N 2.92Å; A487-L505 HydrophobicContact CB-CD1 4.13Å; A487-L524 HydrophobicContact CB-CD1 3.51Å
488	L	96.5	Very high	93	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-44.9	177.6	-163.6	76	0	0	0	112.5	T484 L485 Q486 K490 L491 C492 L499 H503 L505 L541	T484-L488 WeakPolarHBondContact O-CB 3.35Å; T484-L488 PolarHBondContact O-N 3.19Å; L485-L488 WeakPolarHBondContact O-CB 3.29Å; L485-L488 PolarHBondContact O-N 2.98Å; Q486-L488 VanDerWaalsContact C-N 3.33Å; L488-K490 VanDerWaalsContact C-N 3.32Å; L488-K490 PolarHBondContact O-N 3.2Å; L488-L491 PolarHBondContact O-N 3Å; L488-C492 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-SG 2.85Å; L488-L499 HydrophobicContact CD2-CD1 3.59Å; L488-L499 HydrophobicContact CG-CD1 3.85Å; L488-H503 HydrophobicContact CD1-CB 4.3Å; L488-H503 HydrophobicContact CD2-CB 4.09Å; L488-H503 HydrophobicContact CG-CB 4.46Å; L488-L505 HydrophobicContact CD1-CD2 4Å; L488-L505 HydrophobicContact CD1-CG 4.09Å; L488-L541 HydrophobicContact CD1-CD1 3.35Å
489	Q	95.1	Very high	93.1	Very high	65 Å²	65	50.1 Å²	50.1	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-56.4	-47.2	171.2	-72.4	174	-76.1	0	0	110.6	L485 L491 C492 S493 L499 T705	L485-Q489 HydrophobicContact CD1-CG 4.38Å; L485-Q489 WeakPolarHBondContact O-CG 3.45Å; L485-Q489 PolarHBondContact O-N 3.43Å; Q489-L491 PolarHBondContact O-N 2.84Å; Q489-C492 PolarHBondContact O-N 2.82Å; Q489-S493 PolarHBondContact O-N 2.9Å; Q489-S493 PolarHBondContact O-OG 2.89Å; Q489-L499 HydrophobicContact CG-CD2 4.05Å; Q489-T705 HydrophobicContact CG-CG2 3.83Å; Q489-T705 VanDerWaalsContact NE2-CG2 3.31Å
490	K	93.1	Very high	93.2	Very high	97 Å²	97	48.9 Å²	48.9	42%	0.422	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-43.3	178.6	-174.7	168.4	179.4	170.7	0	112.3	I476 Q486 A487 L488 T494	I476-K490 HydrophobicContact CD1-CG 4.4Å; I476-K490 HydrophobicContact CG2-CD 4.21Å; Q486-K490 WeakPolarHBondContact O-CB 3.31Å; Q486-K490 PolarHBondContact O-N 2.84Å; A487-K490 PolarHBondContact O-N 3.09Å; L488-K490 VanDerWaalsContact C-N 3.32Å; L488-K490 PolarHBondContact O-N 3.2Å; K490-T494 WeakPolarHBondContact O-CB 3.49Å; K490-T494 PolarHBondContact O-N 3.42Å; K490-T494 PolarHBondContact O-OG1 3.2Å; K490-T494 VanDerWaalsContact O-OG1 3.11Å
491	L	94.3	Very high	93.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-48.1	172.2	-76.5	167.1	0	0	0	111.7	I466 I474 I476 A487 L488 Q489 T494 N495 L505 L541	I466-L491 HydrophobicContact CD1-CD1 3.87Å; I466-L491 HydrophobicContact CG2-CD1 4.02Å; I474-L491 HydrophobicContact CB-CD2 4.21Å; I474-L491 HydrophobicContact CD1-CD2 4.32Å; I474-L491 HydrophobicContact CG2-CD2 4.19Å; I476-L491 HydrophobicContact CD1-CD1 4.46Å; I476-L491 HydrophobicContact CD1-CD2 3.65Å; I476-L491 HydrophobicContact CD1-CG 3.6Å; A487-L491 WeakPolarHBondContact O-CG 3.18Å; A487-L491 PolarHBondContact O-N 2.92Å; L488-L491 PolarHBondContact O-N 3Å; Q489-L491 PolarHBondContact O-N 2.84Å; L491-T494 PolarHBondContact O-N 3.3Å; L491-N495 WeakPolarHBondContact O-CB 3.35Å; L491-N495 PolarHBondContact O-N 2.97Å; L491-N495 PolarHBondContact O-ND2 3.32Å; L491-L505 HydrophobicContact CD1-CD2 3.7Å; L491-L541 HydrophobicContact CB-CD2 4.38Å; L491-L541 HydrophobicContact CD1-CD1 4.05Å; L491-L541 HydrophobicContact CD1-CD2 4.25Å
492	C	93	Very high	93.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-48.7	-177.9	-65.7	0	0	0	0	111.1	L488 Q489 N495 Q496 K497 L499	L488-C492 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-SG 2.85Å; Q489-C492 PolarHBondContact O-N 2.82Å; C492-N495 PolarHBondContact O-N 2.84Å; C492-Q496 PolarHBondContact O-N 2.69Å; C492-Q496 VanDerWaalsContact O-N 3.14Å; C492-K497 CarbonylContact C-O 3.51Å; C492-K497 WeakPolarHBondContact CB-O 3.33Å; C492-K497 PolarHBondContact O-N 2.95Å; C492-L499 HydrophobicContact CB-CB 4.1Å
493	S	89.3	Confident	93.8	Very high	74 Å²	74	46 Å²	46	52%	0.517	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-45.4	177.1	-59.1	0	0	0	0	113.1	Q489 N495 Q496 H709	Q489-S493 PolarHBondContact O-N 2.9Å; Q489-S493 PolarHBondContact O-OG 2.89Å; S493-N495 VanDerWaalsContact C-N 3.31Å; S493-N495 PolarHBondContact O-N 2.69Å; S493-Q496 PolarHBondContact O-N 2.9Å; S493-H709 PolarHBondContact OG-CE1 3.11Å
494	T	87.8	Confident	93.8	Very high	94 Å²	94	45 Å²	45	58%	0.577	23%	0.228	S	C	*	.	H	α-helix	trans	-65.8	-32.3	179.3	-65.6	0	0	0	0	112.6	K490 L491	K490-T494 WeakPolarHBondContact O-CB 3.49Å; K490-T494 PolarHBondContact O-N 3.42Å; K490-T494 PolarHBondContact O-OG1 3.2Å; K490-T494 VanDerWaalsContact O-OG1 3.11Å; L491-T494 PolarHBondContact O-N 3.3Å
495	N	88	Confident	93.8	Very high	43 Å²	43	45 Å²	45	23%	0.23	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.2	177.9	-72.1	-77	0	0	0	114.3	I474 L491 C492 S493 K497	I474-N495 WeakPolarHBondContact CD1-ND2 3.3Å; I474-N495 VanDerWaalsContact CD1-OD1 3.29Å; I474-N495 WeakPolarHBondContact CD1-OD1 3.43Å; L491-N495 WeakPolarHBondContact O-CB 3.35Å; L491-N495 PolarHBondContact O-N 2.97Å; L491-N495 PolarHBondContact O-ND2 3.32Å; C492-N495 PolarHBondContact O-N 2.84Å; S493-N495 VanDerWaalsContact C-N 3.31Å; S493-N495 PolarHBondContact O-N 2.69Å; N495-K497 HydrophobicContact CB-CB 4.37Å; N495-K497 HydrophobicContact CB-CD 3.91Å; N495-K497 HydrophobicContact CB-CG 4.04Å; N495-K497 PolarHBondContact O-N 3.46Å
496	Q	87.3	Confident	93.8	Very high	163 Å²	163	44.4 Å²	44.4	76%	0.762	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.6	-171.4	-56.5	176.8	0.3	0	0	112.4	C492 S493 F713	C492-Q496 PolarHBondContact O-N 2.69Å; C492-Q496 VanDerWaalsContact O-N 3.14Å; S493-Q496 PolarHBondContact O-N 2.9Å; Q496-F713 WeakPolarHBondContact O-CE2 3.28Å; Q496-F713 WeakPolarHBondContact O-CZ 3.32Å
497	K	89.3	Confident	93.8	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	20%	0.203	S	C	.	.			trans	-105.8	143.1	178.8	-72.7	173.4	-175.5	170.5	0	110.3	D470 C492 N495 L499 H709	D470-K497 IonicContact OD2-NZ 3.23Å; D470-K497 PolarHBondContact OD2-NZ 3.27Å; C492-K497 CarbonylContact C-O 3.51Å; C492-K497 WeakPolarHBondContact CB-O 3.33Å; C492-K497 PolarHBondContact O-N 2.95Å; N495-K497 HydrophobicContact CB-CB 4.37Å; N495-K497 HydrophobicContact CB-CD 3.91Å; N495-K497 HydrophobicContact CB-CG 4.04Å; N495-K497 PolarHBondContact O-N 3.46Å; K497-L499 PolarHBondContact O-N 2.83Å; K497-H709 PolarHBondContact O-NE2 3.39Å
498	L	92.6	Very high	93.6	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.277	21%	0.205	S	C	.	.			trans	-74.5	121.5	174.1	-174.6	75.4	0	0	0	109.8	R710 F713	L498-R710 HydrophobicContact CD1-CB 3.87Å; L498-R710 HydrophobicContact CD1-CG 4.29Å; L498-F713 HydrophobicContact CD1-CB 4.14Å; L498-F713 HydrophobicContact CD1-CG 4.28Å
499	L	95.6	Very high	93.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.			trans	-62.9	134	171.1	178.3	63.3	0	0	0	110.3	L488 Q489 C492 K497 H503 T705 V706 H709	L488-L499 HydrophobicContact CD2-CD1 3.59Å; L488-L499 HydrophobicContact CG-CD1 3.85Å; Q489-L499 HydrophobicContact CG-CD2 4.05Å; C492-L499 HydrophobicContact CB-CB 4.1Å; K497-L499 PolarHBondContact O-N 2.83Å; L499-H503 HydrophobicContact CD1-CB 4.12Å; L499-T705 HydrophobicContact CD2-CG2 3.86Å; L499-V706 HydrophobicContact CD2-CG2 4.31Å; L499-V706 HydrophobicContact CG-CG2 4Å; L499-H709 HydrophobicContact CB-CB 4.27Å; L499-H709 PolarHBondContact N-CD2 3.33Å; L499-H709 VanDerWaalsContact N-CD2 3.3Å
500	T	95.3	Very high	93.1	Very high	38 Å²	38	39.6 Å²	39.6	23%	0.233	21%	0.205	C	C	.	.			trans	-123.9	167.6	177.2	75	0	0	0	0	111.4	K502 H503 E543 R702	T500-K502 PolarHBondContact O-N 3.22Å; T500-K502 PolarHBondContact OG1-N 3.01Å; T500-H503 PolarHBondContact N-ND1 3.45Å; T500-H503 PolarHBondContact O-N 3.34Å; T500-H503 PolarHBondContact OG1-N 2.94Å; T500-H503 PolarHBondContact OG1-ND1 3.1Å; T500-E543 PolarHBondContact OG1-OE1 2.86Å; T500-R702 PolarHBondContact O-NH1 3.08Å
501	M	95.9	Very high	92.8	Very high	27 Å²	27	39.5 Å²	39.5	13%	0.133	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.5	172.8	-62.8	-55.9	-67.5	0	0	112.5	Y548 E552 Y699 R702 M703 V706	M501-Y548 HydrophobicContact CE-CD2 4.21Å; M501-E552 WeakPolarHBondContact CB-OE1 3.4Å; M501-Y699 HydrophobicContact CE-CD2 3.66Å; M501-Y699 HydrophobicContact CE-CE2 3.49Å; M501-Y699 VanDerWaalsContact CE-CE2 3.49Å; M501-R702 HydrophobicContact CE-CB 4.17Å; M501-R702 HydrophobicContact CE-CG 3.8Å; M501-R702 PolarHBondContact O-NH1 2.96Å; M501-R702 HydrophobicContact SD-CB 4.46Å; M501-R702 HydrophobicContact SD-CG 3.68Å; M501-M703 HydrophobicContact CE-CB 4.14Å; M501-M703 HydrophobicContact SD-CB 4.17Å; M501-V706 HydrophobicContact SD-CB 4.32Å; M501-V706 HydrophobicContact SD-CG2 3.94Å
502	K	96.2	Very high	92.5	Very high	73 Å²	73	43.5 Å²	43.5	32%	0.317	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-19.6	-175.5	-63.2	-176.5	-179.2	-179.8	0	113.6	T500 A504 E543 R544	T500-K502 PolarHBondContact O-N 3.22Å; T500-K502 PolarHBondContact OG1-N 3.01Å; K502-A504 PolarHBondContact O-N 3.49Å; K502-E543 HydrophobicContact CB-CB 4.14Å; K502-E543 HydrophobicContact CB-CG 4.26Å; K502-E543 CarbonylContact O-C 3.57Å; K502-E543 WeakPolarHBondContact O-CA 3.43Å; K502-R544 PolarHBondContact O-N 2.66Å
503	H	96.8	Very high	92.4	Very high	25 Å²	25	46 Å²	46	12%	0.116	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	131.6	177.7	-83.9	85.5	0	0	0	111.4	L488 L499 T500 E542 R702	L488-H503 HydrophobicContact CD1-CB 4.3Å; L488-H503 HydrophobicContact CD2-CB 4.09Å; L488-H503 HydrophobicContact CG-CB 4.46Å; L499-H503 HydrophobicContact CD1-CB 4.12Å; T500-H503 PolarHBondContact N-ND1 3.45Å; T500-H503 PolarHBondContact O-N 3.34Å; T500-H503 PolarHBondContact OG1-N 2.94Å; T500-H503 PolarHBondContact OG1-ND1 3.1Å; H503-E542 CarbonylContact C-O 3.19Å; H503-E542 WeakPolarHBondContact CA-O 3.35Å; H503-R702 VanDerWaalsContact O-CZ 3.28Å; H503-R702 PolarHBondContact O-NH1 2.82Å; H503-R702 PolarHBondContact O-NH2 3Å
504	A	97.5	Very high	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155	177.4	0	0	0	0	0	111.4	K502 V506 E542 R544 L547	K502-A504 PolarHBondContact O-N 3.49Å; A504-V506 HydrophobicContact CB-CG2 4.4Å; A504-E542 PolarHBondContact N-O 3.47Å; A504-E542 PolarHBondContact O-N 2.93Å; A504-E542 VanDerWaalsContact O-N 3.09Å; A504-R544 HydrophobicContact CB-CB 3.82Å; A504-R544 HydrophobicContact CB-CG 3.63Å; A504-L547 HydrophobicContact CB-CD2 4.01Å
505	L	97.6	Very high	92.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.4	158.2	-62.8	-173.8	0	0	0	108.4	I466 T484 A487 L488 L491 L518 L524 I539 F540 L541	I466-L505 HydrophobicContact CD1-CD1 4.17Å; I466-L505 HydrophobicContact CD1-CD2 4.12Å; I466-L505 HydrophobicContact CG2-CD2 4.04Å; T484-L505 HydrophobicContact CG2-CB 4.16Å; T484-L505 HydrophobicContact CG2-CD1 4.17Å; T484-L505 HydrophobicContact CG2-CG 4.24Å; A487-L505 HydrophobicContact CB-CD1 4.13Å; L488-L505 HydrophobicContact CD1-CD2 4Å; L488-L505 HydrophobicContact CD1-CG 4.09Å; L491-L505 HydrophobicContact CD1-CD2 3.7Å; L505-L518 HydrophobicContact CB-CB 4.41Å; L505-L518 HydrophobicContact CB-CD1 4.01Å; L505-L518 HydrophobicContact CB-CG 4.36Å; L505-L518 PolarHBondContact O-N 2.86Å; L505-L524 HydrophobicContact CD1-CD1 4.23Å; L505-L524 HydrophobicContact CD1-CD2 4.31Å; L505-I539 HydrophobicContact CB-CG2 4.04Å; L505-I539 HydrophobicContact CD2-CG2 4.36Å; L505-F540 CarbonylContact C-O 3.51Å; L505-F540 WeakPolarHBondContact CA-O 3.48Å; L505-L541 HydrophobicContact CD2-CD1 4.15Å
506	V	96.8	Very high	93.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.3	-177.2	-179.1	0	0	0	0	109.2	A504 R508 E515 R516 I539 F540 E542 R544	A504-V506 HydrophobicContact CB-CG2 4.4Å; V506-R508 HydrophobicContact CG1-CG 4.28Å; V506-E515 HydrophobicContact CG1-CB 4.12Å; V506-R516 CarbonylContact C-O 3.5Å; V506-R516 VanDerWaalsContact CA-O 3.31Å; V506-R516 WeakPolarHBondContact CA-O 3.33Å; V506-I539 WeakPolarHBondContact O-CA 3.39Å; V506-F540 HydrophobicContact CB-CB 4.47Å; V506-F540 PolarHBondContact N-O 3.31Å; V506-F540 PolarHBondContact O-N 3.03Å; V506-E542 HydrophobicContact CG2-CB 4.1Å; V506-E542 HydrophobicContact CG2-CG 4.29Å; V506-R544 HydrophobicContact CG2-CG 3.73Å
507	E	95.1	Very high	93.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.5	165.8	167.4	175.6	-138.6	0	0	108.5	I509 E515 R516 L518 W531 Y636 H658	E507-I509 HydrophobicContact CG-CG1 4.17Å; E507-E515 CarbonylContact O-C 3.52Å; E507-E515 WeakPolarHBondContact O-CA 3.45Å; E507-E515 WeakPolarHBondContact O-CB 3.37Å; E507-R516 HydrophobicContact CB-CG 4.05Å; E507-R516 PolarHBondContact N-O 3.18Å; E507-R516 PolarHBondContact O-N 3.47Å; E507-R516 IonicContact OE2-NE 2.86Å; E507-R516 PolarHBondContact OE2-NE 3.07Å; E507-L518 HydrophobicContact CB-CD2 4.05Å; E507-W531 HydrophobicContact CG-CZ2 4.13Å; E507-W531 WeakPolarHBondContact OE1-CZ2 3.34Å; E507-W531 PolarHBondContact OE1-NE1 3.05Å; E507-Y636 HydrophobicContact CG-CE1 4.35Å; E507-Y636 VanDerWaalsContact OE2-CE1 3.26Å; E507-Y636 WeakPolarHBondContact OE2-CE1 3.13Å; E507-Y636 PolarHBondContact OE2-OH 3.13Å; E507-H658 IonicContact OE1-CD2 3.24Å; E507-H658 IonicContact OE1-NE2 2.88Å; E507-H658 PolarHBondContact OE1-NE2 2.85Å; E507-H658 IonicContact OE2-CD2 2.7Å; E507-H658 IonicContact OE2-NE2 3.26Å
508	R	93.5	Very high	94	Very high	10 Å²	10	25.6 Å²	25.6	4%	0.038	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.9	166.7	-66.7	-158.4	164.7	103.5	10.3	110.8	V506 E515 N537 L538 F540 E542	V506-R508 HydrophobicContact CG1-CG 4.28Å; R508-E515 HydrophobicContact CG-CB 3.91Å; R508-E515 IonicContact CZ-OE2 3.11Å; R508-E515 IonicContact NE-OE2 3.08Å; R508-E515 PolarHBondContact NE-OE2 3.25Å; R508-E515 IonicContact NH2-OE2 3.33Å; R508-E515 PolarHBondContact NH2-OE2 3.45Å; R508-N537 VanDerWaalsContact O-CA 3.29Å; R508-N537 WeakPolarHBondContact O-CA 3.39Å; R508-L538 HydrophobicContact CB-CB 4.48Å; R508-L538 PolarHBondContact N-O 3.43Å; R508-L538 PolarHBondContact O-N 3.43Å; R508-F540 HydrophobicContact CB-CD2 4.41Å; R508-F540 HydrophobicContact CB-CE2 4.22Å; R508-F540 HydrophobicContact CG-CD2 3.87Å; R508-F540 HydrophobicContact CG-CE2 3.97Å; R508-E542 IonicContact CZ-OE1 3.84Å; R508-E542 IonicContact CZ-OE2 3.32Å; R508-E542 IonicContact NH1-OE1 3.22Å; R508-E542 PolarHBondContact NH1-OE1 3.46Å; R508-E542 IonicContact NH1-OE2 3.4Å; R508-E542 VanDerWaalsContact NH2-CD 3.25Å; R508-E542 IonicContact NH2-OE1 3.75Å; R508-E542 PolarHBondContact NH2-OE1 3.48Å; R508-E542 IonicContact NH2-OE2 3.5Å; R508-E542 PolarHBondContact NH2-OE2 3.37Å
509	I	91.4	Very high	94.1	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	84.7	175.7	-51.2	-177.4	0	0	0	107.5	E507 V511 L512 H513 L514 Y636	E507-I509 HydrophobicContact CG-CG1 4.17Å; I509-V511 PolarHBondContact O-N 3.35Å; I509-L512 HydrophobicContact CG2-CB 4.14Å; I509-L512 HydrophobicContact CG2-CD1 4.1Å; I509-L512 HydrophobicContact CG2-CG 4.26Å; I509-L512 PolarHBondContact O-N 2.69Å; I509-L512 VanDerWaalsContact O-N 3.11Å; I509-H513 PolarHBondContact O-N 2.94Å; I509-H513 VanDerWaalsContact O-N 3.12Å; I509-L514 HydrophobicContact CB-CB 4.49Å; I509-L514 PolarHBondContact N-O 3.42Å; I509-L514 PolarHBondContact O-N 2.72Å; I509-Y636 HydrophobicContact CD1-CD1 4.4Å; I509-Y636 HydrophobicContact CD1-CE1 3.65Å; I509-Y636 HydrophobicContact CG1-CE1 4.35Å
510	P	89.4	Confident	94.2	Very high	47 Å²	47	23.9 Å²	23.9	31%	0.305	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-58	-42.9	-169.3	-26.9	36.3	0	0	0	113.7	L512 H513 E536 L538	P510-L512 PolarHBondContact O-N 3.35Å; P510-H513 PolarHBondContact O-N 3.1Å; P510-H513 PolarHBondContact O-ND1 2.77Å; P510-E536 WeakPolarHBondContact CD-O 3.47Å; P510-E536 WeakPolarHBondContact CG-O 3.44Å; P510-L538 HydrophobicContact CG-CD1 4.19Å; P510-L538 HydrophobicContact CG-CG 4.43Å
511	V	87	Confident	94.3	Very high	96 Å²	96	24 Å²	24	58%	0.582	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-56.9	-20.5	179.4	-177.8	0	0	0	0	113.6	I509 E536	I509-V511 PolarHBondContact O-N 3.35Å; V511-E536 HydrophobicContact CG2-CB 4.19Å; V511-E536 HydrophobicContact CG2-CG 4.42Å; V511-E536 WeakPolarHBondContact CG2-OE2 3.38Å
512	L	87.4	Confident	94.2	Very high	84 Å²	84	23 Å²	23	44%	0.44	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-120.8	4.8	-179.9	-61.7	174.3	0	0	0	112.5	I509 P510 L514 R656	I509-L512 HydrophobicContact CG2-CB 4.14Å; I509-L512 HydrophobicContact CG2-CD1 4.1Å; I509-L512 HydrophobicContact CG2-CG 4.26Å; I509-L512 PolarHBondContact O-N 2.69Å; I509-L512 VanDerWaalsContact O-N 3.11Å; P510-L512 PolarHBondContact O-N 3.35Å; L512-L514 HydrophobicContact CB-CD1 4.43Å; L512-L514 HydrophobicContact CB-CG 4.22Å; L512-L514 WeakPolarHBondContact O-CG 3.01Å; L512-L514 PolarHBondContact O-N 2.76Å; L512-L514 VanDerWaalsContact O-N 3.16Å; L512-R656 VanDerWaalsContact CD1-NH1 3.3Å
513	H	90.1	Very high	94.1	Very high	54 Å²	54	23.7 Å²	23.7	25%	0.25	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	39	-176.7	-49.4	-70.7	0	0	0	113.6	I509 P510 I639 Q642 N643	I509-H513 PolarHBondContact O-N 2.94Å; I509-H513 VanDerWaalsContact O-N 3.12Å; P510-H513 PolarHBondContact O-N 3.1Å; P510-H513 PolarHBondContact O-ND1 2.77Å; H513-I639 PolarHBondContact O-N 2.75Å; H513-Q642 PolarHBondContact CE1-OE1 2.68Å; H513-N643 WeakPolarHBondContact CB-ND2 3.15Å; H513-N643 WeakPolarHBondContact CB-OD1 3.39Å; H513-N643 PolarHBondContact O-ND2 2.89Å; H513-N643 VanDerWaalsContact O-ND2 3.08Å
514	L	92.8	Very high	94	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.058	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.4	178.4	-64.1	-175.1	0	0	0	111.5	I509 L512 Y636 I637 T638 V654	I509-L514 HydrophobicContact CB-CB 4.49Å; I509-L514 PolarHBondContact N-O 3.42Å; I509-L514 PolarHBondContact O-N 2.72Å; L512-L514 HydrophobicContact CB-CD1 4.43Å; L512-L514 HydrophobicContact CB-CG 4.22Å; L512-L514 WeakPolarHBondContact O-CG 3.01Å; L512-L514 PolarHBondContact O-N 2.76Å; L512-L514 VanDerWaalsContact O-N 3.16Å; L514-Y636 HydrophobicContact CB-CD1 4.1Å; L514-Y636 HydrophobicContact CB-CG 4.29Å; L514-Y636 HydrophobicContact CD1-CG 4.18Å; L514-I637 WeakPolarHBondContact CA-O 3.5Å; L514-T638 HydrophobicContact CD2-CG2 4.17Å; L514-V654 HydrophobicContact CD1-CB 4.22Å; L514-V654 HydrophobicContact CD1-CG1 4.4Å; L514-V654 HydrophobicContact CD1-CG2 4.39Å; L514-V654 HydrophobicContact CD2-CB 4.19Å; L514-V654 HydrophobicContact CD2-CG2 3.62Å
515	E	94.9	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.4	168.5	63.9	172.1	-142.2	0	0	112.1	V506 E507 R508 R544 Y636 I637 I639	V506-E515 HydrophobicContact CG1-CB 4.12Å; E507-E515 CarbonylContact O-C 3.52Å; E507-E515 WeakPolarHBondContact O-CA 3.45Å; E507-E515 WeakPolarHBondContact O-CB 3.37Å; R508-E515 HydrophobicContact CG-CB 3.91Å; R508-E515 IonicContact CZ-OE2 3.11Å; R508-E515 IonicContact NE-OE2 3.08Å; R508-E515 PolarHBondContact NE-OE2 3.25Å; R508-E515 IonicContact NH2-OE2 3.33Å; R508-E515 PolarHBondContact NH2-OE2 3.45Å; E515-R544 IonicContact OE1-CZ 2.81Å; E515-R544 VanDerWaalsContact OE1-CZ 3.24Å; E515-R544 IonicContact OE1-NH1 2.75Å; E515-R544 PolarHBondContact OE1-NH1 3.36Å; E515-R544 IonicContact OE1-NH2 2.98Å; E515-R544 PolarHBondContact OE1-NH2 3.31Å; E515-R544 IonicContact OE2-NH1 2.82Å; E515-Y636 CarbonylContact O-C 3.57Å; E515-Y636 WeakPolarHBondContact O-CA 3.3Å; E515-I637 HydrophobicContact CG-CD1 4.21Å; E515-I637 HydrophobicContact CG-CG1 3.65Å; E515-I637 PolarHBondContact N-O 3.31Å; E515-I637 PolarHBondContact O-N 3.04Å; E515-I639 HydrophobicContact CB-CD1 4.33Å; E515-I639 HydrophobicContact CB-CG1 4.18Å; E515-I639 HydrophobicContact CG-CG1 3.88Å
516	R	95.2	Very high	93.1	Very high	8 Å²	8	27.9 Å²	27.9	3%	0.03	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.4	168.8	70.6	175.9	-165.6	105.9	-15.9	111.2	V506 E507 L518 E522 Y527 Y636	V506-R516 CarbonylContact C-O 3.5Å; V506-R516 VanDerWaalsContact CA-O 3.31Å; V506-R516 WeakPolarHBondContact CA-O 3.33Å; E507-R516 HydrophobicContact CB-CG 4.05Å; E507-R516 PolarHBondContact N-O 3.18Å; E507-R516 PolarHBondContact O-N 3.47Å; E507-R516 IonicContact OE2-NE 2.86Å; E507-R516 PolarHBondContact OE2-NE 3.07Å; R516-L518 VanDerWaalsContact CZ-CD2 3.4Å; R516-E522 IonicContact CZ-OE1 3.02Å; R516-E522 IonicContact CZ-OE2 3.59Å; R516-E522 IonicContact NH1-OE1 3.17Å; R516-E522 PolarHBondContact NH1-OE1 2.71Å; R516-E522 IonicContact NH1-OE2 2.81Å; R516-E522 PolarHBondContact NH1-OE2 2.97Å; R516-E522 IonicContact NH2-OE1 2.97Å; R516-E522 PolarHBondContact NH2-OE1 3.05Å; R516-E522 IonicContact NH2-OE2 3.59Å; R516-E522 PolarHBondContact NH2-OE2 2.93Å; R516-Y527 VanDerWaalsContact NH2-CE1 3.26Å; R516-Y636 HydrophobicContact CB-CD1 3.83Å; R516-Y636 HydrophobicContact CB-CE1 4.13Å; R516-Y636 HydrophobicContact CB-CG 4.43Å; R516-Y636 HydrophobicContact CG-CD1 3.91Å; R516-Y636 HydrophobicContact CG-CE1 3.66Å
517	C	96.7	Very high	92.4	Very high	3 Å²	3	29 Å²	29	2%	0.02	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	143.9	158.5	-64.6	0	0	0	0	109.9	D546 L547	C517-D546 PolarHBondContact SG-OD2 3.36Å; C517-L547 HydrophobicContact CB-CD1 4Å
518	L	96.2	Very high	92.1	Very high	4 Å²	4	30 Å²	30	2%	0.021	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-84.3	134.7	162.6	-56.8	-175.6	0	0	0	108.5	T484 L505 E507 R516 E522 L524 I539	T484-L518 HydrophobicContact CG2-CB 3.78Å; L505-L518 HydrophobicContact CB-CB 4.41Å; L505-L518 HydrophobicContact CB-CD1 4.01Å; L505-L518 HydrophobicContact CB-CG 4.36Å; L505-L518 PolarHBondContact O-N 2.86Å; E507-L518 HydrophobicContact CB-CD2 4.05Å; R516-L518 VanDerWaalsContact CZ-CD2 3.4Å; L518-E522 WeakPolarHBondContact CA-OE1 3.38Å; L518-L524 HydrophobicContact CD1-CD2 3.54Å; L518-I539 HydrophobicContact CD1-CD1 4.29Å
519	E	96	Very high	91.7	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.051	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-75.9	148.1	176.3	-51.6	-68.2	164.5	0	0	109.8	T484 D521 E522 R687 I691	T484-E519 WeakPolarHBondContact CB-O 3.43Å; T484-E519 PolarHBondContact OG1-O 2.93Å; E519-D521 PolarHBondContact O-N 3.11Å; E519-D521 VanDerWaalsContact O-N 3.12Å; E519-E522 HydrophobicContact CB-CG 4.05Å; E519-E522 PolarHBondContact N-OE1 3.49Å; E519-E522 WeakPolarHBondContact O-CB 3.42Å; E519-E522 PolarHBondContact O-N 3.29Å; E519-R687 IonicContact OE1-CZ 3.49Å; E519-R687 IonicContact OE1-NE 3.76Å; E519-R687 PolarHBondContact OE1-NE 3.46Å; E519-R687 IonicContact OE1-NH2 2.75Å; E519-R687 PolarHBondContact OE1-NH2 3.05Å; E519-R687 IonicContact OE2-CZ 2.86Å; E519-R687 IonicContact OE2-NH2 3.22Å; E519-R687 PolarHBondContact OE2-NH2 2.94Å; E519-I691 HydrophobicContact CG-CD1 3.94Å; E519-I691 WeakPolarHBondContact OE1-CD1 3.4Å
520	D	97.4	Very high	91.2	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.8	-168.9	-88	-29.9	0	0	0	115.1	T483 L485 Y548 N698 R702	T483-D520 WeakPolarHBondContact CB-O 3.45Å; L485-D520 HydrophobicContact CB-CB 3.91Å; L485-D520 WeakPolarHBondContact CB-O 3.19Å; L485-D520 HydrophobicContact CD2-CB 4.5Å; L485-D520 PolarHBondContact N-O 3.17Å; D520-Y548 WeakPolarHBondContact OD2-CE2 3.34Å; D520-Y548 PolarHBondContact OD2-OH 3.24Å; D520-N698 HydrophobicContact CB-CB 4.27Å; D520-R702 VanDerWaalsContact CG-NH2 3.33Å; D520-R702 IonicContact OD1-CZ 3.17Å; D520-R702 IonicContact OD1-NE 3.51Å; D520-R702 PolarHBondContact OD1-NE 3.33Å; D520-R702 IonicContact OD1-NH2 2.69Å; D520-R702 PolarHBondContact OD1-NH2 3.23Å; D520-R702 IonicContact OD2-CZ 3.75Å; D520-R702 VanDerWaalsContact OD2-CZ 3.31Å; D520-R702 IonicContact OD2-NE 3.31Å; D520-R702 PolarHBondContact OD2-NE 3.14Å; D520-R702 IonicContact OD2-NH2 3.13Å; D520-R702 PolarHBondContact OD2-NH2 3.11Å; D520-R702 VanDerWaalsContact OD2-NH2 3.1Å
521	D	95.8	Very high	91.1	Very high	42 Å²	42	34.5 Å²	34.5	23%	0.225	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.3	177.1	80.7	-78.9	0	0	0	114.5	E519 Y523 R694 N698	E519-D521 PolarHBondContact O-N 3.11Å; E519-D521 VanDerWaalsContact O-N 3.12Å; D521-Y523 PolarHBondContact O-N 3.21Å; D521-R694 IonicContact OD1-CZ 3.22Å; D521-R694 IonicContact OD1-NE 3.53Å; D521-R694 PolarHBondContact OD1-NE 3.02Å; D521-R694 IonicContact OD1-NH2 3.77Å; D521-R694 PolarHBondContact OD1-NH2 3.38Å; D521-R694 WeakPolarHBondContact OD2-CD 3.22Å; D521-R694 IonicContact OD2-CZ 3.67Å; D521-R694 IonicContact OD2-NE 3.72Å; D521-R694 PolarHBondContact OD2-NE 2.75Å; D521-R694 IonicContact OD2-NH2 3.69Å; D521-R694 PolarHBondContact OD2-NH2 2.81Å; D521-R694 VanDerWaalsContact OD2-NH2 3.08Å; D521-N698 PolarHBondContact OD1-ND2 2.82Å
522	E	94.7	Very high	90.9	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.028	17%	0.171	C	C	.	.			trans	-64.1	124.4	-174.9	-75.2	-171.5	-71.9	0	0	111.4	T483 T484 R516 L518 E519 L524 Y527	T483-E522 CarbonylContact C-O 3.56Å; T483-E522 WeakPolarHBondContact CA-O 3.39Å; T484-E522 PolarHBondContact N-O 2.86Å; T484-E522 PolarHBondContact OG1-O 3.45Å; T484-E522 VanDerWaalsContact OG1-O 3.12Å; R516-E522 IonicContact CZ-OE1 3.02Å; R516-E522 IonicContact CZ-OE2 3.59Å; R516-E522 IonicContact NH1-OE1 3.17Å; R516-E522 PolarHBondContact NH1-OE1 2.71Å; R516-E522 IonicContact NH1-OE2 2.81Å; R516-E522 PolarHBondContact NH1-OE2 2.97Å; R516-E522 IonicContact NH2-OE1 2.97Å; R516-E522 PolarHBondContact NH2-OE1 3.05Å; R516-E522 IonicContact NH2-OE2 3.59Å; R516-E522 PolarHBondContact NH2-OE2 2.93Å; L518-E522 WeakPolarHBondContact CA-OE1 3.38Å; E519-E522 HydrophobicContact CB-CG 4.05Å; E519-E522 PolarHBondContact N-OE1 3.49Å; E519-E522 WeakPolarHBondContact O-CB 3.42Å; E519-E522 PolarHBondContact O-N 3.29Å; E522-L524 PolarHBondContact O-N 2.85Å; E522-Y527 HydrophobicContact CB-CE2 3.65Å; E522-Y527 VanDerWaalsContact CD-OH 3.29Å; E522-Y527 HydrophobicContact CG-CE2 4.2Å; E522-Y527 VanDerWaalsContact CG-OH 3.22Å; E522-Y527 WeakPolarHBondContact CG-OH 3.38Å; E522-Y527 WeakPolarHBondContact OE2-CE1 3.08Å; E522-Y527 PolarHBondContact OE2-OH 3.44Å
523	Y	94.3	Very high	90.6	Very high	87 Å²	87	38.7 Å²	38.7	34%	0.341	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-74.9	105.9	176.6	-68.1	-77.5	0	0	0	110.9	S480 T481 T482 T483 D521 F525 N526 Y527	S480-Y523 WeakPolarHBondContact O-CD1 3.38Å; T481-Y523 WeakPolarHBondContact O-CE1 3.07Å; T482-Y523 WeakPolarHBondContact O-CA 3.36Å; T483-Y523 HydrophobicContact CG2-CD1 3.99Å; T483-Y523 HydrophobicContact CG2-CE1 3.81Å; D521-Y523 PolarHBondContact O-N 3.21Å; Y523-F525 PolarHBondContact O-N 2.86Å; Y523-N526 WeakPolarHBondContact O-CB 3.31Å; Y523-N526 PolarHBondContact O-N 2.96Å; Y523-Y527 WeakPolarHBondContact O-CD2 3.47Å; Y523-Y527 WeakPolarHBondContact O-CE2 3.41Å
524	L	93.6	Very high	90.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-50.6	-34.9	-173.4	-65	-175.9	0	0	0	113.6	V478 T482 A487 L505 L518 E522 N526 Y527 L528	V478-L524 HydrophobicContact CG1-CB 3.94Å; T482-L524 PolarHBondContact O-N 3.42Å; A487-L524 HydrophobicContact CB-CD1 3.51Å; L505-L524 HydrophobicContact CD1-CD1 4.23Å; L505-L524 HydrophobicContact CD1-CD2 4.31Å; L518-L524 HydrophobicContact CD1-CD2 3.54Å; E522-L524 PolarHBondContact O-N 2.85Å; L524-N526 VanDerWaalsContact C-N 3.33Å; L524-N526 PolarHBondContact O-N 2.88Å; L524-Y527 PolarHBondContact O-N 2.86Å; L524-L528 HydrophobicContact CB-CD1 4.31Å; L524-L528 WeakPolarHBondContact O-CG 3.43Å; L524-L528 PolarHBondContact O-N 3.33Å; L524-L528 VanDerWaalsContact O-N 3.12Å
525	F	91.2	Very high	90	Very high	50 Å²	50	42 Å²	42	22%	0.219	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-39.4	177.1	-172.5	-88.9	0	0	0	113.5	L462 V478 Y523 Y527 S529	L462-F525 HydrophobicContact CB-CD2 4.45Å; L462-F525 HydrophobicContact CB-CE2 4.44Å; L462-F525 HydrophobicContact CD2-CD2 3.72Å; L462-F525 HydrophobicContact CD2-CE2 4.16Å; V478-F525 HydrophobicContact CG1-CB 4.03Å; Y523-F525 PolarHBondContact O-N 2.86Å; F525-Y527 VanDerWaalsContact C-N 3.27Å; F525-Y527 PolarHBondContact O-N 3.21Å; F525-S529 VanDerWaalsContact O-CB 3.22Å; F525-S529 WeakPolarHBondContact O-CB 3.4Å; F525-S529 PolarHBondContact O-N 2.95Å; F525-S529 PolarHBondContact O-OG 3.35Å
526	N	86.2	Confident	89.8	Confident	61 Å²	61	48 Å²	48	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-36.7	-178.7	-66.7	-10.3	0	0	0	111.7	Y523 L524 S529 S530	Y523-N526 WeakPolarHBondContact O-CB 3.31Å; Y523-N526 PolarHBondContact O-N 2.96Å; L524-N526 VanDerWaalsContact C-N 3.33Å; L524-N526 PolarHBondContact O-N 2.88Å; N526-S529 PolarHBondContact O-OG 2.91Å; N526-S530 PolarHBondContact O-OG 3Å
527	Y	81.6	Confident	89.6	Confident	23 Å²	23	48.6 Å²	48.6	9%	0.09	26%	0.264	C	S	.	.	H	α-helix	trans	-76.7	-58.7	-178.6	-54.9	-82.1	0	0	0	109.6	R516 E522 Y523 L524 F525 S529 S530 W531 Y634 H658	R516-Y527 VanDerWaalsContact NH2-CE1 3.26Å; E522-Y527 HydrophobicContact CB-CE2 3.65Å; E522-Y527 VanDerWaalsContact CD-OH 3.29Å; E522-Y527 HydrophobicContact CG-CE2 4.2Å; E522-Y527 VanDerWaalsContact CG-OH 3.22Å; E522-Y527 WeakPolarHBondContact CG-OH 3.38Å; E522-Y527 WeakPolarHBondContact OE2-CE1 3.08Å; E522-Y527 PolarHBondContact OE2-OH 3.44Å; Y523-Y527 WeakPolarHBondContact O-CD2 3.47Å; Y523-Y527 WeakPolarHBondContact O-CE2 3.41Å; L524-Y527 PolarHBondContact O-N 2.86Å; F525-Y527 VanDerWaalsContact C-N 3.27Å; F525-Y527 PolarHBondContact O-N 3.21Å; Y527-S529 VanDerWaalsContact C-N 3.25Å; Y527-S529 PolarHBondContact O-N 3.03Å; Y527-S530 PolarHBondContact O-N 3.3Å; Y527-S530 PolarHBondContact O-OG 3.29Å; Y527-W531 PolarHBondContact O-N 3.2Å; Y527-Y634 AromaticContact CE1-CE1 3.68Å; Y527-Y634 HydrophobicContact CE1-CE1 3.68Å; Y527-Y634 AromaticContact CE1-CZ 3.8Å; Y527-H658 AromaticContact CD1-CD2 4Å; Y527-H658 AromaticContact CD1-NE2 3.65Å; Y527-H658 PolarHBondContact O-CE1 3Å; Y527-H658 VanDerWaalsContact O-CE1 3.3Å
528	L	88.6	Confident	89.5	Confident	24 Å²	24	50.5 Å²	50.5	13%	0.126	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-34	-176.3	-65.2	169.6	0	0	0	113	L462 V464 V478 L524 S530 W531 I539	L462-L528 HydrophobicContact CD2-CB 3.82Å; L462-L528 HydrophobicContact CD2-CD1 4.02Å; V464-L528 HydrophobicContact CB-CD1 3.83Å; V464-L528 HydrophobicContact CG2-CD1 3.88Å; V464-L528 HydrophobicContact CG2-CD2 4.1Å; V478-L528 HydrophobicContact CG2-CD1 4.11Å; L524-L528 HydrophobicContact CB-CD1 4.31Å; L524-L528 WeakPolarHBondContact O-CG 3.43Å; L524-L528 PolarHBondContact O-N 3.33Å; L524-L528 VanDerWaalsContact O-N 3.12Å; L528-S530 VanDerWaalsContact C-N 3.29Å; L528-S530 PolarHBondContact O-N 3Å; L528-W531 HydrophobicContact CD2-CD2 4.34Å; L528-W531 HydrophobicContact CD2-CE3 3.87Å; L528-W531 HydrophobicContact CD2-CH2 4.02Å; L528-W531 HydrophobicContact CD2-CZ2 4.42Å; L528-W531 HydrophobicContact CD2-CZ3 3.71Å; L528-I539 HydrophobicContact CD2-CD1 4.03Å
529	S	84.9	Confident	89.5	Confident	74 Å²	74	50.6 Å²	50.6	52%	0.517	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.1	175.5	60	0	0	0	0	114.8	F525 N526 Y527	F525-S529 VanDerWaalsContact O-CB 3.22Å; F525-S529 WeakPolarHBondContact O-CB 3.4Å; F525-S529 PolarHBondContact O-N 2.95Å; F525-S529 PolarHBondContact O-OG 3.35Å; N526-S529 PolarHBondContact O-OG 2.91Å; Y527-S529 VanDerWaalsContact C-N 3.25Å; Y527-S529 PolarHBondContact O-N 3.03Å
530	S	81.7	Confident	89.5	Confident	40 Å²	40	51.5 Å²	51.5	28%	0.28	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.6	178	74.2	0	0	0	0	114.1	N526 Y527 L528 H658 S659	N526-S530 PolarHBondContact O-OG 3Å; Y527-S530 PolarHBondContact O-N 3.3Å; Y527-S530 PolarHBondContact O-OG 3.29Å; L528-S530 VanDerWaalsContact C-N 3.29Å; L528-S530 PolarHBondContact O-N 3Å; S530-H658 PolarHBondContact OG-CE1 3.29Å; S530-H658 VanDerWaalsContact OG-CE1 3.26Å; S530-H658 PolarHBondContact OG-ND1 3.22Å; S530-S659 PolarHBondContact O-OG 3.26Å
531	W	86.8	Confident	89.5	Confident	39 Å²	39	51.6 Å²	51.6	15%	0.148	28%	0.278	C	S	.	.	S	Bend	trans	-69.8	148.6	167.3	-72.1	-1.4	0	0	0	110.6	E507 Y527 L528 N537 I539 H658	E507-W531 HydrophobicContact CG-CZ2 4.13Å; E507-W531 WeakPolarHBondContact OE1-CZ2 3.34Å; E507-W531 PolarHBondContact OE1-NE1 3.05Å; Y527-W531 PolarHBondContact O-N 3.2Å; L528-W531 HydrophobicContact CD2-CD2 4.34Å; L528-W531 HydrophobicContact CD2-CE3 3.87Å; L528-W531 HydrophobicContact CD2-CH2 4.02Å; L528-W531 HydrophobicContact CD2-CZ2 4.42Å; L528-W531 HydrophobicContact CD2-CZ3 3.71Å; W531-N537 HydrophobicContact CD2-CB 3.88Å; W531-N537 HydrophobicContact CE3-CB 3.85Å; W531-N537 HydrophobicContact CH2-CB 3.42Å; W531-N537 VanDerWaalsContact CH2-CB 3.42Å; W531-N537 HydrophobicContact CZ2-CB 3.47Å; W531-N537 VanDerWaalsContact CZ2-CB 3.47Å; W531-N537 HydrophobicContact CZ3-CB 3.62Å; W531-N537 PolarHBondContact NE1-ND2 3.06Å; W531-I539 HydrophobicContact CH2-CD1 4.13Å; W531-I539 HydrophobicContact CH2-CG1 3.78Å; W531-I539 HydrophobicContact CZ2-CG1 4.41Å; W531-H658 AromaticContact CD1-CE1 3.21Å; W531-H658 AromaticContact CD1-ND1 3.97Å; W531-H658 AromaticContact CD1-NE2 3.84Å; W531-H658 AromaticContact NE1-CE1 3.15Å; W531-H658 PolarHBondContact NE1-CE1 3.15Å; W531-H658 AromaticContact NE1-NE2 3.29Å; W531-H658 PolarHBondContact NE1-NE2 3.3Å
532	K	82.4	Confident	89.5	Confident	88 Å²	88	50.7 Å²	50.7	38%	0.383	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69	150.2	176.1	-77.2	176.4	-175.4	165.7	0	111.6	G534 N535 T660	K532-G534 PolarHBondContact O-N 3.21Å; K532-N535 HydrophobicContact CB-CB 4.37Å; K532-N535 WeakPolarHBondContact O-CB 3.17Å; K532-N535 PolarHBondContact O-N 2.92Å; K532-N535 VanDerWaalsContact O-N 3.14Å; K532-N535 PolarHBondContact O-ND2 2.88Å; K532-T660 VanDerWaalsContact CD-OG1 3.28Å; K532-T660 WeakPolarHBondContact CD-OG1 3.44Å; K532-T660 WeakPolarHBondContact CE-O 3.22Å; K532-T660 WeakPolarHBondContact CE-OG1 3.32Å; K532-T660 WeakPolarHBondContact CG-OG1 3.32Å; K532-T660 PolarHBondContact NZ-O 3.24Å
533	I	82.3	Confident	89.6	Confident	181 Å²	181	53.6 Å²	53.6	93%	0.928	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	129	160.3	-59	170.9	0	0	0	107.9
534	G	82.9	Confident	89.7	Confident	77 Å²	77	49.5 Å²	49.5	79%	0.794	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	26	-174.9	0	0	0	0	0	114.7	K532	K532-G534 PolarHBondContact O-N 3.21Å
535	N	87	Confident	89.7	Confident	57 Å²	57	52.2 Å²	52.2	31%	0.305	28%	0.283	S	S	.	.			trans	-71	159.4	167	77.8	92	0	0	0	111.4	K532 N537	K532-N535 HydrophobicContact CB-CB 4.37Å; K532-N535 WeakPolarHBondContact O-CB 3.17Å; K532-N535 PolarHBondContact O-N 2.92Å; K532-N535 VanDerWaalsContact O-N 3.14Å; K532-N535 PolarHBondContact O-ND2 2.88Å; N535-N537 VanDerWaalsContact OD1-CB 3.24Å; N535-N537 WeakPolarHBondContact OD1-CB 3.27Å; N535-N537 PolarHBondContact OD1-N 3.35Å
536	E	89.6	Confident	89.9	Confident	126 Å²	126	49.9 Å²	49.9	59%	0.589	27%	0.273	S	S	*	.			trans	-107.7	16	177.1	-59.3	-180	179.4	0	0	112.2	P510 V511	P510-E536 WeakPolarHBondContact CD-O 3.47Å; P510-E536 WeakPolarHBondContact CG-O 3.44Å; V511-E536 HydrophobicContact CG2-CB 4.19Å; V511-E536 HydrophobicContact CG2-CG 4.42Å; V511-E536 WeakPolarHBondContact CG2-OE2 3.38Å
537	N	92.3	Very high	90.3	Very high	20 Å²	20	47 Å²	47	11%	0.107	26%	0.257	C	S	.	.			trans	-72.5	146.6	-179.3	-60.2	15.6	0	0	0	110.1	R508 W531 N535	R508-N537 VanDerWaalsContact O-CA 3.29Å; R508-N537 WeakPolarHBondContact O-CA 3.39Å; W531-N537 HydrophobicContact CD2-CB 3.88Å; W531-N537 HydrophobicContact CE3-CB 3.85Å; W531-N537 HydrophobicContact CH2-CB 3.42Å; W531-N537 VanDerWaalsContact CH2-CB 3.42Å; W531-N537 HydrophobicContact CZ2-CB 3.47Å; W531-N537 VanDerWaalsContact CZ2-CB 3.47Å; W531-N537 HydrophobicContact CZ3-CB 3.62Å; W531-N537 PolarHBondContact NE1-ND2 3.06Å; N535-N537 VanDerWaalsContact OD1-CB 3.24Å; N535-N537 WeakPolarHBondContact OD1-CB 3.27Å; N535-N537 PolarHBondContact OD1-N 3.35Å
538	L	94.2	Very high	91	Very high	44 Å²	44	46 Å²	46	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.8	-173.9	-56.5	174.4	0	0	0	110	F467 R508 P510 F540	F467-L538 HydrophobicContact CD2-CB 4.48Å; F467-L538 HydrophobicContact CE2-CB 4.47Å; F467-L538 HydrophobicContact CE2-CD2 3.76Å; F467-L538 HydrophobicContact CZ-CD2 4.25Å; R508-L538 HydrophobicContact CB-CB 4.48Å; R508-L538 PolarHBondContact N-O 3.43Å; R508-L538 PolarHBondContact O-N 3.43Å; P510-L538 HydrophobicContact CG-CD1 4.19Å; P510-L538 HydrophobicContact CG-CG 4.43Å; L538-F540 HydrophobicContact CB-CD2 4.18Å; L538-F540 HydrophobicContact CB-CE2 3.57Å; L538-F540 HydrophobicContact CB-CZ 4.38Å; L538-F540 HydrophobicContact CD1-CE2 3.83Å; L538-F540 HydrophobicContact CD1-CZ 3.95Å; L538-F540 HydrophobicContact CG-CE2 4.37Å
539	I	96.4	Very high	91.2	Very high	6 Å²	6	45 Å²	45	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.1	170.1	-58	-169.3	0	0	0	109.3	V464 I466 F467 L505 V506 L518 L528 W531	V464-I539 HydrophobicContact CG2-CD1 4Å; I466-I539 WeakPolarHBondContact CA-O 2.86Å; I466-I539 HydrophobicContact CG1-CB 4.47Å; I466-I539 HydrophobicContact CG1-CG2 4.19Å; I466-I539 HydrophobicContact CG2-CG2 4.39Å; F467-I539 PolarHBondContact N-O 2.91Å; L505-I539 HydrophobicContact CB-CG2 4.04Å; L505-I539 HydrophobicContact CD2-CG2 4.36Å; V506-I539 WeakPolarHBondContact O-CA 3.39Å; L518-I539 HydrophobicContact CD1-CD1 4.29Å; L528-I539 HydrophobicContact CD2-CD1 4.03Å; W531-I539 HydrophobicContact CH2-CD1 4.13Å; W531-I539 HydrophobicContact CH2-CG1 3.78Å; W531-I539 HydrophobicContact CZ2-CG1 4.41Å
540	F	96.7	Very high	91.6	Very high	29 Å²	29	41.6 Å²	41.6	13%	0.127	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.6	178	-69.1	-99.2	0	0	0	111.3	F467 L505 V506 R508 L538 E542 I859	F467-F540 HydrophobicContact CB-CD1 3.6Å; F467-F540 HydrophobicContact CB-CE1 3.71Å; F467-F540 HydrophobicContact CB-CG 4.21Å; F467-F540 HydrophobicContact CB-CZ 4.4Å; F467-F540 HydrophobicContact CG-CE1 4.33Å; F467-F540 CarbonylContact O-C 3.49Å; F467-F540 WeakPolarHBondContact O-CA 3.49Å; L505-F540 CarbonylContact C-O 3.51Å; L505-F540 WeakPolarHBondContact CA-O 3.48Å; V506-F540 HydrophobicContact CB-CB 4.47Å; V506-F540 PolarHBondContact N-O 3.31Å; V506-F540 PolarHBondContact O-N 3.03Å; R508-F540 HydrophobicContact CB-CD2 4.41Å; R508-F540 HydrophobicContact CB-CE2 4.22Å; R508-F540 HydrophobicContact CG-CD2 3.87Å; R508-F540 HydrophobicContact CG-CE2 3.97Å; L538-F540 HydrophobicContact CB-CD2 4.18Å; L538-F540 HydrophobicContact CB-CE2 3.57Å; L538-F540 HydrophobicContact CB-CZ 4.38Å; L538-F540 HydrophobicContact CD1-CE2 3.83Å; L538-F540 HydrophobicContact CD1-CZ 3.95Å; L538-F540 HydrophobicContact CG-CE2 4.37Å; F540-E542 HydrophobicContact CB-CG 3.91Å; F540-I859 HydrophobicContact CZ-CD1 4.43Å
541	L	96.8	Very high	92.2	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.4	164.1	179.5	65.9	0	0	0	108.6	I466 F467 L468 P469 L488 L491 L505	I466-L541 HydrophobicContact CG2-CB 4.15Å; F467-L541 PolarHBondContact O-N 3.4Å; L468-L541 HydrophobicContact CD2-CD2 4.47Å; L468-L541 HydrophobicContact CG-CD2 4.42Å; P469-L541 WeakPolarHBondContact CD-O 3.46Å; P469-L541 WeakPolarHBondContact CG-O 3.47Å; L488-L541 HydrophobicContact CD1-CD1 3.35Å; L491-L541 HydrophobicContact CB-CD2 4.38Å; L491-L541 HydrophobicContact CD1-CD1 4.05Å; L491-L541 HydrophobicContact CD1-CD2 4.25Å; L505-L541 HydrophobicContact CD2-CD1 4.15Å
542	E	95.7	Very high	92.4	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.107	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	162.7	-177	-60.7	-167.7	156.1	0	0	112.3	H503 A504 V506 R508 F540 R544	H503-E542 CarbonylContact C-O 3.19Å; H503-E542 WeakPolarHBondContact CA-O 3.35Å; A504-E542 PolarHBondContact N-O 3.47Å; A504-E542 PolarHBondContact O-N 2.93Å; A504-E542 VanDerWaalsContact O-N 3.09Å; V506-E542 HydrophobicContact CG2-CB 4.1Å; V506-E542 HydrophobicContact CG2-CG 4.29Å; R508-E542 IonicContact CZ-OE1 3.84Å; R508-E542 IonicContact CZ-OE2 3.32Å; R508-E542 IonicContact NH1-OE1 3.22Å; R508-E542 PolarHBondContact NH1-OE1 3.46Å; R508-E542 IonicContact NH1-OE2 3.4Å; R508-E542 VanDerWaalsContact NH2-CD 3.25Å; R508-E542 IonicContact NH2-OE1 3.75Å; R508-E542 PolarHBondContact NH2-OE1 3.48Å; R508-E542 IonicContact NH2-OE2 3.5Å; R508-E542 PolarHBondContact NH2-OE2 3.37Å; F540-E542 HydrophobicContact CB-CG 3.91Å; E542-R544 HydrophobicContact CB-CG 4.04Å; E542-R544 IonicContact OE2-NH1 2.77Å; E542-R544 PolarHBondContact OE2-NH1 2.89Å
543	E	96	Very high	92.8	Very high	66 Å²	66	41 Å²	41	31%	0.308	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.6	162.1	-72.4	-159.5	148.1	0	0	110.5	T500 K502 K872	T500-E543 PolarHBondContact OG1-OE1 2.86Å; K502-E543 HydrophobicContact CB-CB 4.14Å; K502-E543 HydrophobicContact CB-CG 4.26Å; K502-E543 CarbonylContact O-C 3.57Å; K502-E543 WeakPolarHBondContact O-CA 3.43Å; E543-K872 IonicContact OE2-NZ 3.88Å; E543-K872 PolarHBondContact OE2-NZ 2.91Å
544	R	96.1	Very high	93.2	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.187	C	C	.	.			trans	-138	107.4	-163.3	-67.5	-56.2	-67.1	-140.6	0.9	110.8	K502 A504 V506 E515 E542 D546 L547	K502-R544 PolarHBondContact O-N 2.66Å; A504-R544 HydrophobicContact CB-CB 3.82Å; A504-R544 HydrophobicContact CB-CG 3.63Å; V506-R544 HydrophobicContact CG2-CG 3.73Å; E515-R544 IonicContact OE1-CZ 2.81Å; E515-R544 VanDerWaalsContact OE1-CZ 3.24Å; E515-R544 IonicContact OE1-NH1 2.75Å; E515-R544 PolarHBondContact OE1-NH1 3.36Å; E515-R544 IonicContact OE1-NH2 2.98Å; E515-R544 PolarHBondContact OE1-NH2 3.31Å; E515-R544 IonicContact OE2-NH1 2.82Å; E542-R544 HydrophobicContact CB-CG 4.04Å; E542-R544 IonicContact OE2-NH1 2.77Å; E542-R544 PolarHBondContact OE2-NH1 2.89Å; R544-D546 VanDerWaalsContact C-N 3.27Å; R544-D546 VanDerWaalsContact CB-OD1 3.27Å; R544-D546 WeakPolarHBondContact CB-OD1 3.47Å; R544-D546 IonicContact CZ-OD1 2.85Å; R544-D546 IonicContact CZ-OD2 2.89Å; R544-D546 IonicContact NE-OD1 2.81Å; R544-D546 PolarHBondContact NE-OD1 3.23Å; R544-D546 IonicContact NE-OD2 3.1Å; R544-D546 PolarHBondContact NE-OD2 3.22Å; R544-D546 IonicContact NH2-OD1 2.78Å; R544-D546 IonicContact NH2-OD2 3.62Å; R544-D546 PolarHBondContact NH2-OD2 2.59Å; R544-L547 HydrophobicContact CB-CB 4.4Å
545	Q	94.7	Very high	93.6	Very high	59 Å²	59	36.8 Å²	36.8	28%	0.276	18%	0.182	S	C	.	.	H	α-helix	trans	-70.7	-27.4	176.4	-55.7	-166.2	20.8	0	0	111.8	L547 G549 W557 W864 S868	Q545-L547 VanDerWaalsContact C-N 3.27Å; Q545-L547 PolarHBondContact O-N 3.09Å; Q545-G549 VanDerWaalsContact O-CA 3.27Å; Q545-G549 WeakPolarHBondContact O-CA 3.31Å; Q545-G549 PolarHBondContact O-N 2.85Å; Q545-W557 HydrophobicContact CB-CZ2 3.99Å; Q545-W557 WeakPolarHBondContact O-CZ2 3.35Å; Q545-W864 HydrophobicContact CB-CZ3 4.28Å; Q545-W864 HydrophobicContact CG-CZ3 4.49Å; Q545-S868 PolarHBondContact NE2-OG 3.08Å
546	D	94.7	Very high	93.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-67.4	-19.4	178.5	57.8	-41.3	0	0	0	114.2	C517 R544 W557 Y683 R687 W864	C517-D546 PolarHBondContact SG-OD2 3.36Å; R544-D546 VanDerWaalsContact C-N 3.27Å; R544-D546 VanDerWaalsContact CB-OD1 3.27Å; R544-D546 WeakPolarHBondContact CB-OD1 3.47Å; R544-D546 IonicContact CZ-OD1 2.85Å; R544-D546 IonicContact CZ-OD2 2.89Å; R544-D546 IonicContact NE-OD1 2.81Å; R544-D546 PolarHBondContact NE-OD1 3.23Å; R544-D546 IonicContact NE-OD2 3.1Å; R544-D546 PolarHBondContact NE-OD2 3.22Å; R544-D546 IonicContact NH2-OD1 2.78Å; R544-D546 IonicContact NH2-OD2 3.62Å; R544-D546 PolarHBondContact NH2-OD2 2.59Å; D546-W557 HydrophobicContact CB-CH2 3.98Å; D546-W557 HydrophobicContact CB-CZ3 4.4Å; D546-Y683 HydrophobicContact CB-CE1 3.95Å; D546-R687 PolarHBondContact O-NH1 2.86Å; D546-W864 HydrophobicContact CB-CH2 4.35Å; D546-W864 WeakPolarHBondContact OD1-CH2 3.38Å
547	L	96	Very high	94.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-55.3	177	-177.9	67.1	0	0	0	112.1	A504 C517 R544 Q545 R687	A504-L547 HydrophobicContact CB-CD2 4.01Å; C517-L547 HydrophobicContact CB-CD1 4Å; R544-L547 HydrophobicContact CB-CB 4.4Å; Q545-L547 VanDerWaalsContact C-N 3.27Å; Q545-L547 PolarHBondContact O-N 3.09Å; L547-R687 PolarHBondContact O-NH1 3.42Å; L547-R687 PolarHBondContact O-NH2 3.41Å
548	Y	95.9	Very high	94.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-130.3	2.8	-172.3	-69.1	-47.7	0	0	0	115.8	M501 D520 L550 F551 E552 N698 Y699 R702	M501-Y548 HydrophobicContact CE-CD2 4.21Å; D520-Y548 WeakPolarHBondContact OD2-CE2 3.34Å; D520-Y548 PolarHBondContact OD2-OH 3.24Å; Y548-L550 PolarHBondContact O-N 2.85Å; Y548-L550 VanDerWaalsContact O-N 3.09Å; Y548-F551 AromaticContact CD1-CD2 3.98Å; Y548-F551 HydrophobicContact CD1-CD2 3.98Å; Y548-F551 HydrophobicContact CD1-CE2 4.26Å; Y548-F551 PolarHBondContact O-N 2.96Å; Y548-E552 PolarHBondContact O-N 3.12Å; Y548-E552 VanDerWaalsContact O-N 3.08Å; Y548-N698 HydrophobicContact CE1-CB 4.46Å; Y548-N698 WeakPolarHBondContact OH-CB 3.39Å; Y548-N698 PolarHBondContact OH-O 3.01Å; Y548-Y699 AromaticContact CD1-CD2 3.83Å; Y548-Y699 HydrophobicContact CD1-CD2 3.83Å; Y548-Y699 HydrophobicContact CD1-CG 4.38Å; Y548-Y699 HydrophobicContact CE1-CD2 4.46Å; Y548-Y699 AromaticContact CG-CD2 3.87Å; Y548-Y699 HydrophobicContact CG-CD2 3.87Å; Y548-R702 HydrophobicContact CD2-CG 4.36Å; Y548-R702 HydrophobicContact CE2-CB 3.88Å; Y548-R702 HydrophobicContact CE2-CG 3.78Å
549	G	93.3	Very high	94	Very high	4 Å²	4	29.1 Å²	29.1	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-56.7	-28.2	179.6	0	0	0	0	0	114.6	Q545 F551 E552 S553	Q545-G549 VanDerWaalsContact O-CA 3.27Å; Q545-G549 WeakPolarHBondContact O-CA 3.31Å; Q545-G549 PolarHBondContact O-N 2.85Å; G549-F551 PolarHBondContact O-N 2.82Å; G549-E552 PolarHBondContact O-N 3Å; G549-S553 CarbonylContact O-C 3.55Å; G549-S553 WeakPolarHBondContact O-CA 3.37Å; G549-S553 PolarHBondContact O-N 2.88Å
550	L	93.4	Very high	93.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-21.9	174	76.5	94.3	0	0	0	113.9	Y548 S554 W557 L558 I688 L695	Y548-L550 PolarHBondContact O-N 2.85Å; Y548-L550 VanDerWaalsContact O-N 3.09Å; L550-S554 WeakPolarHBondContact O-CA 3.3Å; L550-S554 VanDerWaalsContact O-CB 3.3Å; L550-S554 WeakPolarHBondContact O-CB 3.21Å; L550-S554 PolarHBondContact O-OG 2.81Å; L550-W557 HydrophobicContact CB-CB 4.14Å; L550-W557 HydrophobicContact CB-CG 4.47Å; L550-L558 HydrophobicContact CB-CD1 4.4Å; L550-I688 HydrophobicContact CD1-CD1 4.3Å; L550-I688 HydrophobicContact CD1-CG1 4.48Å; L550-L695 HydrophobicContact CD2-CD2 4.2Å
551	F	92.4	Very high	93.2	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-98.4	-47.8	173.1	-62.5	-57.7	0	0	0	111.5	Y548 G549 S553 I567 F574 L695 Y696 Y699	Y548-F551 AromaticContact CD1-CD2 3.98Å; Y548-F551 HydrophobicContact CD1-CD2 3.98Å; Y548-F551 HydrophobicContact CD1-CE2 4.26Å; Y548-F551 PolarHBondContact O-N 2.96Å; G549-F551 PolarHBondContact O-N 2.82Å; F551-S553 PolarHBondContact O-N 3.34Å; F551-I567 HydrophobicContact CB-CD1 3.78Å; F551-I567 HydrophobicContact CD1-CD1 3.62Å; F551-I567 HydrophobicContact CD1-CG1 4Å; F551-I567 HydrophobicContact CE1-CD1 4.44Å; F551-I567 HydrophobicContact CG-CD1 3.92Å; F551-F574 HydrophobicContact CE1-CE1 4.15Å; F551-F574 AromaticContact CE1-CZ 3.93Å; F551-F574 HydrophobicContact CE1-CZ 3.93Å; F551-L695 HydrophobicContact CE2-CD1 4.37Å; F551-L695 HydrophobicContact CE2-CG 3.97Å; F551-L695 WeakPolarHBondContact CE2-O 3.28Å; F551-L695 HydrophobicContact CZ-CG 4.05Å; F551-Y696 HydrophobicContact CE1-CD2 4.04Å; F551-Y696 HydrophobicContact CZ-CD2 4.39Å; F551-Y699 HydrophobicContact CB-CD1 4.34Å; F551-Y699 HydrophobicContact CB-CD2 3.65Å; F551-Y699 HydrophobicContact CB-CE1 4.27Å; F551-Y699 HydrophobicContact CB-CE2 3.51Å; F551-Y699 HydrophobicContact CB-CG 4.06Å; F551-Y699 HydrophobicContact CD2-CD1 4.31Å; F551-Y699 AromaticContact CD2-CD2 3.5Å; F551-Y699 HydrophobicContact CD2-CD2 3.5Å; F551-Y699 HydrophobicContact CD2-CE2 4.29Å; F551-Y699 AromaticContact CD2-CG 3.51Å; F551-Y699 HydrophobicContact CD2-CG 3.51Å; F551-Y699 HydrophobicContact CE2-CD2 4.42Å; F551-Y699 HydrophobicContact CE2-CG 4.07Å; F551-Y699 HydrophobicContact CG-CD1 4.31Å; F551-Y699 AromaticContact CG-CD2 3.89Å; F551-Y699 HydrophobicContact CG-CD2 3.89Å; F551-Y699 HydrophobicContact CG-CE2 4.26Å; F551-Y699 AromaticContact CG-CG 3.9Å; F551-Y699 HydrophobicContact CG-CG 3.9Å
552	E	90.9	Very high	92.6	Very high	75 Å²	75	35.8 Å²	35.8	35%	0.35	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-30.6	179.1	-63.4	-170.5	148.8	0	0	113	M501 Y548 G549 Y699	M501-E552 WeakPolarHBondContact CB-OE1 3.4Å; Y548-E552 PolarHBondContact O-N 3.12Å; Y548-E552 VanDerWaalsContact O-N 3.08Å; G549-E552 PolarHBondContact O-N 3Å; E552-Y699 HydrophobicContact CG-CE2 4.46Å
553	S	91.4	Very high	91.8	Very high	63 Å²	63	38 Å²	38	44%	0.441	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-149.5	51.9	-174.5	-71.1	0	0	0	0	111.3	G549 F551 K555 S556 W557	G549-S553 CarbonylContact O-C 3.55Å; G549-S553 WeakPolarHBondContact O-CA 3.37Å; G549-S553 PolarHBondContact O-N 2.88Å; F551-S553 PolarHBondContact O-N 3.34Å; S553-K555 PolarHBondContact O-N 2.82Å; S553-S556 WeakPolarHBondContact CB-OG 3.27Å; S553-S556 PolarHBondContact O-N 3.12Å; S553-S556 PolarHBondContact O-OG 3.04Å; S553-S556 VanDerWaalsContact O-OG 3.05Å; S553-W557 PolarHBondContact O-N 2.89Å
554	S	91.3	Very high	91	Very high	11 Å²	11	36.5 Å²	36.5	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-43.1	-38.6	-176.5	-166.4	0	0	0	0	114.6	L550 S556 W557 L558	L550-S554 WeakPolarHBondContact O-CA 3.3Å; L550-S554 VanDerWaalsContact O-CB 3.3Å; L550-S554 WeakPolarHBondContact O-CB 3.21Å; L550-S554 PolarHBondContact O-OG 2.81Å; S554-S556 PolarHBondContact O-N 3.3Å; S554-W557 PolarHBondContact O-N 2.82Å; S554-L558 WeakPolarHBondContact O-CB 3.48Å; S554-L558 PolarHBondContact O-N 3.45Å; S554-L558 WeakPolarHBondContact OG-CD1 3.31Å
555	K	91.6	Very high	90.2	Very high	158 Å²	158	36.5 Å²	36.5	69%	0.687	20%	0.197	S	C	*	.	H	α-helix	trans	-62.1	-36.8	177.2	-169.9	177.5	176.5	-176.2	0	114.4	S553 G559 H562	S553-K555 PolarHBondContact O-N 2.82Å; K555-G559 WeakPolarHBondContact O-CA 3.45Å; K555-G559 PolarHBondContact O-N 2.85Å; K555-H562 HydrophobicContact CB-CB 4.3Å
556	S	93	Very high	89.4	Confident	59 Å²	59	36.3 Å²	36.3	41%	0.413	20%	0.198	S	C	.	.	H	α-helix	trans	-88	-6.1	-179	65.1	0	0	0	0	114.2	S553 S554 R680	S553-S556 WeakPolarHBondContact CB-OG 3.27Å; S553-S556 PolarHBondContact O-N 3.12Å; S553-S556 PolarHBondContact O-OG 3.04Å; S553-S556 VanDerWaalsContact O-OG 3.05Å; S554-S556 PolarHBondContact O-N 3.3Å; S556-R680 WeakPolarHBondContact O-CD 3.37Å; S556-R680 PolarHBondContact O-NH1 3.23Å
557	W	94.7	Very high	88.4	Confident	11 Å²	11	37 Å²	37	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-109.8	-32.6	177.9	-77.1	83.1	0	0	0	113.6	Q545 D546 L550 S553 S554 W679 R680 K681 Y683	Q545-W557 HydrophobicContact CB-CZ2 3.99Å; Q545-W557 WeakPolarHBondContact O-CZ2 3.35Å; D546-W557 HydrophobicContact CB-CH2 3.98Å; D546-W557 HydrophobicContact CB-CZ3 4.4Å; L550-W557 HydrophobicContact CB-CB 4.14Å; L550-W557 HydrophobicContact CB-CG 4.47Å; S553-W557 PolarHBondContact O-N 2.89Å; S554-W557 PolarHBondContact O-N 2.82Å; W557-W679 HydrophobicContact CH2-CZ3 4.27Å; W557-W679 HydrophobicContact CZ3-CZ3 4.1Å; W557-R680 HydrophobicContact CD2-CB 4.36Å; W557-R680 HydrophobicContact CD2-CG 4.34Å; W557-R680 HydrophobicContact CE3-CB 3.83Å; W557-R680 HydrophobicContact CE3-CG 3.91Å; W557-R680 HydrophobicContact CH2-CG 4.35Å; W557-R680 HydrophobicContact CZ3-CB 4.23Å; W557-R680 HydrophobicContact CZ3-CG 3.92Å; W557-R680 CarbonylContact O-C 3.55Å; W557-K681 VanDerWaalsContact O-CA 3.29Å; W557-K681 WeakPolarHBondContact O-CA 3.49Å; W557-K681 PolarHBondContact O-N 3.41Å; W557-Y683 HydrophobicContact CZ3-CD1 4.5Å
558	L	93.3	Very high	87.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-115.4	-7.2	-175.3	-69.8	150.2	0	0	0	113.3	L550 S554 E560 H561 H562 F565 L685 I688	L550-L558 HydrophobicContact CB-CD1 4.4Å; S554-L558 WeakPolarHBondContact O-CB 3.48Å; S554-L558 PolarHBondContact O-N 3.45Å; S554-L558 WeakPolarHBondContact OG-CD1 3.31Å; L558-E560 PolarHBondContact O-N 3.07Å; L558-H561 HydrophobicContact CB-CB 4.28Å; L558-H561 WeakPolarHBondContact O-CB 3.46Å; L558-H561 PolarHBondContact O-N 2.98Å; L558-H562 HydrophobicContact CB-CB 4.44Å; L558-F565 HydrophobicContact CD1-CB 3.91Å; L558-F565 HydrophobicContact CD1-CD2 3.78Å; L558-F565 HydrophobicContact CD1-CG 4.21Å; L558-F565 HydrophobicContact CD2-CD2 3.96Å; L558-F565 HydrophobicContact CD2-CE2 4.18Å; L558-F565 HydrophobicContact CG-CD2 4.42Å; L558-L685 HydrophobicContact CD2-CD2 3.66Å; L558-L685 HydrophobicContact CD2-CG 3.89Å; L558-I688 HydrophobicContact CD2-CD1 4.27Å
559	G	91	Very high	86.1	Confident	16 Å²	16	47.2 Å²	47.2	17%	0.165	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	53.9	-120.6	178	0	0	0	0	0	112.3	K555 H561 H562	K555-G559 WeakPolarHBondContact O-CA 3.45Å; K555-G559 PolarHBondContact O-N 2.85Å; G559-H561 PolarHBondContact O-N 2.97Å; G559-H562 WeakPolarHBondContact O-CB 3.39Å; G559-H562 PolarHBondContact O-N 2.97Å; G559-H562 PolarHBondContact O-ND1 3.28Å
560	E	89.7	Confident	84.9	Confident	102 Å²	102	48.7 Å²	48.7	48%	0.477	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-56.9	-28.4	176.6	66.8	-76	178.7	0	0	114.1	L558 H562 H585 K681	L558-E560 PolarHBondContact O-N 3.07Å; E560-H562 VanDerWaalsContact C-N 3.35Å; E560-H562 PolarHBondContact O-N 3.03Å; E560-H585 IonicContact OE1-CE1 2.71Å; E560-H585 IonicContact OE1-ND1 3.05Å; E560-K681 IonicContact OE1-NZ 3.64Å; E560-K681 WeakPolarHBondContact OE2-CE 3.44Å; E560-K681 IonicContact OE2-NZ 3.58Å; E560-K681 PolarHBondContact OE2-NZ 2.82Å
561	H	86.6	Confident	83.6	Confident	21 Å²	21	53.6 Å²	53.6	10%	0.097	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-84.3	-2.9	-177.6	-56.2	-69	0	0	0	114.3	L558 G559 S563 T564 P583 V584 H585	L558-H561 HydrophobicContact CB-CB 4.28Å; L558-H561 WeakPolarHBondContact O-CB 3.46Å; L558-H561 PolarHBondContact O-N 2.98Å; G559-H561 PolarHBondContact O-N 2.97Å; H561-S563 PolarHBondContact O-N 3.37Å; H561-T564 WeakPolarHBondContact O-CB 3.41Å; H561-T564 PolarHBondContact O-N 2.83Å; H561-T564 VanDerWaalsContact O-N 3.11Å; H561-P583 HydrophobicContact CB-CG 3.9Å; H561-V584 PolarHBondContact CE1-O 3.33Å; H561-H585 AromaticContact CD2-ND1 3.74Å; H561-H585 AromaticContact NE2-CG 3.94Å; H561-H585 AromaticContact NE2-ND1 3.2Å; H561-H585 PolarHBondContact NE2-ND1 2.91Å; H561-H585 VanDerWaalsContact NE2-ND1 3.2Å
562	H	83.1	Confident	82.2	Confident	59 Å²	59	57.8 Å²	57.8	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-31.4	-176.6	76.9	-75.3	0	0	0	113.7	K555 L558 G559 E560 T564 F565 N566	K555-H562 HydrophobicContact CB-CB 4.3Å; L558-H562 HydrophobicContact CB-CB 4.44Å; G559-H562 WeakPolarHBondContact O-CB 3.39Å; G559-H562 PolarHBondContact O-N 2.97Å; G559-H562 PolarHBondContact O-ND1 3.28Å; E560-H562 VanDerWaalsContact C-N 3.35Å; E560-H562 PolarHBondContact O-N 3.03Å; H562-T564 PolarHBondContact O-N 2.88Å; H562-F565 PolarHBondContact O-N 2.9Å; H562-F565 VanDerWaalsContact O-N 3.13Å; H562-N566 WeakPolarHBondContact O-CB 3.48Å; H562-N566 PolarHBondContact O-N 2.82Å
563	S	79.7	Confident	81.1	Confident	70 Å²	70	56 Å²	56	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-21.4	179.8	58.4	0	0	0	0	113.1	H561 N570	H561-S563 PolarHBondContact O-N 3.37Å; S563-N570 PolarHBondContact O-ND2 3.12Å
564	T	78.8	Confident	80	Confident	35 Å²	35	53.1 Å²	53.1	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-77.7	-33.7	173.7	-51.6	0	0	0	0	112.1	H561 H562 N570 P583	H561-T564 WeakPolarHBondContact O-CB 3.41Å; H561-T564 PolarHBondContact O-N 2.83Å; H561-T564 VanDerWaalsContact O-N 3.11Å; H562-T564 PolarHBondContact O-N 2.88Å; T564-N570 VanDerWaalsContact C-ND2 3.29Å; T564-N570 WeakPolarHBondContact CA-ND2 3.38Å; T564-N570 PolarHBondContact O-ND2 2.8Å; T564-P583 HydrophobicContact CG2-CG 4.5Å
565	F	78.5	Confident	78.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-113	-1.9	-169	-61.3	-60.6	0	0	0	115.1	L558 H562 I567 F574 I580 P583 L685 I688	L558-F565 HydrophobicContact CD1-CB 3.91Å; L558-F565 HydrophobicContact CD1-CD2 3.78Å; L558-F565 HydrophobicContact CD1-CG 4.21Å; L558-F565 HydrophobicContact CD2-CD2 3.96Å; L558-F565 HydrophobicContact CD2-CE2 4.18Å; L558-F565 HydrophobicContact CG-CD2 4.42Å; H562-F565 PolarHBondContact O-N 2.9Å; H562-F565 VanDerWaalsContact O-N 3.13Å; F565-I567 PolarHBondContact O-N 3.08Å; F565-F574 HydrophobicContact CB-CZ 4.24Å; F565-F574 HydrophobicContact CD1-CE1 4.21Å; F565-F574 AromaticContact CD1-CZ 3.79Å; F565-F574 HydrophobicContact CD1-CZ 3.79Å; F565-I580 HydrophobicContact CE1-CG2 3.67Å; F565-I580 HydrophobicContact CZ-CG2 4.49Å; F565-P583 VanDerWaalsContact CE2-CD 3.47Å; F565-P583 HydrophobicContact CE2-CG 3.63Å; F565-P583 HydrophobicContact CZ-CG 4.02Å; F565-L685 HydrophobicContact CE2-CD2 3.75Å; F565-L685 HydrophobicContact CZ-CD2 4.36Å; F565-I688 HydrophobicContact CD1-CD1 4.27Å; F565-I688 HydrophobicContact CD2-CD1 4.1Å; F565-I688 HydrophobicContact CE1-CD1 4.13Å; F565-I688 HydrophobicContact CE1-CG2 4.04Å; F565-I688 HydrophobicContact CE2-CD1 3.92Å; F565-I688 HydrophobicContact CG-CD1 4.24Å; F565-I688 HydrophobicContact CZ-CD1 3.92Å; F565-I688 HydrophobicContact CZ-CG2 4.09Å
566	N	77.9	Confident	77.5	Confident	55 Å²	55	60.2 Å²	60.2	29%	0.294	31%	0.308	S	S	.	.			trans	-58.2	111.4	174.9	-178.9	-5.7	0	0	0	110.9	H562 N568 S569 N570	H562-N566 WeakPolarHBondContact O-CB 3.48Å; H562-N566 PolarHBondContact O-N 2.82Å; N566-N568 PolarHBondContact O-N 3.39Å; N566-N568 PolarHBondContact OD1-N 2.88Å; N566-S569 PolarHBondContact O-N 3.16Å; N566-S569 PolarHBondContact O-OG 2.83Å; N566-N570 WeakPolarHBondContact O-CB 3.38Å; N566-N570 PolarHBondContact O-N 2.85Å
567	I	74.4	Confident	76.1	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.092	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-33.6	-178.3	-61.2	-175.2	0	0	0	111.5	F551 F565 S569 K571 Y696 Y699	F551-I567 HydrophobicContact CB-CD1 3.78Å; F551-I567 HydrophobicContact CD1-CD1 3.62Å; F551-I567 HydrophobicContact CD1-CG1 4Å; F551-I567 HydrophobicContact CE1-CD1 4.44Å; F551-I567 HydrophobicContact CG-CD1 3.92Å; F565-I567 PolarHBondContact O-N 3.08Å; I567-S569 PolarHBondContact O-N 3.38Å; I567-K571 HydrophobicContact CG2-CG 4.47Å; I567-K571 WeakPolarHBondContact O-CG 3.42Å; I567-Y696 HydrophobicContact CD1-CD2 4.21Å; I567-Y696 HydrophobicContact CD1-CE2 3.83Å; I567-Y696 HydrophobicContact CG1-CD2 4.43Å; I567-Y696 HydrophobicContact CG1-CE2 3.92Å; I567-Y696 HydrophobicContact CG2-CE2 4.13Å; I567-Y699 HydrophobicContact CD1-CD1 3.6Å; I567-Y699 HydrophobicContact CD1-CE1 3.27Å
568	N	72.7	Confident	74.7	Confident	140 Å²	140	68 Å²	68	75%	0.749	34%	0.34	S	S	*	.	H	α-helix	trans	-70.8	-31.1	-174.3	-68.1	-22.1	0	0	0	112.9	N566	N566-N568 PolarHBondContact O-N 3.39Å; N566-N568 PolarHBondContact OD1-N 2.88Å
569	S	69.9	Low	73.7	Confident	76 Å²	76	74.8 Å²	74.8	53%	0.531	38%	0.376	S	S	.	.	H	α-helix	trans	-97.2	-36	176.2	59.2	0	0	0	0	113.2	N566 I567	N566-S569 PolarHBondContact O-N 3.16Å; N566-S569 PolarHBondContact O-OG 2.83Å; I567-S569 PolarHBondContact O-N 3.38Å
570	N	68.3	Low	73.2	Confident	35 Å²	35	74.7 Å²	74.7	19%	0.187	37%	0.372	C	S	.	.	H	α-helix	trans	-113.3	23.7	-161.1	-66.9	19.6	0	0	0	114.7	S563 T564 N566 N572 I573	S563-N570 PolarHBondContact O-ND2 3.12Å; T564-N570 VanDerWaalsContact C-ND2 3.29Å; T564-N570 WeakPolarHBondContact CA-ND2 3.38Å; T564-N570 PolarHBondContact O-ND2 2.8Å; N566-N570 WeakPolarHBondContact O-CB 3.38Å; N566-N570 PolarHBondContact O-N 2.85Å; N570-N572 PolarHBondContact O-N 3.17Å; N570-I573 HydrophobicContact CB-CD1 3.93Å; N570-I573 HydrophobicContact CB-CG1 4.16Å; N570-I573 WeakPolarHBondContact ND2-CD1 3.45Å; N570-I573 WeakPolarHBondContact O-CB 3.49Å; N570-I573 PolarHBondContact O-N 2.96Å
571	K	67.2	Low	72.8	Confident	105 Å²	105	72.5 Å²	72.5	46%	0.457	37%	0.367	S	S	.	.	H	α-helix	trans	-39.5	-46.7	175.8	-63.8	-165.2	180	-178.2	0	113.1	I567 I573 F574 Y575	I567-K571 HydrophobicContact CG2-CG 4.47Å; I567-K571 WeakPolarHBondContact O-CG 3.42Å; K571-I573 PolarHBondContact O-N 3.06Å; K571-F574 PolarHBondContact O-N 3.12Å; K571-Y575 HydrophobicContact CB-CD2 3.96Å; K571-Y575 HydrophobicContact CB-CE2 3.91Å; K571-Y575 WeakPolarHBondContact O-CD2 3.17Å; K571-Y575 PolarHBondContact O-N 3.41Å; K571-Y575 VanDerWaalsContact O-N 3.08Å
572	N	63.4	Low	72.8	Confident	104 Å²	104	72.6 Å²	72.6	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-56.2	-31.1	-178.8	-73.8	-33	0	0	0	114.7	N570 Y575 R576	N570-N572 PolarHBondContact O-N 3.17Å; N572-Y575 PolarHBondContact O-N 3.2Å; N572-R576 WeakPolarHBondContact O-CB 3.43Å; N572-R576 PolarHBondContact O-N 3.45Å
573	I	67	Low	73.1	Confident	39 Å²	39	70.8 Å²	70.8	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-44.8	-179.6	-61.9	-172.2	0	0	0	110.4	N570 K571 N577 P581	N570-I573 HydrophobicContact CB-CD1 3.93Å; N570-I573 HydrophobicContact CB-CG1 4.16Å; N570-I573 WeakPolarHBondContact ND2-CD1 3.45Å; N570-I573 WeakPolarHBondContact O-CB 3.49Å; N570-I573 PolarHBondContact O-N 2.96Å; K571-I573 PolarHBondContact O-N 3.06Å; I573-N577 WeakPolarHBondContact O-CB 3.37Å; I573-N577 PolarHBondContact O-N 3Å; I573-P581 HydrophobicContact CG2-CG 3.73Å
574	F	68.6	Low	73.6	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.009	36%	0.364	C	S	.	.	H	α-helix	trans	-77	-32.6	177.8	-58.7	-78.1	0	0	0	112.8	F551 F565 K571 I580 K693 Y696	F551-F574 HydrophobicContact CE1-CE1 4.15Å; F551-F574 AromaticContact CE1-CZ 3.93Å; F551-F574 HydrophobicContact CE1-CZ 3.93Å; F565-F574 HydrophobicContact CB-CZ 4.24Å; F565-F574 HydrophobicContact CD1-CE1 4.21Å; F565-F574 AromaticContact CD1-CZ 3.79Å; F565-F574 HydrophobicContact CD1-CZ 3.79Å; K571-F574 PolarHBondContact O-N 3.12Å; F574-I580 HydrophobicContact CD1-CD1 3.77Å; F574-I580 HydrophobicContact CD1-CG1 4.39Å; F574-I580 HydrophobicContact CE1-CD1 3.92Å; F574-K693 WeakPolarHBondContact O-CD 3.44Å; F574-K693 WeakPolarHBondContact O-CE 3.43Å; F574-Y696 HydrophobicContact CB-CD1 3.45Å; F574-Y696 VanDerWaalsContact CB-CD1 3.45Å; F574-Y696 HydrophobicContact CB-CD2 3.87Å; F574-Y696 HydrophobicContact CB-CE1 3.73Å; F574-Y696 HydrophobicContact CB-CE2 4.12Å; F574-Y696 HydrophobicContact CB-CG 3.51Å; F574-Y696 AromaticContact CD1-CD2 3.87Å; F574-Y696 HydrophobicContact CD1-CD2 3.87Å; F574-Y696 AromaticContact CD1-CG 3.73Å; F574-Y696 HydrophobicContact CD1-CG 3.73Å; F574-Y696 AromaticContact CD2-CD2 3.59Å; F574-Y696 HydrophobicContact CD2-CD2 3.59Å; F574-Y696 AromaticContact CD2-CE2 3.71Å; F574-Y696 HydrophobicContact CD2-CE2 3.71Å; F574-Y696 HydrophobicContact CD2-CG 4.12Å; F574-Y696 HydrophobicContact CE1-CD2 4.24Å; F574-Y696 HydrophobicContact CE1-CG 4.42Å; F574-Y696 AromaticContact CE2-CD2 3.99Å; F574-Y696 HydrophobicContact CE2-CD2 3.99Å; F574-Y696 HydrophobicContact CE2-CE2 4.25Å; F574-Y696 HydrophobicContact CG-CD1 4.03Å; F574-Y696 AromaticContact CG-CD2 3.51Å; F574-Y696 HydrophobicContact CG-CD2 3.51Å; F574-Y696 HydrophobicContact CG-CE1 4.44Å; F574-Y696 AromaticContact CG-CE2 3.97Å; F574-Y696 HydrophobicContact CG-CE2 3.97Å; F574-Y696 AromaticContact CG-CG 3.54Å; F574-Y696 HydrophobicContact CG-CG 3.54Å; F574-Y696 HydrophobicContact CZ-CD2 4.29Å
575	Y	65.8	Low	74.4	Confident	121 Å²	121	70.5 Å²	70.5	48%	0.475	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-47.7	179.4	-73.9	-62	0	0	0	113.5	K571 N572 K693 Y696	K571-Y575 HydrophobicContact CB-CD2 3.96Å; K571-Y575 HydrophobicContact CB-CE2 3.91Å; K571-Y575 WeakPolarHBondContact O-CD2 3.17Å; K571-Y575 PolarHBondContact O-N 3.41Å; K571-Y575 VanDerWaalsContact O-N 3.08Å; N572-Y575 PolarHBondContact O-N 3.2Å; Y575-K693 PolarHBondContact O-NZ 3.12Å; Y575-Y696 HydrophobicContact CE1-CE1 4.04Å; Y575-Y696 HydrophobicContact CE2-CE1 4.19Å; Y575-Y696 WeakPolarHBondContact CE2-OH 3.41Å; Y575-Y696 AromaticContact CZ-CE1 3.8Å; Y575-Y696 PolarHBondContact OH-OH 2.85Å; Y575-Y696 VanDerWaalsContact OH-OH 3.13Å
576	R	63.5	Low	75.1	Confident	196 Å²	196	72.9 Å²	72.9	74%	0.74	37%	0.371	S	S	*	.	H	α-helix	trans	-83.8	-39.6	-172.2	-67.2	-169.8	-180	-164.7	-0.7	114.2	N572	N572-R576 WeakPolarHBondContact O-CB 3.43Å; N572-R576 PolarHBondContact O-N 3.45Å
577	N	63.4	Low	76	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.374	37%	0.368	S	S	.	.			trans	-92.3	128.2	-169	-58.1	0.8	0	0	0	110.4	I573 N579	I573-N577 WeakPolarHBondContact O-CB 3.37Å; I573-N577 PolarHBondContact O-N 3Å; N577-N579 WeakPolarHBondContact CB-O 3.4Å
578	E	66.8	Low	76.9	Confident	164 Å²	164	73.2 Å²	73.2	77%	0.766	37%	0.371	S	S	*	.	S	Bend	trans	-67.1	-47.1	168.9	-59	-169.8	146	0	0	110.5
579	N	70.8	Confident	78.1	Confident	142 Å²	142	66.6 Å²	66.6	76%	0.759	34%	0.336	S	S	*	.	S	Bend	trans	-88.9	107.6	172.3	-65	-40.5	0	0	0	109.7	N577	N577-N579 WeakPolarHBondContact CB-O 3.4Å
580	I	80.3	Confident	79.3	Confident	14 Å²	14	65.6 Å²	65.6	7%	0.072	32%	0.321	C	S	.	.			trans	-62.2	128.7	172.5	-63.3	177.9	0	0	0	108.9	F565 F574 I582 I688 G692	F565-I580 HydrophobicContact CE1-CG2 3.67Å; F565-I580 HydrophobicContact CZ-CG2 4.49Å; F574-I580 HydrophobicContact CD1-CD1 3.77Å; F574-I580 HydrophobicContact CD1-CG1 4.39Å; F574-I580 HydrophobicContact CE1-CD1 3.92Å; I580-I582 PolarHBondContact O-N 3.31Å; I580-I688 HydrophobicContact CD1-CG2 4.24Å; I580-I688 HydrophobicContact CG2-CG2 4.05Å; I580-G692 VanDerWaalsContact CD1-C 3.5Å
581	P	81.4	Confident	80.6	Confident	57 Å²	57	64.4 Å²	64.4	37%	0.37	31%	0.314	S	S	.	.			trans	-69.1	104.1	173.1	28.7	-33.3	0	0	0	110.1	I573	I573-P581 HydrophobicContact CG2-CG 3.73Å
582	I	86.5	Confident	81.8	Confident	22 Å²	22	62.1 Å²	62.1	11%	0.113	30%	0.303	C	S	.	.			trans	-76.3	120.8	177.1	-63.7	140.8	0	0	0	108.8	I580 L605 T689	I580-I582 PolarHBondContact O-N 3.31Å; I582-L605 HydrophobicContact CG2-CD2 4.38Å; I582-L605 HydrophobicContact CG2-CG 4.07Å; I582-T689 HydrophobicContact CD1-CG2 3.56Å; I582-T689 WeakPolarHBondContact CD1-OG1 3.13Å
583	P	89.3	Confident	83	Confident	21 Å²	21	59.8 Å²	59.8	14%	0.136	29%	0.29	C	S	.	.			trans	-68.9	150	178	30.8	-34.4	0	0	0	110.2	H561 T564 F565 H585 L685	H561-P583 HydrophobicContact CB-CG 3.9Å; T564-P583 HydrophobicContact CG2-CG 4.5Å; F565-P583 VanDerWaalsContact CE2-CD 3.47Å; F565-P583 HydrophobicContact CE2-CG 3.63Å; F565-P583 HydrophobicContact CZ-CG 4.02Å; P583-H585 PolarHBondContact O-N 3.02Å; P583-H585 VanDerWaalsContact O-N 3.16Å; P583-L685 HydrophobicContact CG-CD2 4.08Å
584	V	91.4	Very high	83.9	Confident	91 Å²	91	58.3 Å²	58.3	55%	0.552	28%	0.284	S	S	*	.			trans	-72.9	111.2	-176.7	179.9	0	0	0	0	109.8	H561 H604 L605 N606	H561-V584 PolarHBondContact CE1-O 3.33Å; V584-H604 WeakPolarHBondContact CG1-CE1 3.43Å; V584-L605 WeakPolarHBondContact CA-O 3.11Å; V584-N606 HydrophobicContact CG2-CB 4.1Å
585	H	94.9	Very high	84.4	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.7	175.1	-174.5	71.9	0	0	0	110.6	E560 H561 P583 H604 L605 W682 L685	E560-H585 IonicContact OE1-CE1 2.71Å; E560-H585 IonicContact OE1-ND1 3.05Å; H561-H585 AromaticContact CD2-ND1 3.74Å; H561-H585 AromaticContact NE2-CG 3.94Å; H561-H585 AromaticContact NE2-ND1 3.2Å; H561-H585 PolarHBondContact NE2-ND1 2.91Å; H561-H585 VanDerWaalsContact NE2-ND1 3.2Å; P583-H585 PolarHBondContact O-N 3.02Å; P583-H585 VanDerWaalsContact O-N 3.16Å; H585-H604 WeakPolarHBondContact O-CA 3.35Å; H585-L605 PolarHBondContact N-O 3.25Å; H585-L605 PolarHBondContact O-N 3.11Å; H585-W682 AromaticContact CD2-CD2 3.91Å; H585-W682 AromaticContact CD2-CE2 3.58Å; H585-W682 AromaticContact CD2-CH2 3.82Å; H585-W682 AromaticContact CD2-CZ2 3.55Å; H585-W682 AromaticContact NE2-CE2 3.63Å; H585-W682 AromaticContact NE2-CZ2 3.89Å; H585-W682 AromaticContact NE2-NE1 3.62Å; H585-L685 HydrophobicContact CB-CD1 3.46Å; H585-L685 VanDerWaalsContact CB-CD1 3.46Å
586	T	94.6	Very high	85.4	Confident	51 Å²	51	64.5 Å²	64.5	31%	0.313	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	119.3	-176.8	-59.5	0	0	0	0	110.6	C603 H604 M618	T586-C603 VanDerWaalsContact CA-O 3.31Å; T586-C603 WeakPolarHBondContact CA-O 3.42Å; T586-H604 HydrophobicContact CG2-CB 4.41Å; T586-H604 PolarHBondContact OG1-ND1 3.41Å; T586-M618 HydrophobicContact CG2-CE 3.69Å; T586-M618 HydrophobicContact CG2-SD 3.5Å; T586-M618 VanDerWaalsContact CG2-SD 3.5Å
587	D	94.9	Very high	86.6	Confident	46 Å²	46	64 Å²	64	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	173.5	-175.2	-175.5	25.1	0	0	0	109.7	C603 S678 W682	D587-C603 PolarHBondContact N-O 3.47Å; D587-C603 VanDerWaalsContact N-O 3.15Å; D587-C603 PolarHBondContact O-N 3.24Å; D587-S678 WeakPolarHBondContact OD2-CB 3.41Å; D587-S678 PolarHBondContact OD2-OG 2.78Å; D587-W682 HydrophobicContact CB-CZ2 4Å
588	Q	95.1	Very high	88.1	Confident	34 Å²	34	63.3 Å²	63.3	16%	0.159	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	177.3	-69.3	-174.5	-14.9	0	0	112.7	R600 R601 Y602 I674	Q588-R600 VanDerWaalsContact OE1-CZ 3.23Å; Q588-R601 CarbonylContact C-O 3.56Å; Q588-R601 VanDerWaalsContact CA-O 3.27Å; Q588-R601 WeakPolarHBondContact CA-O 3.2Å; Q588-Y602 HydrophobicContact CG-CD1 3.59Å; Q588-Y602 HydrophobicContact CG-CD2 4.04Å; Q588-Y602 HydrophobicContact CG-CE1 3.49Å; Q588-Y602 VanDerWaalsContact CG-CE1 3.49Å; Q588-Y602 HydrophobicContact CG-CE2 3.96Å; Q588-Y602 HydrophobicContact CG-CG 3.89Å; Q588-Y602 PolarHBondContact NE2-OH 3.21Å; Q588-I674 HydrophobicContact CB-CD1 3.68Å; Q588-I674 WeakPolarHBondContact O-CD1 3.1Å
589	L	96.4	Very high	89.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.2	169.1	-65.1	176.9	0	0	0	110.4	L591 R600 R601 C603 F610 M671 A673 W682	L589-L591 HydrophobicContact CB-CD2 3.97Å; L589-L591 HydrophobicContact CB-CG 4.37Å; L589-L591 HydrophobicContact CD1-CD2 4.38Å; L589-R600 CarbonylContact O-C 3.56Å; L589-R600 WeakPolarHBondContact O-CA 3.18Å; L589-R601 PolarHBondContact N-O 2.73Å; L589-R601 PolarHBondContact O-N 2.89Å; L589-R601 VanDerWaalsContact O-O 3.14Å; L589-C603 HydrophobicContact CD1-CB 4.1Å; L589-C603 HydrophobicContact CG-CB 4.38Å; L589-F610 HydrophobicContact CD1-CE2 4.47Å; L589-F610 HydrophobicContact CD1-CZ 4.18Å; L589-M671 HydrophobicContact CD1-CB 4.44Å; L589-M671 HydrophobicContact CD1-SD 4.34Å; L589-A673 HydrophobicContact CD2-CB 3.83Å; L589-W682 HydrophobicContact CD1-CD2 3.96Å; L589-W682 HydrophobicContact CD1-CE3 4.39Å; L589-W682 HydrophobicContact CD1-CG 4.25Å; L589-W682 HydrophobicContact CD1-CZ2 4.33Å; L589-W682 HydrophobicContact CD2-CG 4.19Å; L589-W682 HydrophobicContact CG-CD2 4.48Å; L589-W682 HydrophobicContact CG-CZ2 4.45Å
590	Y	95.7	Very high	90.5	Very high	56 Å²	56	58.6 Å²	58.6	22%	0.22	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.5	158.5	-65.5	-102.3	0	0	0	107.9	R600 P648 T649 M671 C672 I674	Y590-R600 HydrophobicContact CD1-CB 3.97Å; Y590-R600 HydrophobicContact CE1-CB 3.96Å; Y590-R600 HydrophobicContact CE1-CG 4.37Å; Y590-R600 HydrophobicContact CE2-CG 4.32Å; Y590-R600 HydrophobicContact CG-CB 4.39Å; Y590-R600 PolarHBondContact OH-NH1 3.08Å; Y590-P648 HydrophobicContact CD1-CB 3.61Å; Y590-P648 HydrophobicContact CD1-CG 3.8Å; Y590-P648 HydrophobicContact CD2-CB 4.32Å; Y590-P648 HydrophobicContact CE1-CB 3.95Å; Y590-P648 HydrophobicContact CG-CB 3.82Å; Y590-P648 HydrophobicContact CG-CG 4.06Å; Y590-T649 HydrophobicContact CE2-CG2 4.46Å; Y590-M671 CarbonylContact O-C 3.51Å; Y590-M671 WeakPolarHBondContact O-CA 3.46Å; Y590-C672 PolarHBondContact N-O 2.97Å; Y590-C672 PolarHBondContact O-N 3.41Å; Y590-I674 HydrophobicContact CE2-CG1 4.13Å
591	L	94.9	Very high	91.2	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.2	-177.6	-61	179.2	0	0	0	111.9	L589 W598 K599 R601 V612 E670 M671	L589-L591 HydrophobicContact CB-CD2 3.97Å; L589-L591 HydrophobicContact CB-CG 4.37Å; L589-L591 HydrophobicContact CD1-CD2 4.38Å; L591-W598 CarbonylContact O-C 3.57Å; L591-W598 WeakPolarHBondContact O-CA 3.24Å; L591-K599 PolarHBondContact N-O 3.18Å; L591-K599 PolarHBondContact O-N 3.21Å; L591-R601 HydrophobicContact CD1-CB 4.06Å; L591-R601 HydrophobicContact CD1-CG 4.08Å; L591-V612 HydrophobicContact CD1-CB 4.16Å; L591-V612 HydrophobicContact CD1-CG1 3.41Å; L591-V612 VanDerWaalsContact CD1-CG1 3.41Å; L591-V612 HydrophobicContact CD1-CG2 3.57Å; L591-E670 WeakPolarHBondContact CA-O 3.29Å; L591-M671 HydrophobicContact CD2-CB 4.22Å; L591-M671 HydrophobicContact CD2-CG 3.65Å; L591-M671 HydrophobicContact CD2-SD 4.41Å
592	R	92.2	Very high	91.8	Very high	57 Å²	57	61 Å²	61	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.5	167	153	165.8	144.4	-172.5	-21.3	107.7	G594 T596 W598 E646 E670	R592-G594 WeakPolarHBondContact CG-O 3.43Å; R592-T596 VanDerWaalsContact CG-O 3.3Å; R592-T596 WeakPolarHBondContact CG-O 3.14Å; R592-W598 HydrophobicContact CB-CD2 3.65Å; R592-W598 HydrophobicContact CB-CE3 3.61Å; R592-W598 HydrophobicContact CB-CG 4.25Å; R592-W598 HydrophobicContact CB-CH2 4.2Å; R592-W598 HydrophobicContact CB-CZ2 4.24Å; R592-W598 HydrophobicContact CB-CZ3 3.89Å; R592-E646 IonicContact CZ-OE2 2.88Å; R592-E646 IonicContact NH1-OE2 2.81Å; R592-E646 PolarHBondContact NH1-OE2 3.4Å; R592-E646 IonicContact NH2-OE2 3.1Å; R592-E670 HydrophobicContact CB-CB 4.14Å; R592-E670 HydrophobicContact CG-CB 4.21Å; R592-E670 HydrophobicContact CG-CG 4.42Å; R592-E670 IonicContact CZ-OE1 2.93Å; R592-E670 VanDerWaalsContact CZ-OE1 3.26Å; R592-E670 IonicContact CZ-OE2 2.8Å; R592-E670 PolarHBondContact N-O 3.11Å; R592-E670 IonicContact NE-OE1 3.99Å; R592-E670 PolarHBondContact NE-OE1 2.9Å; R592-E670 IonicContact NE-OE2 2.67Å; R592-E670 PolarHBondContact NE-OE2 2.84Å; R592-E670 IonicContact NH2-OE1 3.82Å; R592-E670 PolarHBondContact NH2-OE1 3.38Å; R592-E670 IonicContact NH2-OE2 3.19Å; R592-E670 PolarHBondContact NH2-OE2 3.47Å; R592-E670 PolarHBondContact O-N 2.99Å
593	I	90	Very high	92.2	Very high	55 Å²	55	59.9 Å²	59.9	28%	0.282	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.7	-179.5	-55.3	-179.3	0	0	0	107	Q595 T596 L626 I669	I593-Q595 PolarHBondContact O-N 3.25Å; I593-T596 PolarHBondContact N-OG1 3Å; I593-T596 WeakPolarHBondContact O-CB 3.44Å; I593-T596 WeakPolarHBondContact O-CG2 3.37Å; I593-T596 PolarHBondContact O-N 3.13Å; I593-T596 PolarHBondContact O-OG1 2.89Å; I593-L626 HydrophobicContact CD1-CD1 3.89Å; I593-L626 HydrophobicContact CD1-CD2 3.98Å; I593-I669 HydrophobicContact CG1-CG1 4.26Å; I593-I669 HydrophobicContact CG2-CG1 4.06Å
594	G	84.2	Confident	92.5	Very high	8 Å²	8	60.1 Å²	60.1	8%	0.082	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	-134.8	-168	0	0	0	0	0	112.2	R592 T596 S665 I668	R592-G594 WeakPolarHBondContact CG-O 3.43Å; G594-T596 PolarHBondContact O-N 3.19Å; G594-S665 WeakPolarHBondContact CA-O 3.43Å; G594-S665 PolarHBondContact N-O 2.76Å; G594-S665 VanDerWaalsContact N-O 3.13Å; G594-I668 PolarHBondContact N-O 3.49Å
595	Q	79.4	Confident	92.6	Very high	188 Å²	188	55.8 Å²	55.8	88%	0.879	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	21.9	-177.3	-63.2	175.9	-16.4	0	0	114.2	I593	I593-Q595 PolarHBondContact O-N 3.25Å
596	T	86.6	Confident	92.5	Very high	66 Å²	66	56.5 Å²	56.5	41%	0.405	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-85.8	143.1	179.2	57.8	0	0	0	0	112.5	R592 I593 G594	R592-T596 VanDerWaalsContact CG-O 3.3Å; R592-T596 WeakPolarHBondContact CG-O 3.14Å; I593-T596 PolarHBondContact N-OG1 3Å; I593-T596 WeakPolarHBondContact O-CB 3.44Å; I593-T596 WeakPolarHBondContact O-CG2 3.37Å; I593-T596 PolarHBondContact O-N 3.13Å; I593-T596 PolarHBondContact O-OG1 2.89Å; G594-T596 PolarHBondContact O-N 3.19Å
597	K	90.2	Very high	92	Very high	185 Å²	185	58 Å²	58	80%	0.804	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-60.5	140.3	172.5	-64.8	-169.9	177.9	-171.6	0	111.1
598	W	93.9	Very high	91.6	Very high	55 Å²	55	60.7 Å²	60.7	21%	0.208	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-48.1	133.8	175.9	-68.7	107.3	0	0	0	113.2	L591 R592 E646 P648 E670 C672	L591-W598 CarbonylContact O-C 3.57Å; L591-W598 WeakPolarHBondContact O-CA 3.24Å; R592-W598 HydrophobicContact CB-CD2 3.65Å; R592-W598 HydrophobicContact CB-CE3 3.61Å; R592-W598 HydrophobicContact CB-CG 4.25Å; R592-W598 HydrophobicContact CB-CH2 4.2Å; R592-W598 HydrophobicContact CB-CZ2 4.24Å; R592-W598 HydrophobicContact CB-CZ3 3.89Å; W598-E646 PolarHBondContact NE1-O 2.8Å; W598-P648 HydrophobicContact CB-CG 3.96Å; W598-P648 HydrophobicContact CD2-CG 3.77Å; W598-P648 VanDerWaalsContact CE2-CD 3.46Å; W598-P648 HydrophobicContact CE3-CG 4.14Å; W598-P648 HydrophobicContact CG-CG 3.69Å; W598-E670 HydrophobicContact CH2-CB 3.7Å; W598-E670 HydrophobicContact CZ2-CB 4.37Å; W598-E670 HydrophobicContact CZ3-CB 4.2Å; W598-C672 HydrophobicContact CH2-CB 4.23Å; W598-C672 HydrophobicContact CZ3-CB 3.92Å
599	K	93.7	Very high	91.3	Very high	110 Å²	110	59.2 Å²	59.2	48%	0.478	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.2	176.8	-70.2	167.5	-168.9	173.7	0	110.2	L591 R601	L591-K599 PolarHBondContact N-O 3.18Å; L591-K599 PolarHBondContact O-N 3.21Å; K599-R601 HydrophobicContact CB-CG 4.4Å; K599-R601 PolarHBondContact O-N 3.13Å
600	R	95	Very high	91.2	Very high	98 Å²	98	59.2 Å²	59.2	37%	0.37	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	119	169.7	-170.1	171.1	173.6	159.4	-10.9	109.6	Q588 L589 Y590	Q588-R600 VanDerWaalsContact OE1-CZ 3.23Å; L589-R600 CarbonylContact O-C 3.56Å; L589-R600 WeakPolarHBondContact O-CA 3.18Å; Y590-R600 HydrophobicContact CD1-CB 3.97Å; Y590-R600 HydrophobicContact CE1-CB 3.96Å; Y590-R600 HydrophobicContact CE1-CG 4.37Å; Y590-R600 HydrophobicContact CE2-CG 4.32Å; Y590-R600 HydrophobicContact CG-CB 4.39Å; Y590-R600 PolarHBondContact OH-NH1 3.08Å
601	R	94.1	Very high	91.2	Very high	56 Å²	56	58.8 Å²	58.8	21%	0.211	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.2	-176.7	-59.9	-54.1	-155.8	168.7	16.6	109.9	Q588 L589 L591 K599 V612 S613 K614 Q615	Q588-R601 CarbonylContact C-O 3.56Å; Q588-R601 VanDerWaalsContact CA-O 3.27Å; Q588-R601 WeakPolarHBondContact CA-O 3.2Å; L589-R601 PolarHBondContact N-O 2.73Å; L589-R601 PolarHBondContact O-N 2.89Å; L589-R601 VanDerWaalsContact O-O 3.14Å; L591-R601 HydrophobicContact CD1-CB 4.06Å; L591-R601 HydrophobicContact CD1-CG 4.08Å; K599-R601 HydrophobicContact CB-CG 4.4Å; K599-R601 PolarHBondContact O-N 3.13Å; R601-V612 HydrophobicContact CB-CG1 3.77Å; R601-V612 HydrophobicContact CG-CG1 3.82Å; R601-S613 WeakPolarHBondContact CD-O 3.35Å; R601-S613 PolarHBondContact NE-O 2.88Å; R601-K614 VanDerWaalsContact NH1-C 3.33Å; R601-K614 PolarHBondContact NH1-O 3.22Å; R601-K614 PolarHBondContact NH2-O 3.39Å; R601-Q615 VanDerWaalsContact NH1-C 3.3Å; R601-Q615 PolarHBondContact NH1-O 2.68Å
602	Y	95	Very high	91.1	Very high	64 Å²	64	59 Å²	59	25%	0.251	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.4	160	-79.9	-84.5	0	0	0	109.6	Q588 S613 K616 M618	Q588-Y602 HydrophobicContact CG-CD1 3.59Å; Q588-Y602 HydrophobicContact CG-CD2 4.04Å; Q588-Y602 HydrophobicContact CG-CE1 3.49Å; Q588-Y602 VanDerWaalsContact CG-CE1 3.49Å; Q588-Y602 HydrophobicContact CG-CE2 3.96Å; Q588-Y602 HydrophobicContact CG-CG 3.89Å; Q588-Y602 PolarHBondContact NE2-OH 3.21Å; Y602-S613 PolarHBondContact N-OG 3.11Å; Y602-S613 PolarHBondContact O-N 3.49Å; Y602-S613 PolarHBondContact O-OG 3.41Å; Y602-K616 VanDerWaalsContact CD2-O 3.23Å; Y602-K616 WeakPolarHBondContact CD2-O 3.38Å; Y602-K616 VanDerWaalsContact CE2-O 3.31Å; Y602-K616 WeakPolarHBondContact CE2-O 3.29Å; Y602-M618 HydrophobicContact CD1-CE 4.34Å; Y602-M618 HydrophobicContact CD1-CG 3.57Å; Y602-M618 HydrophobicContact CD1-SD 3.98Å; Y602-M618 HydrophobicContact CD2-CB 4.33Å; Y602-M618 HydrophobicContact CD2-CG 3.73Å; Y602-M618 HydrophobicContact CE1-CG 3.54Å; Y602-M618 HydrophobicContact CE1-SD 4.28Å; Y602-M618 HydrophobicContact CE2-CB 4.3Å; Y602-M618 HydrophobicContact CE2-CG 3.69Å; Y602-M618 HydrophobicContact CG-CE 4.17Å; Y602-M618 HydrophobicContact CG-CG 3.64Å; Y602-M618 HydrophobicContact CG-SD 4.29Å
603	C	95.6	Very high	91.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.6	173.1	-59.6	0	0	0	0	108.9	T586 D587 L589 F610 Y611 W682	T586-C603 VanDerWaalsContact CA-O 3.31Å; T586-C603 WeakPolarHBondContact CA-O 3.42Å; D587-C603 PolarHBondContact N-O 3.47Å; D587-C603 VanDerWaalsContact N-O 3.15Å; D587-C603 PolarHBondContact O-N 3.24Å; L589-C603 HydrophobicContact CD1-CB 4.1Å; L589-C603 HydrophobicContact CG-CB 4.38Å; C603-F610 HydrophobicContact CB-CE1 4.39Å; C603-F610 HydrophobicContact CB-CE2 4.13Å; C603-F610 HydrophobicContact CB-CZ 3.74Å; C603-Y611 CarbonylContact C-O 3.59Å; C603-Y611 VanDerWaalsContact CA-O 3.31Å; C603-Y611 WeakPolarHBondContact CA-O 2.95Å; C603-W682 HydrophobicContact CB-CH2 3.57Å; C603-W682 HydrophobicContact CB-CZ2 3.74Å; C603-W682 HydrophobicContact CB-CZ3 4.38Å
604	H	94.1	Very high	91	Very high	25 Å²	25	59.9 Å²	59.9	12%	0.116	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.6	-175.8	173	85.4	0	0	0	108.6	V584 H585 T586 N606 Y611	V584-H604 WeakPolarHBondContact CG1-CE1 3.43Å; H585-H604 WeakPolarHBondContact O-CA 3.35Å; T586-H604 HydrophobicContact CG2-CB 4.41Å; T586-H604 PolarHBondContact OG1-ND1 3.41Å; H604-N606 PolarHBondContact CD2-ND2 2.71Å; H604-N606 VanDerWaalsContact CD2-ND2 3.33Å; H604-N606 PolarHBondContact NE2-ND2 3.18Å; H604-Y611 PolarHBondContact N-O 3.14Å; H604-Y611 PolarHBondContact O-N 3.22Å
605	L	94.8	Very high	90.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.9	178.5	175.4	61.6	0	0	0	109.3	I582 V584 H585 F610 F629 W682 L685 L686 T689	I582-L605 HydrophobicContact CG2-CD2 4.38Å; I582-L605 HydrophobicContact CG2-CG 4.07Å; V584-L605 WeakPolarHBondContact CA-O 3.11Å; H585-L605 PolarHBondContact N-O 3.25Å; H585-L605 PolarHBondContact O-N 3.11Å; L605-F610 HydrophobicContact CB-CD2 4.47Å; L605-F610 HydrophobicContact CD1-CB 4.34Å; L605-F629 HydrophobicContact CD1-CE2 4.11Å; L605-F629 HydrophobicContact CD1-CZ 3.84Å; L605-W682 HydrophobicContact CB-CH2 4.36Å; L605-W682 HydrophobicContact CB-CZ3 3.81Å; L605-W682 HydrophobicContact CD2-CZ3 4.36Å; L605-L685 HydrophobicContact CD2-CB 3.68Å; L605-L686 HydrophobicContact CD2-CD2 4.38Å; L605-T689 HydrophobicContact CD1-CG2 4.49Å
606	N	91	Very high	90.9	Very high	24 Å²	24	62.5 Å²	62.5	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	179.2	175.6	63	47.5	0	0	0	109.4	V584 H604 N608 G609	V584-N606 HydrophobicContact CG2-CB 4.1Å; H604-N606 PolarHBondContact CD2-ND2 2.71Å; H604-N606 VanDerWaalsContact CD2-ND2 3.33Å; H604-N606 PolarHBondContact NE2-ND2 3.18Å; N606-N608 PolarHBondContact O-N 3.4Å; N606-N608 WeakPolarHBondContact OD1-CA 3.35Å; N606-N608 WeakPolarHBondContact OD1-CB 3.45Å; N606-N608 PolarHBondContact OD1-N 3.11Å; N606-G609 PolarHBondContact N-O 3.35Å; N606-G609 VanDerWaalsContact N-O 3.14Å; N606-G609 PolarHBondContact O-N 2.66Å; N606-G609 VanDerWaalsContact O-N 3.11Å; N606-G609 PolarHBondContact OD1-N 2.88Å
607	S	85.4	Confident	90.5	Very high	81 Å²	81	65 Å²	65	57%	0.566	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-24.4	177.4	53.9	0	0	0	0	115.6
608	N	85.3	Confident	89.9	Confident	103 Å²	103	59.5 Å²	59.5	55%	0.551	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-12.6	-173.2	-54.6	4.7	0	0	0	111.9	N606 R625	N606-N608 PolarHBondContact O-N 3.4Å; N606-N608 WeakPolarHBondContact OD1-CA 3.35Å; N606-N608 WeakPolarHBondContact OD1-CB 3.45Å; N606-N608 PolarHBondContact OD1-N 3.11Å; N608-R625 PolarHBondContact O-NE 2.81Å; N608-R625 VanDerWaalsContact O-NE 3.15Å; N608-R625 PolarHBondContact O-NH2 3.1Å
609	G	90.3	Very high	89.1	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.9	-167.4	171.5	0	0	0	0	0	115.2	N606 Y611	N606-G609 PolarHBondContact N-O 3.35Å; N606-G609 VanDerWaalsContact N-O 3.14Å; N606-G609 PolarHBondContact O-N 2.66Å; N606-G609 VanDerWaalsContact O-N 3.11Å; N606-G609 PolarHBondContact OD1-N 2.88Å; G609-Y611 VanDerWaalsContact O-CD2 3.28Å; G609-Y611 WeakPolarHBondContact O-CD2 3.13Å; G609-Y611 VanDerWaalsContact O-CE2 3.32Å; G609-Y611 WeakPolarHBondContact O-CE2 3.43Å
610	F	94.5	Very high	88.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.1	-179.5	-177.1	-84.6	0	0	0	109.6	L589 C603 L605 V612 R625 L626 I628 F629 M671 W682 L686	L589-F610 HydrophobicContact CD1-CE2 4.47Å; L589-F610 HydrophobicContact CD1-CZ 4.18Å; C603-F610 HydrophobicContact CB-CE1 4.39Å; C603-F610 HydrophobicContact CB-CE2 4.13Å; C603-F610 HydrophobicContact CB-CZ 3.74Å; L605-F610 HydrophobicContact CB-CD2 4.47Å; L605-F610 HydrophobicContact CD1-CB 4.34Å; F610-V612 HydrophobicContact CD1-CG2 4.11Å; F610-V612 HydrophobicContact CE1-CG2 3.56Å; F610-R625 CarbonylContact O-C 3.37Å; F610-R625 WeakPolarHBondContact O-CA 3.37Å; F610-L626 HydrophobicContact CD1-CB 4.18Å; F610-L626 HydrophobicContact CD1-CD1 4.16Å; F610-L626 HydrophobicContact CD1-CG 4.29Å; F610-L626 HydrophobicContact CE1-CD1 4Å; F610-L626 PolarHBondContact O-N 2.8Å; F610-I628 HydrophobicContact CB-CD1 3.49Å; F610-I628 VanDerWaalsContact CB-CD1 3.49Å; F610-I628 HydrophobicContact CB-CG1 3.91Å; F610-I628 HydrophobicContact CD1-CD1 4.07Å; F610-I628 HydrophobicContact CD2-CD1 3.82Å; F610-I628 HydrophobicContact CG-CD1 3.55Å; F610-I628 HydrophobicContact CG-CG1 4.38Å; F610-F629 HydrophobicContact CB-CE2 3.83Å; F610-F629 HydrophobicContact CB-CZ 4.09Å; F610-M671 HydrophobicContact CE2-SD 4.37Å; F610-M671 HydrophobicContact CZ-SD 3.93Å; F610-W682 AromaticContact CD2-CZ3 3.9Å; F610-W682 HydrophobicContact CD2-CZ3 3.9Å; F610-W682 AromaticContact CE2-CE3 3.93Å; F610-W682 HydrophobicContact CE2-CE3 3.93Å; F610-W682 HydrophobicContact CE2-CH2 4.1Å; F610-W682 AromaticContact CE2-CZ3 3.44Å; F610-W682 HydrophobicContact CE2-CZ3 3.44Å; F610-W682 VanDerWaalsContact CE2-CZ3 3.44Å; F610-W682 HydrophobicContact CZ-CZ3 4.49Å; F610-L686 HydrophobicContact CD2-CD2 3.99Å; F610-L686 HydrophobicContact CE2-CD2 4.35Å
611	Y	94.9	Very high	87.3	Confident	47 Å²	47	61.9 Å²	61.9	18%	0.184	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.3	-169.9	-62.3	-98.6	0	0	0	110.9	C603 H604 G609 L623 T624 R625	C603-Y611 CarbonylContact C-O 3.59Å; C603-Y611 VanDerWaalsContact CA-O 3.31Å; C603-Y611 WeakPolarHBondContact CA-O 2.95Å; H604-Y611 PolarHBondContact N-O 3.14Å; H604-Y611 PolarHBondContact O-N 3.22Å; G609-Y611 VanDerWaalsContact O-CD2 3.28Å; G609-Y611 WeakPolarHBondContact O-CD2 3.13Å; G609-Y611 VanDerWaalsContact O-CE2 3.32Å; G609-Y611 WeakPolarHBondContact O-CE2 3.43Å; Y611-L623 HydrophobicContact CD1-CB 4.36Å; Y611-T624 CarbonylContact C-O 3.56Å; Y611-T624 WeakPolarHBondContact CA-O 3.45Å; Y611-R625 HydrophobicContact CD1-CB 3.79Å; Y611-R625 HydrophobicContact CD1-CG 4.19Å; Y611-R625 HydrophobicContact CE1-CB 3.68Å; Y611-R625 HydrophobicContact CE1-CG 3.83Å
612	V	93.9	Very high	86.8	Confident	15 Å²	15	62.6 Å²	62.6	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.2	-175	177.1	0	0	0	0	111	L591 R601 F610 L623 T624 L626	L591-V612 HydrophobicContact CD1-CB 4.16Å; L591-V612 HydrophobicContact CD1-CG1 3.41Å; L591-V612 VanDerWaalsContact CD1-CG1 3.41Å; L591-V612 HydrophobicContact CD1-CG2 3.57Å; R601-V612 HydrophobicContact CB-CG1 3.77Å; R601-V612 HydrophobicContact CG-CG1 3.82Å; F610-V612 HydrophobicContact CD1-CG2 4.11Å; F610-V612 HydrophobicContact CE1-CG2 3.56Å; V612-L623 WeakPolarHBondContact O-CA 3.25Å; V612-T624 PolarHBondContact N-O 2.92Å; V612-T624 PolarHBondContact O-N 3.33Å; V612-L626 HydrophobicContact CG2-CD1 3.71Å; V612-L626 HydrophobicContact CG2-CG 3.95Å
613	S	93.1	Very high	86.5	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.4	177.2	65.1	0	0	0	0	112.7	R601 Y602 Q615	R601-S613 WeakPolarHBondContact CD-O 3.35Å; R601-S613 PolarHBondContact NE-O 2.88Å; Y602-S613 PolarHBondContact N-OG 3.11Å; Y602-S613 PolarHBondContact O-N 3.49Å; Y602-S613 PolarHBondContact O-OG 3.41Å; S613-Q615 PolarHBondContact O-N 3.49Å; S613-Q615 PolarHBondContact OG-O 2.82Å
614	K	85.6	Confident	86.3	Confident	128 Å²	128	64.5 Å²	64.5	56%	0.557	33%	0.329	S	S	*	.	S	Bend	trans	-64.4	-19.1	172.1	-70.9	-175.6	177.9	179.7	0	113.4	R601 Q622 T624	R601-K614 VanDerWaalsContact NH1-C 3.33Å; R601-K614 PolarHBondContact NH1-O 3.22Å; R601-K614 PolarHBondContact NH2-O 3.39Å; K614-Q622 HydrophobicContact CB-CB 4.34Å; K614-Q622 PolarHBondContact N-O 2.85Å; K614-T624 VanDerWaalsContact CE-OG1 3.25Å; K614-T624 WeakPolarHBondContact CE-OG1 3.47Å
615	Q	82.3	Confident	86.2	Confident	89 Å²	89	70 Å²	70	42%	0.416	35%	0.349	S	S	.	.	S	Bend	trans	-117.2	175.5	179.6	-57.3	-170.4	7.1	0	0	111.9	R601 S613 I617 Q622	R601-Q615 VanDerWaalsContact NH1-C 3.3Å; R601-Q615 PolarHBondContact NH1-O 2.68Å; S613-Q615 PolarHBondContact O-N 3.49Å; S613-Q615 PolarHBondContact OG-O 2.82Å; Q615-I617 VanDerWaalsContact C-N 3.31Å; Q615-Q622 VanDerWaalsContact NE2-OE1 3.14Å
616	K	79.1	Confident	86	Confident	162 Å²	162	71.2 Å²	71.2	70%	0.704	36%	0.356	S	S	*	.	S	Bend	trans	-73.9	-22.1	171.7	-75.8	-174.7	178.3	179.2	0	112.9	Y602	Y602-K616 VanDerWaalsContact CD2-O 3.23Å; Y602-K616 WeakPolarHBondContact CD2-O 3.38Å; Y602-K616 VanDerWaalsContact CE2-O 3.31Å; Y602-K616 WeakPolarHBondContact CE2-O 3.29Å
617	I	79.3	Confident	85.8	Confident	117 Å²	117	74.6 Å²	74.6	60%	0.6	37%	0.374	S	S	*	.	S	Bend	trans	-90.1	149.9	-176.1	-57.8	171.4	0	0	0	109.9	Q615 N619	Q615-I617 VanDerWaalsContact C-N 3.31Å; I617-N619 PolarHBondContact O-N 3Å
618	M	76.9	Confident	85.9	Confident	70 Å²	70	70.8 Å²	70.8	35%	0.345	35%	0.347	S	S	.	.			trans	-59.6	102.7	166.9	-87	-99.9	66.2	0	0	110.3	T586 Y602	T586-M618 HydrophobicContact CG2-CE 3.69Å; T586-M618 HydrophobicContact CG2-SD 3.5Å; T586-M618 VanDerWaalsContact CG2-SD 3.5Å; Y602-M618 HydrophobicContact CD1-CE 4.34Å; Y602-M618 HydrophobicContact CD1-CG 3.57Å; Y602-M618 HydrophobicContact CD1-SD 3.98Å; Y602-M618 HydrophobicContact CD2-CB 4.33Å; Y602-M618 HydrophobicContact CD2-CG 3.73Å; Y602-M618 HydrophobicContact CE1-CG 3.54Å; Y602-M618 HydrophobicContact CE1-SD 4.28Å; Y602-M618 HydrophobicContact CE2-CB 4.3Å; Y602-M618 HydrophobicContact CE2-CG 3.69Å; Y602-M618 HydrophobicContact CG-CE 4.17Å; Y602-M618 HydrophobicContact CG-CG 3.64Å; Y602-M618 HydrophobicContact CG-SD 4.29Å
619	N	77.5	Confident	85.9	Confident	48 Å²	48	68.7 Å²	68.7	26%	0.257	33%	0.333	S	S	.	.			trans	-129.6	105.1	168.2	-173.6	-2.1	0	0	0	110.4	I617 S621 Q622	I617-N619 PolarHBondContact O-N 3Å; N619-S621 PolarHBondContact O-N 3.45Å; N619-S621 PolarHBondContact OD1-N 2.95Å; N619-S621 VanDerWaalsContact OD1-N 3.1Å; N619-S621 PolarHBondContact OD1-OG 2.78Å; N619-Q622 HydrophobicContact CB-CB 4.48Å; N619-Q622 PolarHBondContact O-N 3.42Å; N619-Q622 VanDerWaalsContact O-N 3.14Å
620	K	75.9	Confident	85.5	Confident	162 Å²	162	72.1 Å²	72.1	70%	0.704	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-65.1	-23.9	-178.3	-68.6	-175.7	178.1	179.9	0	113.2	Q622	K620-Q622 VanDerWaalsContact C-N 3.32Å
621	S	75.1	Confident	84.7	Confident	103 Å²	103	77.5 Å²	77.5	72%	0.72	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-82.1	-7.1	176.1	69.3	0	0	0	0	114	N619	N619-S621 PolarHBondContact O-N 3.45Å; N619-S621 PolarHBondContact OD1-N 2.95Å; N619-S621 VanDerWaalsContact OD1-N 3.1Å; N619-S621 PolarHBondContact OD1-OG 2.78Å
622	Q	83.9	Confident	84.1	Confident	72 Å²	72	80 Å²	80	34%	0.336	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-124.2	43.5	179.5	-63.6	-169.8	2.6	0	0	112.1	K614 Q615 N619 K620	K614-Q622 HydrophobicContact CB-CB 4.34Å; K614-Q622 PolarHBondContact N-O 2.85Å; Q615-Q622 VanDerWaalsContact NE2-OE1 3.14Å; N619-Q622 HydrophobicContact CB-CB 4.48Å; N619-Q622 PolarHBondContact O-N 3.42Å; N619-Q622 VanDerWaalsContact O-N 3.14Å; K620-Q622 VanDerWaalsContact C-N 3.32Å
623	L	88.8	Confident	83.9	Confident	44 Å²	44	80.1 Å²	80.1	23%	0.23	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.8	171.8	-70.4	178.2	0	0	0	111.1	Y611 V612	Y611-L623 HydrophobicContact CD1-CB 4.36Å; V612-L623 WeakPolarHBondContact O-CA 3.25Å
624	T	91	Very high	83.8	Confident	60 Å²	60	82.3 Å²	82.3	37%	0.368	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.2	171.9	-65	0	0	0	0	109	Y611 V612 K614	Y611-T624 CarbonylContact C-O 3.56Å; Y611-T624 WeakPolarHBondContact CA-O 3.45Å; V612-T624 PolarHBondContact N-O 2.92Å; V612-T624 PolarHBondContact O-N 3.33Å; K614-T624 VanDerWaalsContact CE-OG1 3.25Å; K614-T624 WeakPolarHBondContact CE-OG1 3.47Å
625	R	92	Very high	84.3	Confident	141 Å²	141	76.9 Å²	76.9	53%	0.532	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.2	176.5	-164.3	-178.7	-174	-140.9	5.4	109.5	N608 F610 Y611	N608-R625 PolarHBondContact O-NE 2.81Å; N608-R625 VanDerWaalsContact O-NE 3.15Å; N608-R625 PolarHBondContact O-NH2 3.1Å; F610-R625 CarbonylContact O-C 3.37Å; F610-R625 WeakPolarHBondContact O-CA 3.37Å; Y611-R625 HydrophobicContact CD1-CB 3.79Å; Y611-R625 HydrophobicContact CD1-CG 4.19Å; Y611-R625 HydrophobicContact CE1-CB 3.68Å; Y611-R625 HydrophobicContact CE1-CG 3.83Å
626	L	91.1	Very high	84.9	Confident	25 Å²	25	72.6 Å²	72.6	13%	0.131	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.6	169	-58.6	-172.1	0	0	0	109.9	I593 F610 V612 I628 I669	I593-L626 HydrophobicContact CD1-CD1 3.89Å; I593-L626 HydrophobicContact CD1-CD2 3.98Å; F610-L626 HydrophobicContact CD1-CB 4.18Å; F610-L626 HydrophobicContact CD1-CD1 4.16Å; F610-L626 HydrophobicContact CD1-CG 4.29Å; F610-L626 HydrophobicContact CE1-CD1 4Å; F610-L626 PolarHBondContact O-N 2.8Å; V612-L626 HydrophobicContact CG2-CD1 3.71Å; V612-L626 HydrophobicContact CG2-CG 3.95Å; L626-I628 HydrophobicContact CB-CG2 4.15Å; L626-I628 PolarHBondContact O-N 3.08Å; L626-I669 HydrophobicContact CB-CD1 4.23Å; L626-I669 HydrophobicContact CD1-CD1 4.06Å; L626-I669 HydrophobicContact CD1-CG2 4.15Å
627	N	85.9	Confident	85.6	Confident	95 Å²	95	65 Å²	65	51%	0.508	33%	0.332	S	S	.	.			trans	-83.9	52.9	-177.8	-67.6	-10.4	0	0	0	111.7	F629 Q630 L633	N627-F629 VanDerWaalsContact C-N 3.3Å; N627-F629 PolarHBondContact O-N 2.98Å; N627-Q630 HydrophobicContact CB-CG 4.24Å; N627-Q630 WeakPolarHBondContact O-CG 3.17Å; N627-L633 WeakPolarHBondContact O-CD1 3.22Å
628	I	88.5	Confident	86.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.309	C	S	.	.			trans	-75.5	-17.4	-180	60.3	172.5	0	0	0	113.7	F610 L626 Q630 L633 V655 I669 L686 L690	F610-I628 HydrophobicContact CB-CD1 3.49Å; F610-I628 VanDerWaalsContact CB-CD1 3.49Å; F610-I628 HydrophobicContact CB-CG1 3.91Å; F610-I628 HydrophobicContact CD1-CD1 4.07Å; F610-I628 HydrophobicContact CD2-CD1 3.82Å; F610-I628 HydrophobicContact CG-CD1 3.55Å; F610-I628 HydrophobicContact CG-CG1 4.38Å; L626-I628 HydrophobicContact CB-CG2 4.15Å; L626-I628 PolarHBondContact O-N 3.08Å; I628-Q630 VanDerWaalsContact C-N 3.33Å; I628-Q630 PolarHBondContact O-N 2.82Å; I628-L633 WeakPolarHBondContact O-CD1 3.38Å; I628-V655 HydrophobicContact CB-CG1 4.06Å; I628-V655 HydrophobicContact CB-CG2 4.37Å; I628-V655 HydrophobicContact CG2-CB 4.36Å; I628-V655 HydrophobicContact CG2-CG1 4.25Å; I628-V655 HydrophobicContact CG2-CG2 4.46Å; I628-I669 HydrophobicContact CG2-CB 4.4Å; I628-I669 HydrophobicContact CG2-CD1 3.48Å; I628-I669 VanDerWaalsContact CG2-CD1 3.48Å; I628-I669 HydrophobicContact CG2-CG2 4.33Å; I628-L686 HydrophobicContact CD1-CD2 3.52Å; I628-L690 WeakPolarHBondContact O-CD2 3.15Å
629	F	84.3	Confident	86.8	Confident	60 Å²	60	57.6 Å²	57.6	26%	0.263	30%	0.295	S	S	.	.	S	Bend	trans	-96.3	38.2	-177.9	-51.6	-57.3	0	0	0	112.7	L605 F610 N627 L686 T689 L690	L605-F629 HydrophobicContact CD1-CE2 4.11Å; L605-F629 HydrophobicContact CD1-CZ 3.84Å; F610-F629 HydrophobicContact CB-CE2 3.83Å; F610-F629 HydrophobicContact CB-CZ 4.09Å; N627-F629 VanDerWaalsContact C-N 3.3Å; N627-F629 PolarHBondContact O-N 2.98Å; F629-L686 HydrophobicContact CE1-CD2 4.12Å; F629-L686 HydrophobicContact CZ-CD2 4.01Å; F629-T689 HydrophobicContact CD1-CG2 3.69Å; F629-T689 HydrophobicContact CD2-CG2 4.02Å; F629-T689 HydrophobicContact CE1-CG2 3.33Å; F629-T689 HydrophobicContact CE2-CG2 3.66Å; F629-T689 HydrophobicContact CG-CG2 4.04Å; F629-T689 HydrophobicContact CZ-CG2 3.31Å; F629-L690 HydrophobicContact CD1-CD2 3.71Å; F629-L690 HydrophobicContact CD1-CG 3.82Å; F629-L690 HydrophobicContact CE1-CD2 4.33Å; F629-L690 HydrophobicContact CE1-CG 4.02Å
630	Q	82.2	Confident	86.5	Confident	74 Å²	74	56 Å²	56	35%	0.346	29%	0.288	S	S	.	.			trans	-86.9	147.7	173.9	-70.4	-179.3	-19.4	0	0	111.1	N627 I628 L633	N627-Q630 HydrophobicContact CB-CG 4.24Å; N627-Q630 WeakPolarHBondContact O-CG 3.17Å; I628-Q630 VanDerWaalsContact C-N 3.33Å; I628-Q630 PolarHBondContact O-N 2.82Å; Q630-L633 HydrophobicContact CB-CD1 3.78Å; Q630-L633 HydrophobicContact CB-CG 4.02Å; Q630-L633 HydrophobicContact CG-CD1 4.42Å; Q630-L633 WeakPolarHBondContact O-CB 3.19Å; Q630-L633 PolarHBondContact O-N 2.81Å
631	P	78.3	Confident	85.7	Confident	114 Å²	114	50.4 Å²	50.4	74%	0.74	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	142.7	171.6	26.4	-34.8	0	0	0	110.6	L633	P631-L633 VanDerWaalsContact C-N 3.29Å; P631-L633 PolarHBondContact O-N 3.28Å
632	N	81.8	Confident	84.6	Confident	100 Å²	100	50.7 Å²	50.7	54%	0.535	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	7	-174.9	-40.5	-77.4	0	0	0	116.2	Y634 P657	N632-Y634 VanDerWaalsContact O-CD2 3.29Å; N632-Y634 WeakPolarHBondContact O-CD2 3.22Å; N632-Y634 VanDerWaalsContact O-CE2 3.24Å; N632-Y634 WeakPolarHBondContact O-CE2 3.17Å; N632-P657 WeakPolarHBondContact O-CA 3.33Å
633	L	88.7	Confident	83.2	Confident	16 Å²	16	48.6 Å²	48.6	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.2	162.5	-62.7	-175.8	0	0	0	110.3	N627 I628 Q630 P631 V655 P657 L667	N627-L633 WeakPolarHBondContact O-CD1 3.22Å; I628-L633 WeakPolarHBondContact O-CD1 3.38Å; Q630-L633 HydrophobicContact CB-CD1 3.78Å; Q630-L633 HydrophobicContact CB-CG 4.02Å; Q630-L633 HydrophobicContact CG-CD1 4.42Å; Q630-L633 WeakPolarHBondContact O-CB 3.19Å; Q630-L633 PolarHBondContact O-N 2.81Å; P631-L633 VanDerWaalsContact C-N 3.29Å; P631-L633 PolarHBondContact O-N 3.28Å; L633-V655 HydrophobicContact CB-CG1 3.89Å; L633-V655 HydrophobicContact CD1-CG1 3.99Å; L633-V655 HydrophobicContact CG-CG1 4.41Å; L633-P657 HydrophobicContact CD2-CB 4.44Å; L633-P657 HydrophobicContact CD2-CG 3.67Å; L633-L667 HydrophobicContact CD2-CB 4.39Å
634	Y	92	Very high	81.5	Confident	48 Å²	48	53.1 Å²	53.1	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.3	-178.5	-60.9	-90.9	0	0	0	110.3	Y527 N632 V655 R656 H658	Y527-Y634 AromaticContact CE1-CE1 3.68Å; Y527-Y634 HydrophobicContact CE1-CE1 3.68Å; Y527-Y634 AromaticContact CE1-CZ 3.8Å; N632-Y634 VanDerWaalsContact O-CD2 3.29Å; N632-Y634 WeakPolarHBondContact O-CD2 3.22Å; N632-Y634 VanDerWaalsContact O-CE2 3.24Å; N632-Y634 WeakPolarHBondContact O-CE2 3.17Å; Y634-V655 WeakPolarHBondContact O-CA 3.26Å; Y634-R656 PolarHBondContact N-O 3.05Å; Y634-R656 PolarHBondContact O-N 3.39Å; Y634-R656 VanDerWaalsContact O-N 3.11Å; Y634-H658 HydrophobicContact CD2-CB 3.78Å; Y634-H658 HydrophobicContact CE2-CB 3.7Å
635	L	95.2	Very high	79.7	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.9	177	-173.3	69.3	0	0	0	110.2	M653 V655 M671 Y683 L686 R687 L690	L635-M653 HydrophobicContact CD1-CB 4.15Å; L635-V655 HydrophobicContact CD1-CG2 3.59Å; L635-M671 HydrophobicContact CD1-CE 4.2Å; L635-Y683 HydrophobicContact CD2-CD2 3.51Å; L635-Y683 HydrophobicContact CD2-CE2 3.61Å; L635-Y683 HydrophobicContact CD2-CG 4.39Å; L635-Y683 HydrophobicContact CG-CD2 4.16Å; L635-Y683 HydrophobicContact CG-CE2 3.99Å; L635-L686 HydrophobicContact CD1-CD1 4.34Å; L635-L686 HydrophobicContact CD2-CB 3.89Å; L635-R687 HydrophobicContact CD2-CG 4Å; L635-L690 HydrophobicContact CB-CD1 3.79Å; L635-L690 HydrophobicContact CD2-CD1 4.43Å
636	Y	94.9	Very high	79.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	161.5	171.2	-67.4	-91.4	0	0	0	110.8	E507 I509 L514 E515 R516 M653 V654 R656 H658	E507-Y636 HydrophobicContact CG-CE1 4.35Å; E507-Y636 VanDerWaalsContact OE2-CE1 3.26Å; E507-Y636 WeakPolarHBondContact OE2-CE1 3.13Å; E507-Y636 PolarHBondContact OE2-OH 3.13Å; I509-Y636 HydrophobicContact CD1-CD1 4.4Å; I509-Y636 HydrophobicContact CD1-CE1 3.65Å; I509-Y636 HydrophobicContact CG1-CE1 4.35Å; L514-Y636 HydrophobicContact CB-CD1 4.1Å; L514-Y636 HydrophobicContact CB-CG 4.29Å; L514-Y636 HydrophobicContact CD1-CG 4.18Å; E515-Y636 CarbonylContact O-C 3.57Å; E515-Y636 WeakPolarHBondContact O-CA 3.3Å; R516-Y636 HydrophobicContact CB-CD1 3.83Å; R516-Y636 HydrophobicContact CB-CE1 4.13Å; R516-Y636 HydrophobicContact CB-CG 4.43Å; R516-Y636 HydrophobicContact CG-CD1 3.91Å; R516-Y636 HydrophobicContact CG-CE1 3.66Å; Y636-M653 CarbonylContact O-C 3.57Å; Y636-M653 VanDerWaalsContact O-CA 3.26Å; Y636-M653 WeakPolarHBondContact O-CA 3.26Å; Y636-V654 PolarHBondContact N-O 3.35Å; Y636-V654 PolarHBondContact O-N 3.04Å; Y636-R656 HydrophobicContact CD2-CG 3.62Å; Y636-R656 HydrophobicContact CE2-CG 3.81Å; Y636-H658 PolarHBondContact OH-CD2 3.3Å; Y636-H658 VanDerWaalsContact OH-CD2 3.3Å
637	I	95.6	Very high	79	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.4	168.2	73.7	170	0	0	0	109.5	L514 E515 W679 Y683 W864	L514-I637 WeakPolarHBondContact CA-O 3.5Å; E515-I637 HydrophobicContact CG-CD1 4.21Å; E515-I637 HydrophobicContact CG-CG1 3.65Å; E515-I637 PolarHBondContact N-O 3.31Å; E515-I637 PolarHBondContact O-N 3.04Å; I637-W679 HydrophobicContact CB-CZ2 4.17Å; I637-W679 HydrophobicContact CD1-CH2 4.48Å; I637-W679 HydrophobicContact CD1-CZ2 4.12Å; I637-W679 HydrophobicContact CG2-CZ2 3.77Å; I637-Y683 HydrophobicContact CG2-CD2 3.79Å; I637-Y683 HydrophobicContact CG2-CE2 3.29Å; I637-W864 HydrophobicContact CD1-CZ2 4.34Å
638	T	92.8	Very high	79.3	Confident	17 Å²	17	53.3 Å²	53.3	10%	0.104	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.5	178.8	53.3	0	0	0	0	111.2	L514 S640 G652 V654	L514-T638 HydrophobicContact CD2-CG2 4.17Å; T638-S640 PolarHBondContact O-N 3.32Å; T638-G652 PolarHBondContact N-O 3.35Å; T638-G652 WeakPolarHBondContact OG1-CA 3.31Å; T638-G652 PolarHBondContact OG1-N 2.69Å; T638-G652 PolarHBondContact OG1-O 3.37Å; T638-V654 HydrophobicContact CG2-CG2 4.4Å
639	I	88.4	Confident	79.5	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.067	29%	0.288	C	S	.	.			trans	-68.8	125.1	169.4	-55	174.1	0	0	0	107.7	H513 E515 D641 N643	H513-I639 PolarHBondContact O-N 2.75Å; E515-I639 HydrophobicContact CB-CD1 4.33Å; E515-I639 HydrophobicContact CB-CG1 4.18Å; E515-I639 HydrophobicContact CG-CG1 3.88Å; I639-D641 VanDerWaalsContact C-N 3.35Å; I639-D641 PolarHBondContact O-N 3.4Å; I639-N643 PolarHBondContact O-ND2 2.9Å
640	S	69.9	Low	79.8	Confident	16 Å²	16	54.2 Å²	54.2	11%	0.112	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.8	-159.8	64.9	0	0	0	0	115.7	T638 Q644 P862 Y863	T638-S640 PolarHBondContact O-N 3.32Å; S640-Q644 WeakPolarHBondContact O-CG 3.42Å; S640-Q644 PolarHBondContact O-NE2 3.12Å; S640-P862 WeakPolarHBondContact OG-CA 3.5Å; S640-Y863 PolarHBondContact OG-N 3.04Å
641	D	59.3	Low	80.4	Confident	43 Å²	43	52.5 Å²	52.5	23%	0.23	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-28.7	-169.3	68.2	-7.4	0	0	0	114.8	I639 S860	I639-D641 VanDerWaalsContact C-N 3.35Å; I639-D641 PolarHBondContact O-N 3.4Å; D641-S860 WeakPolarHBondContact CB-OG 3.28Å; D641-S860 VanDerWaalsContact CG-OG 3.28Å; D641-S860 PolarHBondContact OD2-N 3.46Å; D641-S860 PolarHBondContact OD2-OG 3.34Å
642	Q	53.1	Low	81.1	Confident	110 Å²	110	47.1 Å²	47.1	51%	0.514	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-23.7	179.4	-71.6	169.6	76.9	0	0	113.6	H513 Q644	H513-Q642 PolarHBondContact CE1-OE1 2.68Å; Q642-Q644 PolarHBondContact O-N 2.97Å
643	N	53.3	Low	81.8	Confident	28 Å²	28	42.4 Å²	42.4	15%	0.15	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-73.2	-5.2	-177.3	-76.8	-45	0	0	0	115.6	H513 I639 T645 E646 S647	H513-N643 WeakPolarHBondContact CB-ND2 3.15Å; H513-N643 WeakPolarHBondContact CB-OD1 3.39Å; H513-N643 PolarHBondContact O-ND2 2.89Å; H513-N643 VanDerWaalsContact O-ND2 3.08Å; I639-N643 PolarHBondContact O-ND2 2.9Å; N643-T645 PolarHBondContact O-N 3.24Å; N643-T645 VanDerWaalsContact O-N 3.17Å; N643-E646 PolarHBondContact O-N 3.47Å; N643-S647 WeakPolarHBondContact O-CB 3.39Å; N643-S647 PolarHBondContact O-N 3.2Å; N643-S647 PolarHBondContact O-OG 3.2Å
644	Q	52.8	Low	82.1	Confident	138 Å²	138	42 Å²	42	65%	0.645	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-66.7	-16.4	-172.3	-59.8	-173.2	19.9	0	0	114.2	S640 Q642	S640-Q644 WeakPolarHBondContact O-CG 3.42Å; S640-Q644 PolarHBondContact O-NE2 3.12Å; Q642-Q644 PolarHBondContact O-N 2.97Å
645	T	54.8	Low	82.2	Confident	134 Å²	134	39.7 Å²	39.7	82%	0.822	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-80.7	-26	179.1	50.5	0	0	0	0	113.6	N643	N643-T645 PolarHBondContact O-N 3.24Å; N643-T645 VanDerWaalsContact O-N 3.17Å
646	E	81	Confident	82	Confident	120 Å²	120	39.6 Å²	39.6	56%	0.561	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-28.6	177.5	-73.8	-158.7	-179	0	0	114.2	R592 W598 N643	R592-E646 IonicContact CZ-OE2 2.88Å; R592-E646 IonicContact NH1-OE2 2.81Å; R592-E646 PolarHBondContact NH1-OE2 3.4Å; R592-E646 IonicContact NH2-OE2 3.1Å; W598-E646 PolarHBondContact NE1-O 2.8Å; N643-E646 PolarHBondContact O-N 3.47Å
647	S	86.4	Confident	81.7	Confident	16 Å²	16	40.7 Å²	40.7	11%	0.112	22%	0.22	C	C	.	.			trans	-87.5	129	-173.6	-60.4	0	0	0	0	111.5	N643 T649	N643-S647 WeakPolarHBondContact O-CB 3.39Å; N643-S647 PolarHBondContact O-N 3.2Å; N643-S647 PolarHBondContact O-OG 3.2Å; S647-T649 PolarHBondContact O-N 3.01Å
648	P	91.8	Very high	80.8	Confident	56 Å²	56	41 Å²	41	36%	0.364	22%	0.222	S	C	.	.	S	Bend	trans	-61.2	-17.7	-179.2	-27.1	35.9	0	0	0	115.4	Y590 W598	Y590-P648 HydrophobicContact CD1-CB 3.61Å; Y590-P648 HydrophobicContact CD1-CG 3.8Å; Y590-P648 HydrophobicContact CD2-CB 4.32Å; Y590-P648 HydrophobicContact CE1-CB 3.95Å; Y590-P648 HydrophobicContact CG-CB 3.82Å; Y590-P648 HydrophobicContact CG-CG 4.06Å; W598-P648 HydrophobicContact CB-CG 3.96Å; W598-P648 HydrophobicContact CD2-CG 3.77Å; W598-P648 VanDerWaalsContact CE2-CD 3.46Å; W598-P648 HydrophobicContact CE3-CG 4.14Å; W598-P648 HydrophobicContact CG-CG 3.69Å
649	T	92.4	Very high	79.6	Confident	20 Å²	20	42.8 Å²	42.8	12%	0.123	24%	0.235	C	C	.	.	S	Bend	trans	-152.9	152.6	-177.9	55.6	0	0	0	0	109.3	Y590 S647 F651 C672 A673	Y590-T649 HydrophobicContact CE2-CG2 4.46Å; S647-T649 PolarHBondContact O-N 3.01Å; T649-F651 PolarHBondContact O-N 2.84Å; T649-C672 WeakPolarHBondContact OG1-CB 3.21Å; T649-C672 PolarHBondContact OG1-SG 3Å; T649-A673 WeakPolarHBondContact CB-O 3.37Å; T649-A673 WeakPolarHBondContact CG2-O 3.42Å; T649-A673 PolarHBondContact OG1-O 3.12Å; T649-A673 VanDerWaalsContact OG1-O 3.12Å
650	P	91.5	Very high	77.9	Confident	59 Å²	59	44.3 Å²	44.3	38%	0.383	25%	0.245	S	C	.	.	S	Bend	trans	-69.1	-13.9	174.1	30.4	-36.3	0	0	0	113.6	G652	P650-G652 PolarHBondContact O-N 2.84Å
651	F	94.3	Very high	77.1	Confident	38 Å²	38	50.7 Å²	50.7	17%	0.167	27%	0.272	C	S	.	.			trans	-83.9	57.4	-176.4	-49.7	-69.5	0	0	0	112.4	T649 A673 E676 W679 Y863	T649-F651 PolarHBondContact O-N 2.84Å; F651-A673 HydrophobicContact CB-CB 4.15Å; F651-A673 PolarHBondContact O-N 3.05Å; F651-E676 HydrophobicContact CD1-CB 4.11Å; F651-E676 HydrophobicContact CD1-CG 4.23Å; F651-E676 HydrophobicContact CE1-CB 3.55Å; F651-E676 HydrophobicContact CE1-CG 3.87Å; F651-E676 HydrophobicContact CZ-CB 4.13Å; F651-W679 HydrophobicContact CB-CB 3.95Å; F651-W679 HydrophobicContact CB-CG 4.03Å; F651-W679 HydrophobicContact CD1-CB 4.45Å; F651-W679 HydrophobicContact CG-CB 4.47Å; F651-Y863 AromaticContact CE1-CE1 3.75Å; F651-Y863 HydrophobicContact CE1-CE1 3.75Å
652	G	94.1	Very high	76.8	Confident	1 Å²	1	58 Å²	58	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149.5	-177.6	0	0	0	0	0	114.5	T638 P650 M671 W679	T638-G652 PolarHBondContact N-O 3.35Å; T638-G652 WeakPolarHBondContact OG1-CA 3.31Å; T638-G652 PolarHBondContact OG1-N 2.69Å; T638-G652 PolarHBondContact OG1-O 3.37Å; P650-G652 PolarHBondContact O-N 2.84Å; G652-M671 CarbonylContact C-O 3.57Å; G652-M671 VanDerWaalsContact CA-O 3.31Å; G652-M671 WeakPolarHBondContact CA-O 3.1Å; G652-W679 PolarHBondContact O-NE1 3.32Å
653	M	95.9	Very high	77.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.3	170.5	-53	174.9	-63.6	0	0	109	L635 Y636 M671 W682 Y683 L686	L635-M653 HydrophobicContact CD1-CB 4.15Å; Y636-M653 CarbonylContact O-C 3.57Å; Y636-M653 VanDerWaalsContact O-CA 3.26Å; Y636-M653 WeakPolarHBondContact O-CA 3.26Å; M653-M671 HydrophobicContact CB-CB 4.46Å; M653-M671 HydrophobicContact CB-CE 4.46Å; M653-M671 HydrophobicContact CE-CB 3.96Å; M653-M671 HydrophobicContact CE-CE 4.28Å; M653-M671 HydrophobicContact CE-SD 4.47Å; M653-M671 PolarHBondContact N-O 3.46Å; M653-M671 PolarHBondContact O-N 2.76Å; M653-M671 VanDerWaalsContact O-O 3.14Å; M653-W682 HydrophobicContact CE-CB 3.84Å; M653-W682 HydrophobicContact SD-CB 4.34Å; M653-Y683 HydrophobicContact CG-CD2 4.39Å; M653-Y683 HydrophobicContact SD-CD2 4.1Å; M653-L686 HydrophobicContact CE-CD1 4.05Å; M653-L686 HydrophobicContact SD-CD1 4.3Å
654	V	94.4	Very high	78.4	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.9	177.1	-173.4	0	0	0	0	110.5	L514 Y636 T638 R656 I668 I669 E670	L514-V654 HydrophobicContact CD1-CB 4.22Å; L514-V654 HydrophobicContact CD1-CG1 4.4Å; L514-V654 HydrophobicContact CD1-CG2 4.39Å; L514-V654 HydrophobicContact CD2-CB 4.19Å; L514-V654 HydrophobicContact CD2-CG2 3.62Å; Y636-V654 PolarHBondContact N-O 3.35Å; Y636-V654 PolarHBondContact O-N 3.04Å; T638-V654 HydrophobicContact CG2-CG2 4.4Å; V654-R656 HydrophobicContact CG1-CB 4.28Å; V654-R656 HydrophobicContact CG1-CG 4.08Å; V654-I668 HydrophobicContact CG1-CG2 4.1Å; V654-I669 WeakPolarHBondContact CA-O 3.49Å; V654-E670 HydrophobicContact CG1-CG 3.93Å; V654-E670 HydrophobicContact CG2-CB 4.29Å; V654-E670 HydrophobicContact CG2-CG 3.89Å
655	V	94.4	Very high	79.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.8	165.3	176.1	0	0	0	0	108.3	I628 L633 Y634 L635 I669 M671	I628-V655 HydrophobicContact CB-CG1 4.06Å; I628-V655 HydrophobicContact CB-CG2 4.37Å; I628-V655 HydrophobicContact CG2-CB 4.36Å; I628-V655 HydrophobicContact CG2-CG1 4.25Å; I628-V655 HydrophobicContact CG2-CG2 4.46Å; L633-V655 HydrophobicContact CB-CG1 3.89Å; L633-V655 HydrophobicContact CD1-CG1 3.99Å; L633-V655 HydrophobicContact CG-CG1 4.41Å; Y634-V655 WeakPolarHBondContact O-CA 3.26Å; L635-V655 HydrophobicContact CD1-CG2 3.59Å; V655-I669 PolarHBondContact N-O 2.66Å; V655-I669 PolarHBondContact O-N 3.01Å; V655-M671 HydrophobicContact CG2-CE 3.7Å
656	R	91.4	Very high	80.9	Confident	12 Å²	12	53.9 Å²	53.9	5%	0.045	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	162	179.8	54.4	160.3	-69.8	-151.8	-7.7	113.5	L512 Y634 Y636 V654 H658 I668	L512-R656 VanDerWaalsContact CD1-NH1 3.3Å; Y634-R656 PolarHBondContact N-O 3.05Å; Y634-R656 PolarHBondContact O-N 3.39Å; Y634-R656 VanDerWaalsContact O-N 3.11Å; Y636-R656 HydrophobicContact CD2-CG 3.62Å; Y636-R656 HydrophobicContact CE2-CG 3.81Å; V654-R656 HydrophobicContact CG1-CB 4.28Å; V654-R656 HydrophobicContact CG1-CG 4.08Å; R656-H658 PolarHBondContact NH2-O 3.24Å; R656-I668 HydrophobicContact CB-CG1 4.22Å; R656-I668 HydrophobicContact CB-CG2 4.49Å
657	P	87.3	Confident	81.1	Confident	24 Å²	24	50.6 Å²	50.6	16%	0.156	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.7	166	-18.6	31.6	0	0	0	112.5	N632 L633 A663 L667	N632-P657 WeakPolarHBondContact O-CA 3.33Å; L633-P657 HydrophobicContact CD2-CB 4.44Å; L633-P657 HydrophobicContact CD2-CG 3.67Å; P657-A663 HydrophobicContact CB-CB 4.36Å; P657-A663 HydrophobicContact CG-CB 4.02Å; P657-L667 HydrophobicContact CG-CB 4.21Å; P657-L667 HydrophobicContact CG-CD1 4.24Å
658	H	77.5	Confident	81.3	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.046	27%	0.272	C	S	.	.	S	Bend	trans	-66.5	-49.4	179.9	-174.8	-100.6	0	0	0	113.3	E507 Y527 S530 W531 Y634 Y636 R656	E507-H658 IonicContact OE1-CD2 3.24Å; E507-H658 IonicContact OE1-NE2 2.88Å; E507-H658 PolarHBondContact OE1-NE2 2.85Å; E507-H658 IonicContact OE2-CD2 2.7Å; E507-H658 IonicContact OE2-NE2 3.26Å; Y527-H658 AromaticContact CD1-CD2 4Å; Y527-H658 AromaticContact CD1-NE2 3.65Å; Y527-H658 PolarHBondContact O-CE1 3Å; Y527-H658 VanDerWaalsContact O-CE1 3.3Å; S530-H658 PolarHBondContact OG-CE1 3.29Å; S530-H658 VanDerWaalsContact OG-CE1 3.26Å; S530-H658 PolarHBondContact OG-ND1 3.22Å; W531-H658 AromaticContact CD1-CE1 3.21Å; W531-H658 AromaticContact CD1-ND1 3.97Å; W531-H658 AromaticContact CD1-NE2 3.84Å; W531-H658 AromaticContact NE1-CE1 3.15Å; W531-H658 PolarHBondContact NE1-CE1 3.15Å; W531-H658 AromaticContact NE1-NE2 3.29Å; W531-H658 PolarHBondContact NE1-NE2 3.3Å; Y634-H658 HydrophobicContact CD2-CB 3.78Å; Y634-H658 HydrophobicContact CE2-CB 3.7Å; Y636-H658 PolarHBondContact OH-CD2 3.3Å; Y636-H658 VanDerWaalsContact OH-CD2 3.3Å; R656-H658 PolarHBondContact NH2-O 3.24Å
659	S	67.1	Low	81.3	Confident	54 Å²	54	49.6 Å²	49.6	38%	0.378	26%	0.257	S	S	.	.	S	Bend	trans	-71.3	148.7	-175.6	-163.6	0	0	0	0	113.2	S530	S530-S659 PolarHBondContact O-OG 3.26Å
660	T	54	Low	81.4	Confident	45 Å²	45	50 Å²	50	28%	0.276	26%	0.258	S	S	.	.			trans	-104.7	18.5	-165.3	51.9	0	0	0	0	114.4	K532	K532-T660 VanDerWaalsContact CD-OG1 3.28Å; K532-T660 WeakPolarHBondContact CD-OG1 3.44Å; K532-T660 WeakPolarHBondContact CE-O 3.22Å; K532-T660 WeakPolarHBondContact CE-OG1 3.32Å; K532-T660 WeakPolarHBondContact CG-OG1 3.32Å; K532-T660 PolarHBondContact NZ-O 3.24Å
661	Q	51.6	Low	81.6	Confident	149 Å²	149	47.3 Å²	47.3	70%	0.696	24%	0.24	S	C	*	.	S	Bend	trans	-103	106.2	172.2	-102.3	171.3	8.5	0	0	110.6	A663	Q661-A663 VanDerWaalsContact C-N 3.26Å; Q661-A663 PolarHBondContact O-N 3.31Å; Q661-A663 VanDerWaalsContact O-N 3.08Å
662	Q	54.7	Low	81.7	Confident	198 Å²	198	45.5 Å²	45.5	93%	0.925	23%	0.232	S	C	*	.			trans	46.4	44.8	168.8	-65.3	176.8	-35.1	0	0	114.3	D664	Q662-D664 PolarHBondContact O-N 2.89Å; Q662-D664 VanDerWaalsContact O-N 3.13Å
663	A	63.1	Low	81.8	Confident	35 Å²	35	45.5 Å²	45.5	29%	0.289	23%	0.231	S	C	.	.			trans	-53.9	121.3	164.8	0	0	0	0	0	108.2	P657 Q661 S665 I668	P657-A663 HydrophobicContact CB-CB 4.36Å; P657-A663 HydrophobicContact CG-CB 4.02Å; Q661-A663 VanDerWaalsContact C-N 3.26Å; Q661-A663 PolarHBondContact O-N 3.31Å; Q661-A663 VanDerWaalsContact O-N 3.08Å; A663-S665 PolarHBondContact O-N 2.82Å; A663-S665 VanDerWaalsContact O-N 3.16Å; A663-I668 HydrophobicContact CB-CD1 4.46Å
664	D	75.7	Confident	81.7	Confident	57 Å²	57	48.3 Å²	48.3	31%	0.305	25%	0.246	S	C	.	.			trans	-52.6	123.1	177.2	178.3	-11.1	0	0	0	108.4	Q662 R666 L667	Q662-D664 PolarHBondContact O-N 2.89Å; Q662-D664 VanDerWaalsContact O-N 3.13Å; D664-R666 PolarHBondContact O-N 3.44Å; D664-R666 VanDerWaalsContact OD1-CB 3.29Å; D664-R666 WeakPolarHBondContact OD1-CB 3.5Å; D664-R666 VanDerWaalsContact OD1-CG 3.28Å; D664-R666 WeakPolarHBondContact OD1-CG 3.48Å; D664-R666 PolarHBondContact OD1-N 2.98Å; D664-R666 IonicContact OD1-NE 3.58Å; D664-R666 PolarHBondContact OD1-NE 3.3Å; D664-R666 VanDerWaalsContact OD1-NE 3.1Å; D664-R666 IonicContact OD2-CZ 3.86Å; D664-R666 IonicContact OD2-NE 2.82Å; D664-R666 PolarHBondContact OD2-NE 3.14Å; D664-R666 IonicContact OD2-NH2 2.85Å; D664-R666 PolarHBondContact OD2-NH2 3.36Å; D664-L667 HydrophobicContact CB-CD1 4.1Å; D664-L667 HydrophobicContact CB-CG 4.11Å; D664-L667 WeakPolarHBondContact O-CB 3.5Å; D664-L667 PolarHBondContact O-N 3.24Å
665	S	79.2	Confident	81.8	Confident	48 Å²	48	51.4 Å²	51.4	34%	0.336	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-61.5	-21.5	-174.4	65.1	0	0	0	0	112	G594 A663 L667 I668	G594-S665 WeakPolarHBondContact CA-O 3.43Å; G594-S665 PolarHBondContact N-O 2.76Å; G594-S665 VanDerWaalsContact N-O 3.13Å; A663-S665 PolarHBondContact O-N 2.82Å; A663-S665 VanDerWaalsContact O-N 3.16Å; S665-L667 PolarHBondContact O-N 3.2Å; S665-I668 PolarHBondContact O-N 2.94Å; S665-I668 VanDerWaalsContact O-N 3.15Å
666	R	81.3	Confident	81.8	Confident	183 Å²	183	53.5 Å²	53.5	69%	0.691	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.6	172.6	-57.6	177.5	-65.5	177.8	4	113.5	D664	D664-R666 PolarHBondContact O-N 3.44Å; D664-R666 VanDerWaalsContact OD1-CB 3.29Å; D664-R666 WeakPolarHBondContact OD1-CB 3.5Å; D664-R666 VanDerWaalsContact OD1-CG 3.28Å; D664-R666 WeakPolarHBondContact OD1-CG 3.48Å; D664-R666 PolarHBondContact OD1-N 2.98Å; D664-R666 IonicContact OD1-NE 3.58Å; D664-R666 PolarHBondContact OD1-NE 3.3Å; D664-R666 VanDerWaalsContact OD1-NE 3.1Å; D664-R666 IonicContact OD2-CZ 3.86Å; D664-R666 IonicContact OD2-NE 2.82Å; D664-R666 PolarHBondContact OD2-NE 3.14Å; D664-R666 IonicContact OD2-NH2 2.85Å; D664-R666 PolarHBondContact OD2-NH2 3.36Å
667	L	85	Confident	82	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.267	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-90.4	-6.6	174.8	-57.3	177.6	0	0	0	113.2	L633 P657 D664 S665	L633-L667 HydrophobicContact CD2-CB 4.39Å; P657-L667 HydrophobicContact CG-CB 4.21Å; P657-L667 HydrophobicContact CG-CD1 4.24Å; D664-L667 HydrophobicContact CB-CD1 4.1Å; D664-L667 HydrophobicContact CB-CG 4.11Å; D664-L667 WeakPolarHBondContact O-CB 3.5Å; D664-L667 PolarHBondContact O-N 3.24Å; S665-L667 PolarHBondContact O-N 3.2Å
668	I	90.1	Very high	82.4	Confident	43 Å²	43	57.2 Å²	57.2	22%	0.221	29%	0.289	C	S	.	.			trans	-96.1	109.7	175	-56.2	178	0	0	0	107.6	G594 V654 R656 A663 S665 E670	G594-I668 PolarHBondContact N-O 3.49Å; V654-I668 HydrophobicContact CG1-CG2 4.1Å; R656-I668 HydrophobicContact CB-CG1 4.22Å; R656-I668 HydrophobicContact CB-CG2 4.49Å; A663-I668 HydrophobicContact CB-CD1 4.46Å; S665-I668 PolarHBondContact O-N 2.94Å; S665-I668 VanDerWaalsContact O-N 3.15Å; I668-E670 HydrophobicContact CG2-CG 4.32Å
669	I	92.6	Very high	83.3	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	104.8	-177.2	-68.9	160	0	0	0	107.9	I593 L626 I628 V654 V655 M671	I593-I669 HydrophobicContact CG1-CG1 4.26Å; I593-I669 HydrophobicContact CG2-CG1 4.06Å; L626-I669 HydrophobicContact CB-CD1 4.23Å; L626-I669 HydrophobicContact CD1-CD1 4.06Å; L626-I669 HydrophobicContact CD1-CG2 4.15Å; I628-I669 HydrophobicContact CG2-CB 4.4Å; I628-I669 HydrophobicContact CG2-CD1 3.48Å; I628-I669 VanDerWaalsContact CG2-CD1 3.48Å; I628-I669 HydrophobicContact CG2-CG2 4.33Å; V654-I669 WeakPolarHBondContact CA-O 3.49Å; V655-I669 PolarHBondContact N-O 2.66Å; V655-I669 PolarHBondContact O-N 3.01Å; I669-M671 HydrophobicContact CG2-CG 4.02Å; I669-M671 HydrophobicContact CG2-SD 4.26Å
670	E	94.2	Very high	84.7	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.7	177.8	-57.7	176.7	-138.9	0	0	109.5	L591 R592 W598 V654 I668	L591-E670 WeakPolarHBondContact CA-O 3.29Å; R592-E670 HydrophobicContact CB-CB 4.14Å; R592-E670 HydrophobicContact CG-CB 4.21Å; R592-E670 HydrophobicContact CG-CG 4.42Å; R592-E670 IonicContact CZ-OE1 2.93Å; R592-E670 VanDerWaalsContact CZ-OE1 3.26Å; R592-E670 IonicContact CZ-OE2 2.8Å; R592-E670 PolarHBondContact N-O 3.11Å; R592-E670 IonicContact NE-OE1 3.99Å; R592-E670 PolarHBondContact NE-OE1 2.9Å; R592-E670 IonicContact NE-OE2 2.67Å; R592-E670 PolarHBondContact NE-OE2 2.84Å; R592-E670 IonicContact NH2-OE1 3.82Å; R592-E670 PolarHBondContact NH2-OE1 3.38Å; R592-E670 IonicContact NH2-OE2 3.19Å; R592-E670 PolarHBondContact NH2-OE2 3.47Å; R592-E670 PolarHBondContact O-N 2.99Å; W598-E670 HydrophobicContact CH2-CB 3.7Å; W598-E670 HydrophobicContact CZ2-CB 4.37Å; W598-E670 HydrophobicContact CZ3-CB 4.2Å; V654-E670 HydrophobicContact CG1-CG 3.93Å; V654-E670 HydrophobicContact CG2-CB 4.29Å; V654-E670 HydrophobicContact CG2-CG 3.89Å; I668-E670 HydrophobicContact CG2-CG 4.32Å
671	M	95.7	Very high	86.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135	-170.5	-58.9	-175.3	-81.8	0	0	109.1	L589 Y590 L591 F610 L635 G652 M653 V655 I669 L686	L589-M671 HydrophobicContact CD1-CB 4.44Å; L589-M671 HydrophobicContact CD1-SD 4.34Å; Y590-M671 CarbonylContact O-C 3.51Å; Y590-M671 WeakPolarHBondContact O-CA 3.46Å; L591-M671 HydrophobicContact CD2-CB 4.22Å; L591-M671 HydrophobicContact CD2-CG 3.65Å; L591-M671 HydrophobicContact CD2-SD 4.41Å; F610-M671 HydrophobicContact CE2-SD 4.37Å; F610-M671 HydrophobicContact CZ-SD 3.93Å; L635-M671 HydrophobicContact CD1-CE 4.2Å; G652-M671 CarbonylContact C-O 3.57Å; G652-M671 VanDerWaalsContact CA-O 3.31Å; G652-M671 WeakPolarHBondContact CA-O 3.1Å; M653-M671 HydrophobicContact CB-CB 4.46Å; M653-M671 HydrophobicContact CB-CE 4.46Å; M653-M671 HydrophobicContact CE-CB 3.96Å; M653-M671 HydrophobicContact CE-CE 4.28Å; M653-M671 HydrophobicContact CE-SD 4.47Å; M653-M671 PolarHBondContact N-O 3.46Å; M653-M671 PolarHBondContact O-N 2.76Å; M653-M671 VanDerWaalsContact O-O 3.14Å; V655-M671 HydrophobicContact CG2-CE 3.7Å; I669-M671 HydrophobicContact CG2-CG 4.02Å; I669-M671 HydrophobicContact CG2-SD 4.26Å; M671-L686 HydrophobicContact CE-CD1 3.77Å; M671-L686 HydrophobicContact SD-CD1 4.34Å
672	C	95.5	Very high	88.9	Confident	1 Å²	1	49 Å²	49	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117.6	-179.3	-97	0	0	0	0	109.1	Y590 W598 T649	Y590-C672 PolarHBondContact N-O 2.97Å; Y590-C672 PolarHBondContact O-N 3.41Å; W598-C672 HydrophobicContact CH2-CB 4.23Å; W598-C672 HydrophobicContact CZ3-CB 3.92Å; T649-C672 WeakPolarHBondContact OG1-CB 3.21Å; T649-C672 PolarHBondContact OG1-SG 3Å
673	A	96.6	Very high	90.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	149.1	-178.3	0	0	0	0	0	111.6	L589 T649 F651 N675 W679	L589-A673 HydrophobicContact CD2-CB 3.83Å; T649-A673 WeakPolarHBondContact CB-O 3.37Å; T649-A673 WeakPolarHBondContact CG2-O 3.42Å; T649-A673 PolarHBondContact OG1-O 3.12Å; T649-A673 VanDerWaalsContact OG1-O 3.12Å; F651-A673 HydrophobicContact CB-CB 4.15Å; F651-A673 PolarHBondContact O-N 3.05Å; A673-N675 VanDerWaalsContact C-N 3.3Å; A673-N675 PolarHBondContact O-N 3.26Å; A673-W679 HydrophobicContact CB-CB 3.84Å
674	I	94.9	Very high	92.4	Very high	60 Å²	60	38.1 Å²	38.1	31%	0.308	18%	0.181	S	C	.	.	S	Bend	trans	-65.7	-34.4	-173.3	-66.9	165	0	0	0	112.1	Q588 Y590	Q588-I674 HydrophobicContact CB-CD1 3.68Å; Q588-I674 WeakPolarHBondContact O-CD1 3.1Å; Y590-I674 HydrophobicContact CE2-CG1 4.13Å
675	N	95.2	Very high	93.4	Very high	72 Å²	72	35.4 Å²	35.4	39%	0.385	17%	0.166	S	C	.	.	S	Bend	trans	-149.3	174.7	179.8	64.6	15.2	0	0	0	110.9	A673 E677 S678 W679	A673-N675 VanDerWaalsContact C-N 3.3Å; A673-N675 PolarHBondContact O-N 3.26Å; N675-E677 VanDerWaalsContact C-N 3.33Å; N675-E677 PolarHBondContact O-N 3.04Å; N675-E677 PolarHBondContact OD1-N 2.59Å; N675-S678 PolarHBondContact O-N 3.31Å; N675-S678 WeakPolarHBondContact OD1-CB 3.48Å; N675-S678 PolarHBondContact OD1-N 3.45Å; N675-W679 PolarHBondContact O-N 2.92Å
676	E	94.7	Very high	94.1	Very high	43 Å²	43	33.1 Å²	33.1	20%	0.201	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-36	-179.1	-154.3	-155.1	166.4	0	0	112.9	F651 W679 R680 Y863	F651-E676 HydrophobicContact CD1-CB 4.11Å; F651-E676 HydrophobicContact CD1-CG 4.23Å; F651-E676 HydrophobicContact CE1-CB 3.55Å; F651-E676 HydrophobicContact CE1-CG 3.87Å; F651-E676 HydrophobicContact CZ-CB 4.13Å; E676-W679 WeakPolarHBondContact O-CB 3.47Å; E676-W679 PolarHBondContact O-N 3.2Å; E676-R680 WeakPolarHBondContact O-CG 3.48Å; E676-R680 PolarHBondContact O-N 2.96Å; E676-R680 IonicContact OE1-CZ 2.84Å; E676-R680 IonicContact OE1-NE 3.42Å; E676-R680 PolarHBondContact OE1-NE 3.23Å; E676-R680 IonicContact OE1-NH2 2.69Å; E676-R680 PolarHBondContact OE1-NH2 2.93Å; E676-R680 IonicContact OE2-CZ 2.62Å; E676-R680 IonicContact OE2-NE 2.76Å; E676-R680 IonicContact OE2-NH2 3.19Å; E676-R680 PolarHBondContact OE2-NH2 3.01Å; E676-R680 VanDerWaalsContact OE2-NH2 3.13Å; E676-Y863 WeakPolarHBondContact CG-OH 3.26Å; E676-Y863 PolarHBondContact OE2-OH 3.28Å
677	E	95.7	Very high	94.7	Very high	110 Å²	110	24.6 Å²	24.6	51%	0.514	12%	0.118	S	C	.	.	H	α-helix	trans	-65	-46.6	-179.3	-164	-159.8	146.3	0	0	111.5	N675 W679 R680 K681	N675-E677 VanDerWaalsContact C-N 3.33Å; N675-E677 PolarHBondContact O-N 3.04Å; N675-E677 PolarHBondContact OD1-N 2.59Å; E677-W679 VanDerWaalsContact C-N 3.32Å; E677-W679 PolarHBondContact O-N 2.87Å; E677-R680 PolarHBondContact O-N 3.44Å; E677-K681 WeakPolarHBondContact O-CG 3.22Å; E677-K681 PolarHBondContact O-N 3.34Å; E677-K681 VanDerWaalsContact O-N 3.11Å; E677-K681 WeakPolarHBondContact OE1-CE 3.27Å; E677-K681 IonicContact OE1-NZ 3.05Å; E677-K681 PolarHBondContact OE1-NZ 2.95Å
678	S	96.4	Very high	95	Very high	5 Å²	5	22.3 Å²	22.3	4%	0.035	11%	0.106	C	C	.	.	H	α-helix	trans	-58.7	-44.7	172	176.5	0	0	0	0	110.5	D587 N675 K681 W682	D587-S678 WeakPolarHBondContact OD2-CB 3.41Å; D587-S678 PolarHBondContact OD2-OG 2.78Å; N675-S678 PolarHBondContact O-N 3.31Å; N675-S678 WeakPolarHBondContact OD1-CB 3.48Å; N675-S678 PolarHBondContact OD1-N 3.45Å; S678-K681 PolarHBondContact O-N 2.71Å; S678-W682 PolarHBondContact O-N 2.98Å
679	W	96.7	Very high	95	Very high	10 Å²	10	21.7 Å²	21.7	4%	0.038	10%	0.104	C	C	.	.	H	α-helix	trans	-58.9	-49.3	176.7	-177.1	86	0	0	0	113	W557 I637 F651 G652 A673 N675 E676 E677 K681 W682 Y683	W557-W679 HydrophobicContact CH2-CZ3 4.27Å; W557-W679 HydrophobicContact CZ3-CZ3 4.1Å; I637-W679 HydrophobicContact CB-CZ2 4.17Å; I637-W679 HydrophobicContact CD1-CH2 4.48Å; I637-W679 HydrophobicContact CD1-CZ2 4.12Å; I637-W679 HydrophobicContact CG2-CZ2 3.77Å; F651-W679 HydrophobicContact CB-CB 3.95Å; F651-W679 HydrophobicContact CB-CG 4.03Å; F651-W679 HydrophobicContact CD1-CB 4.45Å; F651-W679 HydrophobicContact CG-CB 4.47Å; G652-W679 PolarHBondContact O-NE1 3.32Å; A673-W679 HydrophobicContact CB-CB 3.84Å; N675-W679 PolarHBondContact O-N 2.92Å; E676-W679 WeakPolarHBondContact O-CB 3.47Å; E676-W679 PolarHBondContact O-N 3.2Å; E677-W679 VanDerWaalsContact C-N 3.32Å; E677-W679 PolarHBondContact O-N 2.87Å; W679-K681 VanDerWaalsContact C-N 3.32Å; W679-K681 PolarHBondContact O-N 2.86Å; W679-W682 PolarHBondContact O-N 2.93Å; W679-Y683 WeakPolarHBondContact O-CB 3.24Å; W679-Y683 PolarHBondContact O-N 3.02Å
680	R	96.5	Very high	94.9	Very high	56 Å²	56	23.6 Å²	23.6	21%	0.211	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-42	179	-69.7	-178.1	-170.6	-179.7	2.7	111.3	S556 W557 E676 E677 S684	S556-R680 WeakPolarHBondContact O-CD 3.37Å; S556-R680 PolarHBondContact O-NH1 3.23Å; W557-R680 HydrophobicContact CD2-CB 4.36Å; W557-R680 HydrophobicContact CD2-CG 4.34Å; W557-R680 HydrophobicContact CE3-CB 3.83Å; W557-R680 HydrophobicContact CE3-CG 3.91Å; W557-R680 HydrophobicContact CH2-CG 4.35Å; W557-R680 HydrophobicContact CZ3-CB 4.23Å; W557-R680 HydrophobicContact CZ3-CG 3.92Å; W557-R680 CarbonylContact O-C 3.55Å; E676-R680 WeakPolarHBondContact O-CG 3.48Å; E676-R680 PolarHBondContact O-N 2.96Å; E676-R680 IonicContact OE1-CZ 2.84Å; E676-R680 IonicContact OE1-NE 3.42Å; E676-R680 PolarHBondContact OE1-NE 3.23Å; E676-R680 IonicContact OE1-NH2 2.69Å; E676-R680 PolarHBondContact OE1-NH2 2.93Å; E676-R680 IonicContact OE2-CZ 2.62Å; E676-R680 IonicContact OE2-NE 2.76Å; E676-R680 IonicContact OE2-NH2 3.19Å; E676-R680 PolarHBondContact OE2-NH2 3.01Å; E676-R680 VanDerWaalsContact OE2-NH2 3.13Å; E677-R680 PolarHBondContact O-N 3.44Å; R680-S684 VanDerWaalsContact O-CB 3.25Å; R680-S684 WeakPolarHBondContact O-CB 3.42Å; R680-S684 PolarHBondContact O-N 2.84Å; R680-S684 PolarHBondContact O-OG 3.34Å
681	K	96.4	Very high	94.7	Very high	20 Å²	20	23.6 Å²	23.6	9%	0.087	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-53.8	175.9	-70.9	176	-168.6	179.1	0	111.5	W557 E560 E677 S678 W679 S684 L685	W557-K681 VanDerWaalsContact O-CA 3.29Å; W557-K681 WeakPolarHBondContact O-CA 3.49Å; W557-K681 PolarHBondContact O-N 3.41Å; E560-K681 IonicContact OE1-NZ 3.64Å; E560-K681 WeakPolarHBondContact OE2-CE 3.44Å; E560-K681 IonicContact OE2-NZ 3.58Å; E560-K681 PolarHBondContact OE2-NZ 2.82Å; E677-K681 WeakPolarHBondContact O-CG 3.22Å; E677-K681 PolarHBondContact O-N 3.34Å; E677-K681 VanDerWaalsContact O-N 3.11Å; E677-K681 WeakPolarHBondContact OE1-CE 3.27Å; E677-K681 IonicContact OE1-NZ 3.05Å; E677-K681 PolarHBondContact OE1-NZ 2.95Å; S678-K681 PolarHBondContact O-N 2.71Å; W679-K681 VanDerWaalsContact C-N 3.32Å; W679-K681 PolarHBondContact O-N 2.86Å; K681-S684 PolarHBondContact O-N 2.93Å; K681-L685 WeakPolarHBondContact O-CB 3.32Å; K681-L685 VanDerWaalsContact O-CG 3.27Å; K681-L685 WeakPolarHBondContact O-CG 3.33Å; K681-L685 PolarHBondContact O-N 2.83Å
682	W	96.9	Very high	94.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-46.6	-179.5	-78.5	110.6	0	0	0	112.2	H585 D587 L589 C603 L605 F610 M653 S678 W679 S684 L685 L686	H585-W682 AromaticContact CD2-CD2 3.91Å; H585-W682 AromaticContact CD2-CE2 3.58Å; H585-W682 AromaticContact CD2-CH2 3.82Å; H585-W682 AromaticContact CD2-CZ2 3.55Å; H585-W682 AromaticContact NE2-CE2 3.63Å; H585-W682 AromaticContact NE2-CZ2 3.89Å; H585-W682 AromaticContact NE2-NE1 3.62Å; D587-W682 HydrophobicContact CB-CZ2 4Å; L589-W682 HydrophobicContact CD1-CD2 3.96Å; L589-W682 HydrophobicContact CD1-CE3 4.39Å; L589-W682 HydrophobicContact CD1-CG 4.25Å; L589-W682 HydrophobicContact CD1-CZ2 4.33Å; L589-W682 HydrophobicContact CD2-CG 4.19Å; L589-W682 HydrophobicContact CG-CD2 4.48Å; L589-W682 HydrophobicContact CG-CZ2 4.45Å; C603-W682 HydrophobicContact CB-CH2 3.57Å; C603-W682 HydrophobicContact CB-CZ2 3.74Å; C603-W682 HydrophobicContact CB-CZ3 4.38Å; L605-W682 HydrophobicContact CB-CH2 4.36Å; L605-W682 HydrophobicContact CB-CZ3 3.81Å; L605-W682 HydrophobicContact CD2-CZ3 4.36Å; F610-W682 AromaticContact CD2-CZ3 3.9Å; F610-W682 HydrophobicContact CD2-CZ3 3.9Å; F610-W682 AromaticContact CE2-CE3 3.93Å; F610-W682 HydrophobicContact CE2-CE3 3.93Å; F610-W682 HydrophobicContact CE2-CH2 4.1Å; F610-W682 AromaticContact CE2-CZ3 3.44Å; F610-W682 HydrophobicContact CE2-CZ3 3.44Å; F610-W682 VanDerWaalsContact CE2-CZ3 3.44Å; F610-W682 HydrophobicContact CZ-CZ3 4.49Å; M653-W682 HydrophobicContact CE-CB 3.84Å; M653-W682 HydrophobicContact SD-CB 4.34Å; S678-W682 PolarHBondContact O-N 2.98Å; W679-W682 PolarHBondContact O-N 2.93Å; W682-S684 PolarHBondContact O-N 2.83Å; W682-L685 PolarHBondContact O-N 2.93Å; W682-L686 WeakPolarHBondContact O-CB 3.14Å; W682-L686 WeakPolarHBondContact O-CG 3.2Å; W682-L686 PolarHBondContact O-N 3.11Å
683	Y	96.4	Very high	93.9	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-45.7	178.6	-173.5	-103.9	0	0	0	111.8	D546 W557 L635 I637 M653 W679 R687	D546-Y683 HydrophobicContact CB-CE1 3.95Å; W557-Y683 HydrophobicContact CZ3-CD1 4.5Å; L635-Y683 HydrophobicContact CD2-CD2 3.51Å; L635-Y683 HydrophobicContact CD2-CE2 3.61Å; L635-Y683 HydrophobicContact CD2-CG 4.39Å; L635-Y683 HydrophobicContact CG-CD2 4.16Å; L635-Y683 HydrophobicContact CG-CE2 3.99Å; I637-Y683 HydrophobicContact CG2-CD2 3.79Å; I637-Y683 HydrophobicContact CG2-CE2 3.29Å; M653-Y683 HydrophobicContact CG-CD2 4.39Å; M653-Y683 HydrophobicContact SD-CD2 4.1Å; W679-Y683 WeakPolarHBondContact O-CB 3.24Å; W679-Y683 PolarHBondContact O-N 3.02Å; Y683-R687 VanDerWaalsContact CE1-CD 3.43Å; Y683-R687 HydrophobicContact CE1-CG 4.44Å; Y683-R687 VanDerWaalsContact CZ-CD 3.49Å; Y683-R687 PolarHBondContact O-N 2.97Å
684	S	95.6	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-51.2	177.8	-56.9	0	0	0	0	112	R680 K681 W682 L686 R687 I688	R680-S684 VanDerWaalsContact O-CB 3.25Å; R680-S684 WeakPolarHBondContact O-CB 3.42Å; R680-S684 PolarHBondContact O-N 2.84Å; R680-S684 PolarHBondContact O-OG 3.34Å; K681-S684 PolarHBondContact O-N 2.93Å; W682-S684 PolarHBondContact O-N 2.83Å; S684-L686 VanDerWaalsContact C-N 3.34Å; S684-L686 PolarHBondContact O-N 2.8Å; S684-R687 PolarHBondContact O-N 3.16Å; S684-I688 WeakPolarHBondContact O-CD1 3.24Å; S684-I688 VanDerWaalsContact O-CG1 3.24Å; S684-I688 WeakPolarHBondContact O-CG1 3.41Å; S684-I688 PolarHBondContact O-N 2.81Å
685	L	95.1	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-34.9	-178	-66.6	170.8	0	0	0	112.1	L558 F565 P583 H585 L605 K681 W682 T689	L558-L685 HydrophobicContact CD2-CD2 3.66Å; L558-L685 HydrophobicContact CD2-CG 3.89Å; F565-L685 HydrophobicContact CE2-CD2 3.75Å; F565-L685 HydrophobicContact CZ-CD2 4.36Å; P583-L685 HydrophobicContact CG-CD2 4.08Å; H585-L685 HydrophobicContact CB-CD1 3.46Å; H585-L685 VanDerWaalsContact CB-CD1 3.46Å; L605-L685 HydrophobicContact CD2-CB 3.68Å; K681-L685 WeakPolarHBondContact O-CB 3.32Å; K681-L685 VanDerWaalsContact O-CG 3.27Å; K681-L685 WeakPolarHBondContact O-CG 3.33Å; K681-L685 PolarHBondContact O-N 2.83Å; W682-L685 PolarHBondContact O-N 2.93Å; L685-T689 WeakPolarHBondContact O-CB 3.42Å; L685-T689 PolarHBondContact O-N 2.7Å; L685-T689 PolarHBondContact O-OG1 2.88Å
686	L	95.1	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.7	-43.7	173.5	-71.5	173.6	0	0	0	111.9	L605 F610 I628 F629 L635 M653 M671 W682 S684 T689 L690	L605-L686 HydrophobicContact CD2-CD2 4.38Å; F610-L686 HydrophobicContact CD2-CD2 3.99Å; F610-L686 HydrophobicContact CE2-CD2 4.35Å; I628-L686 HydrophobicContact CD1-CD2 3.52Å; F629-L686 HydrophobicContact CE1-CD2 4.12Å; F629-L686 HydrophobicContact CZ-CD2 4.01Å; L635-L686 HydrophobicContact CD1-CD1 4.34Å; L635-L686 HydrophobicContact CD2-CB 3.89Å; M653-L686 HydrophobicContact CE-CD1 4.05Å; M653-L686 HydrophobicContact SD-CD1 4.3Å; M671-L686 HydrophobicContact CE-CD1 3.77Å; M671-L686 HydrophobicContact SD-CD1 4.34Å; W682-L686 WeakPolarHBondContact O-CB 3.14Å; W682-L686 WeakPolarHBondContact O-CG 3.2Å; W682-L686 PolarHBondContact O-N 3.11Å; S684-L686 VanDerWaalsContact C-N 3.34Å; S684-L686 PolarHBondContact O-N 2.8Å; L686-T689 PolarHBondContact O-N 3.16Å; L686-L690 VanDerWaalsContact O-CB 3.32Å; L686-L690 WeakPolarHBondContact O-CB 3.29Å; L686-L690 WeakPolarHBondContact O-CD1 3.33Å; L686-L690 WeakPolarHBondContact O-CG 3.49Å; L686-L690 PolarHBondContact O-N 3.15Å
687	R	93.6	Very high	93.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.015	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-44.5	173.3	-83.2	-177	67.8	-132.4	4.8	112.3	E519 D546 L547 L635 Y683 S684 T689 L690 I691 L695	E519-R687 IonicContact OE1-CZ 3.49Å; E519-R687 IonicContact OE1-NE 3.76Å; E519-R687 PolarHBondContact OE1-NE 3.46Å; E519-R687 IonicContact OE1-NH2 2.75Å; E519-R687 PolarHBondContact OE1-NH2 3.05Å; E519-R687 IonicContact OE2-CZ 2.86Å; E519-R687 IonicContact OE2-NH2 3.22Å; E519-R687 PolarHBondContact OE2-NH2 2.94Å; D546-R687 PolarHBondContact O-NH1 2.86Å; L547-R687 PolarHBondContact O-NH1 3.42Å; L547-R687 PolarHBondContact O-NH2 3.41Å; L635-R687 HydrophobicContact CD2-CG 4Å; Y683-R687 VanDerWaalsContact CE1-CD 3.43Å; Y683-R687 HydrophobicContact CE1-CG 4.44Å; Y683-R687 VanDerWaalsContact CZ-CD 3.49Å; Y683-R687 PolarHBondContact O-N 2.97Å; S684-R687 PolarHBondContact O-N 3.16Å; R687-T689 VanDerWaalsContact C-N 3.27Å; R687-T689 PolarHBondContact O-N 3.39Å; R687-L690 PolarHBondContact O-N 3.15Å; R687-I691 HydrophobicContact CB-CD1 4.03Å; R687-I691 HydrophobicContact CG-CD1 4.08Å; R687-I691 WeakPolarHBondContact O-CB 3.49Å; R687-I691 WeakPolarHBondContact O-CG1 3.42Å; R687-I691 PolarHBondContact O-N 2.74Å; R687-L695 HydrophobicContact CB-CD2 4.06Å; R687-L695 VanDerWaalsContact NH2-CD1 3.3Å
688	I	91.3	Very high	93.3	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-40.6	174.4	-67.7	163.2	0	0	0	111	L550 L558 F565 I580 S684 G692 L695	L550-I688 HydrophobicContact CD1-CD1 4.3Å; L550-I688 HydrophobicContact CD1-CG1 4.48Å; L558-I688 HydrophobicContact CD2-CD1 4.27Å; F565-I688 HydrophobicContact CD1-CD1 4.27Å; F565-I688 HydrophobicContact CD2-CD1 4.1Å; F565-I688 HydrophobicContact CE1-CD1 4.13Å; F565-I688 HydrophobicContact CE1-CG2 4.04Å; F565-I688 HydrophobicContact CE2-CD1 3.92Å; F565-I688 HydrophobicContact CG-CD1 4.24Å; F565-I688 HydrophobicContact CZ-CD1 3.92Å; F565-I688 HydrophobicContact CZ-CG2 4.09Å; I580-I688 HydrophobicContact CD1-CG2 4.24Å; I580-I688 HydrophobicContact CG2-CG2 4.05Å; S684-I688 WeakPolarHBondContact O-CD1 3.24Å; S684-I688 VanDerWaalsContact O-CG1 3.24Å; S684-I688 WeakPolarHBondContact O-CG1 3.41Å; S684-I688 PolarHBondContact O-N 2.81Å; I688-G692 VanDerWaalsContact O-CA 3.22Å; I688-G692 WeakPolarHBondContact O-CA 3.46Å; I688-G692 PolarHBondContact O-N 3.05Å; I688-L695 HydrophobicContact CG1-CD2 4.08Å
689	T	90.5	Very high	93.3	Very high	29 Å²	29	24.5 Å²	24.5	18%	0.178	12%	0.119	C	C	.	.	H	α-helix	trans	-76.2	-35.5	-179.8	-49.5	0	0	0	0	113.1	I582 L605 F629 L685 L686 R687	I582-T689 HydrophobicContact CD1-CG2 3.56Å; I582-T689 WeakPolarHBondContact CD1-OG1 3.13Å; L605-T689 HydrophobicContact CD1-CG2 4.49Å; F629-T689 HydrophobicContact CD1-CG2 3.69Å; F629-T689 HydrophobicContact CD2-CG2 4.02Å; F629-T689 HydrophobicContact CE1-CG2 3.33Å; F629-T689 HydrophobicContact CE2-CG2 3.66Å; F629-T689 HydrophobicContact CG-CG2 4.04Å; F629-T689 HydrophobicContact CZ-CG2 3.31Å; L685-T689 WeakPolarHBondContact O-CB 3.42Å; L685-T689 PolarHBondContact O-N 2.7Å; L685-T689 PolarHBondContact O-OG1 2.88Å; L686-T689 PolarHBondContact O-N 3.16Å; R687-T689 VanDerWaalsContact C-N 3.27Å; R687-T689 PolarHBondContact O-N 3.39Å
690	L	89.6	Confident	93.1	Very high	47 Å²	47	25.5 Å²	25.5	25%	0.246	12%	0.124	C	C	.	.	H	α-helix	trans	-75.1	-38	179.7	-79.2	162.2	0	0	0	113.3	I628 F629 L635 L686 R687	I628-L690 WeakPolarHBondContact O-CD2 3.15Å; F629-L690 HydrophobicContact CD1-CD2 3.71Å; F629-L690 HydrophobicContact CD1-CG 3.82Å; F629-L690 HydrophobicContact CE1-CD2 4.33Å; F629-L690 HydrophobicContact CE1-CG 4.02Å; L635-L690 HydrophobicContact CB-CD1 3.79Å; L635-L690 HydrophobicContact CD2-CD1 4.43Å; L686-L690 VanDerWaalsContact O-CB 3.32Å; L686-L690 WeakPolarHBondContact O-CB 3.29Å; L686-L690 WeakPolarHBondContact O-CD1 3.33Å; L686-L690 WeakPolarHBondContact O-CG 3.49Å; L686-L690 PolarHBondContact O-N 3.15Å; R687-L690 PolarHBondContact O-N 3.15Å
691	I	89.7	Confident	93.1	Very high	31 Å²	31	26 Å²	26	16%	0.159	13%	0.133	C	C	.	.	H	α-helix	trans	-106	-24.1	-169.4	-53.1	161	0	0	0	111.1	E519 R687 R694 L695	E519-I691 HydrophobicContact CG-CD1 3.94Å; E519-I691 WeakPolarHBondContact OE1-CD1 3.4Å; R687-I691 HydrophobicContact CB-CD1 4.03Å; R687-I691 HydrophobicContact CG-CD1 4.08Å; R687-I691 WeakPolarHBondContact O-CB 3.49Å; R687-I691 WeakPolarHBondContact O-CG1 3.42Å; R687-I691 PolarHBondContact O-N 2.74Å; I691-R694 HydrophobicContact CG2-CB 4.06Å; I691-R694 WeakPolarHBondContact O-CB 3.28Å; I691-L695 HydrophobicContact CB-CB 4.07Å; I691-L695 HydrophobicContact CD1-CD1 4.36Å; I691-L695 HydrophobicContact CD1-CD2 4.42Å; I691-L695 HydrophobicContact CG2-CB 3.78Å
692	G	87.9	Confident	93.2	Very high	20 Å²	20	25 Å²	25	21%	0.206	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-148.1	177.6	0	0	0	0	0	113.4	I580 I688 R694 L695	I580-G692 VanDerWaalsContact CD1-C 3.5Å; I688-G692 VanDerWaalsContact O-CA 3.22Å; I688-G692 WeakPolarHBondContact O-CA 3.46Å; I688-G692 PolarHBondContact O-N 3.05Å; G692-R694 PolarHBondContact O-N 2.92Å; G692-L695 WeakPolarHBondContact O-CB 3.21Å; G692-L695 PolarHBondContact O-N 3.22Å; G692-L695 VanDerWaalsContact O-N 3.11Å
693	K	87.7	Confident	93.1	Very high	70 Å²	70	28.7 Å²	28.7	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-50.9	-30.5	179.4	-179.7	168.4	175.4	169.7	0	114	F574 Y575 L695 Y696 T697	F574-K693 WeakPolarHBondContact O-CD 3.44Å; F574-K693 WeakPolarHBondContact O-CE 3.43Å; Y575-K693 PolarHBondContact O-NZ 3.12Å; K693-L695 PolarHBondContact O-N 2.87Å; K693-Y696 PolarHBondContact O-N 2.82Å; K693-Y696 VanDerWaalsContact O-N 3.12Å; K693-T697 PolarHBondContact O-N 2.89Å; K693-T697 VanDerWaalsContact O-N 3.14Å; K693-T697 PolarHBondContact O-OG1 3.48Å
694	R	91.5	Very high	93.1	Very high	108 Å²	108	32.3 Å²	32.3	41%	0.408	17%	0.167	S	C	.	.	H	α-helix	trans	-59.3	-33.6	-179.1	-151.2	179.2	80.3	-158.6	22.9	112.7	D521 I691 G692 Y696 T697 N698	D521-R694 IonicContact OD1-CZ 3.22Å; D521-R694 IonicContact OD1-NE 3.53Å; D521-R694 PolarHBondContact OD1-NE 3.02Å; D521-R694 IonicContact OD1-NH2 3.77Å; D521-R694 PolarHBondContact OD1-NH2 3.38Å; D521-R694 WeakPolarHBondContact OD2-CD 3.22Å; D521-R694 IonicContact OD2-CZ 3.67Å; D521-R694 IonicContact OD2-NE 3.72Å; D521-R694 PolarHBondContact OD2-NE 2.75Å; D521-R694 IonicContact OD2-NH2 3.69Å; D521-R694 PolarHBondContact OD2-NH2 2.81Å; D521-R694 VanDerWaalsContact OD2-NH2 3.08Å; I691-R694 HydrophobicContact CG2-CB 4.06Å; I691-R694 WeakPolarHBondContact O-CB 3.28Å; G692-R694 PolarHBondContact O-N 2.92Å; R694-Y696 VanDerWaalsContact C-N 3.32Å; R694-Y696 PolarHBondContact O-N 3.08Å; R694-T697 WeakPolarHBondContact O-CB 3.5Å; R694-T697 PolarHBondContact O-N 2.93Å; R694-N698 WeakPolarHBondContact O-CB 3.39Å; R694-N698 PolarHBondContact O-N 2.88Å; R694-N698 PolarHBondContact O-OD1 3.4Å; R694-N698 VanDerWaalsContact O-OD1 3.1Å
695	L	93.1	Very high	93.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-36.8	177.6	-179.4	55.8	0	0	0	112.6	L550 F551 R687 I688 I691 G692 K693 Y699	L550-L695 HydrophobicContact CD2-CD2 4.2Å; F551-L695 HydrophobicContact CE2-CD1 4.37Å; F551-L695 HydrophobicContact CE2-CG 3.97Å; F551-L695 WeakPolarHBondContact CE2-O 3.28Å; F551-L695 HydrophobicContact CZ-CG 4.05Å; R687-L695 HydrophobicContact CB-CD2 4.06Å; R687-L695 VanDerWaalsContact NH2-CD1 3.3Å; I688-L695 HydrophobicContact CG1-CD2 4.08Å; I691-L695 HydrophobicContact CB-CB 4.07Å; I691-L695 HydrophobicContact CD1-CD1 4.36Å; I691-L695 HydrophobicContact CD1-CD2 4.42Å; I691-L695 HydrophobicContact CG2-CB 3.78Å; G692-L695 WeakPolarHBondContact O-CB 3.21Å; G692-L695 PolarHBondContact O-N 3.22Å; G692-L695 VanDerWaalsContact O-N 3.11Å; K693-L695 PolarHBondContact O-N 2.87Å; L695-Y699 PolarHBondContact O-N 2.88Å
696	Y	91.4	Very high	93.2	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-74.8	-39.4	173.8	175.9	-92.6	0	0	0	111.9	F551 I567 F574 Y575 K693 R694 N698 Y699 I700	F551-Y696 HydrophobicContact CE1-CD2 4.04Å; F551-Y696 HydrophobicContact CZ-CD2 4.39Å; I567-Y696 HydrophobicContact CD1-CD2 4.21Å; I567-Y696 HydrophobicContact CD1-CE2 3.83Å; I567-Y696 HydrophobicContact CG1-CD2 4.43Å; I567-Y696 HydrophobicContact CG1-CE2 3.92Å; I567-Y696 HydrophobicContact CG2-CE2 4.13Å; F574-Y696 HydrophobicContact CB-CD1 3.45Å; F574-Y696 VanDerWaalsContact CB-CD1 3.45Å; F574-Y696 HydrophobicContact CB-CD2 3.87Å; F574-Y696 HydrophobicContact CB-CE1 3.73Å; F574-Y696 HydrophobicContact CB-CE2 4.12Å; F574-Y696 HydrophobicContact CB-CG 3.51Å; F574-Y696 AromaticContact CD1-CD2 3.87Å; F574-Y696 HydrophobicContact CD1-CD2 3.87Å; F574-Y696 AromaticContact CD1-CG 3.73Å; F574-Y696 HydrophobicContact CD1-CG 3.73Å; F574-Y696 AromaticContact CD2-CD2 3.59Å; F574-Y696 HydrophobicContact CD2-CD2 3.59Å; F574-Y696 AromaticContact CD2-CE2 3.71Å; F574-Y696 HydrophobicContact CD2-CE2 3.71Å; F574-Y696 HydrophobicContact CD2-CG 4.12Å; F574-Y696 HydrophobicContact CE1-CD2 4.24Å; F574-Y696 HydrophobicContact CE1-CG 4.42Å; F574-Y696 AromaticContact CE2-CD2 3.99Å; F574-Y696 HydrophobicContact CE2-CD2 3.99Å; F574-Y696 HydrophobicContact CE2-CE2 4.25Å; F574-Y696 HydrophobicContact CG-CD1 4.03Å; F574-Y696 AromaticContact CG-CD2 3.51Å; F574-Y696 HydrophobicContact CG-CD2 3.51Å; F574-Y696 HydrophobicContact CG-CE1 4.44Å; F574-Y696 AromaticContact CG-CE2 3.97Å; F574-Y696 HydrophobicContact CG-CE2 3.97Å; F574-Y696 AromaticContact CG-CG 3.54Å; F574-Y696 HydrophobicContact CG-CG 3.54Å; F574-Y696 HydrophobicContact CZ-CD2 4.29Å; Y575-Y696 HydrophobicContact CE1-CE1 4.04Å; Y575-Y696 HydrophobicContact CE2-CE1 4.19Å; Y575-Y696 WeakPolarHBondContact CE2-OH 3.41Å; Y575-Y696 AromaticContact CZ-CE1 3.8Å; Y575-Y696 PolarHBondContact OH-OH 2.85Å; Y575-Y696 VanDerWaalsContact OH-OH 3.13Å; K693-Y696 PolarHBondContact O-N 2.82Å; K693-Y696 VanDerWaalsContact O-N 3.12Å; R694-Y696 VanDerWaalsContact C-N 3.32Å; R694-Y696 PolarHBondContact O-N 3.08Å; Y696-N698 VanDerWaalsContact C-N 3.29Å; Y696-N698 PolarHBondContact O-N 3.5Å; Y696-Y699 PolarHBondContact O-N 3.4Å; Y696-I700 HydrophobicContact CD1-CG1 4.13Å; Y696-I700 HydrophobicContact CE1-CD1 4.31Å; Y696-I700 HydrophobicContact CE1-CG1 3.64Å; Y696-I700 HydrophobicContact CE2-CD1 4.15Å; Y696-I700 HydrophobicContact CE2-CG1 4.13Å; Y696-I700 WeakPolarHBondContact O-CG1 3.31Å; Y696-I700 PolarHBondContact O-N 3.15Å
697	T	92.8	Very high	93.2	Very high	66 Å²	66	40.4 Å²	40.4	41%	0.405	21%	0.206	S	C	.	.	H	α-helix	trans	-55.9	-46.7	172.6	-54	0	0	0	0	110.9	K693 R694 Y699 I700 V701	K693-T697 PolarHBondContact O-N 2.89Å; K693-T697 VanDerWaalsContact O-N 3.14Å; K693-T697 PolarHBondContact O-OG1 3.48Å; R694-T697 WeakPolarHBondContact O-CB 3.5Å; R694-T697 PolarHBondContact O-N 2.93Å; T697-Y699 PolarHBondContact O-N 2.94Å; T697-I700 PolarHBondContact O-N 3.07Å; T697-V701 HydrophobicContact CG2-CG2 4.29Å; T697-V701 WeakPolarHBondContact O-CB 3.27Å; T697-V701 VanDerWaalsContact O-CG2 3.31Å; T697-V701 WeakPolarHBondContact O-CG2 3.48Å; T697-V701 PolarHBondContact O-N 3.16Å
698	N	95.9	Very high	93.2	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-45.6	178	-68.5	2.7	0	0	0	111.7	D520 D521 Y548 R694 Y696 V701 R702	D520-N698 HydrophobicContact CB-CB 4.27Å; D521-N698 PolarHBondContact OD1-ND2 2.82Å; Y548-N698 HydrophobicContact CE1-CB 4.46Å; Y548-N698 WeakPolarHBondContact OH-CB 3.39Å; Y548-N698 PolarHBondContact OH-O 3.01Å; R694-N698 WeakPolarHBondContact O-CB 3.39Å; R694-N698 PolarHBondContact O-N 2.88Å; R694-N698 PolarHBondContact O-OD1 3.4Å; R694-N698 VanDerWaalsContact O-OD1 3.1Å; Y696-N698 VanDerWaalsContact C-N 3.29Å; Y696-N698 PolarHBondContact O-N 3.5Å; N698-V701 PolarHBondContact O-N 3.08Å; N698-R702 VanDerWaalsContact O-CB 3.31Å; N698-R702 WeakPolarHBondContact O-CB 3.46Å; N698-R702 PolarHBondContact O-N 2.94Å
699	Y	95.4	Very high	93.3	Very high	30 Å²	30	45.4 Å²	45.4	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-46.7	176	172.7	-94	0	0	0	113.1	M501 Y548 F551 E552 I567 L695 Y696 T697 R702 M703	M501-Y699 HydrophobicContact CE-CD2 3.66Å; M501-Y699 HydrophobicContact CE-CE2 3.49Å; M501-Y699 VanDerWaalsContact CE-CE2 3.49Å; Y548-Y699 AromaticContact CD1-CD2 3.83Å; Y548-Y699 HydrophobicContact CD1-CD2 3.83Å; Y548-Y699 HydrophobicContact CD1-CG 4.38Å; Y548-Y699 HydrophobicContact CE1-CD2 4.46Å; Y548-Y699 AromaticContact CG-CD2 3.87Å; Y548-Y699 HydrophobicContact CG-CD2 3.87Å; F551-Y699 HydrophobicContact CB-CD1 4.34Å; F551-Y699 HydrophobicContact CB-CD2 3.65Å; F551-Y699 HydrophobicContact CB-CE1 4.27Å; F551-Y699 HydrophobicContact CB-CE2 3.51Å; F551-Y699 HydrophobicContact CB-CG 4.06Å; F551-Y699 HydrophobicContact CD2-CD1 4.31Å; F551-Y699 AromaticContact CD2-CD2 3.5Å; F551-Y699 HydrophobicContact CD2-CD2 3.5Å; F551-Y699 HydrophobicContact CD2-CE2 4.29Å; F551-Y699 AromaticContact CD2-CG 3.51Å; F551-Y699 HydrophobicContact CD2-CG 3.51Å; F551-Y699 HydrophobicContact CE2-CD2 4.42Å; F551-Y699 HydrophobicContact CE2-CG 4.07Å; F551-Y699 HydrophobicContact CG-CD1 4.31Å; F551-Y699 AromaticContact CG-CD2 3.89Å; F551-Y699 HydrophobicContact CG-CD2 3.89Å; F551-Y699 HydrophobicContact CG-CE2 4.26Å; F551-Y699 AromaticContact CG-CG 3.9Å; F551-Y699 HydrophobicContact CG-CG 3.9Å; E552-Y699 HydrophobicContact CG-CE2 4.46Å; I567-Y699 HydrophobicContact CD1-CD1 3.6Å; I567-Y699 HydrophobicContact CD1-CE1 3.27Å; L695-Y699 PolarHBondContact O-N 2.88Å; Y696-Y699 PolarHBondContact O-N 3.4Å; T697-Y699 PolarHBondContact O-N 2.94Å; Y699-R702 PolarHBondContact O-N 3.13Å; Y699-M703 HydrophobicContact CE1-SD 4.39Å; Y699-M703 WeakPolarHBondContact O-CB 3.49Å; Y699-M703 PolarHBondContact O-N 2.82Å
700	I	93.5	Very high	93.3	Very high	30 Å²	30	51.3 Å²	51.3	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-47.3	179.4	-63.5	-63.3	0	0	0	110.8	Y696 T697 R702 M703 D704	Y696-I700 HydrophobicContact CD1-CG1 4.13Å; Y696-I700 HydrophobicContact CE1-CD1 4.31Å; Y696-I700 HydrophobicContact CE1-CG1 3.64Å; Y696-I700 HydrophobicContact CE2-CD1 4.15Å; Y696-I700 HydrophobicContact CE2-CG1 4.13Å; Y696-I700 WeakPolarHBondContact O-CG1 3.31Å; Y696-I700 PolarHBondContact O-N 3.15Å; T697-I700 PolarHBondContact O-N 3.07Å; I700-R702 VanDerWaalsContact C-N 3.28Å; I700-R702 PolarHBondContact O-N 3.44Å; I700-M703 HydrophobicContact CD1-CE 4.08Å; I700-M703 WeakPolarHBondContact O-CB 3.46Å; I700-M703 PolarHBondContact O-N 2.8Å; I700-M703 VanDerWaalsContact O-N 3.1Å; I700-D704 PolarHBondContact O-N 2.71Å
701	V	96.5	Very high	93.4	Very high	67 Å²	67	53.3 Å²	53.3	41%	0.406	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-39.2	177	172.5	0	0	0	0	111	L485 T697 N698 T705	L485-V701 HydrophobicContact CD2-CG1 3.77Å; T697-V701 HydrophobicContact CG2-CG2 4.29Å; T697-V701 WeakPolarHBondContact O-CB 3.27Å; T697-V701 VanDerWaalsContact O-CG2 3.31Å; T697-V701 WeakPolarHBondContact O-CG2 3.48Å; T697-V701 PolarHBondContact O-N 3.16Å; N698-V701 PolarHBondContact O-N 3.08Å; V701-T705 VanDerWaalsContact O-CB 3.22Å; V701-T705 WeakPolarHBondContact O-CB 3.31Å; V701-T705 PolarHBondContact O-N 2.85Å; V701-T705 PolarHBondContact O-OG1 2.81Å
702	R	96.8	Very high	93.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-46.6	173.1	177.8	67.3	81.2	94.7	6.9	111.7	T500 M501 H503 D520 Y548 N698 Y699 I700 D704 T705 V706	T500-R702 PolarHBondContact O-NH1 3.08Å; M501-R702 HydrophobicContact CE-CB 4.17Å; M501-R702 HydrophobicContact CE-CG 3.8Å; M501-R702 PolarHBondContact O-NH1 2.96Å; M501-R702 HydrophobicContact SD-CB 4.46Å; M501-R702 HydrophobicContact SD-CG 3.68Å; H503-R702 VanDerWaalsContact O-CZ 3.28Å; H503-R702 PolarHBondContact O-NH1 2.82Å; H503-R702 PolarHBondContact O-NH2 3Å; D520-R702 VanDerWaalsContact CG-NH2 3.33Å; D520-R702 IonicContact OD1-CZ 3.17Å; D520-R702 IonicContact OD1-NE 3.51Å; D520-R702 PolarHBondContact OD1-NE 3.33Å; D520-R702 IonicContact OD1-NH2 2.69Å; D520-R702 PolarHBondContact OD1-NH2 3.23Å; D520-R702 IonicContact OD2-CZ 3.75Å; D520-R702 VanDerWaalsContact OD2-CZ 3.31Å; D520-R702 IonicContact OD2-NE 3.31Å; D520-R702 PolarHBondContact OD2-NE 3.14Å; D520-R702 IonicContact OD2-NH2 3.13Å; D520-R702 PolarHBondContact OD2-NH2 3.11Å; D520-R702 VanDerWaalsContact OD2-NH2 3.1Å; Y548-R702 HydrophobicContact CD2-CG 4.36Å; Y548-R702 HydrophobicContact CE2-CB 3.88Å; Y548-R702 HydrophobicContact CE2-CG 3.78Å; N698-R702 VanDerWaalsContact O-CB 3.31Å; N698-R702 WeakPolarHBondContact O-CB 3.46Å; N698-R702 PolarHBondContact O-N 2.94Å; Y699-R702 PolarHBondContact O-N 3.13Å; I700-R702 VanDerWaalsContact C-N 3.28Å; I700-R702 PolarHBondContact O-N 3.44Å; R702-D704 PolarHBondContact O-N 3.33Å; R702-T705 PolarHBondContact O-N 2.97Å; R702-V706 HydrophobicContact CG-CG2 4.17Å; R702-V706 WeakPolarHBondContact O-CB 3.39Å; R702-V706 VanDerWaalsContact O-CG2 3.3Å; R702-V706 WeakPolarHBondContact O-CG2 3.45Å; R702-V706 PolarHBondContact O-N 2.86Å
703	M	95.6	Very high	93.1	Very high	77 Å²	77	58.4 Å²	58.4	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-46.6	-178.4	-174.4	-176.7	68	0	0	111.6	M501 Y699 I700 V706 K707	M501-M703 HydrophobicContact CE-CB 4.14Å; M501-M703 HydrophobicContact SD-CB 4.17Å; Y699-M703 HydrophobicContact CE1-SD 4.39Å; Y699-M703 WeakPolarHBondContact O-CB 3.49Å; Y699-M703 PolarHBondContact O-N 2.82Å; I700-M703 HydrophobicContact CD1-CE 4.08Å; I700-M703 WeakPolarHBondContact O-CB 3.46Å; I700-M703 PolarHBondContact O-N 2.8Å; I700-M703 VanDerWaalsContact O-N 3.1Å; M703-V706 PolarHBondContact O-N 3.04Å; M703-K707 PolarHBondContact O-N 3.03Å; M703-K707 VanDerWaalsContact O-N 3.11Å
704	D	96.2	Very high	92.8	Very high	79 Å²	79	57.4 Å²	57.4	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-40.6	175.6	-65.7	-30	0	0	0	111.5	I700 R702 V706 K707 I708	I700-D704 PolarHBondContact O-N 2.71Å; R702-D704 PolarHBondContact O-N 3.33Å; D704-V706 PolarHBondContact O-N 2.92Å; D704-K707 WeakPolarHBondContact O-CB 3.44Å; D704-K707 PolarHBondContact O-N 3.49Å; D704-I708 WeakPolarHBondContact O-CG1 3.49Å; D704-I708 PolarHBondContact O-N 3.07Å
705	T	96.4	Very high	91.9	Very high	21 Å²	21	58.3 Å²	58.3	13%	0.129	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-40.7	177.1	-59.4	0	0	0	0	112.4	L485 Q489 L499 V701 R702 I708 H709	L485-T705 HydrophobicContact CD1-CG2 4.31Å; Q489-T705 HydrophobicContact CG-CG2 3.83Å; Q489-T705 VanDerWaalsContact NE2-CG2 3.31Å; L499-T705 HydrophobicContact CD2-CG2 3.86Å; V701-T705 VanDerWaalsContact O-CB 3.22Å; V701-T705 WeakPolarHBondContact O-CB 3.31Å; V701-T705 PolarHBondContact O-N 2.85Å; V701-T705 PolarHBondContact O-OG1 2.81Å; R702-T705 PolarHBondContact O-N 2.97Å; T705-I708 PolarHBondContact O-N 3.46Å; T705-H709 VanDerWaalsContact O-CB 3.26Å; T705-H709 WeakPolarHBondContact O-CB 3.47Å; T705-H709 PolarHBondContact O-N 3.06Å
706	V	96.3	Very high	90.6	Very high	25 Å²	25	60.7 Å²	60.7	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-41.2	175.6	164.4	0	0	0	0	110.8	L499 M501 R702 M703 D704 R710	L499-V706 HydrophobicContact CD2-CG2 4.31Å; L499-V706 HydrophobicContact CG-CG2 4Å; M501-V706 HydrophobicContact SD-CB 4.32Å; M501-V706 HydrophobicContact SD-CG2 3.94Å; R702-V706 HydrophobicContact CG-CG2 4.17Å; R702-V706 WeakPolarHBondContact O-CB 3.39Å; R702-V706 VanDerWaalsContact O-CG2 3.3Å; R702-V706 WeakPolarHBondContact O-CG2 3.45Å; R702-V706 PolarHBondContact O-N 2.86Å; M703-V706 PolarHBondContact O-N 3.04Å; D704-V706 PolarHBondContact O-N 2.92Å; V706-R710 WeakPolarHBondContact O-CB 3.36Å; V706-R710 PolarHBondContact O-N 2.84Å
707	K	95.1	Very high	89.1	Confident	125 Å²	125	64.3 Å²	64.3	54%	0.543	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-53.9	175.4	-179	-174.2	166.6	-172.8	0	111.3	M703 D704 H709 R710 E711	M703-K707 PolarHBondContact O-N 3.03Å; M703-K707 VanDerWaalsContact O-N 3.11Å; D704-K707 WeakPolarHBondContact O-CB 3.44Å; D704-K707 PolarHBondContact O-N 3.49Å; K707-H709 VanDerWaalsContact C-N 3.31Å; K707-H709 PolarHBondContact O-N 3.4Å; K707-R710 WeakPolarHBondContact O-CB 3.3Å; K707-R710 PolarHBondContact O-N 3.47Å; K707-R710 VanDerWaalsContact O-N 3.13Å; K707-E711 WeakPolarHBondContact CE-OE1 3.38Å; K707-E711 IonicContact NZ-OE1 2.71Å; K707-E711 WeakPolarHBondContact O-CG 3.43Å; K707-E711 PolarHBondContact O-N 3.46Å
708	I	93.5	Very high	87.3	Confident	91 Å²	91	68.6 Å²	68.6	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-60.7	-40.6	-179.7	-65.9	164	0	0	0	111.1	D704 T705 R710 E711 N712	D704-I708 WeakPolarHBondContact O-CG1 3.49Å; D704-I708 PolarHBondContact O-N 3.07Å; T705-I708 PolarHBondContact O-N 3.46Å; I708-R710 VanDerWaalsContact C-N 3.35Å; I708-R710 PolarHBondContact O-N 3.22Å; I708-E711 PolarHBondContact O-N 3.21Å; I708-N712 WeakPolarHBondContact O-CB 3.38Å; I708-N712 PolarHBondContact O-N 3.26Å; I708-N712 PolarHBondContact O-ND2 3.34Å
709	H	92.9	Very high	85.3	Confident	20 Å²	20	71.8 Å²	71.8	9%	0.093	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-37.9	177	-167.4	91.1	0	0	0	112	S493 K497 L499 T705 K707 F713	S493-H709 PolarHBondContact OG-CE1 3.11Å; K497-H709 PolarHBondContact O-NE2 3.39Å; L499-H709 HydrophobicContact CB-CB 4.27Å; L499-H709 PolarHBondContact N-CD2 3.33Å; L499-H709 VanDerWaalsContact N-CD2 3.3Å; T705-H709 VanDerWaalsContact O-CB 3.26Å; T705-H709 WeakPolarHBondContact O-CB 3.47Å; T705-H709 PolarHBondContact O-N 3.06Å; K707-H709 VanDerWaalsContact C-N 3.31Å; K707-H709 PolarHBondContact O-N 3.4Å; H709-F713 VanDerWaalsContact O-CB 3.22Å; H709-F713 WeakPolarHBondContact O-CB 3.33Å; H709-F713 PolarHBondContact O-N 2.85Å
710	R	92.3	Very high	83.3	Confident	153 Å²	153	75.8 Å²	75.8	58%	0.577	38%	0.382	S	S	*	.	H	α-helix	trans	-66.9	-41.2	174.8	176.9	176.3	-88.5	177.7	-7.8	113	L498 V706 K707 I708 S714	L498-R710 HydrophobicContact CD1-CB 3.87Å; L498-R710 HydrophobicContact CD1-CG 4.29Å; V706-R710 WeakPolarHBondContact O-CB 3.36Å; V706-R710 PolarHBondContact O-N 2.84Å; K707-R710 WeakPolarHBondContact O-CB 3.3Å; K707-R710 PolarHBondContact O-N 3.47Å; K707-R710 VanDerWaalsContact O-N 3.13Å; I708-R710 VanDerWaalsContact C-N 3.35Å; I708-R710 PolarHBondContact O-N 3.22Å; R710-S714 WeakPolarHBondContact O-CB 3.31Å; R710-S714 PolarHBondContact O-N 3.05Å; R710-S714 VanDerWaalsContact O-N 3.08Å; R710-S714 PolarHBondContact O-OG 3.13Å
711	E	90.6	Very high	81.2	Confident	89 Å²	89	83.2 Å²	83.2	42%	0.416	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-50	177.2	-72.1	166.8	174.6	0	0	109.8	K707 I708 F713 S714 H715	K707-E711 WeakPolarHBondContact CE-OE1 3.38Å; K707-E711 IonicContact NZ-OE1 2.71Å; K707-E711 WeakPolarHBondContact O-CG 3.43Å; K707-E711 PolarHBondContact O-N 3.46Å; I708-E711 PolarHBondContact O-N 3.21Å; E711-F713 PolarHBondContact O-N 3.31Å; E711-S714 WeakPolarHBondContact O-CB 3.23Å; E711-S714 PolarHBondContact O-N 2.96Å; E711-H715 PolarHBondContact O-CD2 3.14Å; E711-H715 PolarHBondContact O-N 3.34Å; E711-H715 VanDerWaalsContact O-N 3.14Å
712	N	88.1	Confident	78.8	Confident	102 Å²	102	84.2 Å²	84.2	55%	0.545	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-44	175.9	-71.5	-26.7	0	0	0	113.2	I708 S714 H715 S716	I708-N712 WeakPolarHBondContact O-CB 3.38Å; I708-N712 PolarHBondContact O-N 3.26Å; I708-N712 PolarHBondContact O-ND2 3.34Å; N712-S714 VanDerWaalsContact C-N 3.29Å; N712-S714 PolarHBondContact O-N 3.41Å; N712-H715 PolarHBondContact O-N 3.3Å; N712-H715 VanDerWaalsContact O-N 3.15Å; N712-S716 PolarHBondContact O-N 3.04Å; N712-S716 VanDerWaalsContact O-N 3.08Å; N712-S716 PolarHBondContact O-OG 2.99Å
713	F	84.4	Confident	76.7	Confident	57 Å²	57	87.1 Å²	87.1	25%	0.25	43%	0.431	C	S	.	.	H	α-helix	trans	-60.4	-41.4	179.4	-166.6	-83.2	0	0	0	111.5	Q496 L498 H709 E711 H715 S716 D717	Q496-F713 WeakPolarHBondContact O-CE2 3.28Å; Q496-F713 WeakPolarHBondContact O-CZ 3.32Å; L498-F713 HydrophobicContact CD1-CB 4.14Å; L498-F713 HydrophobicContact CD1-CG 4.28Å; H709-F713 VanDerWaalsContact O-CB 3.22Å; H709-F713 WeakPolarHBondContact O-CB 3.33Å; H709-F713 PolarHBondContact O-N 2.85Å; E711-F713 PolarHBondContact O-N 3.31Å; F713-H715 PolarHBondContact O-N 2.86Å; F713-S716 WeakPolarHBondContact CA-OG 3.34Å; F713-S716 PolarHBondContact O-N 3.15Å; F713-S716 PolarHBondContact O-OG 2.75Å; F713-D717 WeakPolarHBondContact CE1-OD2 3.47Å; F713-D717 PolarHBondContact O-N 2.99Å
714	S	79.6	Confident	74.6	Confident	49 Å²	49	86.8 Å²	86.8	34%	0.343	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-43.3	175.6	-55.6	0	0	0	0	111.3	R710 E711 N712 S716 D717 Y718	R710-S714 WeakPolarHBondContact O-CB 3.31Å; R710-S714 PolarHBondContact O-N 3.05Å; R710-S714 VanDerWaalsContact O-N 3.08Å; R710-S714 PolarHBondContact O-OG 3.13Å; E711-S714 WeakPolarHBondContact O-CB 3.23Å; E711-S714 PolarHBondContact O-N 2.96Å; N712-S714 VanDerWaalsContact C-N 3.29Å; N712-S714 PolarHBondContact O-N 3.41Å; S714-S716 PolarHBondContact O-N 2.66Å; S714-D717 PolarHBondContact O-N 3.24Å; S714-Y718 WeakPolarHBondContact O-CD2 3.29Å; S714-Y718 PolarHBondContact O-N 2.87Å
715	H	73.2	Confident	72.2	Confident	126 Å²	126	91.9 Å²	91.9	58%	0.583	45%	0.45	S	S	*	.	H	α-helix	trans	-65.1	-33.2	177.5	-73.3	-60.9	0	0	0	113.6	E711 N712 F713 S719	E711-H715 PolarHBondContact O-CD2 3.14Å; E711-H715 PolarHBondContact O-N 3.34Å; E711-H715 VanDerWaalsContact O-N 3.14Å; N712-H715 PolarHBondContact O-N 3.3Å; N712-H715 VanDerWaalsContact O-N 3.15Å; F713-H715 PolarHBondContact O-N 2.86Å; H715-S719 WeakPolarHBondContact O-CB 3.38Å; H715-S719 PolarHBondContact O-N 3.31Å; H715-S719 VanDerWaalsContact O-N 3.07Å; H715-S719 PolarHBondContact O-OG 3.31Å
716	S	65.9	Low	69.9	Low	53 Å²	53	98 Å²	98	37%	0.371	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-44.9	170.8	32.6	0	0	0	0	112.6	N712 F713 S714 Y718 S719 L720	N712-S716 PolarHBondContact O-N 3.04Å; N712-S716 VanDerWaalsContact O-N 3.08Å; N712-S716 PolarHBondContact O-OG 2.99Å; F713-S716 WeakPolarHBondContact CA-OG 3.34Å; F713-S716 PolarHBondContact O-N 3.15Å; F713-S716 PolarHBondContact O-OG 2.75Å; S714-S716 PolarHBondContact O-N 2.66Å; S716-Y718 PolarHBondContact O-N 3.44Å; S716-S719 PolarHBondContact O-N 2.67Å; S716-L720 WeakPolarHBondContact O-CG 2.99Å; S716-L720 PolarHBondContact O-N 3.1Å
717	D	59.7	Low	67.5	Low	80 Å²	80	102.4 Å²	102.4	43%	0.428	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-41.5	179.5	-74.6	-20.2	0	0	0	112.4	F713 S714 S719 L720 R721	F713-D717 WeakPolarHBondContact CE1-OD2 3.47Å; F713-D717 PolarHBondContact O-N 2.99Å; S714-D717 PolarHBondContact O-N 3.24Å; D717-S719 VanDerWaalsContact C-N 3.34Å; D717-S719 PolarHBondContact O-N 2.88Å; D717-L720 PolarHBondContact O-N 3.19Å; D717-R721 WeakPolarHBondContact O-CB 3.34Å; D717-R721 PolarHBondContact O-N 3.27Å
718	Y	55	Low	65.1	Low	156 Å²	156	101 Å²	101	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-64.1	-37.6	173.7	-76	-62.3	0	0	0	112.5	S714 S716 R721 N722	S714-Y718 WeakPolarHBondContact O-CD2 3.29Å; S714-Y718 PolarHBondContact O-N 2.87Å; S716-Y718 PolarHBondContact O-N 3.44Å; Y718-R721 PolarHBondContact O-N 2.87Å; Y718-N722 WeakPolarHBondContact O-CB 3.39Å; Y718-N722 PolarHBondContact O-N 3.06Å
719	S	54.7	Low	62.8	Low	78 Å²	78	103.1 Å²	103.1	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-43.1	178	-59.3	0	0	0	0	111.7	H715 S716 D717 N722 S723	H715-S719 WeakPolarHBondContact O-CB 3.38Å; H715-S719 PolarHBondContact O-N 3.31Å; H715-S719 VanDerWaalsContact O-N 3.07Å; H715-S719 PolarHBondContact O-OG 3.31Å; S716-S719 PolarHBondContact O-N 2.67Å; D717-S719 VanDerWaalsContact C-N 3.34Å; D717-S719 PolarHBondContact O-N 2.88Å; S719-N722 PolarHBondContact O-N 3.35Å; S719-S723 PolarHBondContact O-N 3.23Å; S719-S723 PolarHBondContact O-OG 3.03Å
720	L	52.8	Low	60.5	Low	114 Å²	114	108.7 Å²	108.7	60%	0.597	55%	0.545	S	S	*	.	H	α-helix	trans	-66	-38.7	175.6	-72.7	163.2	0	0	0	112.6	S716 D717 N722 S723 S724	S716-L720 WeakPolarHBondContact O-CG 2.99Å; S716-L720 PolarHBondContact O-N 3.1Å; D717-L720 PolarHBondContact O-N 3.19Å; L720-N722 VanDerWaalsContact C-N 3.33Å; L720-S723 PolarHBondContact O-OG 3.49Å; L720-S724 WeakPolarHBondContact O-CB 3.4Å; L720-S724 PolarHBondContact O-N 3.18Å; L720-S724 PolarHBondContact O-OG 3.03Å
721	R	49.6	Very low	57.8	Low	186 Å²	186	108.8 Å²	108.8	70%	0.702	56%	0.557	S	S	*	*	H	α-helix	trans	-69.4	-26.2	174.1	-83	-172.1	165.6	-157.6	-3.5	113.9	D717 Y718 S724 R725	D717-R721 WeakPolarHBondContact O-CB 3.34Å; D717-R721 PolarHBondContact O-N 3.27Å; Y718-R721 PolarHBondContact O-N 2.87Å; R721-S724 WeakPolarHBondContact CA-OG 3.42Å; R721-S724 PolarHBondContact O-OG 3.45Å; R721-R725 WeakPolarHBondContact O-CG 3.47Å
722	N	47.2	Very low	55.3	Low	87 Å²	87	115.1 Å²	115.1	47%	0.465	58%	0.577	S	S	.	*	H	α-helix	trans	-83.8	-41.9	176.3	-78.1	-8.2	0	0	0	112.4	Y718 S719 L720 S724 R725 F726	Y718-N722 WeakPolarHBondContact O-CB 3.39Å; Y718-N722 PolarHBondContact O-N 3.06Å; S719-N722 PolarHBondContact O-N 3.35Å; L720-N722 VanDerWaalsContact C-N 3.33Å; N722-S724 VanDerWaalsContact C-N 3.35Å; N722-S724 PolarHBondContact O-N 3.13Å; N722-R725 PolarHBondContact O-N 3.47Å; N722-R725 VanDerWaalsContact O-N 3.15Å; N722-F726 WeakPolarHBondContact O-CD2 3.25Å; N722-F726 PolarHBondContact O-N 3.09Å
723	S	52	Low	52.8	Low	62 Å²	62	116.2 Å²	116.2	43%	0.434	59%	0.59	S	S	.	*	H	α-helix	trans	-63.3	-40.1	177.6	64.1	0	0	0	0	112.4	S719 L720 R725 F726 N727	S719-S723 PolarHBondContact O-N 3.23Å; S719-S723 PolarHBondContact O-OG 3.03Å; L720-S723 PolarHBondContact O-OG 3.49Å; S723-R725 VanDerWaalsContact C-N 3.28Å; S723-R725 PolarHBondContact O-N 3.23Å; S723-F726 PolarHBondContact O-N 3.31Å; S723-N727 PolarHBondContact O-N 2.9Å
724	S	51.7	Low	50.2	Low	70 Å²	70	122 Å²	122	49%	0.49	62%	0.621	S	S	.	*	H	α-helix	trans	-62.7	-30.7	174.2	48.4	0	0	0	0	113.5	L720 R721 N722 S728	L720-S724 WeakPolarHBondContact O-CB 3.4Å; L720-S724 PolarHBondContact O-N 3.18Å; L720-S724 PolarHBondContact O-OG 3.03Å; R721-S724 WeakPolarHBondContact CA-OG 3.42Å; R721-S724 PolarHBondContact O-OG 3.45Å; N722-S724 VanDerWaalsContact C-N 3.35Å; N722-S724 PolarHBondContact O-N 3.13Å; S724-S728 PolarHBondContact O-N 3.25Å
725	R	45.4	Very low	47.8	Very low	186 Å²	186	124.8 Å²	124.8	70%	0.702	64%	0.641	S	S	*	*	H	α-helix	trans	-72.4	-35.3	173.1	-77.4	176.8	173.3	-165.6	-3	113.4	R721 N722 S723	R721-R725 WeakPolarHBondContact O-CG 3.47Å; N722-R725 PolarHBondContact O-N 3.47Å; N722-R725 VanDerWaalsContact O-N 3.15Å; S723-R725 VanDerWaalsContact C-N 3.28Å; S723-R725 PolarHBondContact O-N 3.23Å
726	F	47.9	Very low	45.8	Very low	149 Å²	149	123.1 Å²	123.1	65%	0.654	64%	0.644	S	S	*	*	H	α-helix	trans	-74.8	-34.9	176.7	-80.6	-73.1	0	0	0	112.9	N722 S723 S728 L729	N722-F726 WeakPolarHBondContact O-CD2 3.25Å; N722-F726 PolarHBondContact O-N 3.09Å; S723-F726 PolarHBondContact O-N 3.31Å; F726-S728 VanDerWaalsContact C-N 3.26Å; F726-S728 PolarHBondContact O-N 3.41Å; F726-L729 PolarHBondContact O-N 3.13Å
727	N	46	Very low	44.2	Very low	118 Å²	118	126.8 Å²	126.8	63%	0.631	66%	0.664	S	S	*	*	H	α-helix	trans	-67.9	-26.3	175.3	-72	1.1	0	0	0	112.9	S723 L729 N730	S723-N727 PolarHBondContact O-N 2.9Å; N727-L729 PolarHBondContact O-N 3.27Å; N727-N730 PolarHBondContact O-N 3.37Å
728	S	45	Very low	42.7	Very low	96 Å²	96	130 Å²	130	67%	0.671	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-0.1	178.7	-171.5	0	0	0	0	115.3	S724 F726	S724-S728 PolarHBondContact O-N 3.25Å; F726-S728 VanDerWaalsContact C-N 3.26Å; F726-S728 PolarHBondContact O-N 3.41Å
729	L	45	Very low	41.6	Very low	134 Å²	134	127.4 Å²	127.4	70%	0.702	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-11.5	-178.1	-83.3	159.8	0	0	0	114.8	F726 N727	F726-L729 PolarHBondContact O-N 3.13Å; N727-L729 PolarHBondContact O-N 3.27Å
730	N	45.4	Very low	40.6	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-19.4	-176	-72	-13.9	0	0	0	114.3	N727 R732	N727-N730 PolarHBondContact O-N 3.37Å; N730-R732 VanDerWaalsContact C-N 3.31Å; N730-R732 PolarHBondContact O-N 3.06Å
731	D	34.9	Very low	39.5	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	72%	0.715	S	S	*	*			trans	-83.4	70.1	179	-73.2	-40.4	0	0	0	112.3
732	R	37.6	Very low	38.6	Very low	223 Å²	223	132.8 Å²	132.8	84%	0.842	72%	0.721	S	S	*	*			trans	-114.3	116.7	158.2	-96.1	-173.3	170	-173.8	-2.8	109.4	N730 I734	N730-R732 VanDerWaalsContact C-N 3.31Å; N730-R732 PolarHBondContact O-N 3.06Å; R732-I734 PolarHBondContact O-N 3.21Å; R732-I734 VanDerWaalsContact O-N 3.16Å
733	P	35.6	Very low	37.8	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	73%	0.732	S	S	*	*			trans	-69.6	114	177.9	27.9	-33	0	0	0	110	S735	P733-S735 PolarHBondContact O-N 2.81Å
734	I	29.6	Very low	36.9	Very low	177 Å²	177	137.9 Å²	137.9	91%	0.908	75%	0.752	S	S	*	*			trans	-77	107.1	171.7	-61.6	178.5	0	0	0	108.3	R732	R732-I734 PolarHBondContact O-N 3.21Å; R732-I734 VanDerWaalsContact O-N 3.16Å
735	S	30.3	Very low	35.8	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	77%	0.768	S	S	*	*			trans	-149	133.5	170.4	-156.5	0	0	0	0	106.2	P733	P733-S735 PolarHBondContact O-N 2.81Å
736	S	30.3	Very low	35.3	Very low	91 Å²	91	142.6 Å²	142.6	64%	0.636	78%	0.778	S	S	*	*			cis	-153.6	-176.5	14.6	56.9	0	0	0	0	112.6
737	T	33.4	Very low	34.5	Very low	129 Å²	129	143.6 Å²	143.6	79%	0.791	79%	0.789	S	S	*	*			trans	73.3	143.5	158.9	47.2	0	0	0	0	119.7
738	V	27	Very low	33.8	Very low	148 Å²	148	140.8 Å²	140.8	90%	0.897	79%	0.788	S	S	*	*			trans	-136.6	107.9	-178.6	173	0	0	0	0	108.5
739	S	32.6	Very low	33.3	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	80%	0.797	S	S	*	*			trans	-177.8	143.5	168.1	49.3	0	0	0	0	106.6
740	E	32.5	Very low	32.5	Very low	181 Å²	181	144.7 Å²	144.7	85%	0.846	80%	0.801	S	S	*	*			cis	-149.2	-170.8	1.2	-120.3	163.6	158.5	0	0	109.3
741	L	29.6	Very low	32	Very low	153 Å²	153	147.4 Å²	147.4	80%	0.801	81%	0.809	S	S	*	*			trans	-77.6	148.1	179.8	-53.2	103.2	0	0	0	111.7
742	D	32.7	Very low	31.7	Very low	156 Å²	156	145 Å²	145	83%	0.834	80%	0.804	S	S	*	*				-174.1	177.1	91.8	-113.6	-35.3	0	0	0	113.4
743	S	30	Very low	31.5	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	81%	0.805	S	S	*	*			trans	-97.3	148.6	-175.9	-51.4	0	0	0	0	112.8
744	D	32.8	Very low	31.4	Very low	158 Å²	158	142.6 Å²	142.6	85%	0.845	80%	0.804	S	S	*	*				-179.1	168.3	110.4	-102	-18.9	0	0	0	115
745	H	28.6	Very low	31.9	Very low	179 Å²	179	138.7 Å²	138.7	83%	0.829	79%	0.791	S	S	*	*			trans	-71	155.4	178	-65.8	-95.5	0	0	0	114
746	I	35.3	Very low	32	Very low	176 Å²	176	138.8 Å²	138.8	90%	0.903	78%	0.783	S	S	*	*				-157	159.9	125.3	-86.9	-121.8	0	0	0	109
747	L	29.8	Very low	32	Very low	169 Å²	169	144 Å²	144	89%	0.885	79%	0.79	S	S	*	*			trans	-105.3	155.1	-167.5	-176.3	69.6	0	0	0	112.8
748	G	32.1	Very low	31.9	Very low	59 Å²	59	146.8 Å²	146.8	61%	0.608	79%	0.791	S	S	*	*			trans	110	137.6	161.9	0	0	0	0	0	114.8
749	D	34.3	Very low	32.2	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	78%	0.778	S	S	*	*			cis	-148.3	153.6	-7.4	-92.3	-40.5	0	0	0	110.7
750	L	28	Very low	32.1	Very low	151 Å²	151	147.8 Å²	147.8	79%	0.791	79%	0.787	S	S	*	*			trans	-88.7	129.9	164.1	-92.8	78.6	0	0	0	109.7
751	H	35.8	Very low	31.9	Very low	194 Å²	194	144.9 Å²	144.9	90%	0.898	79%	0.787	S	S	*	*			trans	-150.4	117.6	141.4	-101.4	-65.6	0	0	0	112
752	S	28	Very low	32.2	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	79%	0.789	S	S	*	*			trans	-77.3	139.2	173.1	-47	0	0	0	0	111.1
753	I	34	Very low	32	Very low	168 Å²	168	144.9 Å²	144.9	86%	0.862	79%	0.792	S	S	*	*			trans	-161.1	141	148.9	-101.2	144.7	0	0	0	110.7
754	T	33.4	Very low	32.3	Very low	129 Å²	129	147.2 Å²	147.2	79%	0.791	80%	0.795	S	S	*	*			trans	-141.3	162.9	165.2	2.7	0	0	0	0	106
755	P	40	Very low	32	Very low	96 Å²	96	148 Å²	148	62%	0.623	79%	0.794	S	S	*	*			cis	-140.8	-177.7	3	42.6	-24.7	0	0	0	116.9
756	N	30.8	Very low	32.4	Very low	111 Å²	111	148.9 Å²	148.9	59%	0.594	80%	0.796	S	S	*	*			trans	82.9	149	140.6	-76.4	-8.4	0	0	0	123.4
757	Y	31.6	Very low	32.7	Very low	200 Å²	200	145.7 Å²	145.7	78%	0.784	79%	0.786	S	S	*	*			trans	70.5	142.6	167.6	-36.6	-57.7	0	0	0	113.5
758	K	31.7	Very low	32.9	Very low	187 Å²	187	143.6 Å²	143.6	81%	0.813	78%	0.783	S	S	*	*			cis	-167	161.3	11	-126.6	174.5	-169.4	173.8	0	106.4
759	T	32.5	Very low	33.1	Very low	104 Å²	104	150.9 Å²	150.9	64%	0.638	80%	0.798	S	S	*	*			cis	-157.4	160.4	2.8	-33.9	0	0	0	0	107.9
760	N	29.9	Very low	33	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	80%	0.798	S	S	*	*			trans	179	123.4	130.9	-93.6	-12.3	0	0	0	113
761	S	28.9	Very low	33.2	Very low	120 Å²	120	145.8 Å²	145.8	84%	0.839	80%	0.801	S	S	*	*			trans	-149.4	112.7	168	47.1	0	0	0	0	110.5
762	A	36.5	Very low	32.8	Very low	104 Å²	104	141.4 Å²	141.4	86%	0.86	79%	0.792	S	S	*	*			trans	-139.1	151.2	172.4	0	0	0	0	0	108.6
763	K	28.6	Very low	33.1	Very low	206 Å²	206	147.8 Å²	147.8	90%	0.896	80%	0.802	S	S	*	*			trans	-128.3	103.2	-158.1	-174	-175.8	-179.6	-173.6	0	111
764	I	34.6	Very low	32.7	Very low	147 Å²	147	144.8 Å²	144.8	75%	0.754	80%	0.796	S	S	*	*			trans	-136.4	99	173.2	-55.1	178.4	0	0	0	104.4
765	E	26.8	Very low	32.4	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.822	80%	0.796	S	S	*	*				72.3	95.6	76.6	-169	168.2	-117	0	0	112.1
766	F	36.6	Very low	32	Very low	196 Å²	196	145.7 Å²	145.7	86%	0.86	80%	0.799	S	S	*	*			trans	-112.8	132.9	165.2	-79.6	-80.7	0	0	0	108.4
767	P	42.2	Very low	31.9	Very low	109 Å²	109	146.8 Å²	146.8	71%	0.708	81%	0.805	S	S	*	*			trans	-82.5	143.2	-169.9	31.6	-35.6	0	0	0	113
768	P	35	Very low	31.9	Very low	126 Å²	126	145.6 Å²	145.6	82%	0.818	81%	0.811	S	S	*	*			trans	-75.6	141.3	166.8	32.4	-33.1	0	0	0	110.5
769	K	36.4	Very low	32	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	81%	0.81	S	S	*	*			trans	-106.7	108	162.2	-80.2	-169.9	174.1	-177.4	0	109.9
770	S	31.4	Very low	31.7	Very low	125 Å²	125	147 Å²	147	87%	0.874	82%	0.82	S	S	*	*			trans	-74	152.5	164.9	46.7	0	0	0	0	110.6
771	G	31.4	Very low	32.1	Very low	82 Å²	82	144.3 Å²	144.3	85%	0.845	81%	0.811	S	S	*	*			trans	-168.6	61.2	-175.7	0	0	0	0	0	111.4
772	S	28.3	Very low	32	Very low	102 Å²	102	146 Å²	146	71%	0.713	81%	0.809	S	S	*	*			trans	-75.6	130.3	175.5	178.4	0	0	0	0	110.8
773	Y	33.7	Very low	31.7	Very low	238 Å²	238	149.8 Å²	149.8	93%	0.933	81%	0.809	S	S	*	*			trans	-153.1	157.6	139.2	-82.1	-60.1	0	0	0	109.6
774	S	26	Very low	31.6	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	80%	0.802	S	S	*	*			trans	-154.3	158.6	-175.2	-176.4	0	0	0	0	110.3
775	V	26.9	Very low	31.2	Very low	131 Å²	131	145.8 Å²	145.8	79%	0.794	80%	0.798	S	S	*	*			trans	65.6	130.6	-178.8	-140.7	0	0	0	0	111.4
776	T	32.4	Very low	31.4	Very low	113 Å²	113	143.7 Å²	143.7	69%	0.693	79%	0.792	S	S	*	*			cis	-148.2	156.2	42.3	48	0	0	0	0	114.2
777	D	27.9	Very low	31.1	Very low	134 Å²	134	141.4 Å²	141.4	72%	0.717	78%	0.784	S	S	*	*			trans	32.3	129.4	143.9	-56	-41.9	0	0	0	121.9
778	L	31.3	Very low	30.5	Very low	175 Å²	175	143.6 Å²	143.6	92%	0.916	79%	0.787	S	S	*	*				-156.5	139.9	109.2	-108	170.1	0	0	0	111.9
779	T	34.4	Very low	30.4	Very low	127 Å²	127	143.5 Å²	143.5	78%	0.779	78%	0.778	S	S	*	*			trans	-106.8	169.1	-177.3	41.8	0	0	0	0	113
780	K	26.9	Very low	30.3	Very low	194 Å²	194	140.9 Å²	140.9	84%	0.843	77%	0.774	S	S	*	*			trans	-70.5	-179.1	178.2	-48.8	176.4	-177.7	175.9	0	110.9
781	P	37	Very low	30.2	Very low	110 Å²	110	138.3 Å²	138.3	71%	0.714	77%	0.767	S	S	*	*			cis	-148.8	168.6	10.4	43.3	-22.7	0	0	0	120.1
782	I	27.1	Very low	30.3	Very low	154 Å²	154	145.5 Å²	145.5	79%	0.79	77%	0.769	S	S	*	*			trans	18.7	119.8	138.2	-47.5	168.1	0	0	0	120.9
783	Q	29.9	Very low	30.5	Very low	185 Å²	185	146.7 Å²	146.7	86%	0.864	77%	0.767	S	S	*	*				-176.8	136.5	125	-98.3	173.5	2.5	0	0	107.2
784	L	27.6	Very low	30.5	Very low	143 Å²	143	142.4 Å²	142.4	75%	0.749	76%	0.756	S	S	*	*			cis	101.9	106.2	33.5	-158.9	87.8	0	0	0	113.2
785	D	26.7	Very low	30.9	Very low	126 Å²	126	145.7 Å²	145.7	67%	0.674	76%	0.76	S	S	*	*			trans	65.8	122.4	153.1	-66.7	-0.3	0	0	0	124
786	N	30	Very low	31.2	Very low	131 Å²	131	144 Å²	144	70%	0.701	75%	0.753	S	S	*	*				132.2	130	111.3	-96.1	-30.3	0	0	0	120.7
787	H	30.1	Very low	31.2	Very low	148 Å²	148	144.6 Å²	144.6	69%	0.685	75%	0.753	S	S	*	*			trans	75.6	124	145.1	-80.1	-57.5	0	0	0	125.1
788	M	31	Very low	31.3	Very low	155 Å²	155	146.4 Å²	146.4	76%	0.764	76%	0.756	S	S	*	*			trans	77.2	148	135.5	-74.1	-163.3	176.8	0	0	120.8
789	I	32.8	Very low	31.3	Very low	125 Å²	125	142 Å²	142	64%	0.641	75%	0.745	S	S	*	*			cis	-162.8	162.2	-25	-133.8	174.4	0	0	0	109.9
790	N	33	Very low	31.2	Very low	156 Å²	156	141.5 Å²	141.5	83%	0.834	75%	0.747	S	S	*	*			trans	64.6	144.5	175	-63.4	-25.7	0	0	0	118.1
791	G	30.3	Very low	31.3	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	74%	0.743	S	S	*	*			cis	142.1	126.1	-16.6	0	0	0	0	0	115.7
792	R	32.4	Very low	30.9	Very low	232 Å²	232	140.3 Å²	140.3	88%	0.875	75%	0.752	S	S	*	*			trans	-170.2	135.3	154.9	-117.3	179.7	177	163.4	0.7	114
793	N	33.7	Very low	31.1	Very low	127 Å²	127	139.7 Å²	139.7	68%	0.679	76%	0.755	S	S	*	*			trans	59.7	151.6	150.5	-63.2	4.7	0	0	0	120.8
794	Q	33.7	Very low	31.1	Very low	148 Å²	148	135.8 Å²	135.8	69%	0.692	75%	0.748	S	S	*	*			cis	-172.8	139.8	-37.1	-122.6	179	28.5	0	0	108.7
795	Q	33.9	Very low	31	Very low	175 Å²	175	137 Å²	137	82%	0.818	76%	0.755	S	S	*	*			trans	63.6	153.8	162.8	-68.2	173.3	-6.8	0	0	117.2
796	S	34.1	Very low	31.3	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	76%	0.757	S	S	*	*			cis	-166.8	156.2	-15.2	47.5	0	0	0	0	112.2
797	N	32	Very low	31.1	Very low	127 Å²	127	137.5 Å²	137.5	68%	0.679	76%	0.761	S	S	*	*			trans	73	137.5	156.5	-69.2	24.8	0	0	0	122.1
798	E	30.3	Very low	31.2	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	77%	0.767	S	S	*	*			trans	59.2	145.9	141.9	-67.8	161.7	-121.2	0	0	120.5
799	A	30.9	Very low	31.3	Very low	82 Å²	82	138.5 Å²	138.5	68%	0.678	77%	0.767	S	S	*	*			cis	-161.8	174.6	-19.1	0	0	0	0	0	108.9
800	S	31.7	Very low	31.2	Very low	117 Å²	117	140.3 Å²	140.3	82%	0.818	78%	0.776	S	S	*	*			trans	25.8	137.6	155.4	-54	0	0	0	0	121.4
801	S	30.1	Very low	31.2	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	77%	0.774	S	S	*	*			cis	-176.2	145.8	-2.4	47.4	0	0	0	0	109
802	L	27.1	Very low	31.3	Very low	172 Å²	172	143.5 Å²	143.5	90%	0.901	78%	0.775	S	S	*	*			trans	-135.7	124.5	174.6	-75.4	176	0	0	0	112.4
803	T	31.9	Very low	31.3	Very low	141 Å²	141	138.2 Å²	138.2	87%	0.865	77%	0.771	S	S	*	*			trans	-174.7	156.4	160.8	19.6	0	0	0	0	107.8
804	S	29.1	Very low	31.4	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	77%	0.773	S	S	*	*			cis	-141.2	158	16.5	-61.2	0	0	0	0	113
805	L	27	Very low	31.6	Very low	169 Å²	169	137 Å²	137	89%	0.885	77%	0.773	S	S	*	*			trans	-111.8	165.9	137.3	-88.3	171.9	0	0	0	109.3
806	T	31.9	Very low	31.7	Very low	120 Å²	120	136.8 Å²	136.8	74%	0.736	77%	0.769	S	S	*	*			trans	-52.6	150.8	-172.6	52.7	0	0	0	0	116.2
807	L	26.6	Very low	31.6	Very low	147 Å²	147	136.7 Å²	136.7	77%	0.77	77%	0.768	S	S	*	*				-177.7	150.5	123.7	-96.8	166.4	0	0	0	113.7
808	Y	31	Very low	31.7	Very low	210 Å²	210	137.9 Å²	137.9	82%	0.824	77%	0.773	S	S	*	*			trans	48.2	138.2	164.6	-73	-65.4	0	0	0	123.2
809	P	34.8	Very low	31.7	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	77%	0.767	S	S	*	*			trans	-113.8	135.5	172	37.9	-27.4	0	0	0	115.1
810	I	30.6	Very low	31.8	Very low	163 Å²	163	141.5 Å²	141.5	84%	0.836	77%	0.771	S	S	*	*			trans	-138.6	134.7	149.4	-62.6	-173.5	0	0	0	109.6
811	Q	31.6	Very low	31.6	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	77%	0.768	S	S	*	*			trans	-24.8	153.6	161.2	-73.8	164.1	-25.6	0	0	117.5
812	T	33.6	Very low	31.6	Very low	121 Å²	121	143.2 Å²	143.2	74%	0.742	77%	0.766	S	S	*	*			cis	-160	174.5	9.3	31.8	0	0	0	0	110.5
813	P	32.8	Very low	31.7	Very low	121 Å²	121	145.4 Å²	145.4	79%	0.786	76%	0.762	S	S	*	*			trans	-116.3	164.5	148.6	37.6	-29.2	0	0	0	114.1
814	S	34.7	Very low	31.6	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	76%	0.757	S	S	*	*			trans	75.8	125.2	175.2	-159.8	0	0	0	0	117.1
815	Q	37.8	Very low	31.6	Very low	146 Å²	146	145.5 Å²	145.5	68%	0.682	75%	0.749	S	S	*	*			cis	-153.9	146.1	-9.1	-120.4	-173.6	77.7	0	0	112.5
816	K	36.4	Very low	31.6	Very low	169 Å²	169	144.7 Å²	144.7	74%	0.735	74%	0.738	S	S	*	*			trans	55.7	83.3	150.5	-66.6	175.7	-177.2	161.6	0	121.9
817	S	32.3	Very low	31.6	Very low	93 Å²	93	146.6 Å²	146.6	65%	0.65	74%	0.739	S	S	*	*				16.4	133	116.7	64.9	0	0	0	0	122.6
818	I	33.5	Very low	31.5	Very low	152 Å²	152	146 Å²	146	78%	0.779	74%	0.736	S	S	*	*				67.4	129.5	123.7	-63.4	173.6	0	0	0	117.3
819	N	31.3	Very low	31.6	Very low	125 Å²	125	142.4 Å²	142.4	67%	0.668	73%	0.73	S	S	*	*			cis	-162	164.8	24.3	-137.1	-16.4	0	0	0	115.5
820	R	31.2	Very low	31.5	Very low	204 Å²	204	145.5 Å²	145.5	77%	0.77	73%	0.731	S	S	*	*			trans	67	145.4	147.3	-77.1	-179.2	-176.6	-171.6	-0.7	124
821	Q	28.7	Very low	31.6	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	73%	0.727	S	S	*	*			trans	37.3	120.6	156.6	-91.3	70.8	-1.2	0	0	118.7
822	S	30.3	Very low	31.7	Very low	102 Å²	102	140.4 Å²	140.4	71%	0.713	72%	0.724	S	S	*	*			cis	172.2	170	40.3	57.1	0	0	0	0	112.2
823	R	28.3	Very low	31.4	Very low	218 Å²	218	144 Å²	144	82%	0.823	73%	0.729	S	S	*	*			trans	57	127.3	151.9	-81	-174.3	164.5	177.8	-3	122.1
824	L	30.5	Very low	31.5	Very low	146 Å²	146	146.3 Å²	146.3	76%	0.764	73%	0.727	S	S	*	*			trans	66.3	148.8	142.7	-88.4	80.5	0	0	0	117.9
825	D	27.7	Very low	31.3	Very low	99 Å²	99	151.7 Å²	151.7	53%	0.529	73%	0.731	S	S	.	*			cis	-157.9	-169.6	-17.3	-151	-27.2	0	0	0	108.6
826	K	27.8	Very low	31.1	Very low	151 Å²	151	152.1 Å²	152.1	66%	0.657	74%	0.736	S	S	*	*			trans	4.4	134.5	142.7	-71.5	147.4	-153.1	147.6	0	116.4
827	Q	31.4	Very low	30.8	Very low	161 Å²	161	153.8 Å²	153.8	75%	0.752	74%	0.744	S	S	*	*			cis	-166.5	137.9	30.7	-114	155.1	33.3	0	0	109.6
828	N	25.8	Very low	30.8	Very low	135 Å²	135	152.9 Å²	152.9	72%	0.722	75%	0.749	S	S	*	*				64.2	112.2	92.4	-176.5	26.6	0	0	0	116
829	I	32	Very low	30.7	Very low	134 Å²	134	153.1 Å²	153.1	69%	0.687	75%	0.752	S	S	*	*			trans	-172.5	118.8	133.8	-102.2	156.8	0	0	0	112.3
830	K	32.3	Very low	30.7	Very low	180 Å²	180	150.6 Å²	150.6	78%	0.783	76%	0.756	S	S	*	*			trans	51.3	148.8	145.7	-53.6	171.3	-167.5	167	0	120.1
831	S	33.7	Very low	30.8	Very low	106 Å²	106	147 Å²	147	74%	0.741	76%	0.758	S	S	*	*			cis	176.4	152.9	-15	55.6	0	0	0	0	107.1
832	V	33.5	Very low	31.2	Very low	121 Å²	121	145.4 Å²	145.4	73%	0.733	77%	0.765	S	S	*	*			cis	-151.5	150.1	22.8	173.9	0	0	0	0	107.4
833	K	28.2	Very low	31.4	Very low	198 Å²	198	145.5 Å²	145.5	86%	0.861	77%	0.772	S	S	*	*			cis	98.6	48.8	8.6	-152.4	-179.4	178.2	177.7	0	119.5
834	K	33.4	Very low	31.8	Very low	168 Å²	168	146.9 Å²	146.9	73%	0.73	78%	0.777	S	S	*	*			trans	-158.7	122.7	155.4	-100.8	154.5	-170.2	-177.2	0	111.4
835	R	30.6	Very low	31.7	Very low	218 Å²	218	151.2 Å²	151.2	82%	0.823	78%	0.783	S	S	*	*				69.7	142.3	91.4	-67.2	-166.6	-133.9	170.4	0.9	113.7
836	I	35	Very low	31.9	Very low	156 Å²	156	152.8 Å²	152.8	80%	0.8	80%	0.801	S	S	*	*			cis	-130.5	137.7	26	-62.4	166.1	0	0	0	112.2
837	F	30.1	Very low	31.9	Very low	204 Å²	204	151.8 Å²	151.8	90%	0.895	81%	0.807	S	S	*	*			trans	-104.3	145.9	152.4	-93.2	-87	0	0	0	108.5
838	G	32.1	Very low	32	Very low	73 Å²	73	156 Å²	156	75%	0.753	82%	0.816	S	S	*	*			trans	-138.2	125	169.8	0	0	0	0	0	109.4
839	N	31	Very low	32.3	Very low	158 Å²	158	154.3 Å²	154.3	85%	0.845	82%	0.815	S	S	*	*			trans	-95	146.7	-170.1	-67.3	-19.5	0	0	0	112.4
840	G	31.5	Very low	32.2	Very low	72 Å²	72	155.9 Å²	155.9	74%	0.742	82%	0.823	S	S	*	*			trans	-154.9	107.2	169.9	0	0	0	0	0	110.8
841	P	32.7	Very low	32	Very low	127 Å²	127	151.1 Å²	151.1	83%	0.825	81%	0.813	S	S	*	*			trans	-99.9	102.1	-168.5	34.6	-31.5	0	0	0	113.8
842	S	37.1	Very low	31.7	Very low	126 Å²	126	154.5 Å²	154.5	88%	0.881	82%	0.816	S	S	*	*			trans	-167.3	92.4	157.8	-88.5	0	0	0	0	114.5
843	A	35.3	Very low	31.3	Very low	104 Å²	104	156 Å²	156	86%	0.86	82%	0.818	S	S	*	*			trans	-167.1	145.2	147	0	0	0	0	0	108.8
844	R	35.7	Very low	31.3	Very low	247 Å²	247	151.8 Å²	151.8	93%	0.932	81%	0.814	S	S	*	*			trans	-101.7	133.2	-176.8	-62.1	-177.2	-172.9	-169.8	2.4	111.6
845	R	29.7	Very low	30.9	Very low	237 Å²	237	148.6 Å²	148.6	89%	0.894	81%	0.813	S	S	*	*			trans	25.6	96.3	150.4	-174.5	-169.3	-79.7	-171.3	-6	116.1
846	C	30.3	Very low	30.8	Very low	133 Å²	133	142.5 Å²	142.5	90%	0.899	80%	0.802	S	S	*	*			trans	-144.3	107.3	148.2	-125.4	0	0	0	0	109.7
847	T	28.5	Very low	30.7	Very low	130 Å²	130	143.3 Å²	143.3	80%	0.798	80%	0.8	S	S	*	*			trans	-100.8	111.9	-177.5	46.7	0	0	0	0	110.8
848	R	33.2	Very low	30.7	Very low	249 Å²	249	141.3 Å²	141.3	94%	0.94	80%	0.798	S	S	*	*			trans	-151.1	151.2	156.7	-109.6	167.9	-168.1	-98.2	-1.5	110.1
849	S	32.2	Very low	31.2	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	78%	0.782	S	S	*	*			trans	-81.8	152.1	-164.5	46.7	0	0	0	0	114.2	S851	S849-S851 PolarHBondContact O-N 2.92Å; S849-S851 VanDerWaalsContact O-N 3.16Å
850	I	29.3	Very low	31.7	Very low	168 Å²	168	135.7 Å²	135.7	86%	0.862	75%	0.753	S	S	*	*			trans	-76.8	96.6	170.2	-60.4	171.2	0	0	0	108.2
851	S	28.3	Very low	32.2	Very low	80 Å²	80	135 Å²	135	56%	0.559	73%	0.732	S	S	*	*			trans	-156.4	38.2	178.7	65	0	0	0	0	114.5	S849	S849-S851 PolarHBondContact O-N 2.92Å; S849-S851 VanDerWaalsContact O-N 3.16Å
852	H	27.4	Very low	32.6	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.815	69%	0.694	S	S	*	*			trans	-148.8	94.4	162.9	-85.5	-67.1	0	0	0	110.9
853	I	26.3	Very low	33.1	Very low	152 Å²	152	127.7 Å²	127.7	78%	0.779	67%	0.67	S	S	*	*			trans	-123.4	150.3	160.4	-65.8	178	0	0	0	105.7
854	S	26.8	Very low	33.7	Very low	110 Å²	110	124.3 Å²	124.3	77%	0.769	64%	0.635	S	S	*	*			trans	60	85.5	-173.5	60.5	0	0	0	0	116.5
855	S	25.9	Very low	34.4	Very low	101 Å²	101	112.8 Å²	112.8	71%	0.706	59%	0.592	S	S	*	*			trans	-155.6	68.6	151.4	64.7	0	0	0	0	112.5
856	P	28.6	Very low	35.5	Very low	91 Å²	91	107.2 Å²	107.2	59%	0.591	57%	0.571	S	S	*	*			trans	-72	167.7	163.8	33.4	-34	0	0	0	111.2
857	F	33	Very low	36.5	Very low	172 Å²	172	102.3 Å²	102.3	75%	0.754	54%	0.54	S	S	*	.			trans	68.6	62.2	172.7	-41.7	-60	0	0	0	116.6	I859	F857-I859 VanDerWaalsContact C-N 3.31Å; F857-I859 HydrophobicContact CB-CD1 4.49Å; F857-I859 HydrophobicContact CB-CG1 4.45Å; F857-I859 HydrophobicContact CD1-CD1 4.46Å; F857-I859 PolarHBondContact O-N 3.1Å
858	N	30.6	Very low	37.4	Very low	162 Å²	162	97.6 Å²	97.6	87%	0.866	51%	0.512	S	S	*	.			trans	-84.9	81.2	150.3	-139.4	4.3	0	0	0	107.9
859	I	41	Very low	38.2	Very low	80 Å²	80	90.4 Å²	90.4	41%	0.41	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-96.1	117	171.9	-59.9	173	0	0	0	106.3	F540 F857	F540-I859 HydrophobicContact CZ-CD1 4.43Å; F857-I859 VanDerWaalsContact C-N 3.31Å; F857-I859 HydrophobicContact CB-CD1 4.49Å; F857-I859 HydrophobicContact CB-CG1 4.45Å; F857-I859 HydrophobicContact CD1-CD1 4.46Å; F857-I859 PolarHBondContact O-N 3.1Å
860	S	41.7	Very low	39.3	Very low	34 Å²	34	90.7 Å²	90.7	24%	0.238	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-99.1	138.3	178.8	78.5	0	0	0	0	111.4	D641	D641-S860 WeakPolarHBondContact CB-OG 3.28Å; D641-S860 VanDerWaalsContact CG-OG 3.28Å; D641-S860 PolarHBondContact OD2-N 3.46Å; D641-S860 PolarHBondContact OD2-OG 3.34Å
861	L	41.8	Very low	40.2	Very low	58 Å²	58	87.4 Å²	87.4	30%	0.304	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-67.1	137.4	-176.2	-63	169.3	0	0	0	110	I865 Y869	L861-I865 HydrophobicContact CB-CB 4.17Å; L861-I865 HydrophobicContact CB-CG2 4.01Å; L861-I865 HydrophobicContact CD1-CG2 4.07Å; L861-I865 HydrophobicContact CD2-CG2 4.16Å; L861-I865 HydrophobicContact CG-CG2 4.3Å; L861-Y869 HydrophobicContact CD1-CD2 3.99Å; L861-Y869 HydrophobicContact CD1-CE2 4.03Å
862	P	42.5	Very low	41.2	Very low	5 Å²	5	87.9 Å²	87.9	3%	0.032	45%	0.452	C	S	.	.			trans	-43.6	141.1	169.1	-30.7	33.6	0	0	0	112.2	S640 W864 I865 R866	S640-P862 WeakPolarHBondContact OG-CA 3.5Å; P862-W864 PolarHBondContact O-N 2.95Å; P862-I865 HydrophobicContact CB-CD1 4.33Å; P862-I865 HydrophobicContact CB-CG1 4.33Å; P862-I865 HydrophobicContact CG-CD1 4.12Å; P862-I865 WeakPolarHBondContact O-CA 3.46Å; P862-I865 WeakPolarHBondContact O-CB 3.35Å; P862-I865 PolarHBondContact O-N 2.81Å; P862-R866 PolarHBondContact O-N 3.15Å
863	Y	46.7	Very low	42.2	Very low	94 Å²	94	85 Å²	85	37%	0.369	44%	0.44	S	S	.	.	H	α-helix	trans	-56.7	-34.5	-164	99.9	-83.7	0	0	0	113.9	S640 F651 E676 R866 A867	S640-Y863 PolarHBondContact OG-N 3.04Å; F651-Y863 AromaticContact CE1-CE1 3.75Å; F651-Y863 HydrophobicContact CE1-CE1 3.75Å; E676-Y863 WeakPolarHBondContact CG-OH 3.26Å; E676-Y863 PolarHBondContact OE2-OH 3.28Å; Y863-R866 WeakPolarHBondContact O-CB 3.41Å; Y863-R866 PolarHBondContact O-N 2.98Å; Y863-A867 WeakPolarHBondContact O-CB 3.42Å; Y863-A867 PolarHBondContact O-N 3Å
864	W	47.7	Very low	43.2	Very low	32 Å²	32	82 Å²	82	12%	0.121	43%	0.426	C	S	.	.	H	α-helix	trans	-74.3	-26.1	178.8	63.5	-96.6	0	0	0	112.6	Q545 D546 I637 P862 S868	Q545-W864 HydrophobicContact CB-CZ3 4.28Å; Q545-W864 HydrophobicContact CG-CZ3 4.49Å; D546-W864 HydrophobicContact CB-CH2 4.35Å; D546-W864 WeakPolarHBondContact OD1-CH2 3.38Å; I637-W864 HydrophobicContact CD1-CZ2 4.34Å; P862-W864 PolarHBondContact O-N 2.95Å; W864-S868 WeakPolarHBondContact O-CB 3.45Å; W864-S868 PolarHBondContact O-N 3.41Å
865	I	51	Low	44	Very low	6 Å²	6	83 Å²	83	3%	0.031	42%	0.419	C	S	.	.	H	α-helix	trans	-72.4	-44.6	167.6	-59.5	-177.3	0	0	0	109.1	L861 P862 A867 S868 Y869	L861-I865 HydrophobicContact CB-CB 4.17Å; L861-I865 HydrophobicContact CB-CG2 4.01Å; L861-I865 HydrophobicContact CD1-CG2 4.07Å; L861-I865 HydrophobicContact CD2-CG2 4.16Å; L861-I865 HydrophobicContact CG-CG2 4.3Å; P862-I865 HydrophobicContact CB-CD1 4.33Å; P862-I865 HydrophobicContact CB-CG1 4.33Å; P862-I865 HydrophobicContact CG-CD1 4.12Å; P862-I865 WeakPolarHBondContact O-CA 3.46Å; P862-I865 WeakPolarHBondContact O-CB 3.35Å; P862-I865 PolarHBondContact O-N 2.81Å; I865-A867 VanDerWaalsContact C-N 3.34Å; I865-A867 PolarHBondContact O-N 3.02Å; I865-S868 CarbonylContact O-C 3.52Å; I865-S868 PolarHBondContact O-N 3.14Å; I865-Y869 HydrophobicContact CG2-CD2 3.77Å; I865-Y869 HydrophobicContact CG2-CE2 3.83Å; I865-Y869 WeakPolarHBondContact O-CD2 3.47Å; I865-Y869 PolarHBondContact O-N 3.29Å
866	R	53.7	Low	44.8	Very low	119 Å²	119	81.5 Å²	81.5	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-55.3	-49.2	173.2	173.7	177.2	-72	148	0.6	111.1	P862 Y863 S868 Y869 E870	P862-R866 PolarHBondContact O-N 3.15Å; Y863-R866 WeakPolarHBondContact O-CB 3.41Å; Y863-R866 PolarHBondContact O-N 2.98Å; R866-S868 PolarHBondContact O-N 2.97Å; R866-Y869 WeakPolarHBondContact O-CB 3.06Å; R866-Y869 PolarHBondContact O-N 3.09Å; R866-Y869 VanDerWaalsContact O-N 3.08Å; R866-E870 VanDerWaalsContact CD-OE1 3.25Å; R866-E870 WeakPolarHBondContact CD-OE1 3.48Å; R866-E870 HydrophobicContact CG-CG 4.3Å; R866-E870 WeakPolarHBondContact CG-OE1 3.48Å; R866-E870 WeakPolarHBondContact O-CG 3.34Å; R866-E870 PolarHBondContact O-N 3.47Å
867	A	51.2	Low	45.4	Very low	31 Å²	31	82.3 Å²	82.3	26%	0.256	40%	0.404	S	S	.	.	H	α-helix	trans	-57.1	-48.9	175	0	0	0	0	0	111.7	Y863 I865 Y869 E870 D871	Y863-A867 WeakPolarHBondContact O-CB 3.42Å; Y863-A867 PolarHBondContact O-N 3Å; I865-A867 VanDerWaalsContact C-N 3.34Å; I865-A867 PolarHBondContact O-N 3.02Å; A867-Y869 PolarHBondContact O-N 3.24Å; A867-Y869 VanDerWaalsContact O-N 3.12Å; A867-E870 PolarHBondContact O-N 3.04Å; A867-D871 VanDerWaalsContact O-CG 3.31Å; A867-D871 PolarHBondContact O-N 3.09Å
868	S	47	Very low	45.9	Very low	30 Å²	30	79.3 Å²	79.3	21%	0.21	40%	0.396	C	S	.	.	H	α-helix	trans	-66	-13.7	177.4	-171.2	0	0	0	0	114.7	Q545 W864 I865 R866	Q545-S868 PolarHBondContact NE2-OG 3.08Å; W864-S868 WeakPolarHBondContact O-CB 3.45Å; W864-S868 PolarHBondContact O-N 3.41Å; I865-S868 CarbonylContact O-C 3.52Å; I865-S868 PolarHBondContact O-N 3.14Å; R866-S868 PolarHBondContact O-N 2.97Å
869	Y	50.5	Low	46.4	Very low	98 Å²	98	79 Å²	79	38%	0.384	39%	0.389	S	S	.	.	H	α-helix	trans	-90	-39.8	168.1	-93.9	-86.1	0	0	0	111.7	L861 I865 R866 A867 K872 M873	L861-Y869 HydrophobicContact CD1-CD2 3.99Å; L861-Y869 HydrophobicContact CD1-CE2 4.03Å; I865-Y869 HydrophobicContact CG2-CD2 3.77Å; I865-Y869 HydrophobicContact CG2-CE2 3.83Å; I865-Y869 WeakPolarHBondContact O-CD2 3.47Å; I865-Y869 PolarHBondContact O-N 3.29Å; R866-Y869 WeakPolarHBondContact O-CB 3.06Å; R866-Y869 PolarHBondContact O-N 3.09Å; R866-Y869 VanDerWaalsContact O-N 3.08Å; A867-Y869 PolarHBondContact O-N 3.24Å; A867-Y869 VanDerWaalsContact O-N 3.12Å; Y869-K872 PolarHBondContact O-N 3.36Å; Y869-M873 VanDerWaalsContact O-CG 3.25Å; Y869-M873 WeakPolarHBondContact O-CG 3.39Å; Y869-M873 PolarHBondContact O-N 3.4Å
870	E	53.6	Low	46.5	Very low	106 Å²	106	80.6 Å²	80.6	50%	0.495	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-42.6	175.1	-73.7	167.6	-175.4	0	0	110.8	R866 A867 M873 N874	R866-E870 VanDerWaalsContact CD-OE1 3.25Å; R866-E870 WeakPolarHBondContact CD-OE1 3.48Å; R866-E870 HydrophobicContact CG-CG 4.3Å; R866-E870 WeakPolarHBondContact CG-OE1 3.48Å; R866-E870 WeakPolarHBondContact O-CG 3.34Å; R866-E870 PolarHBondContact O-N 3.47Å; A867-E870 PolarHBondContact O-N 3.04Å; E870-M873 PolarHBondContact O-N 3.15Å; E870-N874 PolarHBondContact O-N 3.13Å; E870-N874 PolarHBondContact O-ND2 2.97Å
871	D	50.1	Low	46.4	Very low	98 Å²	98	84.7 Å²	84.7	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-57.2	-49.9	172.6	-68.6	-29.9	0	0	0	111.8	A867 M873 N874 E875	A867-D871 VanDerWaalsContact O-CG 3.31Å; A867-D871 PolarHBondContact O-N 3.09Å; D871-M873 VanDerWaalsContact C-N 3.33Å; D871-M873 PolarHBondContact O-N 2.96Å; D871-N874 WeakPolarHBondContact O-CB 3.49Å; D871-N874 PolarHBondContact O-N 3.03Å; D871-N874 VanDerWaalsContact O-N 3.13Å; D871-E875 PolarHBondContact O-N 3.41Å
872	K	48.4	Very low	45.9	Very low	90 Å²	90	92.2 Å²	92.2	39%	0.391	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-35.7	177.5	-81.8	-171.6	175.6	-172.7	0	113.4	E543 Y869 N874 T876	E543-K872 IonicContact OE2-NZ 3.88Å; E543-K872 PolarHBondContact OE2-NZ 2.91Å; Y869-K872 PolarHBondContact O-N 3.36Å; K872-N874 VanDerWaalsContact C-N 3.33Å; K872-T876 PolarHBondContact O-N 3.32Å; K872-T876 VanDerWaalsContact O-N 3.07Å; K872-T876 PolarHBondContact O-OG1 3.11Å
873	M	47.7	Very low	46.1	Very low	115 Å²	115	96.6 Å²	96.6	57%	0.567	49%	0.487	S	S	*	.	H	α-helix	trans	-68.3	-36.2	175	-71.5	-71.5	172.7	0	0	110.9	Y869 E870 D871 T876 L877	Y869-M873 VanDerWaalsContact O-CG 3.25Å; Y869-M873 WeakPolarHBondContact O-CG 3.39Å; Y869-M873 PolarHBondContact O-N 3.4Å; E870-M873 PolarHBondContact O-N 3.15Å; D871-M873 VanDerWaalsContact C-N 3.33Å; D871-M873 PolarHBondContact O-N 2.96Å; M873-T876 PolarHBondContact O-OG1 3.25Å; M873-L877 VanDerWaalsContact O-CB 3.29Å; M873-L877 WeakPolarHBondContact O-CB 3.46Å; M873-L877 WeakPolarHBondContact O-CG 3.33Å; M873-L877 PolarHBondContact O-N 3.12Å
874	N	47.1	Very low	46.1	Very low	89 Å²	89	96.7 Å²	96.7	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-71.4	-38.7	175.3	-66.9	-34.5	0	0	0	112.3	E870 D871 K872 N878	E870-N874 PolarHBondContact O-N 3.13Å; E870-N874 PolarHBondContact O-ND2 2.97Å; D871-N874 WeakPolarHBondContact O-CB 3.49Å; D871-N874 PolarHBondContact O-N 3.03Å; D871-N874 VanDerWaalsContact O-N 3.13Å; K872-N874 VanDerWaalsContact C-N 3.33Å; N874-N878 PolarHBondContact O-N 3.08Å; N874-N878 VanDerWaalsContact O-N 3.13Å; N874-N878 PolarHBondContact O-ND2 3.49Å
875	E	44	Very low	46	Very low	132 Å²	132	100.3 Å²	100.3	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-59.1	-52.6	172.1	-73.3	179.4	145.1	0	0	110.9	D871 L877 N878 E879	D871-E875 PolarHBondContact O-N 3.41Å; E875-L877 PolarHBondContact O-N 3.5Å; E875-N878 PolarHBondContact O-N 2.92Å; E875-N878 VanDerWaalsContact O-N 3.15Å; E875-E879 PolarHBondContact O-N 3.36Å
876	T	44	Very low	45.7	Very low	69 Å²	69	105.8 Å²	105.8	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-68.3	-31.8	-178.6	47.2	0	0	0	0	113.9	K872 M873 E879 T880	K872-T876 PolarHBondContact O-N 3.32Å; K872-T876 VanDerWaalsContact O-N 3.07Å; K872-T876 PolarHBondContact O-OG1 3.11Å; M873-T876 PolarHBondContact O-OG1 3.25Å; T876-E879 PolarHBondContact O-N 2.69Å; T876-T880 PolarHBondContact O-N 3.07Å; T876-T880 PolarHBondContact O-OG1 2.81Å
877	L	40.2	Very low	45.2	Very low	109 Å²	109	105 Å²	105	57%	0.571	55%	0.548	S	S	*	.	H	α-helix	trans	-65.2	-36.8	170.5	-88.9	161.6	0	0	0	112.4	M873 E875 T880 V881	M873-L877 VanDerWaalsContact O-CB 3.29Å; M873-L877 WeakPolarHBondContact O-CB 3.46Å; M873-L877 WeakPolarHBondContact O-CG 3.33Å; M873-L877 PolarHBondContact O-N 3.12Å; E875-L877 PolarHBondContact O-N 3.5Å; L877-T880 PolarHBondContact O-N 3.17Å; L877-V881 VanDerWaalsContact O-CG2 3.31Å; L877-V881 WeakPolarHBondContact O-CG2 3.49Å
878	N	42.9	Very low	44.8	Very low	108 Å²	108	109.9 Å²	109.9	58%	0.578	57%	0.568	S	S	*	*	H	α-helix	trans	-72.2	-36.4	176.1	-71.8	-43.4	0	0	0	112.3	N874 E875 T880 V881	N874-N878 PolarHBondContact O-N 3.08Å; N874-N878 VanDerWaalsContact O-N 3.13Å; N874-N878 PolarHBondContact O-ND2 3.49Å; E875-N878 PolarHBondContact O-N 2.92Å; E875-N878 VanDerWaalsContact O-N 3.15Å; N878-T880 PolarHBondContact O-N 2.77Å; N878-V881 PolarHBondContact O-N 3.01Å
879	E	41.9	Very low	44.6	Very low	156 Å²	156	115.6 Å²	115.6	73%	0.729	59%	0.593	S	S	*	*	H	α-helix	trans	-68.4	-11.6	172.5	-71.4	-169.3	144.2	0	0	113.9	E875 T876	E875-E879 PolarHBondContact O-N 3.36Å; T876-E879 PolarHBondContact O-N 2.69Å
880	T	43	Very low	44.2	Very low	114 Å²	114	117 Å²	117	70%	0.699	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	6.8	177.3	-39.9	0	0	0	0	112.8	T876 L877 N878	T876-T880 PolarHBondContact O-N 3.07Å; T876-T880 PolarHBondContact O-OG1 2.81Å; L877-T880 PolarHBondContact O-N 3.17Å; N878-T880 PolarHBondContact O-N 2.77Å
881	V	39.6	Very low	43.4	Very low	120 Å²	120	117.9 Å²	117.9	73%	0.727	62%	0.619	S	S	*	*			trans	-126.4	9.8	-176.8	177.6	0	0	0	0	112	L877 N878	L877-V881 VanDerWaalsContact O-CG2 3.31Å; L877-V881 WeakPolarHBondContact O-CG2 3.49Å; N878-V881 PolarHBondContact O-N 3.01Å
882	L	31.7	Very low	42.8	Very low	215 Å²	215	119.7 Å²	119.7	100%	1.126	63%	0.628	S	S	*	*			trans	-119.4	0	171.8	-74.7	169.6	0	0	0	110.8

Retrieved 882 of 882 residues in 561 ms (Link to these results)

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