A0A3Q0KTH6_SCHMA Loading...

receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A3Q0KTH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 914 aa.

						>A0A3Q0KTH6_SCHMA|A0A3Q0KTH6
MSFIGTSVAYCFLMMGLNYAFGLECKSQSMYEIRTLHCACDAPNIFWTLNSSQIIKKPGKFLHSRNVLQVFDFRSEDSGVYKCFDPSNVSKECSSVCLKADDPDLYYKAIHEDSIPDVEAEEQERPYWHQKMKAIPEFYEFAVKPLKLACYFYVKNSSVIPLVHWNMPSGHDDLIVIYSKLAEFSCSSVPETQRNLSGSCYSTEITIVSISGSDSFDCIIRTSNHSDIALTNSFTVLQKLTDILFPYSSDTEFEAPNFELIDELRLPNEISSGDVHSDLFSVTNKKSSLDLSTLILTNYTEFRFYSSDNATCVSKEVILVCHVPRTISQLEVWYLGQYDKHPRLLKDSKVSDSFTNNEKRYVLFDNSITLKLENLSYRDSGLYICKNDFFYKNVTITVMDCSKSNFISTFLPPILIWIIIFITISTIPLLLIYCIQIRRKSMQTVLSIPIDFLDKHAKSKRVDVFRKINLLYTNPEHKLLLHHSGSSASSSPTSSSSSSPLSPCTIYSRSSSNISSTDTDIKLKITNILTSFSQRLLCQPSKYFPQNHNILRCNVMLLQWLNQYLNSDSKTYIPKSSFTLENLLGEGNYGIVYKGKLSINADDESNTNNTEIAIKTLKDGFRNRQLINLLREAKVLSELEPHPHIIRFHGLCIDNNHPYILLELAIHGNLRDFLRSRRPPGINFWADERTINSSYVVVTNSNDLKEILSDDAIRQQRVELLKFALDIADALLYFETLSLFHRDVAARNVVVTEGFVAKLCDFGYACTQEESNNGYMEMDKEYLAVRWMAPECLTTTKRYTSKCDVWSYGILLWELFSLGNSPYPGLDNGQLVNWLNNGNRNTRPYLSTNSIYQLMLECWSQDPDNRPRFYDICNRIAEIKSSYGDLKENNDSMKGYVDLMLKHEDYLEPRQYLH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	65.5	Low	205 Å²	205	104.7 Å²	104.7	100%	1.01	60%	0.597	S	S	*	*				0	-48.9	0	-78.2	-62.6	-174.4	0	0	112.5	F3 I4 G5	M1-F3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 2.98Å; M1-G5 PolarHBondContact O-N 2.85Å
2	S	54	Low	65.5	Low	105 Å²	105	107.5 Å²	107.5	73%	0.734	60%	0.597	S	S	*	*	H	α-helix	trans	-59.9	-39.3	178.4	57.1	0	0	0	0	114.4	I4 G5 T6	S2-I4 VanDerWaalsContact C-N 3.34Å; S2-I4 PolarHBondContact O-N 2.98Å; S2-G5 PolarHBondContact O-N 3.45Å; S2-T6 PolarHBondContact O-N 3.2Å; S2-T6 VanDerWaalsContact O-N 3.12Å; S2-T6 PolarHBondContact O-OG1 3.14Å
3	F	58	Low	65.7	Low	164 Å²	164	107.3 Å²	107.3	72%	0.719	59%	0.594	S	S	*	*	H	α-helix	trans	-67.3	-30.7	-177.9	-152.1	-96	0	0	0	114	M1 T6 S7	M1-F3 PolarHBondContact O-N 3.39Å; F3-T6 WeakPolarHBondContact CA-OG1 3.45Å; F3-T6 PolarHBondContact O-OG1 3.37Å; F3-S7 PolarHBondContact O-N 3.35Å; F3-S7 PolarHBondContact O-OG 2.76Å
4	I	66	Low	65.4	Low	117 Å²	117	106.4 Å²	106.4	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-75.3	-38.7	176.5	-62.3	169.6	0	0	0	109.6	M1 S2 T6 S7 V8	M1-I4 PolarHBondContact O-N 2.98Å; S2-I4 VanDerWaalsContact C-N 3.34Å; S2-I4 PolarHBondContact O-N 2.98Å; I4-T6 PolarHBondContact O-N 2.87Å; I4-S7 PolarHBondContact O-N 3.19Å; I4-V8 WeakPolarHBondContact O-CG2 3.3Å; I4-V8 PolarHBondContact O-N 2.84Å
5	G	63.8	Low	64.7	Low	44 Å²	44	107.3 Å²	107.3	45%	0.454	59%	0.585	S	S	.	*	H	α-helix	trans	-62.4	-41.1	176.5	0	0	0	0	0	113.2	M1 S2 A9	M1-G5 PolarHBondContact O-N 2.85Å; S2-G5 PolarHBondContact O-N 3.45Å; G5-A9 WeakPolarHBondContact O-CB 3.46Å; G5-A9 PolarHBondContact O-N 3.35Å
6	T	73.2	Confident	63.5	Low	86 Å²	86	103.2 Å²	103.2	53%	0.528	58%	0.575	S	S	.	*	H	α-helix	trans	-67.4	-40.7	179.1	40.2	0	0	0	0	113.1	S2 F3 I4 A9 Y10	S2-T6 PolarHBondContact O-N 3.2Å; S2-T6 VanDerWaalsContact O-N 3.12Å; S2-T6 PolarHBondContact O-OG1 3.14Å; F3-T6 WeakPolarHBondContact CA-OG1 3.45Å; F3-T6 PolarHBondContact O-OG1 3.37Å; I4-T6 PolarHBondContact O-N 2.87Å; T6-A9 PolarHBondContact O-N 2.84Å; T6-Y10 WeakPolarHBondContact O-CB 3.42Å; T6-Y10 PolarHBondContact O-N 3.12Å
7	S	70.2	Confident	62.6	Low	64 Å²	64	102.5 Å²	102.5	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-68.8	-38.4	179	-66.2	0	0	0	0	112.3	F3 I4 Y10 C11	F3-S7 PolarHBondContact O-N 3.35Å; F3-S7 PolarHBondContact O-OG 2.76Å; I4-S7 PolarHBondContact O-N 3.19Å; S7-Y10 PolarHBondContact O-N 2.7Å; S7-C11 PolarHBondContact O-N 3.38Å; S7-C11 VanDerWaalsContact O-N 3.1Å; S7-C11 PolarHBondContact O-SG 3.47Å; S7-C11 VanDerWaalsContact O-SG 3.38Å
8	V	76.6	Confident	61.5	Low	74 Å²	74	104.2 Å²	104.2	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-67.9	-42.3	177	175.3	0	0	0	0	110.9	I4 Y10 C11 F12	I4-V8 WeakPolarHBondContact O-CG2 3.3Å; I4-V8 PolarHBondContact O-N 2.84Å; V8-Y10 VanDerWaalsContact C-N 3.3Å; V8-Y10 PolarHBondContact O-N 3.2Å; V8-C11 PolarHBondContact O-N 2.82Å; V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.6Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.44Å; V8-F12 PolarHBondContact O-N 2.81Å; V8-F12 VanDerWaalsContact O-N 3.07Å
9	A	72.3	Confident	60.3	Low	62 Å²	62	110.1 Å²	110.1	51%	0.512	59%	0.592	S	S	.	*	H	α-helix	trans	-61.1	-39	175.4	0	0	0	0	0	112.3	G5 T6 F12 L13	G5-A9 WeakPolarHBondContact O-CB 3.46Å; G5-A9 PolarHBondContact O-N 3.35Å; T6-A9 PolarHBondContact O-N 2.84Å; A9-F12 PolarHBondContact O-N 2.95Å; A9-L13 WeakPolarHBondContact O-CB 3.13Å; A9-L13 PolarHBondContact O-N 3.3Å
10	Y	74.3	Confident	59.2	Low	159 Å²	159	108 Å²	108	62%	0.624	59%	0.59	S	S	*	*	H	α-helix	trans	-64.7	-41.6	176.2	-154.4	-90.8	0	0	0	111.9	T6 S7 V8 F12 L13 M14	T6-Y10 WeakPolarHBondContact O-CB 3.42Å; T6-Y10 PolarHBondContact O-N 3.12Å; S7-Y10 PolarHBondContact O-N 2.7Å; V8-Y10 VanDerWaalsContact C-N 3.3Å; V8-Y10 PolarHBondContact O-N 3.2Å; Y10-F12 PolarHBondContact O-N 3.12Å; Y10-L13 PolarHBondContact O-N 2.81Å; Y10-M14 HydrophobicContact CD1-CG 3.98Å; Y10-M14 HydrophobicContact CE1-CG 3.94Å; Y10-M14 HydrophobicContact CE1-SD 4.2Å; Y10-M14 VanDerWaalsContact O-CG 3.29Å; Y10-M14 WeakPolarHBondContact O-CG 3.45Å; Y10-M14 PolarHBondContact O-N 2.82Å
11	C	70.3	Confident	58.2	Low	72 Å²	72	109.9 Å²	109.9	49%	0.486	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-41.1	175.6	-70.6	0	0	0	0	112.7	S7 V8 M14 M15	S7-C11 PolarHBondContact O-N 3.38Å; S7-C11 VanDerWaalsContact O-N 3.1Å; S7-C11 PolarHBondContact O-SG 3.47Å; S7-C11 VanDerWaalsContact O-SG 3.38Å; V8-C11 PolarHBondContact O-N 2.82Å; C11-M14 PolarHBondContact O-N 2.89Å; C11-M15 PolarHBondContact O-N 3.43Å
12	F	65.3	Low	57.9	Low	138 Å²	138	104 Å²	104	61%	0.605	59%	0.585	S	S	*	*	H	α-helix	trans	-70	-36.4	176.7	-81.5	-70	0	0	0	112.7	V8 A9 Y10 M15 G16	V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.6Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.44Å; V8-F12 PolarHBondContact O-N 2.81Å; V8-F12 VanDerWaalsContact O-N 3.07Å; A9-F12 PolarHBondContact O-N 2.95Å; Y10-F12 PolarHBondContact O-N 3.12Å; F12-M15 PolarHBondContact O-N 2.7Å; F12-G16 PolarHBondContact O-N 3.39Å
13	L	68.5	Low	57.3	Low	105 Å²	105	103.1 Å²	103.1	55%	0.55	57%	0.572	S	S	.	*	H	α-helix	trans	-62.8	-43	174.3	-164.8	95	0	0	0	111.1	A9 Y10 G16 L17	A9-L13 WeakPolarHBondContact O-CB 3.13Å; A9-L13 PolarHBondContact O-N 3.3Å; Y10-L13 PolarHBondContact O-N 2.81Å; L13-G16 PolarHBondContact O-N 2.79Å; L13-L17 HydrophobicContact CD2-CD1 4.05Å; L13-L17 HydrophobicContact CG-CD1 4.09Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.82Å
14	M	61	Low	56.8	Low	94 Å²	94	101.6 Å²	101.6	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-66.1	-38.9	177.6	-69.5	-62.8	-68.8	0	0	112.3	Y10 C11 N18	Y10-M14 HydrophobicContact CD1-CG 3.98Å; Y10-M14 HydrophobicContact CE1-CG 3.94Å; Y10-M14 HydrophobicContact CE1-SD 4.2Å; Y10-M14 VanDerWaalsContact O-CG 3.29Å; Y10-M14 WeakPolarHBondContact O-CG 3.45Å; Y10-M14 PolarHBondContact O-N 2.82Å; C11-M14 PolarHBondContact O-N 2.89Å; M14-N18 PolarHBondContact O-N 3.07Å
15	M	54.9	Low	55.9	Low	120 Å²	120	100.6 Å²	100.6	59%	0.591	57%	0.569	S	S	*	*	H	α-helix	trans	-66.3	-40.4	172.8	-75.6	-172.8	-129.8	0	0	112.2	C11 F12 Y19	C11-M15 PolarHBondContact O-N 3.43Å; F12-M15 PolarHBondContact O-N 2.7Å; M15-Y19 PolarHBondContact O-N 3.03Å
16	G	46.1	Very low	55.7	Low	42 Å²	42	103.2 Å²	103.2	43%	0.433	57%	0.568	S	S	.	*	H	α-helix	trans	-66.3	-39.8	178.9	0	0	0	0	0	113.2	F12 L13 Y19 A20	F12-G16 PolarHBondContact O-N 3.39Å; L13-G16 PolarHBondContact O-N 2.79Å; G16-Y19 PolarHBondContact O-N 2.75Å; G16-A20 WeakPolarHBondContact O-CB 3.43Å; G16-A20 PolarHBondContact O-N 3.01Å; G16-A20 VanDerWaalsContact O-N 3.09Å
17	L	47	Very low	55.2	Low	92 Å²	92	102.9 Å²	102.9	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-70.2	-37	178.6	-72.2	168.8	0	0	0	112.5	L13 Y19 A20	L13-L17 HydrophobicContact CD2-CD1 4.05Å; L13-L17 HydrophobicContact CG-CD1 4.09Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.82Å; L17-Y19 VanDerWaalsContact C-N 3.26Å; L17-Y19 PolarHBondContact O-N 3.29Å; L17-A20 PolarHBondContact O-N 2.85Å
18	N	43.1	Very low	54.6	Low	132 Å²	132	102 Å²	102	71%	0.706	56%	0.558	S	S	*	*	H	α-helix	trans	-66.7	-26.6	174	-88	-11.1	0	0	0	113.1	M14	M14-N18 PolarHBondContact O-N 3.07Å
19	Y	39.4	Very low	53.8	Low	216 Å²	216	101.2 Å²	101.2	85%	0.847	56%	0.556	S	S	*	*	H	α-helix	trans	-86.6	-29.6	178.8	-129.7	-86.4	0	0	0	113.2	M15 G16 L17	M15-Y19 PolarHBondContact O-N 3.03Å; G16-Y19 PolarHBondContact O-N 2.75Å; L17-Y19 VanDerWaalsContact C-N 3.26Å; L17-Y19 PolarHBondContact O-N 3.29Å
20	A	38.6	Very low	52.9	Low	68 Å²	68	99.7 Å²	99.7	56%	0.562	54%	0.539	S	S	*	.	H	α-helix	trans	-79.2	-26.6	-173.4	0	0	0	0	0	114.1	G16 L17	G16-A20 WeakPolarHBondContact O-CB 3.43Å; G16-A20 PolarHBondContact O-N 3.01Å; G16-A20 VanDerWaalsContact O-N 3.09Å; L17-A20 PolarHBondContact O-N 2.85Å
21	F	37.6	Very low	52.1	Low	149 Å²	149	97 Å²	97	65%	0.654	53%	0.528	S	S	*	.	S	Bend	trans	-126.1	92.5	179.5	-64.7	-79.3	0	0	0	109.1	L23	F21-L23 PolarHBondContact O-N 2.83Å
22	G	36.3	Very low	51.4	Low	82 Å²	82	98.4 Å²	98.4	85%	0.845	53%	0.527	S	S	*	.			trans	-68.2	54.8	179.3	0	0	0	0	0	114.2
23	L	40	Very low	51.5	Low	86 Å²	86	95.9 Å²	95.9	45%	0.45	52%	0.519	S	S	.	.			trans	-99.6	108.1	169.5	-70.1	166.1	0	0	0	107.5	F21 C25	F21-L23 PolarHBondContact O-N 2.83Å; L23-C25 PolarHBondContact O-N 2.86Å
24	E	49	Very low	51.8	Low	131 Å²	131	91.5 Å²	91.5	61%	0.612	50%	0.495	S	S	*	.			trans	-67.8	103	167.8	-78.7	-169.3	172.5	0	0	108.7	K26	E24-K26 WeakPolarHBondContact OE2-CE 3.23Å; E24-K26 IonicContact OE2-NZ 2.78Å; E24-K26 PolarHBondContact OE2-NZ 3.42Å
25	C	45.8	Very low	52.7	Low	97 Å²	97	89.8 Å²	89.8	66%	0.655	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.9	164.6	-81.9	0	0	0	0	108.7	L23	L23-C25 PolarHBondContact O-N 2.86Å
26	K	61	Low	54.1	Low	98 Å²	98	84.8 Å²	84.8	43%	0.426	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.5	171.4	-71.4	179.4	-178.7	158.2	0	109.6	E24 Q28 C97 K99	E24-K26 WeakPolarHBondContact OE2-CE 3.23Å; E24-K26 IonicContact OE2-NZ 2.78Å; E24-K26 PolarHBondContact OE2-NZ 3.42Å; K26-Q28 HydrophobicContact CB-CG 4.36Å; K26-C97 PolarHBondContact N-O 3.39Å; K26-K99 PolarHBondContact O-N 2.8Å
27	S	60.9	Low	55.7	Low	80 Å²	80	88.7 Å²	88.7	56%	0.559	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.1	170.7	88.4	0	0	0	0	108.7	D101	S27-D101 WeakPolarHBondContact CB-OD1 3.44Å; S27-D101 PolarHBondContact OG-OD1 2.99Å; S27-D101 PolarHBondContact OG-OD2 3.45Å
28	Q	58.3	Low	57.4	Low	46 Å²	46	84.5 Å²	84.5	22%	0.215	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	139.9	-161.1	-91.7	-162.4	-14.8	0	0	114.3	K26 R34 K99 A100 D101	K26-Q28 HydrophobicContact CB-CG 4.36Å; Q28-R34 VanDerWaalsContact OE1-NH1 3.08Å; Q28-K99 PolarHBondContact N-O 2.67Å; Q28-A100 CarbonylContact O-C 3.53Å; Q28-A100 WeakPolarHBondContact O-CA 3.26Å; Q28-D101 PolarHBondContact N-OD2 3.26Å; Q28-D101 VanDerWaalsContact N-OD2 3.11Å; Q28-D101 PolarHBondContact O-N 2.95Å
29	S	59.1	Low	58.8	Low	57 Å²	57	82.6 Å²	82.6	40%	0.399	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	142.6	-175.3	179.2	0	0	0	0	113.9	Y31 R34	S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 3.38Å; S29-R34 PolarHBondContact O-NH2 2.94Å
30	M	54.9	Low	60.5	Low	30 Å²	30	74 Å²	74	15%	0.148	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.9	-176.2	-166.5	174.2	-177.9	0	0	114.4	D72 F73 R74 P103	M30-D72 CarbonylContact O-C 3.48Å; M30-F73 VanDerWaalsContact CA-O 3.23Å; M30-F73 WeakPolarHBondContact CA-O 3.23Å; M30-F73 VanDerWaalsContact CG-O 3.31Å; M30-F73 WeakPolarHBondContact CG-O 3.48Å; M30-F73 PolarHBondContact O-N 2.92Å; M30-R74 HydrophobicContact CE-CB 3.68Å; M30-R74 VanDerWaalsContact CE-CD 3.44Å; M30-R74 HydrophobicContact CE-CG 3.32Å; M30-R74 HydrophobicContact CG-CG 4.43Å; M30-P103 HydrophobicContact CB-CG 4.49Å; M30-P103 HydrophobicContact SD-CB 4.4Å; M30-P103 WeakPolarHBondContact SD-CD 3.28Å; M30-P103 HydrophobicContact SD-CG 3.46Å; M30-P103 WeakPolarHBondContact SD-CG 3.38Å
31	Y	56.5	Low	61.9	Low	102 Å²	102	78 Å²	78	40%	0.4	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.4	-173.4	-56.2	-72.4	0	0	0	114.4	S29 P103 H111	S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 3.38Å; Y31-P103 HydrophobicContact CE2-CB 4.09Å; Y31-H111 AromaticContact CZ-CD2 3.93Å; Y31-H111 PolarHBondContact OH-CD2 3.38Å
32	E	56.8	Low	63.5	Low	101 Å²	101	71.6 Å²	71.6	47%	0.472	41%	0.411	S	S	.	.	S	Bend	trans	-90.2	131.3	-176.5	-159.2	-172.4	147.4	0	0	110.3	R34	E32-R34 VanDerWaalsContact CD-NH2 3.35Å; E32-R34 PolarHBondContact O-N 3.48Å; E32-R34 IonicContact OE1-CZ 3.32Å; E32-R34 IonicContact OE1-NH1 2.61Å; E32-R34 PolarHBondContact OE1-NH1 3.5Å; E32-R34 IonicContact OE1-NH2 2.87Å; E32-R34 IonicContact OE2-CZ 3.42Å; E32-R34 VanDerWaalsContact OE2-CZ 3.29Å; E32-R34 IonicContact OE2-NH1 2.67Å; E32-R34 PolarHBondContact OE2-NH1 3.19Å; E32-R34 IonicContact OE2-NH2 2.69Å; E32-R34 PolarHBondContact OE2-NH2 3.39Å
33	I	66.5	Low	65	Low	85 Å²	85	72.8 Å²	72.8	44%	0.436	40%	0.404	S	S	.	.			trans	-67.7	122.7	176.9	-59.1	165.2	0	0	0	108.7	Q69 F71	I33-Q69 HydrophobicContact CG2-CB 4.28Å; I33-F71 HydrophobicContact CB-CD1 4.46Å; I33-F71 HydrophobicContact CB-CE1 4.5Å; I33-F71 HydrophobicContact CD1-CD1 3.82Å; I33-F71 HydrophobicContact CD1-CE1 3.58Å; I33-F71 HydrophobicContact CG1-CD1 3.68Å; I33-F71 HydrophobicContact CG1-CE1 3.88Å; I33-F71 HydrophobicContact CG2-CD1 3.99Å; I33-F71 HydrophobicContact CG2-CE1 3.79Å; I33-F71 HydrophobicContact CG2-CE2 4.36Å; I33-F71 HydrophobicContact CG2-CG 4.38Å; I33-F71 HydrophobicContact CG2-CZ 3.97Å
34	R	74	Confident	66.4	Low	13 Å²	13	74.8 Å²	74.8	5%	0.049	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	106.3	-178.3	-64.6	-69.9	159.8	-139.9	1.1	111	Q28 S29 E32 Q69 V70 F73 L98	Q28-R34 VanDerWaalsContact OE1-NH1 3.08Å; S29-R34 PolarHBondContact O-NH2 2.94Å; E32-R34 VanDerWaalsContact CD-NH2 3.35Å; E32-R34 PolarHBondContact O-N 3.48Å; E32-R34 IonicContact OE1-CZ 3.32Å; E32-R34 IonicContact OE1-NH1 2.61Å; E32-R34 PolarHBondContact OE1-NH1 3.5Å; E32-R34 IonicContact OE1-NH2 2.87Å; E32-R34 IonicContact OE2-CZ 3.42Å; E32-R34 VanDerWaalsContact OE2-CZ 3.29Å; E32-R34 IonicContact OE2-NH1 2.67Å; E32-R34 PolarHBondContact OE2-NH1 3.19Å; E32-R34 IonicContact OE2-NH2 2.69Å; E32-R34 PolarHBondContact OE2-NH2 3.39Å; R34-Q69 CarbonylContact O-C 3.59Å; R34-Q69 WeakPolarHBondContact O-CA 3.34Å; R34-V70 HydrophobicContact CB-CB 4.13Å; R34-V70 HydrophobicContact CB-CG2 4.5Å; R34-V70 PolarHBondContact N-O 3.43Å; R34-V70 PolarHBondContact O-N 3.14Å; R34-F73 HydrophobicContact CG-CB 4.04Å; R34-F73 HydrophobicContact CG-CD2 3.93Å; R34-F73 HydrophobicContact CG-CG 3.93Å; R34-L98 HydrophobicContact CB-CD1 4.32Å; R34-L98 HydrophobicContact CG-CD1 4.36Å
35	T	80.7	Confident	67.9	Low	59 Å²	59	68.8 Å²	68.8	36%	0.362	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.9	173.9	-54.1	0	0	0	0	109.9	H37 V67 Q69	T35-H37 WeakPolarHBondContact CG2-NE2 3.48Å; T35-V67 HydrophobicContact CG2-CG1 3.23Å; T35-Q69 HydrophobicContact CG2-CG 3.9Å; T35-Q69 PolarHBondContact OG1-NE2 2.94Å
36	L	83.6	Confident	69.6	Low	15 Å²	15	68.1 Å²	68.1	8%	0.079	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.2	175.5	-70.2	169.1	0	0	0	109.7	W47 V67 L68 Y81 V96 L98	L36-W47 HydrophobicContact CB-CH2 3.68Å; L36-W47 HydrophobicContact CB-CZ2 4.32Å; L36-W47 HydrophobicContact CB-CZ3 3.96Å; L36-W47 HydrophobicContact CD1-CZ3 4.18Å; L36-V67 CarbonylContact O-C 3.6Å; L36-V67 VanDerWaalsContact O-CA 3.26Å; L36-V67 WeakPolarHBondContact O-CA 3.28Å; L36-L68 HydrophobicContact CB-CB 4.27Å; L36-L68 WeakPolarHBondContact CB-O 3.18Å; L36-L68 HydrophobicContact CD1-CD2 4.09Å; L36-L68 PolarHBondContact N-O 2.81Å; L36-L68 PolarHBondContact O-N 2.04Å; L36-Y81 HydrophobicContact CD1-CD1 3.59Å; L36-Y81 HydrophobicContact CD1-CD2 4.17Å; L36-Y81 HydrophobicContact CD1-CE1 4.27Å; L36-Y81 HydrophobicContact CD1-CG 3.53Å; L36-V96 HydrophobicContact CD2-CB 4.15Å; L36-V96 HydrophobicContact CD2-CG1 4.15Å; L36-V96 HydrophobicContact CD2-CG2 4.36Å; L36-L98 HydrophobicContact CD1-CD1 4.02Å; L36-L98 HydrophobicContact CD2-CD1 4Å; L36-L98 HydrophobicContact CD2-CG 4.48Å; L36-L98 HydrophobicContact CG-CD1 4.22Å
37	H	81.4	Confident	70.8	Confident	123 Å²	123	64.1 Å²	64.1	57%	0.569	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.9	174.9	-63.6	-87.8	0	0	0	110.1	T35 V67	T35-H37 WeakPolarHBondContact CG2-NE2 3.48Å; H37-V67 WeakPolarHBondContact ND1-CG2 3.31Å
38	C	81.5	Confident	72	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.034	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-84.1	135.7	167.4	-164.2	0	0	0	0	109.1	C40 I45 W47 N66 C83 C93	C38-C40 PolarHBondContact O-N 3.29Å; C38-I45 HydrophobicContact CB-CD1 3.4Å; C38-I45 HydrophobicContact CB-CG2 3.95Å; C38-W47 HydrophobicContact CB-CH2 4.22Å; C38-W47 HydrophobicContact CB-CZ2 3.75Å; C38-N66 PolarHBondContact N-O 3.14Å; C38-C83 HydrophobicContact CB-CB 3.83Å; C38-C83 WeakPolarHBondContact CB-SG 3.42Å; C38-C83 WeakPolarHBondContact SG-CB 3.35Å; C38-C83 CovalentContact SG-SG 2.06Å; C38-C83 PolarHBondContact SG-SG 3.39Å; C38-C93 WeakPolarHBondContact SG-CB 3.22Å
39	A	73.6	Confident	73.3	Confident	92 Å²	92	59.8 Å²	59.8	76%	0.76	33%	0.328	S	S	*	.	S	Bend	trans	-69.8	-17.3	179.6	0	0	0	0	0	113.4
40	C	73.6	Confident	74.4	Confident	36 Å²	36	61.4 Å²	61.4	24%	0.243	33%	0.333	C	S	.	.			trans	-81.4	134.5	175.9	-65.1	0	0	0	0	109.9	C38 A42 I45 C93	C38-C40 PolarHBondContact O-N 3.29Å; C40-A42 PolarHBondContact O-N 3.01Å; C40-I45 HydrophobicContact CB-CD1 4.41Å; C40-I45 WeakPolarHBondContact O-CD1 3.45Å; C40-C93 HydrophobicContact CB-CB 4.02Å; C40-C93 WeakPolarHBondContact CB-SG 3.45Å; C40-C93 WeakPolarHBondContact SG-CB 2.94Å; C40-C93 CovalentContact SG-SG 2.05Å; C40-C93 PolarHBondContact SG-SG 3.1Å
41	D	69.7	Low	75.5	Confident	150 Å²	150	64.6 Å²	64.6	80%	0.802	36%	0.358	S	S	*	.			trans	-92.3	26.8	174.8	-159.4	25.8	0	0	0	112.1
42	A	71	Confident	76.6	Confident	15 Å²	15	63 Å²	63	12%	0.124	36%	0.361	C	S	.	.			trans	-73.3	137.4	-178	0	0	0	0	0	110.6	C40 N44 I45 D85	C40-A42 PolarHBondContact O-N 3.01Å; A42-N44 PolarHBondContact O-N 3.21Å; A42-I45 VanDerWaalsContact O-CG1 3.28Å; A42-I45 WeakPolarHBondContact O-CG1 3.42Å; A42-D85 HydrophobicContact CB-CB 4.47Å
43	P	66	Low	77.5	Confident	107 Å²	107	64.5 Å²	64.5	70%	0.695	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	131.3	171.4	26.6	-31.2	0	0	0	110
44	N	70.8	Confident	77.9	Confident	129 Å²	129	61.5 Å²	61.5	69%	0.69	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	49.8	177.2	-53	-39.1	0	0	0	116.5	A42 F46 P86	A42-N44 PolarHBondContact O-N 3.21Å; N44-F46 PolarHBondContact O-N 3.31Å; N44-P86 HydrophobicContact CB-CG 4.41Å; N44-P86 WeakPolarHBondContact O-CG 3.44Å
45	I	80.7	Confident	77.3	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	39%	0.386	C	S	.	.			trans	-57.2	137.1	176.5	-58.4	-171.4	0	0	0	111.7	C38 C40 A42 H63 N66 C83	C38-I45 HydrophobicContact CB-CD1 3.4Å; C38-I45 HydrophobicContact CB-CG2 3.95Å; C40-I45 HydrophobicContact CB-CD1 4.41Å; C40-I45 WeakPolarHBondContact O-CD1 3.45Å; A42-I45 VanDerWaalsContact O-CG1 3.28Å; A42-I45 WeakPolarHBondContact O-CG1 3.42Å; I45-H63 PolarHBondContact O-CE1 3.4Å; I45-H63 PolarHBondContact O-NE2 2.99Å; I45-N66 HydrophobicContact CD1-CB 3.48Å; I45-N66 VanDerWaalsContact CD1-CB 3.48Å; I45-N66 HydrophobicContact CG1-CB 4.5Å; I45-C83 HydrophobicContact CG2-CB 3.57Å
46	F	81.5	Confident	75.9	Confident	82 Å²	82	72.7 Å²	72.7	36%	0.36	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.4	177.6	-174.9	-100.3	0	0	0	110.8	N44 T48 Q53 C83 F84	N44-F46 PolarHBondContact O-N 3.31Å; F46-T48 HydrophobicContact CD1-CG2 3.9Å; F46-T48 HydrophobicContact CE1-CG2 3.41Å; F46-T48 VanDerWaalsContact CE1-CG2 3.41Å; F46-T48 HydrophobicContact CZ-CG2 4.42Å; F46-Q53 HydrophobicContact CE1-CG 4.49Å; F46-Q53 HydrophobicContact CE2-CG 3.7Å; F46-Q53 HydrophobicContact CZ-CB 3.78Å; F46-Q53 HydrophobicContact CZ-CG 3.42Å; F46-Q53 VanDerWaalsContact CZ-CG 3.42Å; F46-C83 CarbonylContact O-C 3.6Å; F46-C83 VanDerWaalsContact O-CA 3.29Å; F46-C83 WeakPolarHBondContact O-CA 3.35Å; F46-F84 HydrophobicContact CB-CB 4.48Å; F46-F84 HydrophobicContact CD1-CD2 4.26Å; F46-F84 PolarHBondContact N-O 2.89Å; F46-F84 PolarHBondContact O-N 3.12Å
47	W	86	Confident	74.4	Confident	15 Å²	15	78 Å²	78	6%	0.057	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.5	178.8	-68.6	86	0	0	0	112	L36 C38 I54 H63 L68 K82 C83	L36-W47 HydrophobicContact CB-CH2 3.68Å; L36-W47 HydrophobicContact CB-CZ2 4.32Å; L36-W47 HydrophobicContact CB-CZ3 3.96Å; L36-W47 HydrophobicContact CD1-CZ3 4.18Å; C38-W47 HydrophobicContact CB-CH2 4.22Å; C38-W47 HydrophobicContact CB-CZ2 3.75Å; W47-I54 HydrophobicContact CB-CD1 3.77Å; W47-H63 AromaticContact CD1-CD2 3.42Å; W47-H63 VanDerWaalsContact CD1-CD2 3.42Å; W47-H63 AromaticContact CD1-NE2 3.37Å; W47-H63 AromaticContact NE1-CD2 3.52Å; W47-H63 AromaticContact NE1-NE2 3.41Å; W47-H63 PolarHBondContact NE1-NE2 2.96Å; W47-L68 HydrophobicContact CB-CD2 3.95Å; W47-L68 HydrophobicContact CD2-CB 3.81Å; W47-L68 HydrophobicContact CD2-CD2 3.79Å; W47-L68 HydrophobicContact CD2-CG 4.41Å; W47-L68 HydrophobicContact CE3-CB 4.37Å; W47-L68 HydrophobicContact CE3-CD2 3.89Å; W47-L68 HydrophobicContact CG-CB 4.07Å; W47-L68 HydrophobicContact CG-CD2 3.84Å; W47-L68 HydrophobicContact CG-CG 4.42Å; W47-L68 HydrophobicContact CZ2-CB 4.05Å; W47-K82 CarbonylContact C-O 3.48Å; W47-K82 WeakPolarHBondContact CA-O 3.15Å; W47-C83 HydrophobicContact CD2-CB 3.77Å; W47-C83 HydrophobicContact CE3-CB 3.79Å; W47-C83 HydrophobicContact CG-CB 4.48Å; W47-C83 HydrophobicContact CH2-CB 3.86Å; W47-C83 HydrophobicContact CZ2-CB 3.87Å; W47-C83 HydrophobicContact CZ3-CB 3.82Å
48	T	84.8	Confident	72.7	Confident	10 Å²	10	78.5 Å²	78.5	6%	0.061	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.1	171.6	64.2	0	0	0	0	110.6	F46 S52 Y81 K82 F84	F46-T48 HydrophobicContact CD1-CG2 3.9Å; F46-T48 HydrophobicContact CE1-CG2 3.41Å; F46-T48 VanDerWaalsContact CE1-CG2 3.41Å; F46-T48 HydrophobicContact CZ-CG2 4.42Å; T48-S52 CarbonylContact C-O 3.52Å; T48-S52 WeakPolarHBondContact CA-O 3.34Å; T48-S52 WeakPolarHBondContact CB-O 3.25Å; T48-Y81 CarbonylContact O-C 3.46Å; T48-Y81 VanDerWaalsContact O-CA 3.31Å; T48-Y81 WeakPolarHBondContact O-CA 3.35Å; T48-K82 PolarHBondContact N-O 2.85Å; T48-K82 PolarHBondContact O-N 2.96Å; T48-K82 PolarHBondContact OG1-O 3.22Å; T48-F84 HydrophobicContact CG2-CD2 4.25Å; T48-F84 HydrophobicContact CG2-CE2 3.87Å
49	L	85.9	Confident	71.4	Confident	24 Å²	24	81.5 Å²	81.5	13%	0.126	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.4	168.5	173.4	58.4	0	0	0	107.8	S51 S52 I54 Y81	L49-S51 PolarHBondContact O-N 3.01Å; L49-S52 PolarHBondContact N-O 3.05Å; L49-S52 PolarHBondContact O-N 3.38Å; L49-S52 PolarHBondContact O-OG 3.1Å; L49-I54 HydrophobicContact CB-CD1 4.39Å; L49-I54 HydrophobicContact CB-CG1 3.9Å; L49-Y81 HydrophobicContact CB-CE1 4.43Å; L49-Y81 HydrophobicContact CD1-CD1 4.46Å; L49-Y81 HydrophobicContact CD1-CD2 3.99Å; L49-Y81 HydrophobicContact CD1-CE1 4.12Å; L49-Y81 HydrophobicContact CD1-CE2 3.58Å; L49-Y81 HydrophobicContact CD1-CG 4.4Å
50	N	82.7	Confident	71.2	Confident	92 Å²	92	78.5 Å²	78.5	49%	0.492	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	36.9	-176.7	-62.7	-32.5	0	0	0	113.3	S52 G79 V80	N50-S52 PolarHBondContact O-N 3.44Å; N50-G79 VanDerWaalsContact OD1-CA 3.23Å; N50-G79 WeakPolarHBondContact OD1-CA 3.22Å; N50-V80 PolarHBondContact N-O 3.22Å; N50-V80 PolarHBondContact OD1-N 3.17Å
51	S	78.2	Confident	71.1	Confident	97 Å²	97	78.1 Å²	78.1	68%	0.678	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	9.7	-174.9	-39.8	0	0	0	0	115.5	L49	L49-S51 PolarHBondContact O-N 3.01Å
52	S	78.4	Confident	70.9	Confident	68 Å²	68	74.6 Å²	74.6	48%	0.476	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.3	170.6	69.4	0	0	0	0	110.6	T48 L49 N50 I54	T48-S52 CarbonylContact C-O 3.52Å; T48-S52 WeakPolarHBondContact CA-O 3.34Å; T48-S52 WeakPolarHBondContact CB-O 3.25Å; L49-S52 PolarHBondContact N-O 3.05Å; L49-S52 PolarHBondContact O-N 3.38Å; L49-S52 PolarHBondContact O-OG 3.1Å; N50-S52 PolarHBondContact O-N 3.44Å; S52-I54 PolarHBondContact O-N 3.02Å
53	Q	76.4	Confident	70.9	Confident	132 Å²	132	77.1 Å²	77.1	62%	0.617	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	132	176.5	-177.9	172	-1	0	0	110.1	F46 I55	F46-Q53 HydrophobicContact CE1-CG 4.49Å; F46-Q53 HydrophobicContact CE2-CG 3.7Å; F46-Q53 HydrophobicContact CZ-CB 3.78Å; F46-Q53 HydrophobicContact CZ-CG 3.42Å; F46-Q53 VanDerWaalsContact CZ-CG 3.42Å; Q53-I55 PolarHBondContact O-N 3.07Å; Q53-I55 VanDerWaalsContact O-N 3.07Å
54	I	75.9	Confident	71	Confident	22 Å²	22	75.4 Å²	75.4	11%	0.113	42%	0.415	C	S	.	.			trans	-66.1	111.9	177.6	-60.1	179.1	0	0	0	108.8	W47 L49 S52 K56 F61 L68 Y81	W47-I54 HydrophobicContact CB-CD1 3.77Å; L49-I54 HydrophobicContact CB-CD1 4.39Å; L49-I54 HydrophobicContact CB-CG1 3.9Å; S52-I54 PolarHBondContact O-N 3.02Å; I54-K56 PolarHBondContact O-N 2.9Å; I54-F61 HydrophobicContact CG2-CB 4.12Å; I54-F61 HydrophobicContact CG2-CD1 3.71Å; I54-F61 HydrophobicContact CG2-CD2 3.82Å; I54-F61 HydrophobicContact CG2-CE1 4.04Å; I54-F61 HydrophobicContact CG2-CE2 4.14Å; I54-F61 HydrophobicContact CG2-CG 3.61Å; I54-F61 HydrophobicContact CG2-CZ 4.26Å; I54-L68 HydrophobicContact CD1-CD1 4.47Å; I54-L68 HydrophobicContact CD1-CD2 3.46Å; I54-L68 VanDerWaalsContact CD1-CD2 3.46Å; I54-Y81 HydrophobicContact CD1-CD1 3.98Å; I54-Y81 HydrophobicContact CD1-CE1 3.97Å
55	I	60.6	Low	71	Confident	144 Å²	144	79.1 Å²	79.1	74%	0.738	42%	0.419	S	S	*	.			trans	-73.3	116	174.8	-56.6	173.6	0	0	0	107.2	Q53 K57	Q53-I55 PolarHBondContact O-N 3.07Å; Q53-I55 VanDerWaalsContact O-N 3.07Å; I55-K57 PolarHBondContact O-N 2.81Å
56	K	51.4	Low	70.9	Confident	164 Å²	164	81 Å²	81	71%	0.713	43%	0.43	S	S	*	.			trans	-65.8	94.5	179.4	-67	-176.2	179.6	-176.6	0	110.1	I54	I54-K56 PolarHBondContact O-N 2.9Å
57	K	51.7	Low	70.7	Confident	126 Å²	126	78.3 Å²	78.3	55%	0.548	42%	0.42	S	S	.	.			trans	-75	130.4	157.6	-72	-177.3	179.9	177.7	0	107.8	I55 G59 K60	I55-K57 PolarHBondContact O-N 2.81Å; K57-G59 PolarHBondContact O-N 2.91Å; K57-K60 HydrophobicContact CB-CB 3.82Å; K57-K60 PolarHBondContact O-N 2.72Å
58	P	46.5	Very low	70.6	Confident	133 Å²	133	77.8 Å²	77.8	86%	0.864	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	135.6	177.7	-22.7	31.3	0	0	0	111.3	K60	P58-K60 PolarHBondContact O-N 3.17Å
59	G	54.5	Low	70.4	Confident	68 Å²	68	79.8 Å²	79.8	70%	0.701	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-20.6	179.4	0	0	0	0	0	116.3	K57 F71	K57-G59 PolarHBondContact O-N 2.91Å; G59-F71 WeakPolarHBondContact O-CB 3.4Å; G59-F71 WeakPolarHBondContact O-CD2 3.48Å
60	K	68.4	Low	70.2	Confident	29 Å²	29	78.6 Å²	78.6	13%	0.126	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-44.6	-176.1	-172.5	73.3	-175.8	-170	0	113.5	K57 P58 F71 D72 D77	K57-K60 HydrophobicContact CB-CB 3.82Å; K57-K60 PolarHBondContact O-N 2.72Å; P58-K60 PolarHBondContact O-N 3.17Å; K60-F71 WeakPolarHBondContact CD-O 3.3Å; K60-F71 WeakPolarHBondContact CE-O 3.36Å; K60-F71 PolarHBondContact NZ-O 2.98Å; K60-F71 PolarHBondContact O-N 2.81Å; K60-D72 PolarHBondContact NZ-O 3.29Å; K60-D77 VanDerWaalsContact CE-CG 3.44Å; K60-D77 VanDerWaalsContact CE-OD1 3.28Å; K60-D77 WeakPolarHBondContact CE-OD1 3.43Å; K60-D77 WeakPolarHBondContact CE-OD2 3.45Å; K60-D77 IonicContact NZ-OD1 3.22Å; K60-D77 IonicContact NZ-OD2 3.49Å; K60-D77 PolarHBondContact NZ-OD2 3.47Å
61	F	72.4	Confident	69.6	Low	28 Å²	28	77.1 Å²	77.1	12%	0.123	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	109.5	-178.1	-62.8	-84.8	0	0	0	109.3	I54 L68 Q69 V70 Y81	I54-F61 HydrophobicContact CG2-CB 4.12Å; I54-F61 HydrophobicContact CG2-CD1 3.71Å; I54-F61 HydrophobicContact CG2-CD2 3.82Å; I54-F61 HydrophobicContact CG2-CE1 4.04Å; I54-F61 HydrophobicContact CG2-CE2 4.14Å; I54-F61 HydrophobicContact CG2-CG 3.61Å; I54-F61 HydrophobicContact CG2-CZ 4.26Å; F61-L68 HydrophobicContact CB-CD1 4.38Å; F61-Q69 CarbonylContact C-O 3.51Å; F61-Q69 WeakPolarHBondContact CA-O 3.32Å; F61-V70 HydrophobicContact CD1-CB 4.22Å; F61-V70 HydrophobicContact CD1-CG1 3.77Å; F61-V70 HydrophobicContact CD1-CG2 3.8Å; F61-V70 HydrophobicContact CE1-CB 4.21Å; F61-V70 HydrophobicContact CE1-CG1 3.4Å; F61-V70 VanDerWaalsContact CE1-CG1 3.4Å; F61-V70 HydrophobicContact CE1-CG2 3.86Å; F61-V70 HydrophobicContact CZ-CG1 4.1Å; F61-Y81 HydrophobicContact CE1-CE1 4.23Å
62	L	65.2	Low	69.1	Low	77 Å²	77	75.1 Å²	75.1	40%	0.403	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.7	173.1	-167.8	97.1	0	0	0	109.1	L68 Q69 F71	L62-L68 CarbonylContact O-C 3.55Å; L62-L68 WeakPolarHBondContact O-CA 3.05Å; L62-Q69 HydrophobicContact CB-CB 4.16Å; L62-Q69 VanDerWaalsContact CD2-OE1 3.24Å; L62-Q69 PolarHBondContact N-O 2.69Å; L62-Q69 PolarHBondContact O-N 3Å; L62-F71 HydrophobicContact CB-CD2 4.49Å; L62-F71 HydrophobicContact CB-CE2 3.66Å
63	H	70.8	Confident	68.7	Low	67 Å²	67	71.9 Å²	71.9	31%	0.31	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.6	178.8	179.5	-116.6	0	0	0	110.1	I45 W47 V67 L68	I45-H63 PolarHBondContact O-CE1 3.4Å; I45-H63 PolarHBondContact O-NE2 2.99Å; W47-H63 AromaticContact CD1-CD2 3.42Å; W47-H63 VanDerWaalsContact CD1-CD2 3.42Å; W47-H63 AromaticContact CD1-NE2 3.37Å; W47-H63 AromaticContact NE1-CD2 3.52Å; W47-H63 AromaticContact NE1-NE2 3.41Å; W47-H63 PolarHBondContact NE1-NE2 2.96Å; H63-V67 WeakPolarHBondContact CA-O 3.31Å; H63-V67 PolarHBondContact CD2-O 3.17Å; H63-L68 HydrophobicContact CB-CD1 4.33Å
64	S	69.3	Low	68.4	Low	71 Å²	71	70.2 Å²	70.2	50%	0.497	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114	179.2	-176.9	0	0	0	0	110.5	N66 V67	S64-N66 PolarHBondContact O-N 2.83Å; S64-V67 PolarHBondContact N-O 2.85Å; S64-V67 PolarHBondContact O-N 3.26Å
65	R	69.5	Low	68.2	Low	207 Å²	207	73.3 Å²	73.3	78%	0.781	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	-83.8	-179	-67.7	-175.2	178.8	-177.4	1	115.2
66	N	78	Confident	68.8	Low	45 Å²	45	72.3 Å²	72.3	24%	0.241	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	9	-178	63.8	-23.4	0	0	0	113.6	C38 I45 S64	C38-N66 PolarHBondContact N-O 3.14Å; I45-N66 HydrophobicContact CD1-CB 3.48Å; I45-N66 VanDerWaalsContact CD1-CB 3.48Å; I45-N66 HydrophobicContact CG1-CB 4.5Å; S64-N66 PolarHBondContact O-N 2.83Å
67	V	78.9	Confident	70.2	Confident	25 Å²	25	65.1 Å²	65.1	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.5	-174.7	-170.9	0	0	0	0	110.3	T35 L36 H37 H63 S64 Q69	T35-V67 HydrophobicContact CG2-CG1 3.23Å; L36-V67 CarbonylContact O-C 3.6Å; L36-V67 VanDerWaalsContact O-CA 3.26Å; L36-V67 WeakPolarHBondContact O-CA 3.28Å; H37-V67 WeakPolarHBondContact ND1-CG2 3.31Å; H63-V67 WeakPolarHBondContact CA-O 3.31Å; H63-V67 PolarHBondContact CD2-O 3.17Å; S64-V67 PolarHBondContact N-O 2.85Å; S64-V67 PolarHBondContact O-N 3.26Å; V67-Q69 HydrophobicContact CG1-CG 4.21Å
68	L	83.9	Confident	71.7	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.5	169.1	175.4	71.4	0	0	0	108.8	L36 W47 I54 F61 L62 H63 V70 Y81	L36-L68 HydrophobicContact CB-CB 4.27Å; L36-L68 WeakPolarHBondContact CB-O 3.18Å; L36-L68 HydrophobicContact CD1-CD2 4.09Å; L36-L68 PolarHBondContact N-O 2.81Å; L36-L68 PolarHBondContact O-N 2.04Å; W47-L68 HydrophobicContact CB-CD2 3.95Å; W47-L68 HydrophobicContact CD2-CB 3.81Å; W47-L68 HydrophobicContact CD2-CD2 3.79Å; W47-L68 HydrophobicContact CD2-CG 4.41Å; W47-L68 HydrophobicContact CE3-CB 4.37Å; W47-L68 HydrophobicContact CE3-CD2 3.89Å; W47-L68 HydrophobicContact CG-CB 4.07Å; W47-L68 HydrophobicContact CG-CD2 3.84Å; W47-L68 HydrophobicContact CG-CG 4.42Å; W47-L68 HydrophobicContact CZ2-CB 4.05Å; I54-L68 HydrophobicContact CD1-CD1 4.47Å; I54-L68 HydrophobicContact CD1-CD2 3.46Å; I54-L68 VanDerWaalsContact CD1-CD2 3.46Å; F61-L68 HydrophobicContact CB-CD1 4.38Å; L62-L68 CarbonylContact O-C 3.55Å; L62-L68 WeakPolarHBondContact O-CA 3.05Å; H63-L68 HydrophobicContact CB-CD1 4.33Å; L68-V70 HydrophobicContact CD2-CG2 4.42Å; L68-V70 HydrophobicContact CG-CG2 4.34Å; L68-Y81 HydrophobicContact CD2-CD1 3.76Å; L68-Y81 HydrophobicContact CD2-CE1 4.06Å
69	Q	80.2	Confident	73.5	Confident	52 Å²	52	54.6 Å²	54.6	24%	0.243	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.5	172	-66.3	-179.9	-33.9	0	0	110.7	I33 R34 T35 F61 L62 V67 F71	I33-Q69 HydrophobicContact CG2-CB 4.28Å; R34-Q69 CarbonylContact O-C 3.59Å; R34-Q69 WeakPolarHBondContact O-CA 3.34Å; T35-Q69 HydrophobicContact CG2-CG 3.9Å; T35-Q69 PolarHBondContact OG1-NE2 2.94Å; F61-Q69 CarbonylContact C-O 3.51Å; F61-Q69 WeakPolarHBondContact CA-O 3.32Å; L62-Q69 HydrophobicContact CB-CB 4.16Å; L62-Q69 VanDerWaalsContact CD2-OE1 3.24Å; L62-Q69 PolarHBondContact N-O 2.69Å; L62-Q69 PolarHBondContact O-N 3Å; V67-Q69 HydrophobicContact CG1-CG 4.21Å; Q69-F71 HydrophobicContact CB-CD2 4.39Å; Q69-F71 HydrophobicContact CB-CE2 3.64Å; Q69-F71 HydrophobicContact CB-CZ 4.16Å
70	V	80.5	Confident	75	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.3	174.7	-166	0	0	0	0	108.8	R34 F61 L68 F73 Y81	R34-V70 HydrophobicContact CB-CB 4.13Å; R34-V70 HydrophobicContact CB-CG2 4.5Å; R34-V70 PolarHBondContact N-O 3.43Å; R34-V70 PolarHBondContact O-N 3.14Å; F61-V70 HydrophobicContact CD1-CB 4.22Å; F61-V70 HydrophobicContact CD1-CG1 3.77Å; F61-V70 HydrophobicContact CD1-CG2 3.8Å; F61-V70 HydrophobicContact CE1-CB 4.21Å; F61-V70 HydrophobicContact CE1-CG1 3.4Å; F61-V70 VanDerWaalsContact CE1-CG1 3.4Å; F61-V70 HydrophobicContact CE1-CG2 3.86Å; F61-V70 HydrophobicContact CZ-CG1 4.1Å; L68-V70 HydrophobicContact CD2-CG2 4.42Å; L68-V70 HydrophobicContact CG-CG2 4.34Å; V70-F73 HydrophobicContact CB-CD2 4.05Å; V70-F73 HydrophobicContact CG1-CD2 3.73Å; V70-F73 HydrophobicContact CG1-CE2 4.4Å; V70-Y81 HydrophobicContact CG2-CE1 3.98Å
71	F	71.1	Confident	75.9	Confident	60 Å²	60	51.7 Å²	51.7	26%	0.263	26%	0.26	S	S	.	.	S	Bend	trans	-95.8	145.1	-178.9	-66.4	-99.6	0	0	0	110.2	I33 G59 K60 L62 Q69 F73	I33-F71 HydrophobicContact CB-CD1 4.46Å; I33-F71 HydrophobicContact CB-CE1 4.5Å; I33-F71 HydrophobicContact CD1-CD1 3.82Å; I33-F71 HydrophobicContact CD1-CE1 3.58Å; I33-F71 HydrophobicContact CG1-CD1 3.68Å; I33-F71 HydrophobicContact CG1-CE1 3.88Å; I33-F71 HydrophobicContact CG2-CD1 3.99Å; I33-F71 HydrophobicContact CG2-CE1 3.79Å; I33-F71 HydrophobicContact CG2-CE2 4.36Å; I33-F71 HydrophobicContact CG2-CG 4.38Å; I33-F71 HydrophobicContact CG2-CZ 3.97Å; G59-F71 WeakPolarHBondContact O-CB 3.4Å; G59-F71 WeakPolarHBondContact O-CD2 3.48Å; K60-F71 WeakPolarHBondContact CD-O 3.3Å; K60-F71 WeakPolarHBondContact CE-O 3.36Å; K60-F71 PolarHBondContact NZ-O 2.98Å; K60-F71 PolarHBondContact O-N 2.81Å; L62-F71 HydrophobicContact CB-CD2 4.49Å; L62-F71 HydrophobicContact CB-CE2 3.66Å; Q69-F71 HydrophobicContact CB-CD2 4.39Å; Q69-F71 HydrophobicContact CB-CE2 3.64Å; Q69-F71 HydrophobicContact CB-CZ 4.16Å; F71-F73 PolarHBondContact O-N 3.05Å
72	D	67.4	Low	76.6	Confident	55 Å²	55	52.8 Å²	52.8	29%	0.294	27%	0.265	S	S	.	.	S	Bend	trans	50.7	57.9	-179.7	-176.4	32.5	0	0	0	111.8	M30 K60 R74	M30-D72 CarbonylContact O-C 3.48Å; K60-D72 PolarHBondContact NZ-O 3.29Å; D72-R74 WeakPolarHBondContact O-CG 3.41Å; D72-R74 PolarHBondContact O-N 3.28Å; D72-R74 VanDerWaalsContact O-N 3.09Å; D72-R74 IonicContact OD1-NE 2.7Å; D72-R74 IonicContact OD2-CZ 2.63Å; D72-R74 IonicContact OD2-NE 3.4Å; D72-R74 PolarHBondContact OD2-NE 3.42Å; D72-R74 IonicContact OD2-NH2 2.86Å; D72-R74 PolarHBondContact OD2-NH2 3.07Å
73	F	70.9	Confident	77.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.			trans	-66.8	101.9	-169	-171.7	-96.9	0	0	0	112.8	M30 R34 V70 F71 D77 Y81 L98 A100	M30-F73 VanDerWaalsContact CA-O 3.23Å; M30-F73 WeakPolarHBondContact CA-O 3.23Å; M30-F73 VanDerWaalsContact CG-O 3.31Å; M30-F73 WeakPolarHBondContact CG-O 3.48Å; M30-F73 PolarHBondContact O-N 2.92Å; R34-F73 HydrophobicContact CG-CB 4.04Å; R34-F73 HydrophobicContact CG-CD2 3.93Å; R34-F73 HydrophobicContact CG-CG 3.93Å; V70-F73 HydrophobicContact CB-CD2 4.05Å; V70-F73 HydrophobicContact CG1-CD2 3.73Å; V70-F73 HydrophobicContact CG1-CE2 4.4Å; F71-F73 PolarHBondContact O-N 3.05Å; F73-D77 HydrophobicContact CD2-CB 3.99Å; F73-D77 HydrophobicContact CE2-CB 3.95Å; F73-D77 WeakPolarHBondContact CE2-O 3.09Å; F73-D77 HydrophobicContact CZ-CB 4.44Å; F73-D77 WeakPolarHBondContact CZ-O 3.35Å; F73-Y81 AromaticContact CE2-CE2 3.84Å; F73-Y81 HydrophobicContact CE2-CE2 3.84Å; F73-Y81 AromaticContact CE2-CZ 3.93Å; F73-Y81 WeakPolarHBondContact CE2-OH 3.43Å; F73-Y81 HydrophobicContact CZ-CE2 4.2Å; F73-L98 HydrophobicContact CE1-CB 4.04Å; F73-L98 HydrophobicContact CE2-CB 4.05Å; F73-L98 HydrophobicContact CE2-CD1 3.91Å; F73-L98 HydrophobicContact CZ-CB 3.37Å; F73-L98 HydrophobicContact CZ-CD1 4.07Å; F73-L98 HydrophobicContact CZ-CG 4.4Å; F73-A100 HydrophobicContact CD1-CB 3.69Å; F73-A100 HydrophobicContact CE1-CB 3.78Å
74	R	69.5	Low	78.1	Confident	98 Å²	98	47.8 Å²	47.8	37%	0.37	24%	0.239	S	C	.	.			trans	-95.2	171.9	-173.2	-53.3	-160	175.6	-178.8	-2.9	113.3	M30 D72 E76 D77 S78 A100	M30-R74 HydrophobicContact CE-CB 3.68Å; M30-R74 VanDerWaalsContact CE-CD 3.44Å; M30-R74 HydrophobicContact CE-CG 3.32Å; M30-R74 HydrophobicContact CG-CG 4.43Å; D72-R74 WeakPolarHBondContact O-CG 3.41Å; D72-R74 PolarHBondContact O-N 3.28Å; D72-R74 VanDerWaalsContact O-N 3.09Å; D72-R74 IonicContact OD1-NE 2.7Å; D72-R74 IonicContact OD2-CZ 2.63Å; D72-R74 IonicContact OD2-NE 3.4Å; D72-R74 PolarHBondContact OD2-NE 3.42Å; D72-R74 IonicContact OD2-NH2 2.86Å; D72-R74 PolarHBondContact OD2-NH2 3.07Å; R74-E76 HydrophobicContact CB-CG 3.78Å; R74-E76 PolarHBondContact O-N 3.5Å; R74-D77 WeakPolarHBondContact CB-OD2 3.45Å; R74-D77 PolarHBondContact N-OD2 2.97Å; R74-D77 PolarHBondContact O-N 3.28Å; R74-S78 PolarHBondContact O-N 3.23Å; R74-S78 PolarHBondContact O-OG 2.93Å; R74-A100 VanDerWaalsContact C-CB 3.43Å; R74-A100 WeakPolarHBondContact O-CB 3.19Å
75	S	71.4	Confident	78.7	Confident	87 Å²	87	46.2 Å²	46.2	61%	0.608	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-55.5	-34.2	172.2	56.2	0	0	0	0	112.9	D77 S78	S75-D77 VanDerWaalsContact C-N 3.33Å; S75-S78 VanDerWaalsContact O-CB 3.23Å; S75-S78 WeakPolarHBondContact O-CB 3.25Å; S75-S78 PolarHBondContact O-N 2.85Å; S75-S78 PolarHBondContact O-OG 3.45Å
76	E	72.9	Confident	78.9	Confident	123 Å²	123	39.4 Å²	39.4	58%	0.575	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-69.3	-24.9	174	54.7	175.6	-180	0	0	114.1	R74 S78	R74-E76 HydrophobicContact CB-CG 3.78Å; R74-E76 PolarHBondContact O-N 3.5Å; E76-S78 VanDerWaalsContact C-N 3.29Å
77	D	80.5	Confident	78.7	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.07	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-87.4	-2.9	177.6	-54.2	-60	0	0	0	112.4	K60 F73 R74 S75 Y81	K60-D77 VanDerWaalsContact CE-CG 3.44Å; K60-D77 VanDerWaalsContact CE-OD1 3.28Å; K60-D77 WeakPolarHBondContact CE-OD1 3.43Å; K60-D77 WeakPolarHBondContact CE-OD2 3.45Å; K60-D77 IonicContact NZ-OD1 3.22Å; K60-D77 IonicContact NZ-OD2 3.49Å; K60-D77 PolarHBondContact NZ-OD2 3.47Å; F73-D77 HydrophobicContact CD2-CB 3.99Å; F73-D77 HydrophobicContact CE2-CB 3.95Å; F73-D77 WeakPolarHBondContact CE2-O 3.09Å; F73-D77 HydrophobicContact CZ-CB 4.44Å; F73-D77 WeakPolarHBondContact CZ-O 3.35Å; R74-D77 WeakPolarHBondContact CB-OD2 3.45Å; R74-D77 PolarHBondContact N-OD2 2.97Å; R74-D77 PolarHBondContact O-N 3.28Å; S75-D77 VanDerWaalsContact C-N 3.33Å; D77-Y81 WeakPolarHBondContact O-CE2 3.27Å; D77-Y81 PolarHBondContact O-OH 3.19Å
78	S	82.9	Confident	78.3	Confident	27 Å²	27	44.8 Å²	44.8	19%	0.189	24%	0.244	C	C	.	.			trans	-69.8	133.6	177.9	-61.2	0	0	0	0	111	R74 S75 E76 L98 A100	R74-S78 PolarHBondContact O-N 3.23Å; R74-S78 PolarHBondContact O-OG 2.93Å; S75-S78 VanDerWaalsContact O-CB 3.23Å; S75-S78 WeakPolarHBondContact O-CB 3.25Å; S75-S78 PolarHBondContact O-N 2.85Å; S75-S78 PolarHBondContact O-OG 3.45Å; E76-S78 VanDerWaalsContact C-N 3.29Å; S78-L98 CarbonylContact C-O 3.57Å; S78-L98 WeakPolarHBondContact CA-O 3.03Å; S78-A100 WeakPolarHBondContact OG-CB 3Å; S78-A100 PolarHBondContact OG-N 3.36Å
79	G	85	Confident	77.5	Confident	11 Å²	11	49.6 Å²	49.6	11%	0.113	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-171.2	-178.1	0	0	0	0	0	113.5	N50 L98	N50-G79 VanDerWaalsContact OD1-CA 3.23Å; N50-G79 WeakPolarHBondContact OD1-CA 3.22Å; G79-L98 PolarHBondContact N-O 3.39Å; G79-L98 PolarHBondContact O-N 3Å
80	V	86.2	Confident	76.9	Confident	36 Å²	36	52.4 Å²	52.4	22%	0.218	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.5	179.2	-173.8	0	0	0	0	109.4	N50 K82 C97	N50-V80 PolarHBondContact N-O 3.22Å; N50-V80 PolarHBondContact OD1-N 3.17Å; V80-K82 HydrophobicContact CG1-CG 3.96Å; V80-C97 HydrophobicContact CG2-CB 4.36Å
81	Y	87.2	Confident	76.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.9	172	-70.7	-97.2	0	0	0	109.2	L36 T48 L49 I54 F61 L68 V70 F73 D77 S95 V96 L98	L36-Y81 HydrophobicContact CD1-CD1 3.59Å; L36-Y81 HydrophobicContact CD1-CD2 4.17Å; L36-Y81 HydrophobicContact CD1-CE1 4.27Å; L36-Y81 HydrophobicContact CD1-CG 3.53Å; T48-Y81 CarbonylContact O-C 3.46Å; T48-Y81 VanDerWaalsContact O-CA 3.31Å; T48-Y81 WeakPolarHBondContact O-CA 3.35Å; L49-Y81 HydrophobicContact CB-CE1 4.43Å; L49-Y81 HydrophobicContact CD1-CD1 4.46Å; L49-Y81 HydrophobicContact CD1-CD2 3.99Å; L49-Y81 HydrophobicContact CD1-CE1 4.12Å; L49-Y81 HydrophobicContact CD1-CE2 3.58Å; L49-Y81 HydrophobicContact CD1-CG 4.4Å; I54-Y81 HydrophobicContact CD1-CD1 3.98Å; I54-Y81 HydrophobicContact CD1-CE1 3.97Å; F61-Y81 HydrophobicContact CE1-CE1 4.23Å; L68-Y81 HydrophobicContact CD2-CD1 3.76Å; L68-Y81 HydrophobicContact CD2-CE1 4.06Å; V70-Y81 HydrophobicContact CG2-CE1 3.98Å; F73-Y81 AromaticContact CE2-CE2 3.84Å; F73-Y81 HydrophobicContact CE2-CE2 3.84Å; F73-Y81 AromaticContact CE2-CZ 3.93Å; F73-Y81 WeakPolarHBondContact CE2-OH 3.43Å; F73-Y81 HydrophobicContact CZ-CE2 4.2Å; D77-Y81 WeakPolarHBondContact O-CE2 3.27Å; D77-Y81 PolarHBondContact O-OH 3.19Å; Y81-S95 CarbonylContact O-C 3.58Å; Y81-S95 VanDerWaalsContact O-CA 3.31Å; Y81-S95 WeakPolarHBondContact O-CA 3.36Å; Y81-V96 PolarHBondContact N-O 2.99Å; Y81-V96 PolarHBondContact O-N 3.21Å; Y81-L98 HydrophobicContact CD2-CB 4.18Å; Y81-L98 HydrophobicContact CD2-CD1 3.97Å; Y81-L98 HydrophobicContact CD2-CG 4.12Å; Y81-L98 HydrophobicContact CE2-CB 4.1Å; Y81-L98 HydrophobicContact CE2-CD1 3.99Å; Y81-L98 HydrophobicContact CE2-CG 4.38Å
82	K	86.5	Confident	76.8	Confident	50 Å²	50	60.9 Å²	60.9	22%	0.217	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.3	176.2	-54.5	-176.4	169.7	-147	0	110.5	W47 T48 V80 F84 E92 S94	W47-K82 CarbonylContact C-O 3.48Å; W47-K82 WeakPolarHBondContact CA-O 3.15Å; T48-K82 PolarHBondContact N-O 2.85Å; T48-K82 PolarHBondContact O-N 2.96Å; T48-K82 PolarHBondContact OG1-O 3.22Å; V80-K82 HydrophobicContact CG1-CG 3.96Å; K82-F84 HydrophobicContact CB-CE2 3.71Å; K82-F84 HydrophobicContact CB-CZ 4.02Å; K82-F84 HydrophobicContact CD-CZ 4.16Å; K82-E92 WeakPolarHBondContact CD-OE2 3.32Å; K82-E92 WeakPolarHBondContact CE-OE2 3.35Å; K82-E92 IonicContact NZ-OE2 3.76Å; K82-E92 PolarHBondContact NZ-OE2 2.67Å; K82-S94 WeakPolarHBondContact CA-O 3.4Å
83	C	85.8	Confident	77.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.1	170.6	71.2	0	0	0	0	111.8	C38 I45 F46 W47 C93 S94	C38-C83 HydrophobicContact CB-CB 3.83Å; C38-C83 WeakPolarHBondContact CB-SG 3.42Å; C38-C83 WeakPolarHBondContact SG-CB 3.35Å; C38-C83 CovalentContact SG-SG 2.06Å; C38-C83 PolarHBondContact SG-SG 3.39Å; I45-C83 HydrophobicContact CG2-CB 3.57Å; F46-C83 CarbonylContact O-C 3.6Å; F46-C83 VanDerWaalsContact O-CA 3.29Å; F46-C83 WeakPolarHBondContact O-CA 3.35Å; W47-C83 HydrophobicContact CD2-CB 3.77Å; W47-C83 HydrophobicContact CE3-CB 3.79Å; W47-C83 HydrophobicContact CG-CB 4.48Å; W47-C83 HydrophobicContact CH2-CB 3.86Å; W47-C83 HydrophobicContact CZ2-CB 3.87Å; W47-C83 HydrophobicContact CZ3-CB 3.82Å; C83-C93 WeakPolarHBondContact O-CB 3.38Å; C83-C93 PolarHBondContact O-N 3.48Å; C83-C93 WeakPolarHBondContact SG-CB 3.36Å; C83-S94 PolarHBondContact N-O 3.13Å; C83-S94 PolarHBondContact SG-N 3.36Å; C83-S94 VanDerWaalsContact SG-N 3.42Å; C83-S94 PolarHBondContact SG-OG 3.31Å
84	F	83.4	Confident	77.7	Confident	39 Å²	39	61.2 Å²	61.2	17%	0.171	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.9	179.3	-60.5	-91.6	0	0	0	110.3	F46 T48 K82 E92	F46-F84 HydrophobicContact CB-CB 4.48Å; F46-F84 HydrophobicContact CD1-CD2 4.26Å; F46-F84 PolarHBondContact N-O 2.89Å; F46-F84 PolarHBondContact O-N 3.12Å; T48-F84 HydrophobicContact CG2-CD2 4.25Å; T48-F84 HydrophobicContact CG2-CE2 3.87Å; K82-F84 HydrophobicContact CB-CE2 3.71Å; K82-F84 HydrophobicContact CB-CZ 4.02Å; K82-F84 HydrophobicContact CD-CZ 4.16Å; F84-E92 HydrophobicContact CD1-CB 4.29Å; F84-E92 HydrophobicContact CE1-CB 3.83Å; F84-E92 HydrophobicContact CZ-CB 4.34Å
85	D	80.5	Confident	78.2	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	34%	0.338	C	S	.	.			trans	-77.6	125.1	167.6	-175.3	-23.8	0	0	0	109	A42 S87 N88 V89	A42-D85 HydrophobicContact CB-CB 4.47Å; D85-S87 PolarHBondContact O-N 3.13Å; D85-S87 VanDerWaalsContact O-N 3.14Å; D85-S87 WeakPolarHBondContact OD1-CB 3.47Å; D85-S87 PolarHBondContact OD1-N 2.96Å; D85-S87 PolarHBondContact OD1-OG 3.27Å; D85-S87 PolarHBondContact OD2-OG 3.24Å; D85-S87 VanDerWaalsContact OD2-OG 3.08Å; D85-N88 CarbonylContact O-C 3.55Å; D85-N88 VanDerWaalsContact O-C 3.32Å; D85-N88 PolarHBondContact O-N 3.45Å; D85-V89 PolarHBondContact O-N 3.24Å
86	P	74.4	Confident	78.8	Confident	64 Å²	64	56.3 Å²	56.3	42%	0.416	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-55.2	-30.1	176.9	-23.4	31.8	0	0	0	113.9	N44 N88	N44-P86 HydrophobicContact CB-CG 4.41Å; N44-P86 WeakPolarHBondContact O-CG 3.44Å; P86-N88 VanDerWaalsContact C-N 3.28Å; P86-N88 PolarHBondContact O-N 2.91Å
87	S	73	Confident	79.3	Confident	102 Å²	102	51.7 Å²	51.7	71%	0.713	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-74.8	-17.5	-179.4	67.8	0	0	0	0	113.1	D85	D85-S87 PolarHBondContact O-N 3.13Å; D85-S87 VanDerWaalsContact O-N 3.14Å; D85-S87 WeakPolarHBondContact OD1-CB 3.47Å; D85-S87 PolarHBondContact OD1-N 2.96Å; D85-S87 PolarHBondContact OD1-OG 3.27Å; D85-S87 PolarHBondContact OD2-OG 3.24Å; D85-S87 VanDerWaalsContact OD2-OG 3.08Å
88	N	71.8	Confident	79.4	Confident	81 Å²	81	51.4 Å²	51.4	43%	0.433	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-145.4	63.9	-178.5	-157	-2.9	0	0	0	112.2	D85 P86 S90 K91	D85-N88 CarbonylContact O-C 3.55Å; D85-N88 VanDerWaalsContact O-C 3.32Å; D85-N88 PolarHBondContact O-N 3.45Å; P86-N88 VanDerWaalsContact C-N 3.28Å; P86-N88 PolarHBondContact O-N 2.91Å; N88-S90 PolarHBondContact O-N 3.15Å; N88-S90 PolarHBondContact OD1-OG 2.75Å; N88-K91 PolarHBondContact O-N 2.87Å
89	V	66.2	Low	79.2	Confident	106 Å²	106	56.9 Å²	56.9	64%	0.642	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-24.9	-173.9	-170.1	0	0	0	0	113.7	D85 K91	D85-V89 PolarHBondContact O-N 3.24Å; V89-K91 VanDerWaalsContact C-N 3.33Å; V89-K91 PolarHBondContact O-N 2.98Å
90	S	67	Low	78.8	Confident	111 Å²	111	56.9 Å²	56.9	78%	0.776	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.6	179	54.6	0	0	0	0	115.4	N88	N88-S90 PolarHBondContact O-N 3.15Å; N88-S90 PolarHBondContact OD1-OG 2.75Å
91	K	71.4	Confident	77.8	Confident	148 Å²	148	58.4 Å²	58.4	64%	0.643	33%	0.328	S	S	*	.	S	Bend	trans	-115.2	118.2	-175.3	-164.6	178.6	-179.9	-175.1	0	110.7	N88 V89	N88-K91 PolarHBondContact O-N 2.87Å; V89-K91 VanDerWaalsContact C-N 3.33Å; V89-K91 PolarHBondContact O-N 2.98Å
92	E	78.6	Confident	76.3	Confident	90 Å²	90	63.3 Å²	63.3	42%	0.421	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.3	173	62.3	-172.2	-177.3	0	0	110.5	K82 F84	K82-E92 WeakPolarHBondContact CD-OE2 3.32Å; K82-E92 WeakPolarHBondContact CE-OE2 3.35Å; K82-E92 IonicContact NZ-OE2 3.76Å; K82-E92 PolarHBondContact NZ-OE2 2.67Å; F84-E92 HydrophobicContact CD1-CB 4.29Å; F84-E92 HydrophobicContact CE1-CB 3.83Å; F84-E92 HydrophobicContact CZ-CB 4.34Å
93	C	77.5	Confident	74.5	Confident	32 Å²	32	61.7 Å²	61.7	22%	0.216	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-45.3	-179.8	-88.3	0	0	0	0	111.4	C38 C40 C83	C38-C93 WeakPolarHBondContact SG-CB 3.22Å; C40-C93 HydrophobicContact CB-CB 4.02Å; C40-C93 WeakPolarHBondContact CB-SG 3.45Å; C40-C93 WeakPolarHBondContact SG-CB 2.94Å; C40-C93 CovalentContact SG-SG 2.05Å; C40-C93 PolarHBondContact SG-SG 3.1Å; C83-C93 WeakPolarHBondContact O-CB 3.38Å; C83-C93 PolarHBondContact O-N 3.48Å; C83-C93 WeakPolarHBondContact SG-CB 3.36Å
94	S	79.9	Confident	72.6	Confident	29 Å²	29	66.2 Å²	66.2	20%	0.203	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154.2	170.4	66.4	0	0	0	0	110.3	K82 C83	K82-S94 WeakPolarHBondContact CA-O 3.4Å; C83-S94 PolarHBondContact N-O 3.13Å; C83-S94 PolarHBondContact SG-N 3.36Å; C83-S94 VanDerWaalsContact SG-N 3.42Å; C83-S94 PolarHBondContact SG-OG 3.31Å
95	S	81.1	Confident	70.6	Confident	40 Å²	40	65.6 Å²	65.6	28%	0.28	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.4	174.4	65.8	0	0	0	0	110.2	Y81	Y81-S95 CarbonylContact O-C 3.58Å; Y81-S95 VanDerWaalsContact O-CA 3.31Å; Y81-S95 WeakPolarHBondContact O-CA 3.36Å
96	V	83	Confident	68.5	Low	43 Å²	43	67 Å²	67	26%	0.261	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131	176.6	179.7	0	0	0	0	108.8	L36 Y81 L98	L36-V96 HydrophobicContact CD2-CB 4.15Å; L36-V96 HydrophobicContact CD2-CG1 4.15Å; L36-V96 HydrophobicContact CD2-CG2 4.36Å; Y81-V96 PolarHBondContact N-O 2.99Å; Y81-V96 PolarHBondContact O-N 3.21Å; V96-L98 HydrophobicContact CG1-CD2 3.79Å; V96-L98 HydrophobicContact CG1-CG 4.08Å
97	C	82.4	Confident	66.9	Low	25 Å²	25	69.5 Å²	69.5	17%	0.169	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	111.6	173.4	-173.5	0	0	0	0	109	K26 V80	K26-C97 PolarHBondContact N-O 3.39Å; V80-C97 HydrophobicContact CG2-CB 4.36Å
98	L	83.5	Confident	65.3	Low	7 Å²	7	67.8 Å²	67.8	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133	176.5	-64.8	-177.8	0	0	0	109.6	R34 L36 F73 S78 G79 Y81 V96	R34-L98 HydrophobicContact CB-CD1 4.32Å; R34-L98 HydrophobicContact CG-CD1 4.36Å; L36-L98 HydrophobicContact CD1-CD1 4.02Å; L36-L98 HydrophobicContact CD2-CD1 4Å; L36-L98 HydrophobicContact CD2-CG 4.48Å; L36-L98 HydrophobicContact CG-CD1 4.22Å; F73-L98 HydrophobicContact CE1-CB 4.04Å; F73-L98 HydrophobicContact CE2-CB 4.05Å; F73-L98 HydrophobicContact CE2-CD1 3.91Å; F73-L98 HydrophobicContact CZ-CB 3.37Å; F73-L98 HydrophobicContact CZ-CD1 4.07Å; F73-L98 HydrophobicContact CZ-CG 4.4Å; S78-L98 CarbonylContact C-O 3.57Å; S78-L98 WeakPolarHBondContact CA-O 3.03Å; G79-L98 PolarHBondContact N-O 3.39Å; G79-L98 PolarHBondContact O-N 3Å; Y81-L98 HydrophobicContact CD2-CB 4.18Å; Y81-L98 HydrophobicContact CD2-CD1 3.97Å; Y81-L98 HydrophobicContact CD2-CG 4.12Å; Y81-L98 HydrophobicContact CE2-CB 4.1Å; Y81-L98 HydrophobicContact CE2-CD1 3.99Å; Y81-L98 HydrophobicContact CE2-CG 4.38Å; V96-L98 HydrophobicContact CG1-CD2 3.79Å; V96-L98 HydrophobicContact CG1-CG 4.08Å
99	K	78.9	Confident	63.8	Low	142 Å²	142	64.7 Å²	64.7	62%	0.617	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	125	174.9	-164.7	180	-179	-175.3	0	109.4	K26 Q28	K26-K99 PolarHBondContact O-N 2.8Å; Q28-K99 PolarHBondContact N-O 2.67Å
100	A	75.4	Confident	62.5	Low	12 Å²	12	63.3 Å²	63.3	10%	0.099	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.2	177.5	0	0	0	0	0	108.3	Q28 F73 R74 S78	Q28-A100 CarbonylContact O-C 3.53Å; Q28-A100 WeakPolarHBondContact O-CA 3.26Å; F73-A100 HydrophobicContact CD1-CB 3.69Å; F73-A100 HydrophobicContact CE1-CB 3.78Å; R74-A100 VanDerWaalsContact C-CB 3.43Å; R74-A100 WeakPolarHBondContact O-CB 3.19Å; S78-A100 WeakPolarHBondContact OG-CB 3Å; S78-A100 PolarHBondContact OG-N 3.36Å
101	D	66.4	Low	61.2	Low	68 Å²	68	61.5 Å²	61.5	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.1	164.6	-73.1	-28.3	0	0	0	107.3	S27 Q28 P103	S27-D101 WeakPolarHBondContact CB-OD1 3.44Å; S27-D101 PolarHBondContact OG-OD1 2.99Å; S27-D101 PolarHBondContact OG-OD2 3.45Å; Q28-D101 PolarHBondContact N-OD2 3.26Å; Q28-D101 VanDerWaalsContact N-OD2 3.11Å; Q28-D101 PolarHBondContact O-N 2.95Å; D101-P103 WeakPolarHBondContact O-CD 3.29Å; D101-P103 VanDerWaalsContact O-N 3.11Å
102	D	55.4	Low	59.5	Low	102 Å²	102	59.5 Å²	59.5	55%	0.545	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-55.3	118.2	170.4	-144.7	-11.2	0	0	0	106.3	D104 K108	D102-D104 PolarHBondContact O-N 3.15Å; D102-K108 IonicContact OD1-NZ 2.72Å; D102-K108 PolarHBondContact OD1-NZ 3.09Å
103	P	48.2	Very low	57.4	Low	16 Å²	16	61.8 Å²	61.8	10%	0.104	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-59.3	140.5	-177.3	25.7	-35.5	0	0	0	108.5	M30 Y31 D101 L105 K108	M30-P103 HydrophobicContact CB-CG 4.49Å; M30-P103 HydrophobicContact SD-CB 4.4Å; M30-P103 WeakPolarHBondContact SD-CD 3.28Å; M30-P103 HydrophobicContact SD-CG 3.46Å; M30-P103 WeakPolarHBondContact SD-CG 3.38Å; Y31-P103 HydrophobicContact CE2-CB 4.09Å; D101-P103 WeakPolarHBondContact O-CD 3.29Å; D101-P103 VanDerWaalsContact O-N 3.11Å; P103-L105 PolarHBondContact O-N 3.34Å; P103-K108 HydrophobicContact CG-CD 4.49Å; P103-K108 HydrophobicContact CG-CG 4.22Å
104	D	47.2	Very low	55.3	Low	95 Å²	95	63.9 Å²	63.9	51%	0.508	33%	0.332	S	S	.	.			trans	-44.4	132.6	173	-125.4	-26	0	0	0	108.9	D102 Y106 Y107 K108	D102-D104 PolarHBondContact O-N 3.15Å; D104-Y106 PolarHBondContact O-N 3.36Å; D104-Y107 HydrophobicContact CB-CD2 4.37Å; D104-Y107 PolarHBondContact O-N 3.46Å; D104-K108 PolarHBondContact O-N 3.22Å
105	L	40.6	Very low	52.9	Low	27 Å²	27	66.5 Å²	66.5	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-59.1	-7.9	-173.2	-96.7	-170.2	0	0	0	114.2	P103 K108 A109 D454 H456 A457	P103-L105 PolarHBondContact O-N 3.34Å; L105-K108 HydrophobicContact CD2-CB 3.72Å; L105-K108 HydrophobicContact CD2-CD 3.63Å; L105-K108 HydrophobicContact CD2-CG 4.32Å; L105-A109 VanDerWaalsContact O-CB 3.29Å; L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.2Å; L105-D454 WeakPolarHBondContact CD1-OD2 3.33Å; L105-H456 WeakPolarHBondContact CB-O 3.22Å; L105-H456 HydrophobicContact CD1-CB 3.64Å; L105-H456 WeakPolarHBondContact CD1-O 3.44Å; L105-H456 HydrophobicContact CG-CB 4.29Å; L105-A457 VanDerWaalsContact CD1-CA 3.5Å; L105-A457 HydrophobicContact CD1-CB 3.79Å
106	Y	37.2	Very low	50.5	Low	66 Å²	66	69.3 Å²	69.3	26%	0.259	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-50.8	165.4	-154.1	-133.4	0	0	0	112.4	D104 A109 I110 S459 D463	D104-Y106 PolarHBondContact O-N 3.36Å; Y106-A109 PolarHBondContact O-N 2.9Å; Y106-I110 HydrophobicContact CD1-CD1 3.62Å; Y106-I110 HydrophobicContact CD2-CD1 4.41Å; Y106-I110 HydrophobicContact CE1-CD1 3.4Å; Y106-I110 HydrophobicContact CE2-CD1 4.21Å; Y106-I110 HydrophobicContact CG-CD1 4.13Å; Y106-I110 VanDerWaalsContact O-CG1 3.32Å; Y106-I110 WeakPolarHBondContact O-CG1 3.04Å; Y106-I110 PolarHBondContact O-N 2.78Å; Y106-S459 VanDerWaalsContact CA-CB 3.48Å; Y106-S459 WeakPolarHBondContact CB-OG 3.38Å; Y106-S459 WeakPolarHBondContact CD2-OG 3.48Å; Y106-S459 VanDerWaalsContact N-CB 3.3Å; Y106-D463 HydrophobicContact CD2-CB 4.46Å; Y106-D463 HydrophobicContact CE2-CB 3.84Å
107	Y	40.5	Very low	48.1	Very low	118 Å²	118	73.9 Å²	73.9	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-80.3	-35.2	-169.6	-80.3	-83.2	0	0	0	108.8	D104 A109 I110 H111	D104-Y107 HydrophobicContact CB-CD2 4.37Å; D104-Y107 PolarHBondContact O-N 3.46Å; Y107-A109 VanDerWaalsContact C-N 3.34Å; Y107-I110 PolarHBondContact O-N 3.07Å; Y107-H111 WeakPolarHBondContact O-CB 3.09Å; Y107-H111 PolarHBondContact O-CD2 3.39Å; Y107-H111 PolarHBondContact O-N 3.23Å
108	K	39.6	Very low	45.9	Very low	65 Å²	65	78.7 Å²	78.7	28%	0.283	41%	0.411	S	S	.	.	H	α-helix	trans	-55.3	-47.9	163	-110.2	173.3	179.5	163.7	0	111	D102 P103 D104 L105 I110 H111 E112	D102-K108 IonicContact OD1-NZ 2.72Å; D102-K108 PolarHBondContact OD1-NZ 3.09Å; P103-K108 HydrophobicContact CG-CD 4.49Å; P103-K108 HydrophobicContact CG-CG 4.22Å; D104-K108 PolarHBondContact O-N 3.22Å; L105-K108 HydrophobicContact CD2-CB 3.72Å; L105-K108 HydrophobicContact CD2-CD 3.63Å; L105-K108 HydrophobicContact CD2-CG 4.32Å; K108-I110 PolarHBondContact O-N 2.77Å; K108-H111 PolarHBondContact O-N 3.22Å; K108-E112 WeakPolarHBondContact O-CA 3.44Å; K108-E112 WeakPolarHBondContact O-CB 3.35Å; K108-E112 WeakPolarHBondContact O-CG 3.11Å; K108-E112 PolarHBondContact O-N 2.8Å
109	A	40.5	Very low	43.5	Very low	17 Å²	17	88 Å²	88	14%	0.14	46%	0.455	C	S	.	.	H	α-helix	trans	-68.3	-36	179.3	0	0	0	0	0	114.6	L105 Y106 Y107 H111 D113	L105-A109 VanDerWaalsContact O-CB 3.29Å; L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.2Å; Y106-A109 PolarHBondContact O-N 2.9Å; Y107-A109 VanDerWaalsContact C-N 3.34Å; A109-H111 VanDerWaalsContact C-N 3.35Å; A109-D113 PolarHBondContact O-N 3.22Å
110	I	38.9	Very low	41.5	Very low	77 Å²	77	85 Å²	85	40%	0.395	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-37.9	176.4	-70.7	167.7	0	0	0	110.6	Y106 Y107 K108 S114	Y106-I110 HydrophobicContact CD1-CD1 3.62Å; Y106-I110 HydrophobicContact CD2-CD1 4.41Å; Y106-I110 HydrophobicContact CE1-CD1 3.4Å; Y106-I110 HydrophobicContact CE2-CD1 4.21Å; Y106-I110 HydrophobicContact CG-CD1 4.13Å; Y106-I110 VanDerWaalsContact O-CG1 3.32Å; Y106-I110 WeakPolarHBondContact O-CG1 3.04Å; Y106-I110 PolarHBondContact O-N 2.78Å; Y107-I110 PolarHBondContact O-N 3.07Å; K108-I110 PolarHBondContact O-N 2.77Å; I110-S114 PolarHBondContact O-OG 2.85Å
111	H	38	Very low	39.3	Very low	73 Å²	73	89.9 Å²	89.9	34%	0.338	48%	0.477	S	S	.	.	H	α-helix	trans	-90.4	-31.6	-177.3	-68	-63.9	0	0	0	113.7	Y31 Y107 K108 A109 D113 S114 I115	Y31-H111 AromaticContact CZ-CD2 3.93Å; Y31-H111 PolarHBondContact OH-CD2 3.38Å; Y107-H111 WeakPolarHBondContact O-CB 3.09Å; Y107-H111 PolarHBondContact O-CD2 3.39Å; Y107-H111 PolarHBondContact O-N 3.23Å; K108-H111 PolarHBondContact O-N 3.22Å; A109-H111 VanDerWaalsContact C-N 3.35Å; H111-D113 PolarHBondContact O-N 2.78Å; H111-S114 WeakPolarHBondContact CA-OG 3.33Å; H111-S114 CarbonylContact O-C 3.56Å; H111-S114 PolarHBondContact O-N 3.29Å; H111-S114 PolarHBondContact O-OG 3.2Å; H111-I115 HydrophobicContact CB-CD1 4.29Å; H111-I115 VanDerWaalsContact O-CB 3.31Å; H111-I115 WeakPolarHBondContact O-CB 3.35Å; H111-I115 WeakPolarHBondContact O-CD1 3.4Å; H111-I115 WeakPolarHBondContact O-CG1 3.15Å; H111-I115 PolarHBondContact O-N 2.76Å
112	E	35.8	Very low	37.7	Very low	106 Å²	106	95.7 Å²	95.7	50%	0.495	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-38	174.2	-78.9	170.4	171.3	0	0	111.5	K108 I115	K108-E112 WeakPolarHBondContact O-CA 3.44Å; K108-E112 WeakPolarHBondContact O-CB 3.35Å; K108-E112 WeakPolarHBondContact O-CG 3.11Å; K108-E112 PolarHBondContact O-N 2.8Å; E112-I115 VanDerWaalsContact O-O 3.06Å
113	D	34.9	Very low	36.8	Very low	137 Å²	137	99.6 Å²	99.6	73%	0.733	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-10.7	177.2	-73.6	-17.5	0	0	0	113.3	A109 H111	A109-D113 PolarHBondContact O-N 3.22Å; H111-D113 PolarHBondContact O-N 2.78Å
114	S	33.7	Very low	35.9	Very low	77 Å²	77	106 Å²	106	54%	0.538	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-2.9	173.2	54.6	0	0	0	0	113.7	I110 H111 P116	I110-S114 PolarHBondContact O-OG 2.85Å; H111-S114 WeakPolarHBondContact CA-OG 3.33Å; H111-S114 CarbonylContact O-C 3.56Å; H111-S114 PolarHBondContact O-N 3.29Å; H111-S114 PolarHBondContact O-OG 3.2Å; S114-P116 WeakPolarHBondContact O-CD 3.46Å
115	I	30	Very low	35.2	Very low	84 Å²	84	108.1 Å²	108.1	43%	0.431	55%	0.546	S	S	.	.	S	Bend	trans	-96	105.8	165.2	-65.7	159.9	0	0	0	105.4	H111 E112 D117 V118	H111-I115 HydrophobicContact CB-CD1 4.29Å; H111-I115 VanDerWaalsContact O-CB 3.31Å; H111-I115 WeakPolarHBondContact O-CB 3.35Å; H111-I115 WeakPolarHBondContact O-CD1 3.4Å; H111-I115 WeakPolarHBondContact O-CG1 3.15Å; H111-I115 PolarHBondContact O-N 2.76Å; E112-I115 VanDerWaalsContact O-O 3.06Å; I115-D117 PolarHBondContact O-N 3.39Å; I115-V118 HydrophobicContact CG2-CG2 3.77Å
116	P	31	Very low	35.1	Very low	99 Å²	99	111.1 Å²	111.1	64%	0.643	57%	0.568	S	S	*	*			trans	-55.7	138.5	176.3	22.7	-30.9	0	0	0	109.8	S114 V118	S114-P116 WeakPolarHBondContact O-CD 3.46Å; P116-V118 PolarHBondContact O-N 3.23Å
117	D	32.2	Very low	34.8	Very low	138 Å²	138	117.1 Å²	117.1	74%	0.738	59%	0.591	S	S	*	*			trans	-36.5	110.1	-174.3	-73.7	-47.8	0	0	0	112.5	I115 E119 A120	I115-D117 PolarHBondContact O-N 3.39Å; D117-E119 PolarHBondContact O-N 3.08Å; D117-A120 PolarHBondContact O-N 3.29Å
118	V	35.1	Very low	34.5	Very low	127 Å²	127	113.8 Å²	113.8	77%	0.77	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-7.1	-174.8	176.1	0	0	0	0	113.1	I115 P116	I115-V118 HydrophobicContact CG2-CG2 3.77Å; P116-V118 PolarHBondContact O-N 3.23Å
119	E	33.9	Very low	34.5	Very low	203 Å²	203	114.3 Å²	114.3	95%	0.949	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-5.7	173.9	-68	-168.7	166	0	0	114.2	D117	D117-E119 PolarHBondContact O-N 3.08Å
120	A	37.9	Very low	34.5	Very low	79 Å²	79	121.2 Å²	121.2	65%	0.653	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-14.8	-175.2	0	0	0	0	0	116.3	D117	D117-A120 PolarHBondContact O-N 3.29Å
121	E	29.3	Very low	34.7	Very low	113 Å²	113	123.2 Å²	123.2	53%	0.528	62%	0.616	S	S	.	*			trans	-136.5	72.1	-173.9	-70.4	-178.6	179.3	0	0	113.5	Q123	E121-Q123 PolarHBondContact O-N 3.33Å; E121-Q123 VanDerWaalsContact O-N 3.16Å
122	E	31.6	Very low	34.9	Very low	191 Å²	191	120.9 Å²	120.9	89%	0.893	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	111.7	136.5	-82.3	-171.4	154.2	0	0	107.2
123	Q	37.1	Very low	35.7	Very low	184 Å²	184	122 Å²	122	86%	0.86	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.2	48.2	168.1	-52.2	179.4	6.2	0	0	119.1	E121	E121-Q123 PolarHBondContact O-N 3.33Å; E121-Q123 VanDerWaalsContact O-N 3.16Å
124	E	29.3	Very low	36.4	Very low	150 Å²	150	117.9 Å²	117.9	70%	0.701	59%	0.594	S	S	*	*			trans	-126.4	86.8	147.8	-71.6	-157.2	170.5	0	0	110.9
125	R	32.9	Very low	37.4	Very low	139 Å²	139	117 Å²	117	53%	0.525	58%	0.583	S	S	.	*			trans	-60.6	142.1	162.7	-77.2	-174	178.2	-173.5	0.1	108.2	Y127 I135	R125-Y127 PolarHBondContact O-N 2.68Å; R125-I135 PolarHBondContact NH1-O 2.84Å
126	P	37.1	Very low	38.2	Very low	91 Å²	91	117.6 Å²	117.6	59%	0.591	59%	0.592	S	S	*	*			trans	-49.7	135.4	-177.4	17.1	-29.6	0	0	0	110.7	W128	P126-W128 PolarHBondContact O-N 2.93Å
127	Y	32.2	Very low	39	Very low	192 Å²	192	120.4 Å²	120.4	75%	0.753	60%	0.597	S	S	*	*			trans	-70	91.8	-172.9	-152.5	-86.9	0	0	0	110.3	R125 Q130	R125-Y127 PolarHBondContact O-N 2.68Å; Y127-Q130 HydrophobicContact CE1-CG 4.41Å
128	W	34.3	Very low	39.7	Very low	48 Å²	48	118.4 Å²	118.4	18%	0.182	58%	0.581	C	S	.	*			trans	-73.5	151.4	172.6	-73.3	77.5	0	0	0	110.6	P126 Q130 M132 Y139	P126-W128 PolarHBondContact O-N 2.93Å; W128-Q130 PolarHBondContact O-N 2.81Å; W128-M132 HydrophobicContact CB-CB 4.48Å; W128-M132 HydrophobicContact CB-SD 4.26Å; W128-M132 HydrophobicContact CE3-SD 4.06Å; W128-Y139 HydrophobicContact CB-CD1 3.99Å; W128-Y139 HydrophobicContact CB-CE1 4.18Å; W128-Y139 AromaticContact CD1-CD1 3.66Å; W128-Y139 AromaticContact CD1-CE1 3.11Å; W128-Y139 AromaticContact CD1-CE2 3.62Å; W128-Y139 AromaticContact CD1-CZ 3.09Å; W128-Y139 HydrophobicContact CD2-CD1 4.32Å; W128-Y139 HydrophobicContact CD2-CD2 4.02Å; W128-Y139 HydrophobicContact CD2-CE1 4.41Å; W128-Y139 HydrophobicContact CD2-CE2 4.11Å; W128-Y139 HydrophobicContact CD2-CG 4.14Å; W128-Y139 AromaticContact CE2-CD2 3.82Å; W128-Y139 AromaticContact CE2-CE2 3.53Å; W128-Y139 AromaticContact CE2-CZ 3.86Å; W128-Y139 AromaticContact CG-CD1 3.72Å; W128-Y139 HydrophobicContact CG-CD1 3.72Å; W128-Y139 HydrophobicContact CG-CD2 4.24Å; W128-Y139 AromaticContact CG-CE1 3.67Å; W128-Y139 HydrophobicContact CG-CE1 3.67Å; W128-Y139 HydrophobicContact CG-CE2 4.19Å; W128-Y139 HydrophobicContact CG-CG 4.02Å; W128-Y139 AromaticContact CG-CZ 3.92Å; W128-Y139 HydrophobicContact CZ2-CD2 4.23Å; W128-Y139 HydrophobicContact CZ2-CE2 4.01Å; W128-Y139 AromaticContact NE1-CD2 3.92Å; W128-Y139 AromaticContact NE1-CE1 3.67Å; W128-Y139 AromaticContact NE1-CE2 3.24Å; W128-Y139 AromaticContact NE1-CZ 3.09Å; W128-Y139 PolarHBondContact NE1-OH 2.9Å
129	H	39.6	Very low	40.5	Very low	76 Å²	76	113.3 Å²	113.3	35%	0.352	55%	0.549	S	S	.	.			trans	-34.1	134	-176.7	-178	-80	0	0	0	113.2	K131 M132	H129-K131 PolarHBondContact ND1-N 2.9Å; H129-K131 CarbonylContact O-C 3.6Å; H129-K131 PolarHBondContact O-N 2.72Å; H129-M132 PolarHBondContact O-N 2.79Å
130	Q	40.6	Very low	41.5	Very low	162 Å²	162	107.4 Å²	107.4	76%	0.757	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-11.9	-172.4	-66.5	178.3	-15.2	0	0	117.1	Y127 W128	Y127-Q130 HydrophobicContact CE1-CG 4.41Å; W128-Q130 PolarHBondContact O-N 2.81Å
131	K	41.5	Very low	42.2	Very low	118 Å²	118	105.2 Å²	105.2	51%	0.513	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	9.6	175.9	-63.1	-175.9	-178.8	174.4	0	113.5	H129 F141 A142 V143	H129-K131 PolarHBondContact ND1-N 2.9Å; H129-K131 CarbonylContact O-C 3.6Å; H129-K131 PolarHBondContact O-N 2.72Å; K131-F141 CarbonylContact O-C 3.32Å; K131-F141 WeakPolarHBondContact O-CA 3.05Å; K131-A142 WeakPolarHBondContact O-CB 3.34Å; K131-A142 PolarHBondContact O-N 3.3Å; K131-V143 HydrophobicContact CB-CG2 4.43Å; K131-V143 HydrophobicContact CG-CG2 4.42Å
132	M	43.5	Very low	43.2	Very low	25 Å²	25	102.9 Å²	102.9	12%	0.123	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.6	178.5	-70.6	-179.6	168	0	0	111.1	W128 H129 E140 F141 I210	W128-M132 HydrophobicContact CB-CB 4.48Å; W128-M132 HydrophobicContact CB-SD 4.26Å; W128-M132 HydrophobicContact CE3-SD 4.06Å; H129-M132 PolarHBondContact O-N 2.79Å; M132-E140 CarbonylContact C-O 3.57Å; M132-E140 VanDerWaalsContact CA-O 3.25Å; M132-E140 WeakPolarHBondContact CA-O 3.39Å; M132-F141 HydrophobicContact CE-CD1 3.98Å; M132-F141 HydrophobicContact CE-CD2 4.17Å; M132-F141 HydrophobicContact CE-CE1 3.33Å; M132-F141 HydrophobicContact CE-CE2 3.55Å; M132-F141 HydrophobicContact CE-CG 4.37Å; M132-F141 HydrophobicContact CE-CZ 3.08Å; M132-F141 HydrophobicContact CG-CD1 3.9Å; M132-F141 HydrophobicContact CG-CE1 4.1Å; M132-F141 HydrophobicContact CG-CG 4.33Å; M132-I210 HydrophobicContact CE-CD1 3.65Å; M132-I210 HydrophobicContact CE-CG1 4.27Å
133	K	52	Low	44.3	Very low	130 Å²	130	98.9 Å²	98.9	57%	0.565	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.5	172.9	-176.5	-178.7	178.2	-173.8	0	108.2	E140 A142	K133-E140 PolarHBondContact N-O 2.9Å; K133-E140 PolarHBondContact O-N 2.65Å; K133-A142 HydrophobicContact CB-CB 4.25Å
134	A	49.3	Very low	45.1	Very low	50 Å²	50	98.4 Å²	98.4	41%	0.413	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127	172.5	0	0	0	0	0	110.4	Y139	A134-Y139 HydrophobicContact CB-CD1 3.91Å; A134-Y139 HydrophobicContact CB-CE1 3.69Å
135	I	54.5	Low	46.4	Very low	58 Å²	58	93.8 Å²	93.8	30%	0.297	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.8	170.9	-61.7	-177	0	0	0	106.8	R125 E137 F138 E140	R125-I135 PolarHBondContact NH1-O 2.84Å; I135-E137 PolarHBondContact O-N 3.5Å; I135-E137 VanDerWaalsContact O-N 3.13Å; I135-F138 CarbonylContact C-O 3.45Å; I135-F138 WeakPolarHBondContact CA-O 3.4Å; I135-F138 PolarHBondContact N-O 3.16Å; I135-F138 PolarHBondContact O-N 3.32Å; I135-E140 HydrophobicContact CD1-CB 3.78Å; I135-E140 WeakPolarHBondContact CD1-OE2 3.32Å; I135-E140 HydrophobicContact CG1-CB 4.46Å
136	P	46.9	Very low	47.6	Very low	96 Å²	96	90.8 Å²	90.8	62%	0.623	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	124.4	169.7	-26	35.5	0	0	0	110.1	F138	P136-F138 VanDerWaalsContact C-N 3.31Å; P136-F138 PolarHBondContact O-N 3.11Å
137	E	48.1	Very low	48.7	Very low	159 Å²	159	92 Å²	92	74%	0.743	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-14.8	-178.3	-53.1	176.2	174.5	0	0	118	I135	I135-E137 PolarHBondContact O-N 3.5Å; I135-E137 VanDerWaalsContact O-N 3.13Å
138	F	46.3	Very low	50	Low	95 Å²	95	84.8 Å²	84.8	42%	0.417	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.2	-175.6	-55.9	-86.2	0	0	0	113.5	I135 P136	I135-F138 CarbonylContact C-O 3.45Å; I135-F138 WeakPolarHBondContact CA-O 3.4Å; I135-F138 PolarHBondContact N-O 3.16Å; I135-F138 PolarHBondContact O-N 3.32Å; P136-F138 VanDerWaalsContact C-N 3.31Å; P136-F138 PolarHBondContact O-N 3.11Å
139	Y	53.7	Low	51.3	Low	21 Å²	21	85.1 Å²	85.1	8%	0.082	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.1	164.7	-64.3	-84.1	0	0	0	109.4	W128 A134 S209 I210	W128-Y139 HydrophobicContact CB-CD1 3.99Å; W128-Y139 HydrophobicContact CB-CE1 4.18Å; W128-Y139 AromaticContact CD1-CD1 3.66Å; W128-Y139 AromaticContact CD1-CE1 3.11Å; W128-Y139 AromaticContact CD1-CE2 3.62Å; W128-Y139 AromaticContact CD1-CZ 3.09Å; W128-Y139 HydrophobicContact CD2-CD1 4.32Å; W128-Y139 HydrophobicContact CD2-CD2 4.02Å; W128-Y139 HydrophobicContact CD2-CE1 4.41Å; W128-Y139 HydrophobicContact CD2-CE2 4.11Å; W128-Y139 HydrophobicContact CD2-CG 4.14Å; W128-Y139 AromaticContact CE2-CD2 3.82Å; W128-Y139 AromaticContact CE2-CE2 3.53Å; W128-Y139 AromaticContact CE2-CZ 3.86Å; W128-Y139 AromaticContact CG-CD1 3.72Å; W128-Y139 HydrophobicContact CG-CD1 3.72Å; W128-Y139 HydrophobicContact CG-CD2 4.24Å; W128-Y139 AromaticContact CG-CE1 3.67Å; W128-Y139 HydrophobicContact CG-CE1 3.67Å; W128-Y139 HydrophobicContact CG-CE2 4.19Å; W128-Y139 HydrophobicContact CG-CG 4.02Å; W128-Y139 AromaticContact CG-CZ 3.92Å; W128-Y139 HydrophobicContact CZ2-CD2 4.23Å; W128-Y139 HydrophobicContact CZ2-CE2 4.01Å; W128-Y139 AromaticContact NE1-CD2 3.92Å; W128-Y139 AromaticContact NE1-CE1 3.67Å; W128-Y139 AromaticContact NE1-CE2 3.24Å; W128-Y139 AromaticContact NE1-CZ 3.09Å; W128-Y139 PolarHBondContact NE1-OH 2.9Å; A134-Y139 HydrophobicContact CB-CD1 3.91Å; A134-Y139 HydrophobicContact CB-CE1 3.69Å; Y139-S209 CarbonylContact O-C 3.56Å; Y139-S209 WeakPolarHBondContact O-CA 3.46Å; Y139-S209 WeakPolarHBondContact O-CB 3.48Å; Y139-I210 PolarHBondContact N-O 3.18Å; Y139-I210 PolarHBondContact O-N 3.49Å
140	E	53.3	Low	52.5	Low	79 Å²	79	82.2 Å²	82.2	37%	0.369	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.8	179	-174.7	-177.7	-158.4	0	0	110.3	M132 K133 I135 A142	M132-E140 CarbonylContact C-O 3.57Å; M132-E140 VanDerWaalsContact CA-O 3.25Å; M132-E140 WeakPolarHBondContact CA-O 3.39Å; K133-E140 PolarHBondContact N-O 2.9Å; K133-E140 PolarHBondContact O-N 2.65Å; I135-E140 HydrophobicContact CD1-CB 3.78Å; I135-E140 WeakPolarHBondContact CD1-OE2 3.32Å; I135-E140 HydrophobicContact CG1-CB 4.46Å; E140-A142 PolarHBondContact O-N 2.98Å
141	F	53.1	Low	53.7	Low	32 Å²	32	77.9 Å²	77.9	14%	0.14	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	115.9	172.7	-74.8	-86	0	0	0	111	K131 M132 V143 L146 I207 V208	K131-F141 CarbonylContact O-C 3.32Å; K131-F141 WeakPolarHBondContact O-CA 3.05Å; M132-F141 HydrophobicContact CE-CD1 3.98Å; M132-F141 HydrophobicContact CE-CD2 4.17Å; M132-F141 HydrophobicContact CE-CE1 3.33Å; M132-F141 HydrophobicContact CE-CE2 3.55Å; M132-F141 HydrophobicContact CE-CG 4.37Å; M132-F141 HydrophobicContact CE-CZ 3.08Å; M132-F141 HydrophobicContact CG-CD1 3.9Å; M132-F141 HydrophobicContact CG-CE1 4.1Å; M132-F141 HydrophobicContact CG-CG 4.33Å; F141-V143 PolarHBondContact O-N 3.42Å; F141-V143 VanDerWaalsContact O-N 3.12Å; F141-L146 HydrophobicContact CE1-CB 4.07Å; F141-L146 HydrophobicContact CE2-CB 3.75Å; F141-L146 HydrophobicContact CZ-CB 3.43Å; F141-L146 VanDerWaalsContact CZ-CB 3.43Å; F141-L146 HydrophobicContact CZ-CD2 4.22Å; F141-L146 HydrophobicContact CZ-CG 4.42Å; F141-I207 VanDerWaalsContact CD2-O 3.28Å; F141-I207 WeakPolarHBondContact CD2-O 3.48Å; F141-I207 HydrophobicContact CE2-CB 4.35Å; F141-I207 HydrophobicContact CE2-CG2 4.04Å; F141-I207 WeakPolarHBondContact CE2-O 3.39Å; F141-V208 PolarHBondContact N-O 3.48Å; F141-V208 VanDerWaalsContact N-O 3.17Å
142	A	51	Low	54.9	Low	65 Å²	65	72.7 Å²	72.7	54%	0.537	38%	0.383	S	S	.	.	S	Bend	trans	-66	-10.4	-179.6	0	0	0	0	0	114.9	K131 K133 E140	K131-A142 WeakPolarHBondContact O-CB 3.34Å; K131-A142 PolarHBondContact O-N 3.3Å; K133-A142 HydrophobicContact CB-CB 4.25Å; E140-A142 PolarHBondContact O-N 2.98Å
143	V	55	Low	55.9	Low	106 Å²	106	72.4 Å²	72.4	64%	0.642	38%	0.381	S	S	*	.	S	Bend	trans	-127.2	-86.5	-172.7	-170.3	0	0	0	0	113.3	K131 F141	K131-V143 HydrophobicContact CB-CG2 4.43Å; K131-V143 HydrophobicContact CG-CG2 4.42Å; F141-V143 PolarHBondContact O-N 3.42Å; F141-V143 VanDerWaalsContact O-N 3.12Å
144	K	52.8	Low	56.4	Low	175 Å²	175	67.9 Å²	67.9	76%	0.761	36%	0.364	S	S	*	.	S	Bend	trans	-123	133.9	175.5	-76.7	-174.7	179.7	-179.1	0	107.6
145	P	56.8	Low	57.1	Low	53 Å²	53	69.6 Å²	69.6	34%	0.344	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-61.5	147.9	177.8	26.6	-34.3	0	0	0	110.7	K147 T206 I207 V208	P145-K147 PolarHBondContact O-N 3.46Å; P145-T206 HydrophobicContact CB-CG2 3.48Å; P145-T206 VanDerWaalsContact CB-CG2 3.48Å; P145-T206 HydrophobicContact CG-CG2 3.46Å; P145-T206 VanDerWaalsContact CG-CG2 3.46Å; P145-I207 WeakPolarHBondContact CA-O 3.15Å; P145-I207 VanDerWaalsContact CB-O 3.23Å; P145-I207 WeakPolarHBondContact CB-O 3.42Å; P145-V208 HydrophobicContact CB-CG2 4.24Å
146	L	57.9	Low	57.4	Low	75 Å²	75	73.7 Å²	73.7	39%	0.393	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.5	179.7	178.6	68	0	0	0	109.2	F141 L148 T206 I207	F141-L146 HydrophobicContact CE1-CB 4.07Å; F141-L146 HydrophobicContact CE2-CB 3.75Å; F141-L146 HydrophobicContact CZ-CB 3.43Å; F141-L146 VanDerWaalsContact CZ-CB 3.43Å; F141-L146 HydrophobicContact CZ-CD2 4.22Å; F141-L146 HydrophobicContact CZ-CG 4.42Å; L146-L148 HydrophobicContact CD2-CD2 4.27Å; L146-L148 HydrophobicContact CD2-CG 4.35Å; L146-L148 HydrophobicContact CG-CD2 4.38Å; L146-L148 HydrophobicContact CG-CG 4.34Å; L146-T206 CarbonylContact O-C 3.52Å; L146-T206 WeakPolarHBondContact O-CA 3.49Å; L146-I207 HydrophobicContact CB-CB 4.43Å; L146-I207 HydrophobicContact CD2-CD1 4.29Å; L146-I207 PolarHBondContact N-O 3.39Å; L146-I207 VanDerWaalsContact N-O 3.12Å; L146-I207 PolarHBondContact O-N 3.33Å
147	K	59.7	Low	57.8	Low	117 Å²	117	74.9 Å²	74.9	51%	0.509	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	174.9	-72.6	175	152.6	-130.7	0	109.7	P145 E204 I205 T206	P145-K147 PolarHBondContact O-N 3.46Å; K147-E204 HydrophobicContact CB-CG 4.04Å; K147-E204 WeakPolarHBondContact CB-OE1 3.19Å; K147-E204 WeakPolarHBondContact CD-OE1 3.29Å; K147-E204 HydrophobicContact CG-CG 4.41Å; K147-E204 IonicContact NZ-OE1 3.29Å; K147-E204 IonicContact NZ-OE2 3.49Å; K147-E204 PolarHBondContact NZ-OE2 2.72Å; K147-I205 CarbonylContact C-O 3.58Å; K147-I205 WeakPolarHBondContact CA-O 3.49Å; K147-T206 HydrophobicContact CG-CG2 4.38Å
148	L	59.2	Low	57.9	Low	40 Å²	40	70.8 Å²	70.8	21%	0.209	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121	175.8	-67.2	174	0	0	0	109.2	L146 E204 I205 I207 F234	L146-L148 HydrophobicContact CD2-CD2 4.27Å; L146-L148 HydrophobicContact CD2-CG 4.35Å; L146-L148 HydrophobicContact CG-CD2 4.38Å; L146-L148 HydrophobicContact CG-CG 4.34Å; L148-E204 CarbonylContact O-C 3.51Å; L148-E204 WeakPolarHBondContact O-CA 3.48Å; L148-I205 HydrophobicContact CB-CB 4.5Å; L148-I205 PolarHBondContact N-O 3.13Å; L148-I205 PolarHBondContact O-N 3.06Å; L148-I207 HydrophobicContact CD1-CD1 3.53Å; L148-I207 HydrophobicContact CD1-CG1 4.5Å; L148-I207 HydrophobicContact CG-CD1 4.36Å; L148-F234 HydrophobicContact CD1-CD1 4.18Å; L148-F234 HydrophobicContact CD1-CE1 3.91Å; L148-F234 HydrophobicContact CD1-CZ 4.44Å
149	A	61.7	Low	58.4	Low	56 Å²	56	67.7 Å²	67.7	46%	0.463	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.3	168.9	0	0	0	0	0	109.1	Y151	A149-Y151 HydrophobicContact CB-CE2 3.89Å
150	C	65.2	Low	58.5	Low	15 Å²	15	69.5 Å²	69.5	10%	0.101	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.9	176.2	-56.2	0	0	0	0	109.6	F152 S202 T203 I205	C150-F152 HydrophobicContact CB-CE1 4.25Å; C150-F152 HydrophobicContact CB-CE2 3.61Å; C150-F152 HydrophobicContact CB-CZ 3.32Å; C150-S202 CarbonylContact O-C 3.52Å; C150-S202 VanDerWaalsContact O-CA 3.25Å; C150-S202 WeakPolarHBondContact O-CA 3.34Å; C150-T203 HydrophobicContact CB-CG2 4.25Å; C150-T203 PolarHBondContact N-O 2.92Å; C150-T203 PolarHBondContact O-N 2.85Å; C150-I205 VanDerWaalsContact SG-CD1 3.53Å
151	Y	66.6	Low	58.6	Low	71 Å²	71	67.2 Å²	67.2	28%	0.278	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.7	-179.3	-58.7	-88.4	0	0	0	109.5	A149 L162 V163 F184 V189 Y201	A149-Y151 HydrophobicContact CB-CE2 3.89Å; Y151-L162 PolarHBondContact O-N 3.38Å; Y151-V163 HydrophobicContact CD2-CG2 4.11Å; Y151-F184 AromaticContact CD1-CE1 3.67Å; Y151-F184 HydrophobicContact CD1-CE1 3.67Å; Y151-F184 AromaticContact CD1-CZ 3.74Å; Y151-F184 HydrophobicContact CD1-CZ 3.74Å; Y151-V189 HydrophobicContact CD1-CG2 4.03Å; Y151-V189 HydrophobicContact CE1-CG2 3.97Å; Y151-Y201 CarbonylContact C-O 3.44Å
152	F	66	Low	58.3	Low	9 Å²	9	67.9 Å²	67.9	4%	0.039	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.8	-175	-48.1	-82.1	0	0	0	110.4	C150 V159 L181 C200 Y201 T203 I220 L230	C150-F152 HydrophobicContact CB-CE1 4.25Å; C150-F152 HydrophobicContact CB-CE2 3.61Å; C150-F152 HydrophobicContact CB-CZ 3.32Å; F152-V159 HydrophobicContact CB-CG1 4.16Å; F152-L181 HydrophobicContact CD2-CD2 4.02Å; F152-L181 HydrophobicContact CE2-CD2 4.27Å; F152-C200 CarbonylContact O-C 3.6Å; F152-C200 VanDerWaalsContact O-CA 3.28Å; F152-C200 WeakPolarHBondContact O-CA 3.32Å; F152-Y201 WeakPolarHBondContact CD2-O 3.48Å; F152-Y201 PolarHBondContact N-O 3.01Å; F152-Y201 PolarHBondContact O-N 3.17Å; F152-T203 HydrophobicContact CE2-CG2 3.78Å; F152-T203 HydrophobicContact CZ-CG2 4.36Å; F152-I220 HydrophobicContact CE1-CD1 4.1Å; F152-I220 HydrophobicContact CE2-CD1 4.24Å; F152-I220 HydrophobicContact CZ-CD1 3.39Å; F152-L230 HydrophobicContact CD1-CD1 3.57Å; F152-L230 HydrophobicContact CE1-CD1 3.73Å
153	Y	64.3	Low	58	Low	18 Å²	18	67.1 Å²	67.1	7%	0.071	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.5	172.7	170.1	-112.6	0	0	0	109.4	K155 V159 I160 L196 S197 G198	Y153-K155 HydrophobicContact CE1-CB 3.74Å; Y153-K155 HydrophobicContact CE1-CD 4.37Å; Y153-K155 HydrophobicContact CE2-CB 4.45Å; Y153-K155 WeakPolarHBondContact OH-CD 3.5Å; Y153-V159 WeakPolarHBondContact O-CA 3.43Å; Y153-I160 HydrophobicContact CD1-CB 4.34Å; Y153-I160 HydrophobicContact CD1-CD1 4.1Å; Y153-I160 HydrophobicContact CE1-CD1 4.45Å; Y153-I160 PolarHBondContact N-O 3.17Å; Y153-I160 PolarHBondContact O-N 3.29Å; Y153-L196 HydrophobicContact CD2-CB 4Å; Y153-L196 HydrophobicContact CD2-CD1 3.95Å; Y153-L196 HydrophobicContact CD2-CG 4.43Å; Y153-L196 HydrophobicContact CE1-CD2 4.27Å; Y153-L196 HydrophobicContact CE2-CB 3.52Å; Y153-L196 HydrophobicContact CE2-CD1 4.29Å; Y153-L196 HydrophobicContact CE2-CD2 4.37Å; Y153-L196 HydrophobicContact CE2-CG 4.27Å; Y153-L196 HydrophobicContact CG-CD1 4.16Å; Y153-S197 PolarHBondContact OH-N 3.4Å; Y153-G198 VanDerWaalsContact CE2-N 3.28Å; Y153-G198 PolarHBondContact OH-N 3.23Å; Y153-G198 VanDerWaalsContact OH-N 3.15Å
154	V	63.4	Low	57.2	Low	35 Å²	35	67.9 Å²	67.9	21%	0.212	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.6	-179.7	-175.6	0	0	0	0	109.1	S158 V159 G198 S199 Y201	V154-S158 WeakPolarHBondContact CA-O 3.43Å; V154-V159 HydrophobicContact CG1-CG2 4.33Å; V154-V159 HydrophobicContact CG2-CB 4.43Å; V154-V159 HydrophobicContact CG2-CG1 3.96Å; V154-V159 HydrophobicContact CG2-CG2 4Å; V154-G198 WeakPolarHBondContact O-CA 3.37Å; V154-S199 PolarHBondContact N-O 3.36Å; V154-S199 PolarHBondContact O-N 3.29Å; V154-Y201 HydrophobicContact CB-CD2 4.32Å; V154-Y201 HydrophobicContact CB-CE2 3.91Å; V154-Y201 HydrophobicContact CG2-CD2 3.62Å; V154-Y201 HydrophobicContact CG2-CE2 3.6Å
155	K	64.5	Low	56.6	Low	87 Å²	87	66.8 Å²	66.8	38%	0.378	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.2	172.1	177.9	167.9	172.7	179.1	0	110	Y153 S157 S158 S197	Y153-K155 HydrophobicContact CE1-CB 3.74Å; Y153-K155 HydrophobicContact CE1-CD 4.37Å; Y153-K155 HydrophobicContact CE2-CB 4.45Å; Y153-K155 WeakPolarHBondContact OH-CD 3.5Å; K155-S157 VanDerWaalsContact C-N 3.34Å; K155-S157 PolarHBondContact O-N 2.68Å; K155-S158 PolarHBondContact N-O 3.25Å; K155-S158 WeakPolarHBondContact O-CB 3.47Å; K155-S158 PolarHBondContact O-N 3.24Å; K155-S197 PolarHBondContact NZ-OG 2.93Å
156	N	60.9	Low	55.2	Low	143 Å²	143	71.1 Å²	71.1	77%	0.765	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	51.9	178.2	-61	-10.5	0	0	0	112.8	S158	N156-S158 PolarHBondContact O-N 2.76Å
157	S	53.4	Low	54.1	Low	121 Å²	121	70.5 Å²	70.5	85%	0.846	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	0.1	-178	-47.6	0	0	0	0	116	K155	K155-S157 VanDerWaalsContact C-N 3.34Å; K155-S157 PolarHBondContact O-N 2.68Å
158	S	50.9	Low	52.7	Low	73 Å²	73	70.2 Å²	70.2	51%	0.51	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.7	169.7	-59.1	0	0	0	0	109.6	V154 K155 N156	V154-S158 WeakPolarHBondContact CA-O 3.43Å; K155-S158 PolarHBondContact N-O 3.25Å; K155-S158 WeakPolarHBondContact O-CB 3.47Å; K155-S158 PolarHBondContact O-N 3.24Å; N156-S158 PolarHBondContact O-N 2.76Å
159	V	56.7	Low	51.2	Low	31 Å²	31	74.5 Å²	74.5	19%	0.188	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.4	174.4	-167.7	0	0	0	0	109.1	F152 Y153 V154 I228 L230	F152-V159 HydrophobicContact CB-CG1 4.16Å; Y153-V159 WeakPolarHBondContact O-CA 3.43Å; V154-V159 HydrophobicContact CG1-CG2 4.33Å; V154-V159 HydrophobicContact CG2-CB 4.43Å; V154-V159 HydrophobicContact CG2-CG1 3.96Å; V154-V159 HydrophobicContact CG2-CG2 4Å; V159-I228 HydrophobicContact CB-CG2 3.84Å; V159-I228 HydrophobicContact CG1-CG2 4.05Å; V159-I228 HydrophobicContact CG2-CB 4.37Å; V159-I228 HydrophobicContact CG2-CD1 3.83Å; V159-I228 HydrophobicContact CG2-CG1 3.89Å; V159-I228 HydrophobicContact CG2-CG2 3.53Å; V159-L230 HydrophobicContact CB-CD1 4.27Å; V159-L230 HydrophobicContact CG1-CD1 3.63Å; V159-L230 HydrophobicContact CG1-CG 4.48Å
160	I	56.9	Low	50	Low	59 Å²	59	74.6 Å²	74.6	30%	0.303	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.4	-176.4	-59.1	171.5	0	0	0	107.3	Y153 L162	Y153-I160 HydrophobicContact CD1-CB 4.34Å; Y153-I160 HydrophobicContact CD1-CD1 4.1Å; Y153-I160 HydrophobicContact CE1-CD1 4.45Å; Y153-I160 PolarHBondContact N-O 3.17Å; Y153-I160 PolarHBondContact O-N 3.29Å; I160-L162 PolarHBondContact O-N 2.79Å
161	P	54.9	Low	48.6	Very low	31 Å²	31	78.2 Å²	78.2	20%	0.201	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	131.5	170.6	26.6	-31.7	0	0	0	109.1	V163	P161-V163 VanDerWaalsContact C-N 3.35Å
162	L	46.8	Very low	47.2	Very low	46 Å²	46	81 Å²	81	24%	0.241	46%	0.458	C	S	.	.	S	Bend	trans	-78.1	-24.5	177.1	-71.5	169.7	0	0	0	111.8	Y151 I160 F184 T192 L196 C200	Y151-L162 PolarHBondContact O-N 3.38Å; I160-L162 PolarHBondContact O-N 2.79Å; L162-F184 HydrophobicContact CD1-CZ 3.9Å; L162-T192 HydrophobicContact CB-CG2 4.35Å; L162-T192 HydrophobicContact CD1-CG2 3.87Å; L162-T192 HydrophobicContact CD2-CG2 3.91Å; L162-T192 HydrophobicContact CG-CG2 4.26Å; L162-L196 HydrophobicContact CD2-CD1 3.71Å; L162-C200 HydrophobicContact CD1-CB 4.48Å
163	V	44.4	Very low	45.9	Very low	48 Å²	48	83.7 Å²	83.7	29%	0.291	47%	0.472	S	S	.	.	S	Bend	trans	-120.5	116.4	175.2	-176.9	0	0	0	0	108	Y151 P161 W165	Y151-V163 HydrophobicContact CD2-CG2 4.11Å; P161-V163 VanDerWaalsContact C-N 3.35Å; V163-W165 HydrophobicContact CG1-CZ2 4.2Å
164	H	39.2	Very low	44.6	Very low	122 Å²	122	87.5 Å²	87.5	57%	0.565	49%	0.493	S	S	*	.			trans	-110.6	132.5	178.7	-168.3	-81.6	0	0	0	109.8	N166	H164-N166 PolarHBondContact ND1-OD1 3.28Å
165	W	38.6	Very low	43.6	Very low	152 Å²	152	88.4 Å²	88.4	58%	0.576	50%	0.496	S	S	*	.			trans	-103.8	123	176.8	-60.1	89.1	0	0	0	108.2	V163	V163-W165 HydrophobicContact CG1-CZ2 4.2Å
166	N	28.7	Very low	42.5	Very low	144 Å²	144	86.5 Å²	86.5	77%	0.77	49%	0.492	S	S	*	.			trans	-85	141.5	-173.2	-76.1	-12.8	0	0	0	112.2	H164	H164-N166 PolarHBondContact ND1-OD1 3.28Å
167	M	34.2	Very low	42	Very low	63 Å²	63	81.6 Å²	81.6	31%	0.31	47%	0.466	S	S	.	.			trans	-129.1	151.5	-164.3	-71.1	-78.4	103.2	0	0	113	S233 T235	M167-S233 WeakPolarHBondContact CG-OG 3.27Å; M167-S233 VanDerWaalsContact SD-C 3.59Å; M167-S233 VanDerWaalsContact SD-O 3.34Å; M167-T235 WeakPolarHBondContact CE-OG1 3.29Å
168	P	30.3	Very low	41.8	Very low	111 Å²	111	83.6 Å²	83.6	72%	0.721	46%	0.456	S	S	*	.			trans	-84.7	137.7	145.5	-0.2	19.9	0	0	0	110.2
169	S	28	Very low	42.2	Very low	129 Å²	129	81.2 Å²	81.2	90%	0.902	44%	0.439	S	S	*	.	S	Bend	trans	-73	131.3	-172.2	44.5	0	0	0	0	114.7
170	G	36.1	Very low	42.3	Very low	59 Å²	59	89.3 Å²	89.3	61%	0.608	47%	0.472	S	S	*	.			trans	134	85.2	149.4	0	0	0	0	0	117
171	H	36.6	Very low	42.7	Very low	90 Å²	90	88.8 Å²	88.8	42%	0.417	47%	0.469	S	S	.	.			trans	-163.7	139.5	154.2	-77.5	-77.7	0	0	0	110	S215	H171-S215 VanDerWaalsContact CB-OG 3.29Å; H171-S215 WeakPolarHBondContact CB-OG 3.25Å; H171-S215 PolarHBondContact CD2-OG 2.72Å
172	D	36.3	Very low	43.6	Very low	130 Å²	130	89.9 Å²	89.9	70%	0.695	48%	0.481	S	S	*	.			trans	-112.5	66.3	178	-72.8	-30.1	0	0	0	111
173	D	39.9	Very low	44.8	Very low	65 Å²	65	93.7 Å²	93.7	35%	0.348	50%	0.498	S	S	.	.			trans	-105.4	99.5	164.4	-90.6	-12.3	0	0	0	108.7	S211 S213 F216 D217	D173-S211 WeakPolarHBondContact OD2-CB 3.37Å; D173-S211 PolarHBondContact OD2-OG 2.95Å; D173-S213 WeakPolarHBondContact OD2-CB 3.47Å; D173-S213 PolarHBondContact OD2-OG 3.05Å; D173-F216 HydrophobicContact CB-CB 4.47Å; D173-D217 PolarHBondContact O-N 3.43Å
174	L	36.5	Very low	46.4	Very low	98 Å²	98	93 Å²	93	51%	0.513	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	105.4	-167.2	-152.1	150.3	0	0	0	111	V176 D217 I219	L174-V176 HydrophobicContact CD2-CG2 3.92Å; L174-D217 CarbonylContact C-O 3.58Å; L174-D217 WeakPolarHBondContact CA-O 3.48Å; L174-D217 HydrophobicContact CG-CB 4.41Å; L174-I219 HydrophobicContact CD1-CD1 4.03Å; L174-I219 HydrophobicContact CD2-CB 4.31Å; L174-I219 HydrophobicContact CD2-CD1 3.38Å; L174-I219 HydrophobicContact CD2-CG1 3.74Å; L174-I219 HydrophobicContact CG-CD1 4.06Å; L174-I219 HydrophobicContact CG-CG1 4.33Å
175	I	42.4	Very low	48	Very low	54 Å²	54	90.7 Å²	90.7	28%	0.277	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.4	177.5	-54.5	179.1	0	0	0	109.2	I177 F216 D217 C218 I219	I175-I177 HydrophobicContact CG2-CD1 4.17Å; I175-I177 HydrophobicContact CG2-CG1 3.94Å; I175-F216 HydrophobicContact CD1-CB 4.12Å; I175-F216 HydrophobicContact CD1-CD2 3.9Å; I175-F216 HydrophobicContact CD1-CG 4.12Å; I175-D217 PolarHBondContact N-O 3.21Å; I175-C218 CarbonylContact O-C 3.35Å; I175-C218 VanDerWaalsContact O-CA 3.26Å; I175-C218 WeakPolarHBondContact O-CA 3.28Å; I175-I219 PolarHBondContact O-N 2.65Å
176	V	42.1	Very low	49.2	Very low	48 Å²	48	84.1 Å²	84.1	29%	0.291	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.5	175.6	-176	0	0	0	0	109.6	L174 Y178 I219 R221	L174-V176 HydrophobicContact CD2-CG2 3.92Å; V176-Y178 HydrophobicContact CG1-CD2 4.37Å; V176-Y178 HydrophobicContact CG1-CE2 3.8Å; V176-I219 WeakPolarHBondContact CA-O 3.33Å; V176-I219 HydrophobicContact CG2-CB 4.39Å; V176-R221 HydrophobicContact CG1-CG 4.25Å; V176-R221 VanDerWaalsContact CG1-NH1 3.34Å
177	I	50	Low	50.8	Low	40 Å²	40	81.6 Å²	81.6	21%	0.205	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	177.1	-56	177.6	0	0	0	109.4	I175 I205 I219 I220	I175-I177 HydrophobicContact CG2-CD1 4.17Å; I175-I177 HydrophobicContact CG2-CG1 3.94Å; I177-I205 HydrophobicContact CD1-CG2 3.35Å; I177-I205 HydrophobicContact CG2-CG2 4.31Å; I177-I219 PolarHBondContact N-O 3.25Å; I177-I220 WeakPolarHBondContact O-CA 3.15Å
178	Y	49.1	Very low	52	Low	162 Å²	162	82.2 Å²	82.2	64%	0.635	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.5	175.6	-65.4	-90.7	0	0	0	109.1	V176 R221	V176-Y178 HydrophobicContact CG1-CD2 4.37Å; V176-Y178 HydrophobicContact CG1-CE2 3.8Å; Y178-R221 HydrophobicContact CD1-CB 3.8Å; Y178-R221 HydrophobicContact CE1-CB 3.54Å; Y178-R221 HydrophobicContact CE1-CG 4.26Å; Y178-R221 PolarHBondContact OH-NH1 2.84Å
179	S	57.9	Low	53.3	Low	24 Å²	24	77.7 Å²	77.7	17%	0.168	44%	0.44	C	S	.	.			trans	-131	148.1	177.4	69.1	0	0	0	0	111.7	T203	S179-T203 VanDerWaalsContact CB-OG1 3.22Å; S179-T203 WeakPolarHBondContact CB-OG1 3.41Å; S179-T203 WeakPolarHBondContact OG-CG2 3.32Å; S179-T203 PolarHBondContact OG-OG1 2.86Å
180	K	59.9	Low	54.4	Low	200 Å²	200	76.5 Å²	76.5	87%	0.87	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-77.9	129.9	176.2	-164	176.2	-178.5	-178.6	0	108.8	T203	K180-T203 PolarHBondContact O-OG1 3.18Å
181	L	64.3	Low	54.9	Low	48 Å²	48	80.5 Å²	80.5	25%	0.251	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-81.1	133.1	176	-71.6	162.5	0	0	0	110.1	F152 Y201 T222	F152-L181 HydrophobicContact CD2-CD2 4.02Å; F152-L181 HydrophobicContact CE2-CD2 4.27Å; L181-Y201 HydrophobicContact CB-CD1 4.01Å; L181-Y201 HydrophobicContact CB-CG 4.48Å; L181-T222 HydrophobicContact CD1-CG2 3.36Å; L181-T222 HydrophobicContact CG-CG2 4.24Å
182	A	73.6	Confident	55.4	Low	54 Å²	54	77 Å²	77	45%	0.446	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.8	167.5	0	0	0	0	0	108.7	Y201 S202	A182-Y201 CarbonylContact O-C 3.49Å; A182-Y201 VanDerWaalsContact O-CA 3.32Å; A182-Y201 WeakPolarHBondContact O-CA 3.41Å; A182-S202 PolarHBondContact N-O 3.06Å; A182-S202 PolarHBondContact O-N 3.01Å
183	E	73.4	Confident	55.8	Low	126 Å²	126	79.8 Å²	79.8	59%	0.589	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.1	173.5	-166.6	171.6	-165.7	0	0	109.6	S199 C200 Y201	E183-S199 VanDerWaalsContact OE1-CB 3.31Å; E183-S199 WeakPolarHBondContact OE1-CB 3.3Å; E183-S199 PolarHBondContact OE1-OG 3.41Å; E183-C200 WeakPolarHBondContact CA-O 3.44Å; E183-Y201 HydrophobicContact CB-CD1 3.96Å; E183-Y201 HydrophobicContact CB-CE1 3.91Å; E183-Y201 HydrophobicContact CG-CD1 4.23Å; E183-Y201 HydrophobicContact CG-CE1 3.96Å
184	F	76.3	Confident	56.2	Low	34 Å²	34	84.6 Å²	84.6	15%	0.149	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.8	177.7	72.4	-92.3	0	0	0	110.8	Y151 L162 C186 S188 V189 C200 Y201	Y151-F184 AromaticContact CD1-CE1 3.67Å; Y151-F184 HydrophobicContact CD1-CE1 3.67Å; Y151-F184 AromaticContact CD1-CZ 3.74Å; Y151-F184 HydrophobicContact CD1-CZ 3.74Å; L162-F184 HydrophobicContact CD1-CZ 3.9Å; F184-C186 PolarHBondContact O-N 2.7Å; F184-S188 VanDerWaalsContact CD2-OG 3.31Å; F184-S188 WeakPolarHBondContact CD2-OG 3.47Å; F184-V189 HydrophobicContact CD2-CG2 4.1Å; F184-V189 HydrophobicContact CE2-CB 4.38Å; F184-V189 HydrophobicContact CE2-CG2 3.44Å; F184-V189 VanDerWaalsContact CE2-CG2 3.44Å; F184-V189 HydrophobicContact CZ-CG2 3.86Å; F184-C200 HydrophobicContact CD1-CB 4.2Å; F184-C200 HydrophobicContact CD2-CB 4.06Å; F184-C200 HydrophobicContact CE1-CB 3.79Å; F184-C200 HydrophobicContact CE2-CB 3.62Å; F184-C200 HydrophobicContact CG-CB 4.33Å; F184-C200 HydrophobicContact CZ-CB 3.49Å; F184-C200 VanDerWaalsContact CZ-CB 3.49Å; F184-C200 PolarHBondContact N-O 3.45Å; F184-Y201 WeakPolarHBondContact CE1-O 3.24Å
185	S	72.8	Confident	57.1	Low	74 Å²	74	88.1 Å²	88.1	52%	0.517	46%	0.458	S	S	.	.			trans	-65.9	122.3	176.6	-175.7	0	0	0	0	109.9	S187 S188	S185-S187 PolarHBondContact O-N 2.89Å; S185-S187 PolarHBondContact OG-OG 3.32Å; S185-S188 WeakPolarHBondContact O-CB 3.4Å; S185-S188 PolarHBondContact O-N 3.47Å; S185-S188 PolarHBondContact O-OG 3.47Å; S185-S188 VanDerWaalsContact O-OG 3.07Å
186	C	64.9	Low	58	Low	14 Å²	14	87.5 Å²	87.5	10%	0.095	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-19.3	-178.2	-71.6	0	0	0	0	115.3	F184 T192 L196 G198 C200	F184-C186 PolarHBondContact O-N 2.7Å; C186-T192 PolarHBondContact O-OG1 3.3Å; C186-L196 HydrophobicContact CB-CB 3.92Å; C186-L196 HydrophobicContact CB-CD1 4.41Å; C186-G198 PolarHBondContact SG-O 3.45Å; C186-C200 WeakPolarHBondContact CA-SG 3.38Å; C186-C200 HydrophobicContact CB-CB 4.02Å; C186-C200 WeakPolarHBondContact CB-SG 3.41Å; C186-C200 WeakPolarHBondContact SG-CB 3.5Å; C186-C200 PolarHBondContact SG-N 3.5Å; C186-C200 VanDerWaalsContact SG-N 3.42Å; C186-C200 CovalentContact SG-SG 2.04Å; C186-C200 PolarHBondContact SG-SG 3.32Å
187	S	62.4	Low	59.1	Low	91 Å²	91	89.8 Å²	89.8	64%	0.636	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.4	175.3	51.2	0	0	0	0	115.6	S185	S185-S187 PolarHBondContact O-N 2.89Å; S185-S187 PolarHBondContact OG-OG 3.32Å
188	S	59.7	Low	60.1	Low	76 Å²	76	89 Å²	89	53%	0.531	48%	0.475	S	S	.	.	S	Bend	trans	-85.4	-17.5	-173.2	73.3	0	0	0	0	114.9	F184 S185	F184-S188 VanDerWaalsContact CD2-OG 3.31Å; F184-S188 WeakPolarHBondContact CD2-OG 3.47Å; S185-S188 WeakPolarHBondContact O-CB 3.4Å; S185-S188 PolarHBondContact O-N 3.47Å; S185-S188 PolarHBondContact O-OG 3.47Å; S185-S188 VanDerWaalsContact O-OG 3.07Å
189	V	58.2	Low	61.2	Low	15 Å²	15	83.3 Å²	83.3	9%	0.091	46%	0.459	C	S	.	.	S	Bend	trans	-94.8	118.9	-178.7	176.8	0	0	0	0	108.6	Y151 F184 E191 T192	Y151-V189 HydrophobicContact CD1-CG2 4.03Å; Y151-V189 HydrophobicContact CE1-CG2 3.97Å; F184-V189 HydrophobicContact CD2-CG2 4.1Å; F184-V189 HydrophobicContact CE2-CB 4.38Å; F184-V189 HydrophobicContact CE2-CG2 3.44Å; F184-V189 VanDerWaalsContact CE2-CG2 3.44Å; F184-V189 HydrophobicContact CZ-CG2 3.86Å; V189-E191 HydrophobicContact CG1-CB 4.21Å; V189-E191 WeakPolarHBondContact CG1-OE2 3.15Å; V189-E191 PolarHBondContact O-N 2.92Å; V189-E191 VanDerWaalsContact O-N 3.14Å; V189-T192 HydrophobicContact CB-CG2 4.09Å; V189-T192 HydrophobicContact CG1-CG2 4.23Å; V189-T192 PolarHBondContact O-N 3.48Å; V189-T192 VanDerWaalsContact O-N 3.14Å; V189-T192 PolarHBondContact O-OG1 3.41Å
190	P	50.9	Low	62	Low	104 Å²	104	82.2 Å²	82.2	68%	0.675	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.3	-177.5	-24.4	32.9	0	0	0	113.6	T192 Q193	P190-T192 VanDerWaalsContact C-N 3.31Å; P190-T192 PolarHBondContact O-N 3.42Å; P190-Q193 VanDerWaalsContact O-CG 3.27Å; P190-Q193 WeakPolarHBondContact O-CG 3.32Å
191	E	46.3	Very low	62.7	Low	144 Å²	144	74.3 Å²	74.3	67%	0.673	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-72.8	-19.9	-177.8	-62.6	110.3	-172.6	0	0	113.7	V189	V189-E191 HydrophobicContact CG1-CB 4.21Å; V189-E191 WeakPolarHBondContact CG1-OE2 3.15Å; V189-E191 PolarHBondContact O-N 2.92Å; V189-E191 VanDerWaalsContact O-N 3.14Å
192	T	47.6	Very low	63	Low	15 Å²	15	73.5 Å²	73.5	9%	0.092	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-75.6	-29.5	-175.1	54.6	0	0	0	0	112.8	L162 C186 V189 P190 R194	L162-T192 HydrophobicContact CB-CG2 4.35Å; L162-T192 HydrophobicContact CD1-CG2 3.87Å; L162-T192 HydrophobicContact CD2-CG2 3.91Å; L162-T192 HydrophobicContact CG-CG2 4.26Å; C186-T192 PolarHBondContact O-OG1 3.3Å; V189-T192 HydrophobicContact CB-CG2 4.09Å; V189-T192 HydrophobicContact CG1-CG2 4.23Å; V189-T192 PolarHBondContact O-N 3.48Å; V189-T192 VanDerWaalsContact O-N 3.14Å; V189-T192 PolarHBondContact O-OG1 3.41Å; P190-T192 VanDerWaalsContact C-N 3.31Å; P190-T192 PolarHBondContact O-N 3.42Å; T192-R194 WeakPolarHBondContact O-CA 3.44Å; T192-R194 WeakPolarHBondContact O-CB 3.48Å; T192-R194 WeakPolarHBondContact O-CD 3.3Å; T192-R194 WeakPolarHBondContact O-CG 3.05Å; T192-R194 PolarHBondContact O-N 2.91Å
193	Q	43.6	Very low	62.7	Low	190 Å²	190	71.5 Å²	71.5	89%	0.888	40%	0.397	S	S	*	.			trans	27.3	31.2	-176.7	-64.9	-162.9	-8.5	0	0	116.1	P190	P190-Q193 VanDerWaalsContact O-CG 3.27Å; P190-Q193 WeakPolarHBondContact O-CG 3.32Å
194	R	48	Very low	62.3	Low	165 Å²	165	70.2 Å²	70.2	62%	0.623	39%	0.391	S	S	*	.	S	Bend	trans	-133.8	127.5	-170.2	-74.8	168	-173.4	-168.6	2.5	107.4	T192 L196	T192-R194 WeakPolarHBondContact O-CA 3.44Å; T192-R194 WeakPolarHBondContact O-CB 3.48Å; T192-R194 WeakPolarHBondContact O-CD 3.3Å; T192-R194 WeakPolarHBondContact O-CG 3.05Å; T192-R194 PolarHBondContact O-N 2.91Å; R194-L196 VanDerWaalsContact C-N 3.27Å; R194-L196 HydrophobicContact CB-CD2 3.89Å; R194-L196 HydrophobicContact CB-CG 3.86Å; R194-L196 PolarHBondContact O-N 3.37Å
195	N	55.3	Low	61.7	Low	172 Å²	172	68.9 Å²	68.9	92%	0.92	39%	0.385	S	S	*	.			trans	-70	87.3	165.2	-86.8	-17	0	0	0	108.8
196	L	61	Low	61.1	Low	41 Å²	41	67.9 Å²	67.9	22%	0.215	38%	0.376	C	S	.	.			trans	-87.3	131.2	179.1	-62.7	173.1	0	0	0	109.9	Y153 L162 C186 R194	Y153-L196 HydrophobicContact CD2-CB 4Å; Y153-L196 HydrophobicContact CD2-CD1 3.95Å; Y153-L196 HydrophobicContact CD2-CG 4.43Å; Y153-L196 HydrophobicContact CE1-CD2 4.27Å; Y153-L196 HydrophobicContact CE2-CB 3.52Å; Y153-L196 HydrophobicContact CE2-CD1 4.29Å; Y153-L196 HydrophobicContact CE2-CD2 4.37Å; Y153-L196 HydrophobicContact CE2-CG 4.27Å; Y153-L196 HydrophobicContact CG-CD1 4.16Å; L162-L196 HydrophobicContact CD2-CD1 3.71Å; C186-L196 HydrophobicContact CB-CB 3.92Å; C186-L196 HydrophobicContact CB-CD1 4.41Å; R194-L196 VanDerWaalsContact C-N 3.27Å; R194-L196 HydrophobicContact CB-CD2 3.89Å; R194-L196 HydrophobicContact CB-CG 3.86Å; R194-L196 PolarHBondContact O-N 3.37Å
197	S	66.2	Low	60.9	Low	96 Å²	96	67.7 Å²	67.7	67%	0.671	37%	0.374	S	S	*	.			trans	-97.1	6.6	-175.1	69	0	0	0	0	115.4	Y153 K155	Y153-S197 PolarHBondContact OH-N 3.4Å; K155-S197 PolarHBondContact NZ-OG 2.93Å
198	G	70.1	Confident	60.5	Low	23 Å²	23	67 Å²	67	24%	0.237	37%	0.366	C	S	.	.	S	Bend	trans	-103.5	-170.8	173	0	0	0	0	0	112.6	Y153 V154 C186	Y153-G198 VanDerWaalsContact CE2-N 3.28Å; Y153-G198 PolarHBondContact OH-N 3.23Å; Y153-G198 VanDerWaalsContact OH-N 3.15Å; V154-G198 WeakPolarHBondContact O-CA 3.37Å; C186-G198 PolarHBondContact SG-O 3.45Å
199	S	73.3	Confident	60.3	Low	43 Å²	43	65.9 Å²	65.9	30%	0.301	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.8	177.5	-71.8	0	0	0	0	110.7	V154 E183 Y201	V154-S199 PolarHBondContact N-O 3.36Å; V154-S199 PolarHBondContact O-N 3.29Å; E183-S199 VanDerWaalsContact OE1-CB 3.31Å; E183-S199 WeakPolarHBondContact OE1-CB 3.3Å; E183-S199 PolarHBondContact OE1-OG 3.41Å; S199-Y201 VanDerWaalsContact CB-CE2 3.47Å
200	C	75.2	Confident	60.2	Low	1 Å²	1	65.4 Å²	65.4	1%	0.007	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.3	175.2	-67.7	0	0	0	0	110.6	F152 L162 E183 F184 C186	F152-C200 CarbonylContact O-C 3.6Å; F152-C200 VanDerWaalsContact O-CA 3.28Å; F152-C200 WeakPolarHBondContact O-CA 3.32Å; L162-C200 HydrophobicContact CD1-CB 4.48Å; E183-C200 WeakPolarHBondContact CA-O 3.44Å; F184-C200 HydrophobicContact CD1-CB 4.2Å; F184-C200 HydrophobicContact CD2-CB 4.06Å; F184-C200 HydrophobicContact CE1-CB 3.79Å; F184-C200 HydrophobicContact CE2-CB 3.62Å; F184-C200 HydrophobicContact CG-CB 4.33Å; F184-C200 HydrophobicContact CZ-CB 3.49Å; F184-C200 VanDerWaalsContact CZ-CB 3.49Å; F184-C200 PolarHBondContact N-O 3.45Å; C186-C200 WeakPolarHBondContact CA-SG 3.38Å; C186-C200 HydrophobicContact CB-CB 4.02Å; C186-C200 WeakPolarHBondContact CB-SG 3.41Å; C186-C200 WeakPolarHBondContact SG-CB 3.5Å; C186-C200 PolarHBondContact SG-N 3.5Å; C186-C200 VanDerWaalsContact SG-N 3.42Å; C186-C200 CovalentContact SG-SG 2.04Å; C186-C200 PolarHBondContact SG-SG 3.32Å
201	Y	73.3	Confident	60.1	Low	35 Å²	35	61.5 Å²	61.5	14%	0.137	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.8	-177.4	-59.9	-89.1	0	0	0	110.4	Y151 F152 V154 L181 A182 E183 F184 S199	Y151-Y201 CarbonylContact C-O 3.44Å; F152-Y201 WeakPolarHBondContact CD2-O 3.48Å; F152-Y201 PolarHBondContact N-O 3.01Å; F152-Y201 PolarHBondContact O-N 3.17Å; V154-Y201 HydrophobicContact CB-CD2 4.32Å; V154-Y201 HydrophobicContact CB-CE2 3.91Å; V154-Y201 HydrophobicContact CG2-CD2 3.62Å; V154-Y201 HydrophobicContact CG2-CE2 3.6Å; L181-Y201 HydrophobicContact CB-CD1 4.01Å; L181-Y201 HydrophobicContact CB-CG 4.48Å; A182-Y201 CarbonylContact O-C 3.49Å; A182-Y201 VanDerWaalsContact O-CA 3.32Å; A182-Y201 WeakPolarHBondContact O-CA 3.41Å; E183-Y201 HydrophobicContact CB-CD1 3.96Å; E183-Y201 HydrophobicContact CB-CE1 3.91Å; E183-Y201 HydrophobicContact CG-CD1 4.23Å; E183-Y201 HydrophobicContact CG-CE1 3.96Å; F184-Y201 WeakPolarHBondContact CE1-O 3.24Å; S199-Y201 VanDerWaalsContact CB-CE2 3.47Å
202	S	70.5	Confident	60.1	Low	30 Å²	30	56.8 Å²	56.8	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.3	171	63.5	0	0	0	0	109.9	C150 A182	C150-S202 CarbonylContact O-C 3.52Å; C150-S202 VanDerWaalsContact O-CA 3.25Å; C150-S202 WeakPolarHBondContact O-CA 3.34Å; A182-S202 PolarHBondContact N-O 3.06Å; A182-S202 PolarHBondContact O-N 3.01Å
203	T	67.9	Low	60	Low	12 Å²	12	56.8 Å²	56.8	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.9	168.1	-156	0	0	0	0	109.3	C150 F152 S179 K180 I205 I220	C150-T203 HydrophobicContact CB-CG2 4.25Å; C150-T203 PolarHBondContact N-O 2.92Å; C150-T203 PolarHBondContact O-N 2.85Å; F152-T203 HydrophobicContact CE2-CG2 3.78Å; F152-T203 HydrophobicContact CZ-CG2 4.36Å; S179-T203 VanDerWaalsContact CB-OG1 3.22Å; S179-T203 WeakPolarHBondContact CB-OG1 3.41Å; S179-T203 WeakPolarHBondContact OG-CG2 3.32Å; S179-T203 PolarHBondContact OG-OG1 2.86Å; K180-T203 PolarHBondContact O-OG1 3.18Å; T203-I205 HydrophobicContact CG2-CG1 4.28Å; T203-I220 HydrophobicContact CG2-CD1 4.37Å
204	E	65.7	Low	59.9	Low	100 Å²	100	53 Å²	53	47%	0.467	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.2	175.6	-166.7	179.6	-137.4	0	0	108.4	K147 L148	K147-E204 HydrophobicContact CB-CG 4.04Å; K147-E204 WeakPolarHBondContact CB-OE1 3.19Å; K147-E204 WeakPolarHBondContact CD-OE1 3.29Å; K147-E204 HydrophobicContact CG-CG 4.41Å; K147-E204 IonicContact NZ-OE1 3.29Å; K147-E204 IonicContact NZ-OE2 3.49Å; K147-E204 PolarHBondContact NZ-OE2 2.72Å; L148-E204 CarbonylContact O-C 3.51Å; L148-E204 WeakPolarHBondContact O-CA 3.48Å
205	I	62.5	Low	59.6	Low	5 Å²	5	45.7 Å²	45.7	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.4	175.9	-57.4	178.7	0	0	0	107.9	K147 L148 C150 I177 T203 I207 I220	K147-I205 CarbonylContact C-O 3.58Å; K147-I205 WeakPolarHBondContact CA-O 3.49Å; L148-I205 HydrophobicContact CB-CB 4.5Å; L148-I205 PolarHBondContact N-O 3.13Å; L148-I205 PolarHBondContact O-N 3.06Å; C150-I205 VanDerWaalsContact SG-CD1 3.53Å; I177-I205 HydrophobicContact CD1-CG2 3.35Å; I177-I205 HydrophobicContact CG2-CG2 4.31Å; T203-I205 HydrophobicContact CG2-CG1 4.28Å; I205-I207 HydrophobicContact CG2-CG1 4.35Å; I205-I220 HydrophobicContact CD1-CD1 3.59Å; I205-I220 HydrophobicContact CD1-CG1 3.95Å; I205-I220 HydrophobicContact CG1-CD1 4.44Å
206	T	60	Low	59.2	Low	53 Å²	53	38 Å²	38	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	108.8	175.7	-58	0	0	0	0	109.1	P145 L146 K147 V208	P145-T206 HydrophobicContact CB-CG2 3.48Å; P145-T206 VanDerWaalsContact CB-CG2 3.48Å; P145-T206 HydrophobicContact CG-CG2 3.46Å; P145-T206 VanDerWaalsContact CG-CG2 3.46Å; L146-T206 CarbonylContact O-C 3.52Å; L146-T206 WeakPolarHBondContact O-CA 3.49Å; K147-T206 HydrophobicContact CG-CG2 4.38Å; T206-V208 HydrophobicContact CG2-CG2 4.37Å
207	I	60.7	Low	58.4	Low	11 Å²	11	37 Å²	37	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.7	175.7	-57.7	169.3	0	0	0	108.1	F141 P145 L146 L148 I205 I210 F216	F141-I207 VanDerWaalsContact CD2-O 3.28Å; F141-I207 WeakPolarHBondContact CD2-O 3.48Å; F141-I207 HydrophobicContact CE2-CB 4.35Å; F141-I207 HydrophobicContact CE2-CG2 4.04Å; F141-I207 WeakPolarHBondContact CE2-O 3.39Å; P145-I207 WeakPolarHBondContact CA-O 3.15Å; P145-I207 VanDerWaalsContact CB-O 3.23Å; P145-I207 WeakPolarHBondContact CB-O 3.42Å; L146-I207 HydrophobicContact CB-CB 4.43Å; L146-I207 HydrophobicContact CD2-CD1 4.29Å; L146-I207 PolarHBondContact N-O 3.39Å; L146-I207 VanDerWaalsContact N-O 3.12Å; L146-I207 PolarHBondContact O-N 3.33Å; L148-I207 HydrophobicContact CD1-CD1 3.53Å; L148-I207 HydrophobicContact CD1-CG1 4.5Å; L148-I207 HydrophobicContact CG-CD1 4.36Å; I205-I207 HydrophobicContact CG2-CG1 4.35Å; I207-I210 HydrophobicContact CG2-CD1 4.35Å; I207-I210 HydrophobicContact CG2-CG1 3.81Å; I207-F216 HydrophobicContact CD1-CE2 4.16Å; I207-F216 HydrophobicContact CD1-CZ 3.64Å
208	V	55.5	Low	57.4	Low	77 Å²	77	32.6 Å²	32.6	47%	0.467	20%	0.203	S	C	.	.			trans	-91.1	-38.8	179.6	-175.1	0	0	0	0	111.1	F141 P145 T206	F141-V208 PolarHBondContact N-O 3.48Å; F141-V208 VanDerWaalsContact N-O 3.17Å; P145-V208 HydrophobicContact CB-CG2 4.24Å; T206-V208 HydrophobicContact CG2-CG2 4.37Å
209	S	55.1	Low	56.1	Low	52 Å²	52	32.3 Å²	32.3	36%	0.364	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.5	179.9	58.6	0	0	0	0	111.9	Y139	Y139-S209 CarbonylContact O-C 3.56Å; Y139-S209 WeakPolarHBondContact O-CA 3.46Å; Y139-S209 WeakPolarHBondContact O-CB 3.48Å
210	I	54.7	Low	54.8	Low	4 Å²	4	31 Å²	31	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.9	176.2	-45	-176.7	0	0	0	108.2	M132 Y139 I207 F216 V236	M132-I210 HydrophobicContact CE-CD1 3.65Å; M132-I210 HydrophobicContact CE-CG1 4.27Å; Y139-I210 PolarHBondContact N-O 3.18Å; Y139-I210 PolarHBondContact O-N 3.49Å; I207-I210 HydrophobicContact CG2-CD1 4.35Å; I207-I210 HydrophobicContact CG2-CG1 3.81Å; I210-F216 HydrophobicContact CD1-CE1 4.15Å; I210-F216 HydrophobicContact CG2-CD1 3.61Å; I210-F216 HydrophobicContact CG2-CE1 3.98Å; I210-F216 HydrophobicContact CG2-CG 4.42Å; I210-V236 HydrophobicContact CD1-CG2 4.17Å
211	S	50.2	Low	53.2	Low	22 Å²	22	34.7 Å²	34.7	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	154.1	167.1	47.8	0	0	0	0	109.1	D173 S213	D173-S211 WeakPolarHBondContact OD2-CB 3.37Å; D173-S211 PolarHBondContact OD2-OG 2.95Å; S211-S213 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact OG-OG 3.44Å
212	G	45.7	Very low	51.9	Low	45 Å²	45	33.9 Å²	33.9	46%	0.464	20%	0.198	S	C	.	.	S	Bend	trans	-68.5	21	-173.3	0	0	0	0	0	116.7
213	S	46.4	Very low	50.7	Low	16 Å²	16	38 Å²	38	11%	0.112	23%	0.227	C	C	.	.	S	Bend	trans	-92.3	152.1	176.7	49.1	0	0	0	0	112.2	D173 S211 S215	D173-S213 WeakPolarHBondContact OD2-CB 3.47Å; D173-S213 PolarHBondContact OD2-OG 3.05Å; S211-S213 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact OG-OG 3.44Å; S213-S215 PolarHBondContact O-N 3.18Å; S213-S215 PolarHBondContact OG-O 2.91Å
214	D	41.6	Very low	49.8	Very low	111 Å²	111	43.8 Å²	43.8	59%	0.594	26%	0.257	S	S	*	.	S	Bend	trans	-72.5	-14	-174.9	-49.8	-4.4	0	0	0	112.5
215	S	41.7	Very low	48.7	Very low	10 Å²	10	43.9 Å²	43.9	7%	0.07	26%	0.257	C	S	.	.			trans	-151.8	150.9	171.1	56.2	0	0	0	0	112.7	H171 S213 F234	H171-S215 VanDerWaalsContact CB-OG 3.29Å; H171-S215 WeakPolarHBondContact CB-OG 3.25Å; H171-S215 PolarHBondContact CD2-OG 2.72Å; S213-S215 PolarHBondContact O-N 3.18Å; S213-S215 PolarHBondContact OG-O 2.91Å; S215-F234 VanDerWaalsContact CA-O 3.25Å; S215-F234 WeakPolarHBondContact CA-O 3.24Å; S215-F234 WeakPolarHBondContact CB-O 3.35Å
216	F	45.3	Very low	47.8	Very low	10 Å²	10	49 Å²	49	4%	0.044	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.9	176.1	63.2	-85.8	0	0	0	110.3	D173 I175 I207 I210 S233 F234	D173-F216 HydrophobicContact CB-CB 4.47Å; I175-F216 HydrophobicContact CD1-CB 4.12Å; I175-F216 HydrophobicContact CD1-CD2 3.9Å; I175-F216 HydrophobicContact CD1-CG 4.12Å; I207-F216 HydrophobicContact CD1-CE2 4.16Å; I207-F216 HydrophobicContact CD1-CZ 3.64Å; I210-F216 HydrophobicContact CD1-CE1 4.15Å; I210-F216 HydrophobicContact CG2-CD1 3.61Å; I210-F216 HydrophobicContact CG2-CE1 3.98Å; I210-F216 HydrophobicContact CG2-CG 4.42Å; F216-S233 WeakPolarHBondContact O-CA 3.47Å; F216-F234 HydrophobicContact CD1-CB 4.42Å; F216-F234 HydrophobicContact CD2-CD2 4.2Å; F216-F234 HydrophobicContact CE1-CB 3.76Å; F216-F234 HydrophobicContact CE2-CB 4.1Å; F216-F234 AromaticContact CE2-CD2 3.56Å; F216-F234 HydrophobicContact CE2-CD2 3.56Å; F216-F234 HydrophobicContact CE2-CE2 4.32Å; F216-F234 HydrophobicContact CE2-CG 4.1Å; F216-F234 HydrophobicContact CZ-CB 3.56Å; F216-F234 AromaticContact CZ-CD2 3.85Å; F216-F234 HydrophobicContact CZ-CD2 3.85Å; F216-F234 AromaticContact CZ-CG 3.89Å; F216-F234 HydrophobicContact CZ-CG 3.89Å; F216-F234 PolarHBondContact O-N 3.48Å
217	D	44.8	Very low	46.7	Very low	20 Å²	20	52.1 Å²	52.1	11%	0.107	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128	176.3	-81.9	-24	0	0	0	110.1	D173 L174 I175 S233	D173-D217 PolarHBondContact O-N 3.43Å; L174-D217 CarbonylContact C-O 3.58Å; L174-D217 WeakPolarHBondContact CA-O 3.48Å; L174-D217 HydrophobicContact CG-CB 4.41Å; I175-D217 PolarHBondContact N-O 3.21Å; D217-S233 WeakPolarHBondContact OD1-CB 3.43Å
218	C	44.8	Very low	45.9	Very low	5 Å²	5	53.1 Å²	53.1	3%	0.034	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.3	175.2	-173.7	0	0	0	0	111.4	I175 N232 F234	I175-C218 CarbonylContact O-C 3.35Å; I175-C218 VanDerWaalsContact O-CA 3.26Å; I175-C218 WeakPolarHBondContact O-CA 3.28Å; C218-N232 PolarHBondContact N-O 3.35Å; C218-N232 VanDerWaalsContact N-O 3.15Å; C218-F234 HydrophobicContact CB-CD2 4.49Å; C218-F234 HydrophobicContact CB-CE2 3.82Å
219	I	44.4	Very low	45.1	Very low	17 Å²	17	52.9 Å²	52.9	9%	0.087	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	168.4	-66.6	-176.1	0	0	0	110	L174 I175 V176 I177 R221 A229 T231	L174-I219 HydrophobicContact CD1-CD1 4.03Å; L174-I219 HydrophobicContact CD2-CB 4.31Å; L174-I219 HydrophobicContact CD2-CD1 3.38Å; L174-I219 HydrophobicContact CD2-CG1 3.74Å; L174-I219 HydrophobicContact CG-CD1 4.06Å; L174-I219 HydrophobicContact CG-CG1 4.33Å; I175-I219 PolarHBondContact O-N 2.65Å; V176-I219 WeakPolarHBondContact CA-O 3.33Å; V176-I219 HydrophobicContact CG2-CB 4.39Å; I177-I219 PolarHBondContact N-O 3.25Å; I219-R221 HydrophobicContact CG2-CG 4.08Å; I219-A229 HydrophobicContact CG2-CB 4.43Å; I219-T231 HydrophobicContact CG1-CG2 4.45Å
220	I	44.1	Very low	44.5	Very low	14 Å²	14	52 Å²	52	7%	0.072	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.4	178.4	-54.2	167	0	0	0	109.7	F152 I177 T203 I205	F152-I220 HydrophobicContact CE1-CD1 4.1Å; F152-I220 HydrophobicContact CE2-CD1 4.24Å; F152-I220 HydrophobicContact CZ-CD1 3.39Å; I177-I220 WeakPolarHBondContact O-CA 3.15Å; T203-I220 HydrophobicContact CG2-CD1 4.37Å; I205-I220 HydrophobicContact CD1-CD1 3.59Å; I205-I220 HydrophobicContact CD1-CG1 3.95Å; I205-I220 HydrophobicContact CG1-CD1 4.44Å
221	R	43.3	Very low	43.6	Very low	80 Å²	80	56 Å²	56	30%	0.302	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.7	177	-68.6	-173	-177.6	120.9	6.7	111.3	V176 Y178 I219	V176-R221 HydrophobicContact CG1-CG 4.25Å; V176-R221 VanDerWaalsContact CG1-NH1 3.34Å; Y178-R221 HydrophobicContact CD1-CB 3.8Å; Y178-R221 HydrophobicContact CE1-CB 3.54Å; Y178-R221 HydrophobicContact CE1-CG 4.26Å; Y178-R221 PolarHBondContact OH-NH1 2.84Å; I219-R221 HydrophobicContact CG2-CG 4.08Å
222	T	44.6	Very low	43	Very low	17 Å²	17	56.1 Å²	56.1	10%	0.104	33%	0.334	C	S	.	.			trans	-109	139.1	-177.5	86.4	0	0	0	0	110.3	L181 N224 H225 I228	L181-T222 HydrophobicContact CD1-CG2 3.36Å; L181-T222 HydrophobicContact CG-CG2 4.24Å; T222-N224 VanDerWaalsContact C-N 3.31Å; T222-N224 PolarHBondContact O-N 3.43Å; T222-H225 PolarHBondContact OG1-N 3.21Å; T222-H225 PolarHBondContact OG1-O 2.84Å; T222-I228 HydrophobicContact CG2-CD1 4.13Å
223	S	46.4	Very low	42.5	Very low	117 Å²	117	55.9 Å²	55.9	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-73.6	-18.8	-178.4	58.3	0	0	0	0	114.4
224	N	48.1	Very low	42.2	Very low	133 Å²	133	56.4 Å²	56.4	71%	0.711	33%	0.326	S	S	*	.	S	Bend	trans	-108.7	-13.2	-166.7	-67.6	9.5	0	0	0	113.9	T222	T222-N224 VanDerWaalsContact C-N 3.31Å; T222-N224 PolarHBondContact O-N 3.43Å
225	H	43	Very low	42	Very low	102 Å²	102	53.6 Å²	53.6	47%	0.472	31%	0.313	S	S	.	.	S	Bend	trans	-135.6	132.8	176	-63.2	-60.6	0	0	0	108.6	T222 D227 I228	T222-H225 PolarHBondContact OG1-N 3.21Å; T222-H225 PolarHBondContact OG1-O 2.84Å; H225-D227 PolarHBondContact O-N 2.95Å; H225-I228 HydrophobicContact CB-CD1 4.04Å
226	S	43.4	Very low	41.5	Very low	114 Å²	114	56.3 Å²	56.3	80%	0.797	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.2	122.8	177.3	49.1	0	0	0	0	111.7	I228	S226-I228 PolarHBondContact O-N 3.36Å
227	D	37.2	Very low	40.7	Very low	117 Å²	117	63.6 Å²	63.6	63%	0.626	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-15.4	92	-176.7	-70	-39.8	0	0	0	114.4	H225 A229	H225-D227 PolarHBondContact O-N 2.95Å; D227-A229 PolarHBondContact O-N 3.29Å; D227-A229 VanDerWaalsContact O-N 3.1Å
228	I	43.2	Very low	40.2	Very low	33 Å²	33	67.8 Å²	67.8	17%	0.169	39%	0.386	C	S	.	.			trans	-76.8	97.2	173.3	-64.7	160.1	0	0	0	106.9	V159 T222 H225 S226 L230	V159-I228 HydrophobicContact CB-CG2 3.84Å; V159-I228 HydrophobicContact CG1-CG2 4.05Å; V159-I228 HydrophobicContact CG2-CB 4.37Å; V159-I228 HydrophobicContact CG2-CD1 3.83Å; V159-I228 HydrophobicContact CG2-CG1 3.89Å; V159-I228 HydrophobicContact CG2-CG2 3.53Å; T222-I228 HydrophobicContact CG2-CD1 4.13Å; H225-I228 HydrophobicContact CB-CD1 4.04Å; S226-I228 PolarHBondContact O-N 3.36Å; I228-L230 HydrophobicContact CG2-CD1 4.13Å; I228-L230 HydrophobicContact CG2-CG 4.02Å; I228-L230 PolarHBondContact O-N 3.29Å
229	A	40	Very low	39.3	Very low	72 Å²	72	75.6 Å²	75.6	60%	0.595	42%	0.42	S	S	*	.			trans	-82.8	105.1	170.5	0	0	0	0	0	109.5	I219 D227	I219-A229 HydrophobicContact CG2-CB 4.43Å; D227-A229 PolarHBondContact O-N 3.29Å; D227-A229 VanDerWaalsContact O-N 3.1Å
230	L	41.1	Very low	38.5	Very low	32 Å²	32	82.5 Å²	82.5	17%	0.168	46%	0.456	C	S	.	.			trans	-109.9	117.9	164.7	-74	167.5	0	0	0	107.4	F152 V159 I228	F152-L230 HydrophobicContact CD1-CD1 3.57Å; F152-L230 HydrophobicContact CE1-CD1 3.73Å; V159-L230 HydrophobicContact CB-CD1 4.27Å; V159-L230 HydrophobicContact CG1-CD1 3.63Å; V159-L230 HydrophobicContact CG1-CG 4.48Å; I228-L230 HydrophobicContact CG2-CD1 4.13Å; I228-L230 HydrophobicContact CG2-CG 4.02Å; I228-L230 PolarHBondContact O-N 3.29Å
231	T	37.4	Very low	37.6	Very low	88 Å²	88	87.2 Å²	87.2	54%	0.54	49%	0.486	S	S	.	.			trans	-89.2	106.7	171.2	45.5	0	0	0	0	108.3	I219	I219-T231 HydrophobicContact CG1-CG2 4.45Å
232	N	37.4	Very low	36.9	Very low	25 Å²	25	90.1 Å²	90.1	13%	0.134	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.5	163.4	-86.6	-15.3	0	0	0	107.7	C218 F234	C218-N232 PolarHBondContact N-O 3.35Å; C218-N232 VanDerWaalsContact N-O 3.15Å; N232-F234 HydrophobicContact CB-CE2 3.87Å; N232-F234 HydrophobicContact CB-CZ 3.91Å; N232-F234 WeakPolarHBondContact O-CD2 3.3Å; N232-F234 VanDerWaalsContact O-CE2 3.29Å; N232-F234 WeakPolarHBondContact O-CE2 3.43Å
233	S	35.3	Very low	36	Very low	41 Å²	41	96.7 Å²	96.7	29%	0.287	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.3	172.6	21	0	0	0	0	109.6	M167 F216 D217	M167-S233 WeakPolarHBondContact CG-OG 3.27Å; M167-S233 VanDerWaalsContact SD-C 3.59Å; M167-S233 VanDerWaalsContact SD-O 3.34Å; F216-S233 WeakPolarHBondContact O-CA 3.47Å; D217-S233 WeakPolarHBondContact OD1-CB 3.43Å
234	F	38.5	Very low	35	Very low	26 Å²	26	98.8 Å²	98.8	11%	0.114	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.2	-178.8	-60	-90.5	0	0	0	110.4	L148 S215 F216 C218 N232	L148-F234 HydrophobicContact CD1-CD1 4.18Å; L148-F234 HydrophobicContact CD1-CE1 3.91Å; L148-F234 HydrophobicContact CD1-CZ 4.44Å; S215-F234 VanDerWaalsContact CA-O 3.25Å; S215-F234 WeakPolarHBondContact CA-O 3.24Å; S215-F234 WeakPolarHBondContact CB-O 3.35Å; F216-F234 HydrophobicContact CD1-CB 4.42Å; F216-F234 HydrophobicContact CD2-CD2 4.2Å; F216-F234 HydrophobicContact CE1-CB 3.76Å; F216-F234 HydrophobicContact CE2-CB 4.1Å; F216-F234 AromaticContact CE2-CD2 3.56Å; F216-F234 HydrophobicContact CE2-CD2 3.56Å; F216-F234 HydrophobicContact CE2-CE2 4.32Å; F216-F234 HydrophobicContact CE2-CG 4.1Å; F216-F234 HydrophobicContact CZ-CB 3.56Å; F216-F234 AromaticContact CZ-CD2 3.85Å; F216-F234 HydrophobicContact CZ-CD2 3.85Å; F216-F234 AromaticContact CZ-CG 3.89Å; F216-F234 HydrophobicContact CZ-CG 3.89Å; F216-F234 PolarHBondContact O-N 3.48Å; C218-F234 HydrophobicContact CB-CD2 4.49Å; C218-F234 HydrophobicContact CB-CE2 3.82Å; N232-F234 HydrophobicContact CB-CE2 3.87Å; N232-F234 HydrophobicContact CB-CZ 3.91Å; N232-F234 WeakPolarHBondContact O-CD2 3.3Å; N232-F234 VanDerWaalsContact O-CE2 3.29Å; N232-F234 WeakPolarHBondContact O-CE2 3.43Å
235	T	37.3	Very low	34.1	Very low	52 Å²	52	100.8 Å²	100.8	32%	0.319	54%	0.544	S	S	.	.			trans	-117.4	132.2	172	-54.9	0	0	0	0	109.1	M167 L237	M167-T235 WeakPolarHBondContact CE-OG1 3.29Å; T235-L237 HydrophobicContact CG2-CD2 4.11Å; T235-L237 HydrophobicContact CG2-CG 4.32Å; T235-L237 PolarHBondContact O-N 2.84Å
236	V	31.8	Very low	33.6	Very low	68 Å²	68	101.6 Å²	101.6	41%	0.412	56%	0.558	S	S	.	*			trans	-84.1	95.4	172	-178.1	0	0	0	0	108.6	I210	I210-V236 HydrophobicContact CD1-CG2 4.17Å
237	L	28.1	Very low	32.9	Very low	163 Å²	163	106.2 Å²	106.2	85%	0.853	56%	0.56	S	S	*	*			trans	-81.3	122.1	173.2	-65.3	170.4	0	0	0	110.3	T235	T235-L237 HydrophobicContact CG2-CD2 4.11Å; T235-L237 HydrophobicContact CG2-CG 4.32Å; T235-L237 PolarHBondContact O-N 2.84Å
238	Q	35.3	Very low	32.5	Very low	107 Å²	107	105 Å²	105	50%	0.5	56%	0.561	S	S	.	*			trans	-128.1	143.1	167.2	-171.1	-179.4	-13.7	0	0	107.2
239	K	25.4	Very low	31.8	Very low	169 Å²	169	108.2 Å²	108.2	74%	0.735	59%	0.586	S	S	*	*			cis	-158.6	145.8	-18.8	170.4	179.1	-179	-174.7	0	106.4	T241	K239-T241 PolarHBondContact O-N 3Å
240	L	27.8	Very low	31.3	Very low	162 Å²	162	112.2 Å²	112.2	85%	0.848	60%	0.597	S	S	*	*			trans	-58.2	113.1	168.4	-79.8	130	0	0	0	112.4
241	T	25.9	Very low	30.5	Very low	114 Å²	114	116.8 Å²	116.8	70%	0.699	63%	0.627	S	S	*	*			trans	-121.5	117.1	155.4	41.7	0	0	0	0	103.9	K239	K239-T241 PolarHBondContact O-N 3Å
242	D	27	Very low	30	Very low	141 Å²	141	121.4 Å²	121.4	75%	0.754	64%	0.642	S	S	*	*			cis	-156.4	110.2	25.3	-66.7	-51.7	0	0	0	108.4
243	I	27.1	Very low	29.4	Very low	155 Å²	155	130.4 Å²	130.4	80%	0.795	68%	0.68	S	S	*	*			trans	-139.3	77.3	158.5	-53.8	-180	0	0	0	107.5	F245	I243-F245 PolarHBondContact O-N 3.33Å
244	L	24.4	Very low	28.7	Very low	160 Å²	160	137.4 Å²	137.4	84%	0.838	71%	0.709	S	S	*	*			trans	-76.6	85.3	161	-81.6	162.5	0	0	0	108.1
245	F	29	Very low	28	Very low	175 Å²	175	140.2 Å²	140.2	77%	0.768	74%	0.736	S	S	*	*			trans	-152.6	126.7	148.9	-91.3	-71.4	0	0	0	109.8	I243 Y247	I243-F245 PolarHBondContact O-N 3.33Å; F245-Y247 PolarHBondContact O-N 2.86Å
246	P	33.2	Very low	27.5	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	75%	0.751	S	S	*	*			trans	-85.3	111.9	-178.7	33.1	-27	0	0	0	108.6
247	Y	28.1	Very low	27.1	Very low	211 Å²	211	145.8 Å²	145.8	83%	0.827	77%	0.767	S	S	*	*			trans	-115.2	127.9	158.8	-83.6	-78.8	0	0	0	110.1	F245	F245-Y247 PolarHBondContact O-N 2.86Å
248	S	29.2	Very low	27.4	Very low	93 Å²	93	144.7 Å²	144.7	65%	0.65	76%	0.756	S	S	*	*			trans	-44.1	147.6	176.9	44.9	0	0	0	0	115.7
249	S	29.1	Very low	27.1	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	77%	0.772	S	S	*	*	S	Bend	trans	2.5	134.4	150.3	54	0	0	0	0	118.4
250	D	28.8	Very low	27.3	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	76%	0.763	S	S	*	*			trans	79.4	70.1	166.4	-53	-22.9	0	0	0	115.7
251	T	25.5	Very low	27.4	Very low	128 Å²	128	142.4 Å²	142.4	79%	0.785	75%	0.749	S	S	*	*			trans	-129.7	100.6	150.2	34.9	0	0	0	0	108.6	F253	T251-F253 PolarHBondContact O-N 3.35Å
252	E	25.3	Very low	27.6	Very low	184 Å²	184	143 Å²	143	86%	0.86	75%	0.748	S	S	*	*			trans	-51.3	132.4	159.3	-69	177.4	149.9	0	0	107.8	E254	E252-E254 VanDerWaalsContact C-N 3.34Å; E252-E254 PolarHBondContact O-N 3.21Å
253	F	24.5	Very low	27.7	Very low	214 Å²	214	143.9 Å²	143.9	94%	0.939	75%	0.747	S	S	*	*			trans	-63	94.5	176.9	-73.4	-92.5	0	0	0	109.1	T251 A255	T251-F253 PolarHBondContact O-N 3.35Å; F253-A255 PolarHBondContact O-N 3.46Å
254	E	21.3	Very low	27.6	Very low	189 Å²	189	143 Å²	143	88%	0.883	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-66.6	116.9	165.5	-85.1	-172.6	153.4	0	0	108.6	E252	E252-E254 VanDerWaalsContact C-N 3.34Å; E252-E254 PolarHBondContact O-N 3.21Å
255	A	24.6	Very low	27.6	Very low	84 Å²	84	144.8 Å²	144.8	69%	0.694	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.9	147.9	169.9	0	0	0	0	0	110.1	F253 N257	F253-A255 PolarHBondContact O-N 3.46Å; A255-N257 PolarHBondContact O-N 2.83Å
256	P	25.7	Very low	27.5	Very low	95 Å²	95	144 Å²	144	62%	0.617	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-58	133.1	-171.6	-18.9	29.1	0	0	0	112.3	F258	P256-F258 HydrophobicContact CB-CD2 4.28Å; P256-F258 HydrophobicContact CB-CE2 3.82Å; P256-F258 HydrophobicContact CB-CZ 4.17Å; P256-F258 HydrophobicContact CG-CE2 4.12Å; P256-F258 HydrophobicContact CG-CZ 4.41Å; P256-F258 WeakPolarHBondContact O-CD2 3.4Å; P256-F258 PolarHBondContact O-N 2.96Å; P256-F258 VanDerWaalsContact O-N 3.13Å
257	N	23.1	Very low	27.2	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	74%	0.742	S	S	*	*			trans	-71.8	100.8	178	-163.7	-5	0	0	0	109.9	A255 E259	A255-N257 PolarHBondContact O-N 2.83Å; N257-E259 PolarHBondContact O-N 2.82Å
258	F	34.5	Very low	27.2	Very low	139 Å²	139	141.6 Å²	141.6	61%	0.61	74%	0.743	S	S	*	*			trans	-88.5	51.7	-171.9	-79.4	-80.3	0	0	0	114	P256 L260	P256-F258 HydrophobicContact CB-CD2 4.28Å; P256-F258 HydrophobicContact CB-CE2 3.82Å; P256-F258 HydrophobicContact CB-CZ 4.17Å; P256-F258 HydrophobicContact CG-CE2 4.12Å; P256-F258 HydrophobicContact CG-CZ 4.41Å; P256-F258 WeakPolarHBondContact O-CD2 3.4Å; P256-F258 PolarHBondContact O-N 2.96Å; P256-F258 VanDerWaalsContact O-N 3.13Å; F258-L260 PolarHBondContact O-N 3.27Å
259	E	28.5	Very low	27.1	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	76%	0.755	S	S	*	*			trans	-73.7	2.9	160.3	-79.3	-169.9	158.8	0	0	112.8	N257 I261	N257-E259 PolarHBondContact O-N 2.82Å; E259-I261 PolarHBondContact O-N 3.34Å
260	L	30.4	Very low	26.9	Very low	107 Å²	107	149.7 Å²	149.7	56%	0.56	76%	0.764	S	S	*	*			trans	-90.5	25.5	179.4	-87.3	146.9	0	0	0	114.9	F258 D262 E263	F258-L260 PolarHBondContact O-N 3.27Å; L260-D262 PolarHBondContact O-N 3.26Å; L260-E263 HydrophobicContact CD2-CG 4.12Å; L260-E263 PolarHBondContact O-N 2.95Å
261	I	30.2	Very low	26.9	Very low	105 Å²	105	147.2 Å²	147.2	54%	0.538	76%	0.759	S	S	.	*	G	3₁₀ helix	trans	-56.7	-23.2	178.1	-70.3	174.9	0	0	0	112.8	E259 E263 L264	E259-I261 PolarHBondContact O-N 3.34Å; I261-E263 VanDerWaalsContact C-N 3.27Å; I261-E263 PolarHBondContact O-N 3.22Å; I261-L264 PolarHBondContact O-N 3.43Å
262	D	30.7	Very low	26.9	Very low	127 Å²	127	147.2 Å²	147.2	68%	0.679	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-67.9	-19	-179.8	-81.3	-28.5	0	0	0	114.6	L260	L260-D262 PolarHBondContact O-N 3.26Å
263	E	27.6	Very low	26.8	Very low	159 Å²	159	141.4 Å²	141.4	74%	0.743	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-84.4	-9.9	-178.7	-70.2	-166.4	162.8	0	0	114.6	L260 I261 R265	L260-E263 HydrophobicContact CD2-CG 4.12Å; L260-E263 PolarHBondContact O-N 2.95Å; I261-E263 VanDerWaalsContact C-N 3.27Å; I261-E263 PolarHBondContact O-N 3.22Å; E263-R265 VanDerWaalsContact C-N 3.28Å; E263-R265 PolarHBondContact O-N 3.33Å
264	L	25.2	Very low	26.8	Very low	135 Å²	135	139 Å²	139	71%	0.707	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-88	17.4	-178.1	-71.8	170	0	0	0	114.3	I261 L266	I261-L264 PolarHBondContact O-N 3.43Å; L264-L266 PolarHBondContact O-N 3Å; L264-L266 VanDerWaalsContact O-N 3.13Å
265	R	24.3	Very low	27.1	Very low	199 Å²	199	136.4 Å²	136.4	75%	0.751	75%	0.747	S	S	*	*			trans	-70.1	106.9	171.9	-72.5	-176.5	179.7	-179.5	2.2	110	E263	E263-R265 VanDerWaalsContact C-N 3.28Å; E263-R265 PolarHBondContact O-N 3.33Å
266	L	28	Very low	27.1	Very low	158 Å²	158	140.9 Å²	140.9	83%	0.827	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-58.4	134.1	173	-78.4	163.5	0	0	0	110.7	L264	L264-L266 PolarHBondContact O-N 3Å; L264-L266 VanDerWaalsContact O-N 3.13Å
267	P	25.9	Very low	27.1	Very low	121 Å²	121	141.2 Å²	141.2	79%	0.786	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-63.7	139.2	176	-18.1	29.7	0	0	0	112.3	E269	P267-E269 PolarHBondContact O-N 3.24Å
268	N	28.9	Very low	27.1	Very low	158 Å²	158	141.3 Å²	141.3	85%	0.845	76%	0.758	S	S	*	*	S	Bend	trans	-56.9	128.8	-179.3	-72.6	-26	0	0	0	113.4
269	E	26.3	Very low	26.4	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	77%	0.767	S	S	*	*			trans	58.6	101.2	152	-64.2	-174.5	163	0	0	119.1	P267	P267-E269 PolarHBondContact O-N 3.24Å
270	I	26	Very low	26.2	Very low	172 Å²	172	142.1 Å²	142.1	88%	0.882	77%	0.765	S	S	*	*			trans	-84.7	124.7	149.9	-67.5	169.8	0	0	0	107.8
271	S	27.8	Very low	25.8	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	77%	0.77	S	S	*	*			trans	-63.6	138.2	171.8	42.1	0	0	0	0	112.2	G273	S271-G273 PolarHBondContact O-N 3.18Å
272	S	25.9	Very low	25.6	Very low	128 Å²	128	141.9 Å²	141.9	90%	0.895	78%	0.777	S	S	*	*			trans	-36.4	112.3	174	53.7	0	0	0	0	114.7
273	G	24.6	Very low	25.3	Very low	61 Å²	61	141.6 Å²	141.6	63%	0.629	78%	0.78	S	S	*	*			trans	-131.5	124.5	162.4	0	0	0	0	0	108.7	S271 V275	S271-G273 PolarHBondContact O-N 3.18Å; G273-V275 PolarHBondContact O-N 3.44Å; G273-V275 VanDerWaalsContact O-N 3.12Å
274	D	23.5	Very low	25.2	Very low	165 Å²	165	141 Å²	141	88%	0.882	78%	0.782	S	S	*	*			trans	-49.6	108.8	-174.9	-68.4	-52.5	0	0	0	112.9
275	V	26.9	Very low	25.5	Very low	134 Å²	134	144.8 Å²	144.8	81%	0.812	79%	0.793	S	S	*	*			trans	-99.2	110.8	162.7	-179.6	0	0	0	0	106.6	G273 S277	G273-V275 PolarHBondContact O-N 3.44Å; G273-V275 VanDerWaalsContact O-N 3.12Å; V275-S277 PolarHBondContact O-N 3.28Å
276	H	24.6	Very low	25.5	Very low	178 Å²	178	144.1 Å²	144.1	82%	0.824	80%	0.795	S	S	*	*			trans	-50.4	107.6	174.2	-78.5	-80.7	0	0	0	110.4
277	S	25.8	Very low	25.6	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	80%	0.801	S	S	*	*			trans	-79.8	119	166.8	47.4	0	0	0	0	108.8	V275 L279	V275-S277 PolarHBondContact O-N 3.28Å; S277-L279 PolarHBondContact O-N 2.83Å
278	D	23.3	Very low	25.5	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	79%	0.794	S	S	*	*			trans	-62.2	106.6	169.1	-78.5	-35.6	0	0	0	109.2	F280	D278-F280 PolarHBondContact O-N 3.17Å
279	L	21.3	Very low	25.7	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	79%	0.788	S	S	*	*			trans	-73.9	85.1	-175.8	-161.5	89.8	0	0	0	109.8	S277 S281	S277-L279 PolarHBondContact O-N 2.83Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.19Å
280	F	24	Very low	25.8	Very low	184 Å²	184	136.9 Å²	136.9	81%	0.807	77%	0.774	S	S	*	*			trans	-73	88.8	168.2	-83.8	-83	0	0	0	110.3	D278 V282	D278-F280 PolarHBondContact O-N 3.17Å; F280-V282 PolarHBondContact O-N 3.02Å
281	S	21.6	Very low	26.1	Very low	94 Å²	94	131.4 Å²	131.4	66%	0.657	75%	0.746	S	S	*	*			trans	-79.2	101.3	165.1	63.8	0	0	0	0	109.4	L279 T283	L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.19Å; S281-T283 PolarHBondContact O-N 3.18Å
282	V	24.9	Very low	26.1	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.685	74%	0.738	S	S	*	*			trans	-96.7	90.7	170.9	-178.7	0	0	0	0	108.5	F280 N284	F280-V282 PolarHBondContact O-N 3.02Å; V282-N284 PolarHBondContact O-N 3.43Å
283	T	25.7	Very low	26.2	Very low	121 Å²	121	129.8 Å²	129.8	74%	0.742	73%	0.73	S	S	*	*			trans	-77.4	89.4	161.9	50.5	0	0	0	0	108.5	S281	S281-T283 PolarHBondContact O-N 3.18Å
284	N	24.5	Very low	26.4	Very low	148 Å²	148	130.5 Å²	130.5	79%	0.791	72%	0.719	S	S	*	*	S	Bend	trans	-172.4	139.8	142.8	-102.3	-34.8	0	0	0	113.5	V282 K286	V282-N284 PolarHBondContact O-N 3.43Å; N284-K286 VanDerWaalsContact C-N 3.31Å; N284-K286 PolarHBondContact O-N 3.05Å
285	K	31.7	Very low	26.7	Very low	214 Å²	214	128.6 Å²	128.6	93%	0.93	71%	0.707	S	S	*	*			trans	-61.7	69.4	-173	-66	174.1	171.3	175.3	0	114.7
286	K	25.6	Very low	27	Very low	184 Å²	184	124 Å²	124	80%	0.8	68%	0.678	S	S	*	*			trans	-118.9	111.6	156.7	-79	-174	176.2	-179	0	108.7	N284 S288	N284-K286 VanDerWaalsContact C-N 3.31Å; N284-K286 PolarHBondContact O-N 3.05Å; K286-S288 PolarHBondContact O-N 3.3Å
287	S	29.9	Very low	27.4	Very low	137 Å²	137	120.2 Å²	120.2	96%	0.958	67%	0.668	S	S	*	*	S	Bend	trans	-73	33.2	-174	50.6	0	0	0	0	114.3
288	S	24	Very low	27.8	Very low	91 Å²	91	121.6 Å²	121.6	64%	0.636	67%	0.667	S	S	*	*			trans	-151.4	108.1	173.7	58.6	0	0	0	0	107.4	K286 D290	K286-S288 PolarHBondContact O-N 3.3Å; S288-D290 PolarHBondContact O-N 2.62Å; S288-D290 VanDerWaalsContact O-N 3.15Å
289	L	31.5	Very low	28.3	Very low	135 Å²	135	120.9 Å²	120.9	71%	0.707	66%	0.655	S	S	*	*			trans	-77.6	97.8	170.6	-167.2	77.5	0	0	0	106.5	L291	L289-L291 HydrophobicContact CD2-CD1 4.22Å; L289-L291 HydrophobicContact CD2-CD2 3.51Å; L289-L291 HydrophobicContact CD2-CG 3.84Å; L289-L291 HydrophobicContact CG-CD2 3.95Å; L289-L291 HydrophobicContact CG-CG 4.08Å; L289-L291 PolarHBondContact O-N 2.9Å
290	D	28.3	Very low	29	Very low	113 Å²	113	118.8 Å²	118.8	60%	0.604	65%	0.648	S	S	*	*			trans	-75.3	93.2	173.9	-171.4	3	0	0	0	108.4	S288 S292	S288-D290 PolarHBondContact O-N 2.62Å; S288-D290 VanDerWaalsContact O-N 3.15Å; D290-S292 PolarHBondContact O-N 3.04Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 2.67Å; D290-S292 VanDerWaalsContact OD1-N 3.13Å; D290-S292 PolarHBondContact OD1-OG 3.21Å; D290-S292 PolarHBondContact OD2-OG 3.01Å
291	L	32.6	Very low	29.4	Very low	58 Å²	58	114.7 Å²	114.7	30%	0.304	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-77.3	6.5	177.4	-68.1	170.7	0	0	0	112.3	L289 T293 L294	L289-L291 HydrophobicContact CD2-CD1 4.22Å; L289-L291 HydrophobicContact CD2-CD2 3.51Å; L289-L291 HydrophobicContact CD2-CG 3.84Å; L289-L291 HydrophobicContact CG-CD2 3.95Å; L289-L291 HydrophobicContact CG-CG 4.08Å; L289-L291 PolarHBondContact O-N 2.9Å; L291-T293 PolarHBondContact O-N 3.45Å; L291-T293 VanDerWaalsContact O-N 3.12Å; L291-L294 HydrophobicContact CD2-CD1 3.35Å; L291-L294 WeakPolarHBondContact O-CB 3.48Å; L291-L294 PolarHBondContact O-N 3.33Å
292	S	28.6	Very low	30.4	Very low	81 Å²	81	113 Å²	113	57%	0.566	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-59.6	-21.2	177.3	62	0	0	0	0	113.5	D290	D290-S292 PolarHBondContact O-N 3.04Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 2.67Å; D290-S292 VanDerWaalsContact OD1-N 3.13Å; D290-S292 PolarHBondContact OD1-OG 3.21Å; D290-S292 PolarHBondContact OD2-OG 3.01Å
293	T	26.7	Very low	30.8	Very low	118 Å²	118	114.5 Å²	114.5	72%	0.724	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-83.4	-10.2	175.7	60.4	0	0	0	0	113.8	L291 I295	L291-T293 PolarHBondContact O-N 3.45Å; L291-T293 VanDerWaalsContact O-N 3.12Å; T293-I295 PolarHBondContact O-N 3.29Å
294	L	30.4	Very low	31.4	Very low	76 Å²	76	113.5 Å²	113.5	40%	0.398	59%	0.591	S	S	.	*			trans	-84.4	101.8	179.6	-107.2	147.9	0	0	0	109.5	L291 L296 Y299	L291-L294 HydrophobicContact CD2-CD1 3.35Å; L291-L294 WeakPolarHBondContact O-CB 3.48Å; L291-L294 PolarHBondContact O-N 3.33Å; L294-L296 PolarHBondContact O-N 3.4Å; L294-Y299 HydrophobicContact CD2-CE2 4.22Å
295	I	28.8	Very low	31.6	Very low	124 Å²	124	114.4 Å²	114.4	64%	0.636	59%	0.585	S	S	*	*			trans	-69	94.8	171.6	-57	172.1	0	0	0	107.3	T293 T297	T293-I295 PolarHBondContact O-N 3.29Å; I295-T297 HydrophobicContact CG2-CG2 3.89Å; I295-T297 PolarHBondContact O-N 2.84Å
296	L	32.9	Very low	31.6	Very low	39 Å²	39	107.2 Å²	107.2	20%	0.204	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	27.5	-174	-73.9	160.6	0	0	0	114	L294 N298 F302 V320 K392	L294-L296 PolarHBondContact O-N 3.4Å; L296-N298 VanDerWaalsContact C-N 3.33Å; L296-F302 HydrophobicContact CD2-CE1 3.89Å; L296-F302 HydrophobicContact CD2-CE2 4.3Å; L296-F302 HydrophobicContact CD2-CZ 3.36Å; L296-V320 HydrophobicContact CD1-CB 4.24Å; L296-V320 WeakPolarHBondContact CD1-O 3.26Å; L296-K392 PolarHBondContact O-NZ 2.99Å
297	T	33.4	Very low	32.2	Very low	97 Å²	97	103.5 Å²	103.5	60%	0.595	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-25.6	177.2	53.6	0	0	0	0	112.6	I295	I295-T297 HydrophobicContact CG2-CG2 3.89Å; I295-T297 PolarHBondContact O-N 2.84Å
298	N	35	Very low	32.2	Very low	130 Å²	130	102.8 Å²	102.8	70%	0.695	54%	0.544	S	S	*	.	S	Bend	trans	-113.3	8.4	-162.4	-66.3	5.9	0	0	0	116.2	L296	L296-N298 VanDerWaalsContact C-N 3.33Å
299	Y	33.6	Very low	32.9	Very low	131 Å²	131	106.7 Å²	106.7	51%	0.514	56%	0.558	S	S	.	*			trans	-129.4	129	-174.2	-57.3	-76.1	0	0	0	112	L294 F302	L294-Y299 HydrophobicContact CD2-CE2 4.22Å; Y299-F302 VanDerWaalsContact CB-CZ 3.43Å; Y299-F302 HydrophobicContact CG-CZ 4.36Å
300	T	35.6	Very low	33.1	Very low	107 Å²	107	104.7 Å²	104.7	66%	0.656	56%	0.561	S	S	*	*	S	Bend	trans	-107.6	-17.9	-176.6	49.1	0	0	0	0	113.9	T395	T300-T395 PolarHBondContact O-N 3.32Å
301	E	32.8	Very low	33	Very low	98 Å²	98	104 Å²	104	46%	0.458	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.2	131.5	-175.9	-167.2	-175.9	169.4	0	0	110.5	R303	E301-R303 IonicContact OE1-CZ 3.92Å; E301-R303 VanDerWaalsContact OE1-CZ 3.26Å; E301-R303 IonicContact OE1-NE 2.69Å; E301-R303 PolarHBondContact OE1-NE 3.25Å; E301-R303 IonicContact OE1-NH2 2.99Å; E301-R303 PolarHBondContact OE1-NH2 3.45Å; E301-R303 IonicContact OE2-NH2 3.01Å
302	F	42.1	Very low	32.8	Very low	57 Å²	57	107.9 Å²	107.9	25%	0.25	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.1	126.5	179.3	-65.2	-88.7	0	0	0	111.9	L296 Y299 F304 V394 T395 T397	L296-F302 HydrophobicContact CD2-CE1 3.89Å; L296-F302 HydrophobicContact CD2-CE2 4.3Å; L296-F302 HydrophobicContact CD2-CZ 3.36Å; Y299-F302 VanDerWaalsContact CB-CZ 3.43Å; Y299-F302 HydrophobicContact CG-CZ 4.36Å; F302-F304 HydrophobicContact CB-CE2 4.06Å; F302-F304 HydrophobicContact CB-CZ 4.33Å; F302-V394 HydrophobicContact CD2-CG1 4.44Å; F302-T395 PolarHBondContact N-O 2.96Å; F302-T397 PolarHBondContact O-OG1 3.47Å
303	R	33.3	Very low	33	Very low	145 Å²	145	107.8 Å²	107.8	55%	0.547	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	118.8	176.4	-61.7	-176.7	-175	169.4	2.5	109.7	E301 Y305	E301-R303 IonicContact OE1-CZ 3.92Å; E301-R303 VanDerWaalsContact OE1-CZ 3.26Å; E301-R303 IonicContact OE1-NE 2.69Å; E301-R303 PolarHBondContact OE1-NE 3.25Å; E301-R303 IonicContact OE1-NH2 2.99Å; E301-R303 PolarHBondContact OE1-NH2 3.45Å; E301-R303 IonicContact OE2-NH2 3.01Å; R303-Y305 HydrophobicContact CB-CE2 3.7Å
304	F	38	Very low	33	Very low	101 Å²	101	105.8 Å²	105.8	44%	0.443	58%	0.578	S	S	.	*			trans	-99.3	128.7	178.6	-60.6	-86.6	0	0	0	110.3	F302 V317	F302-F304 HydrophobicContact CB-CE2 4.06Å; F302-F304 HydrophobicContact CB-CZ 4.33Å; F304-V317 HydrophobicContact CE2-CG1 4.24Å; F304-V317 HydrophobicContact CE2-CG2 4.12Å; F304-V317 HydrophobicContact CZ-CG1 3.95Å; F304-V317 HydrophobicContact CZ-CG2 4.14Å
305	Y	30.2	Very low	33.3	Very low	167 Å²	167	107.5 Å²	107.5	66%	0.655	58%	0.582	S	S	*	*			trans	-118.6	127.8	174.8	-60.3	-89.2	0	0	0	108.7	R303 M399	R303-Y305 HydrophobicContact CB-CE2 3.7Å; Y305-M399 HydrophobicContact CD1-CE 4.16Å; Y305-M399 HydrophobicContact CE1-CE 3.42Å; Y305-M399 VanDerWaalsContact CE1-CE 3.42Å
306	S	31.2	Very low	33.4	Very low	62 Å²	62	106.5 Å²	106.5	43%	0.434	57%	0.574	S	S	.	*			trans	-97.8	127.7	175	-166.1	0	0	0	0	109.8	K315	S306-K315 PolarHBondContact OG-NZ 2.77Å
307	S	37.8	Very low	33.8	Very low	106 Å²	106	105.7 Å²	105.7	74%	0.741	57%	0.571	S	S	*	*			trans	-85.3	-10.1	-172	56.7	0	0	0	0	115.6
308	D	30.4	Very low	33.9	Very low	123 Å²	123	104.5 Å²	104.5	66%	0.658	56%	0.56	S	S	*	*			trans	-120.6	124.2	-174.3	-71.5	-27.9	0	0	0	113.5	A310	D308-A310 VanDerWaalsContact C-N 3.33Å; D308-A310 PolarHBondContact O-N 2.88Å
309	N	37.9	Very low	34.3	Very low	173 Å²	173	99.4 Å²	99.4	93%	0.925	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	6	-169.2	-82.8	-19.9	0	0	0	116.7
310	A	35	Very low	34.6	Very low	93 Å²	93	94.6 Å²	94.6	77%	0.769	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-4.6	-163	0	0	0	0	0	116.8	D308	D308-A310 VanDerWaalsContact C-N 3.33Å; D308-A310 PolarHBondContact O-N 2.88Å
311	T	27.7	Very low	34.9	Very low	98 Å²	98	90.5 Å²	90.5	60%	0.601	49%	0.493	S	S	*	.			trans	-145.5	123.3	174	47.8	0	0	0	0	108.3	V313	T311-V313 WeakPolarHBondContact O-CG2 3.29Å; T311-V313 PolarHBondContact O-N 3.18Å; T311-V313 WeakPolarHBondContact OG1-CG2 3.46Å
312	C	28.5	Very low	35.2	Very low	140 Å²	140	92.2 Å²	92.2	95%	0.946	50%	0.5	S	S	*	.			trans	-58.4	86.2	160.8	-71.6	0	0	0	0	107.3	S314	C312-S314 PolarHBondContact O-N 3.35Å; C312-S314 VanDerWaalsContact O-N 3.16Å
313	V	31	Very low	35.2	Very low	78 Å²	78	90.3 Å²	90.3	47%	0.473	49%	0.493	S	S	.	.			trans	-76.2	108.2	174.1	-170.8	0	0	0	0	104.9	T311 K315	T311-V313 WeakPolarHBondContact O-CG2 3.29Å; T311-V313 PolarHBondContact O-N 3.18Å; T311-V313 WeakPolarHBondContact OG1-CG2 3.46Å; V313-K315 HydrophobicContact CB-CG 3.85Å; V313-K315 HydrophobicContact CG1-CD 4.43Å; V313-K315 HydrophobicContact CG1-CG 3.47Å; V313-K315 VanDerWaalsContact CG1-CG 3.47Å; V313-K315 PolarHBondContact O-N 2.64Å
314	S	28.5	Very low	35.3	Very low	76 Å²	76	88 Å²	88	53%	0.531	50%	0.497	S	S	.	.			trans	-57	82.8	158.2	53.5	0	0	0	0	107.3	C312 E316 N374	C312-S314 PolarHBondContact O-N 3.35Å; C312-S314 VanDerWaalsContact O-N 3.16Å; S314-E316 PolarHBondContact O-N 3.39Å; S314-N374 WeakPolarHBondContact CB-OD1 3.14Å
315	K	35.3	Very low	35	Very low	113 Å²	113	90.8 Å²	90.8	49%	0.491	51%	0.505	S	S	.	.			trans	-78.9	123.5	-179.8	-76.4	-178.1	173.7	169.2	0	107.9	S306 V313	S306-K315 PolarHBondContact OG-NZ 2.77Å; V313-K315 HydrophobicContact CB-CG 3.85Å; V313-K315 HydrophobicContact CG1-CD 4.43Å; V313-K315 HydrophobicContact CG1-CG 3.47Å; V313-K315 VanDerWaalsContact CG1-CG 3.47Å; V313-K315 PolarHBondContact O-N 2.64Å
316	E	30.2	Very low	35.3	Very low	102 Å²	102	88.8 Å²	88.8	48%	0.477	51%	0.51	S	S	.	.			trans	-67	130.4	172.3	-56.9	179.5	151.9	0	0	108.9	S314 K371 E373	S314-E316 PolarHBondContact O-N 3.39Å; E316-K371 WeakPolarHBondContact OE1-CE 3.44Å; E316-K371 IonicContact OE1-NZ 2.76Å; E316-K371 PolarHBondContact OE1-NZ 3.09Å; E316-K371 WeakPolarHBondContact OE2-CE 3.48Å; E316-K371 IonicContact OE2-NZ 3.81Å; E316-K371 PolarHBondContact OE2-NZ 3.44Å; E316-E373 HydrophobicContact CG-CG 4.11Å
317	V	43.3	Very low	35.9	Very low	22 Å²	22	88.4 Å²	88.4	13%	0.133	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.2	170.1	176.7	0	0	0	0	107.7	F304 L372 L375	F304-V317 HydrophobicContact CE2-CG1 4.24Å; F304-V317 HydrophobicContact CE2-CG2 4.12Å; F304-V317 HydrophobicContact CZ-CG1 3.95Å; F304-V317 HydrophobicContact CZ-CG2 4.14Å; V317-L372 PolarHBondContact N-O 2.97Å; V317-L372 PolarHBondContact O-N 3.37Å; V317-L375 HydrophobicContact CB-CD1 3.71Å; V317-L375 HydrophobicContact CG2-CD1 3.6Å
318	I	35.5	Very low	36.1	Very low	72 Å²	72	87.4 Å²	87.4	37%	0.369	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	108.5	177.6	-58.7	-179.2	0	0	0	108	V320 T369 K371	I318-V320 HydrophobicContact CG2-CG2 4.02Å; I318-T369 HydrophobicContact CG2-CG2 3.15Å; I318-K371 HydrophobicContact CG1-CG 4.24Å
319	L	42.7	Very low	37	Very low	24 Å²	24	83.9 Å²	83.9	13%	0.126	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.8	174.7	-116.8	151.3	0	0	0	108.7	C321 T369 L370 L372 V394 I396	L319-C321 PolarHBondContact O-N 2.85Å; L319-T369 CarbonylContact O-C 3.58Å; L319-L370 HydrophobicContact CB-CB 4.14Å; L319-L370 WeakPolarHBondContact CB-O 3.39Å; L319-L370 PolarHBondContact N-O 3Å; L319-L370 PolarHBondContact O-N 3.21Å; L319-L372 HydrophobicContact CD1-CD1 3.95Å; L319-V394 HydrophobicContact CD1-CG1 4.43Å; L319-V394 HydrophobicContact CD2-CG1 4.18Å; L319-V394 HydrophobicContact CD2-CG2 4.25Å; L319-I396 HydrophobicContact CD1-CD1 3.65Å
320	V	38.9	Very low	37.6	Very low	30 Å²	30	76.9 Å²	76.9	18%	0.182	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.6	174.3	-174.5	0	0	0	0	108.3	L296 I318 T369	L296-V320 HydrophobicContact CD1-CB 4.24Å; L296-V320 WeakPolarHBondContact CD1-O 3.26Å; I318-V320 HydrophobicContact CG2-CG2 4.02Å; V320-T369 HydrophobicContact CG2-CG2 3.99Å
321	C	42.5	Very low	38.6	Very low	21 Å²	21	74.1 Å²	74.1	14%	0.142	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.4	172.3	-150.8	0	0	0	0	108.4	L319 V323 I368	L319-C321 PolarHBondContact O-N 2.85Å; C321-V323 HydrophobicContact CB-CG2 4.26Å; C321-V323 PolarHBondContact O-N 2.64Å; C321-V323 VanDerWaalsContact O-N 3.08Å; C321-I368 PolarHBondContact N-O 2.9Å; C321-I368 PolarHBondContact O-N 3.09Å; C321-I368 VanDerWaalsContact O-N 3.13Å
322	H	39.6	Very low	40	Very low	133 Å²	133	70 Å²	70	62%	0.616	38%	0.384	S	S	*	.			trans	-72.9	100	167.4	-82	-52.9	0	0	0	108.5	S367	H322-S367 VanDerWaalsContact CE1-CB 3.46Å; H322-S367 WeakPolarHBondContact CE1-CB 3.46Å; H322-S367 WeakPolarHBondContact ND1-CB 3.05Å
323	V	42.2	Very low	41.4	Very low	17 Å²	17	67 Å²	67	10%	0.103	35%	0.353	C	S	.	.			trans	-98.9	124.4	172.3	-165.9	0	0	0	0	107.3	C321 R325 I327 L330 N387	C321-V323 HydrophobicContact CB-CG2 4.26Å; C321-V323 PolarHBondContact O-N 2.64Å; C321-V323 VanDerWaalsContact O-N 3.08Å; V323-R325 PolarHBondContact O-N 3.42Å; V323-I327 HydrophobicContact CB-CD1 3.48Å; V323-I327 VanDerWaalsContact CB-CD1 3.48Å; V323-I327 HydrophobicContact CB-CG1 4.46Å; V323-I327 HydrophobicContact CG1-CD1 3.24Å; V323-I327 HydrophobicContact CG1-CG1 3.71Å; V323-I327 HydrophobicContact CG2-CD1 4.47Å; V323-L330 HydrophobicContact CG2-CD1 4.45Å; V323-N387 WeakPolarHBondContact CG1-ND2 3.17Å
324	P	35.5	Very low	42.9	Very low	97 Å²	97	65 Å²	65	63%	0.63	34%	0.337	S	S	*	.			trans	-57.7	123.4	179.6	-21.1	30.9	0	0	0	110.7
325	R	31.7	Very low	44.3	Very low	159 Å²	159	64.1 Å²	64.1	60%	0.6	33%	0.326	S	S	*	.	S	Bend	trans	4.6	135.3	174.4	-72.2	179.7	174	163.6	0.6	120.1	V323	V323-R325 PolarHBondContact O-N 3.42Å
326	T	36.7	Very low	45.3	Very low	125 Å²	125	59.6 Å²	59.6	77%	0.767	31%	0.311	S	S	*	.			trans	45.4	82.6	167.6	57.7	0	0	0	0	115
327	I	42.2	Very low	46.5	Very low	54 Å²	54	59.5 Å²	59.5	28%	0.277	31%	0.311	S	S	.	.			trans	-102.8	131.7	-174.8	-54.9	123.4	0	0	0	109.3	V323 Q329 I368 N387	V323-I327 HydrophobicContact CB-CD1 3.48Å; V323-I327 VanDerWaalsContact CB-CD1 3.48Å; V323-I327 HydrophobicContact CB-CG1 4.46Å; V323-I327 HydrophobicContact CG1-CD1 3.24Å; V323-I327 HydrophobicContact CG1-CG1 3.71Å; V323-I327 HydrophobicContact CG2-CD1 4.47Å; I327-Q329 VanDerWaalsContact CG2-O 3.24Å; I327-Q329 WeakPolarHBondContact CG2-O 3.46Å; I327-I368 HydrophobicContact CD1-CD1 4.21Å; I327-N387 HydrophobicContact CG2-CB 3.79Å
328	S	43	Very low	46.6	Very low	85 Å²	85	67 Å²	67	59%	0.594	34%	0.338	S	S	*	.	S	Bend	trans	-74.5	-39.3	176.3	26.4	0	0	0	0	113.1	D388	S328-D388 PolarHBondContact OG-OD2 3.4Å
329	Q	48.5	Very low	46.7	Very low	50 Å²	50	72 Å²	72	23%	0.234	37%	0.365	C	S	.	.			trans	-139.8	125.7	-174.7	-73.1	168.4	68.1	0	0	111.6	I327 S348 K349 N387	I327-Q329 VanDerWaalsContact CG2-O 3.24Å; I327-Q329 WeakPolarHBondContact CG2-O 3.46Å; Q329-S348 WeakPolarHBondContact CA-OG 3.13Å; Q329-K349 HydrophobicContact CG-CD 4.27Å; Q329-K349 HydrophobicContact CG-CG 4.35Å; Q329-K349 VanDerWaalsContact NE2-CE 3.27Å; Q329-N387 WeakPolarHBondContact O-CA 3.46Å; Q329-N387 WeakPolarHBondContact O-CB 3.44Å
330	L	51.2	Low	46.5	Very low	26 Å²	26	78.2 Å²	78.2	14%	0.136	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.3	171.5	-175.5	82.3	0	0	0	109.2	V323 V332 S348 I368 K386 N387	V323-L330 HydrophobicContact CG2-CD1 4.45Å; L330-V332 HydrophobicContact CD2-CG2 4.43Å; L330-S348 PolarHBondContact N-OG 2.96Å; L330-S348 PolarHBondContact O-N 3.08Å; L330-I368 HydrophobicContact CD2-CD1 3.83Å; L330-I368 HydrophobicContact CD2-CG2 4.06Å; L330-K386 WeakPolarHBondContact CD1-O 3.45Å; L330-N387 HydrophobicContact CD1-CB 4.32Å
331	E	55.8	Low	46.7	Very low	35 Å²	35	85 Å²	85	16%	0.164	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.8	174.8	-67.7	175.7	-177	0	0	109.9	W333 L344 K346 K386	E331-W333 PolarHBondContact OE2-NE1 2.92Å; E331-L344 HydrophobicContact CB-CD1 3.81Å; E331-L344 HydrophobicContact CG-CD1 4.09Å; E331-K346 WeakPolarHBondContact CA-O 3.48Å; E331-K386 HydrophobicContact CB-CB 4.41Å; E331-K386 PolarHBondContact N-O 2.97Å; E331-K386 PolarHBondContact O-N 2.85Å; E331-K386 IonicContact OE1-NZ 3.7Å; E331-K386 IonicContact OE2-NZ 3.54Å; E331-K386 PolarHBondContact OE2-NZ 3.47Å
332	V	57.2	Low	47.2	Very low	12 Å²	12	86.6 Å²	86.6	7%	0.073	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.3	172	-176.7	0	0	0	0	108.7	L330 L345 K346 L370 I384	L330-V332 HydrophobicContact CD2-CG2 4.43Å; V332-L345 HydrophobicContact CB-CB 4.49Å; V332-L345 HydrophobicContact CG1-CB 4.5Å; V332-L345 HydrophobicContact CG1-CD1 4.29Å; V332-L345 WeakPolarHBondContact O-CA 3.41Å; V332-L345 WeakPolarHBondContact O-CB 3.22Å; V332-L345 PolarHBondContact O-N 2.84Å; V332-K346 PolarHBondContact N-O 2.85Å; V332-K346 VanDerWaalsContact N-O 3.14Å; V332-L370 HydrophobicContact CG1-CD1 4.49Å; V332-L370 HydrophobicContact CG2-CD1 3.66Å; V332-L370 HydrophobicContact CG2-CD2 4.2Å; V332-I384 CarbonylContact C-O 3.57Å; V332-I384 WeakPolarHBondContact CA-O 3.48Å
333	W	59	Low	48	Very low	76 Å²	76	88.1 Å²	88.1	29%	0.288	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.1	-178.3	-68.4	80.7	0	0	0	111	E331 P342 L344 Y383 I384	E331-W333 PolarHBondContact OE2-NE1 2.92Å; W333-P342 HydrophobicContact CE3-CB 3.84Å; W333-P342 HydrophobicContact CZ3-CB 4.01Å; W333-L344 HydrophobicContact CD2-CB 4.3Å; W333-L344 HydrophobicContact CD2-CD1 4.05Å; W333-L344 HydrophobicContact CE3-CB 4.22Å; W333-L344 HydrophobicContact CG-CD1 4.25Å; W333-L344 HydrophobicContact CH2-CB 4.2Å; W333-L344 HydrophobicContact CZ2-CB 4.27Å; W333-L344 HydrophobicContact CZ2-CD1 4.02Å; W333-L344 HydrophobicContact CZ3-CB 4.17Å; W333-Y383 CarbonylContact O-C 3.59Å; W333-Y383 WeakPolarHBondContact O-CA 3.29Å; W333-I384 HydrophobicContact CB-CB 4.32Å; W333-I384 PolarHBondContact N-O 3.34Å; W333-I384 PolarHBondContact O-N 2.88Å
334	Y	61.5	Low	48.5	Very low	37 Å²	37	90.8 Å²	90.8	15%	0.145	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120	168.2	172.6	-113.4	0	0	0	109.5	R343 R378 S380 Y383	Y334-R343 PolarHBondContact N-O 3.09Å; Y334-R343 PolarHBondContact O-N 3.47Å; Y334-R378 PolarHBondContact OH-O 3.39Å; Y334-S380 PolarHBondContact OH-O 3.16Å; Y334-S380 VanDerWaalsContact OH-O 3.06Å; Y334-Y383 HydrophobicContact CD2-CD1 4.13Å; Y334-Y383 HydrophobicContact CD2-CD2 4.09Å; Y334-Y383 AromaticContact CD2-CE1 3.72Å; Y334-Y383 HydrophobicContact CD2-CE1 3.72Å; Y334-Y383 AromaticContact CD2-CE2 3.65Å; Y334-Y383 HydrophobicContact CD2-CE2 3.65Å; Y334-Y383 HydrophobicContact CD2-CG 4.32Å; Y334-Y383 AromaticContact CD2-CZ 3.45Å; Y334-Y383 VanDerWaalsContact CD2-CZ 3.45Å; Y334-Y383 HydrophobicContact CE2-CE1 4.47Å; Y334-Y383 AromaticContact CE2-CE2 3.79Å; Y334-Y383 HydrophobicContact CE2-CE2 3.79Å; Y334-Y383 AromaticContact CE2-CZ 3.77Å; Y334-Y383 HydrophobicContact CG-CE1 4.3Å
335	L	58.9	Low	49.6	Very low	57 Å²	57	89.5 Å²	89.5	30%	0.298	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-7.4	178.1	-83.7	105.3	0	0	0	113.9	P342 L382 I384	L335-P342 HydrophobicContact CD2-CG 4.1Å; L335-P342 HydrophobicContact CG-CB 4.17Å; L335-P342 HydrophobicContact CG-CG 4.26Å; L335-L382 HydrophobicContact CB-CB 4.47Å; L335-L382 PolarHBondContact N-O 3.13Å; L335-I384 HydrophobicContact CD1-CD1 3.4Å; L335-I384 HydrophobicContact CD1-CG1 3.75Å
336	G	56	Low	50.4	Low	18 Å²	18	86.1 Å²	86.1	19%	0.186	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.2	176.4	179.7	0	0	0	0	0	114.6
337	Q	55.2	Low	51	Low	99 Å²	99	82.1 Å²	82.1	46%	0.463	40%	0.396	S	S	.	.	S	Bend	trans	-98.1	-23.8	-177.9	-155.9	177.2	15	0	0	112.7	S380	Q337-S380 WeakPolarHBondContact CB-O 3.46Å
338	Y	45.4	Very low	51.3	Low	180 Å²	180	82.7 Å²	82.7	71%	0.706	40%	0.404	S	S	*	.	S	Bend	trans	-150.3	118	-172.8	-57.2	-74.2	0	0	0	112	K340	Y338-K340 PolarHBondContact O-N 3.45Å
339	D	37	Very low	50.9	Low	176 Å²	176	85.1 Å²	85.1	94%	0.941	40%	0.404	S	S	*	.	S	Bend	trans	43.5	39	159.9	-72.6	-23.6	0	0	0	118.8
340	K	38.5	Very low	50.1	Low	156 Å²	156	88 Å²	88	68%	0.678	43%	0.425	S	S	*	.			trans	-126.6	138.4	168.7	-69.2	-171.5	-179.4	-179.9	0	111.3	Y338	Y338-K340 PolarHBondContact O-N 3.45Å
341	H	43.7	Very low	49.3	Very low	171 Å²	171	91.8 Å²	91.8	79%	0.792	45%	0.454	S	S	*	.			trans	-50.4	142.9	177.6	-65.6	-66.7	0	0	0	111.7	R343	H341-R343 PolarHBondContact O-N 3.09Å
342	P	51.7	Low	48.1	Very low	56 Å²	56	96.6 Å²	96.6	36%	0.364	48%	0.481	S	S	.	.			trans	-50.8	131.1	175.2	-22.9	31.1	0	0	0	110.9	W333 L335	W333-P342 HydrophobicContact CE3-CB 3.84Å; W333-P342 HydrophobicContact CZ3-CB 4.01Å; L335-P342 HydrophobicContact CD2-CG 4.1Å; L335-P342 HydrophobicContact CG-CB 4.17Å; L335-P342 HydrophobicContact CG-CG 4.26Å
343	R	56.8	Low	46.7	Very low	164 Å²	164	101.1 Å²	101.1	62%	0.619	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.8	175.5	-68.6	-174	178.6	-166.4	-4.5	110.2	Y334 H341 L345	Y334-R343 PolarHBondContact N-O 3.09Å; Y334-R343 PolarHBondContact O-N 3.47Å; H341-R343 PolarHBondContact O-N 3.09Å; R343-L345 PolarHBondContact O-N 3.45Å
344	L	53.4	Low	45.1	Very low	74 Å²	74	106.2 Å²	106.2	39%	0.387	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.3	167.6	-177.6	65	0	0	0	108.8	E331 W333 K346 D347	E331-L344 HydrophobicContact CB-CD1 3.81Å; E331-L344 HydrophobicContact CG-CD1 4.09Å; W333-L344 HydrophobicContact CD2-CB 4.3Å; W333-L344 HydrophobicContact CD2-CD1 4.05Å; W333-L344 HydrophobicContact CE3-CB 4.22Å; W333-L344 HydrophobicContact CG-CD1 4.25Å; W333-L344 HydrophobicContact CH2-CB 4.2Å; W333-L344 HydrophobicContact CZ2-CB 4.27Å; W333-L344 HydrophobicContact CZ2-CD1 4.02Å; W333-L344 HydrophobicContact CZ3-CB 4.17Å; L344-K346 WeakPolarHBondContact CD1-O 3.08Å; L344-D347 HydrophobicContact CD2-CB 4.07Å
345	L	58.1	Low	43.6	Very low	70 Å²	70	110 Å²	110	37%	0.366	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	-29.9	-179.2	-64.7	179.6	0	0	0	112.6	V332 R343 Y383	V332-L345 HydrophobicContact CB-CB 4.49Å; V332-L345 HydrophobicContact CG1-CB 4.5Å; V332-L345 HydrophobicContact CG1-CD1 4.29Å; V332-L345 WeakPolarHBondContact O-CA 3.41Å; V332-L345 WeakPolarHBondContact O-CB 3.22Å; V332-L345 PolarHBondContact O-N 2.84Å; R343-L345 PolarHBondContact O-N 3.45Å; L345-Y383 HydrophobicContact CD1-CD1 3.93Å; L345-Y383 HydrophobicContact CD1-CE1 3.68Å
346	K	49.8	Very low	42.1	Very low	87 Å²	87	114.8 Å²	114.8	38%	0.378	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-159.7	142	173.7	-170.4	160.6	-175.4	168.2	0	111.5	E331 V332 L344	E331-K346 WeakPolarHBondContact CA-O 3.48Å; V332-K346 PolarHBondContact N-O 2.85Å; V332-K346 VanDerWaalsContact N-O 3.14Å; L344-K346 WeakPolarHBondContact CD1-O 3.08Å
347	D	47.9	Very low	40.8	Very low	41 Å²	41	122 Å²	122	22%	0.219	63%	0.625	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.2	128.7	165.7	175.5	-2.1	0	0	0	107.7	L344 K349	L344-D347 HydrophobicContact CD2-CB 4.07Å; D347-K349 PolarHBondContact O-N 3.39Å; D347-K349 PolarHBondContact OD1-N 3.07Å
348	S	49.3	Very low	39.6	Very low	66 Å²	66	125.3 Å²	125.3	46%	0.462	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.5	-6.9	-179.3	55.6	0	0	0	0	114.7	Q329 L330	Q329-S348 WeakPolarHBondContact CA-OG 3.13Å; L330-S348 PolarHBondContact N-OG 2.96Å; L330-S348 PolarHBondContact O-N 3.08Å
349	K	34.2	Very low	38.8	Very low	137 Å²	137	120.3 Å²	120.3	60%	0.596	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-15.6	176.6	-81.2	174.4	166.6	165.2	0	115.4	Q329 D347	Q329-K349 HydrophobicContact CG-CD 4.27Å; Q329-K349 HydrophobicContact CG-CG 4.35Å; Q329-K349 VanDerWaalsContact NE2-CE 3.27Å; D347-K349 PolarHBondContact O-N 3.39Å; D347-K349 PolarHBondContact OD1-N 3.07Å
350	V	32.6	Very low	38.3	Very low	110 Å²	110	121.9 Å²	121.9	67%	0.667	62%	0.615	S	S	*	*	S	Bend	trans	-94.3	109.1	-173.3	-174.5	0	0	0	0	110.4
351	S	32.9	Very low	38.2	Very low	106 Å²	106	118.8 Å²	118.8	74%	0.741	60%	0.599	S	S	*	*			trans	-62.1	135.7	178.5	52.6	0	0	0	0	112.7	S353	S351-S353 PolarHBondContact O-N 3.3Å
352	D	31	Very low	37.5	Very low	136 Å²	136	115 Å²	115	73%	0.727	59%	0.588	S	S	*	*			trans	-46.5	97.6	-174.1	-63.8	-45.2	0	0	0	115.4	F354	D352-F354 HydrophobicContact CB-CD2 4.02Å; D352-F354 HydrophobicContact CB-CE2 3.7Å
353	S	27.8	Very low	36.3	Very low	107 Å²	107	119.1 Å²	119.1	75%	0.748	61%	0.606	S	S	*	*			trans	-102.8	93.9	160.4	63.7	0	0	0	0	109.5	S351 T355	S351-S353 PolarHBondContact O-N 3.3Å; S353-T355 PolarHBondContact O-N 3.17Å
354	F	26.6	Very low	34.9	Very low	183 Å²	183	118.1 Å²	118.1	80%	0.803	61%	0.607	S	S	*	*			trans	-67.1	115.6	177.8	-76.5	-93.3	0	0	0	111.6	D352	D352-F354 HydrophobicContact CB-CD2 4.02Å; D352-F354 HydrophobicContact CB-CE2 3.7Å
355	T	28.9	Very low	33.8	Very low	117 Å²	117	121.9 Å²	121.9	72%	0.718	63%	0.627	S	S	*	*			trans	-128.5	140.6	156	48.3	0	0	0	0	111.2	S353	S353-T355 PolarHBondContact O-N 3.17Å
356	N	27.3	Very low	32.7	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	139.2	-162.2	-73.1	-34.9	0	0	0	115.8
357	N	29.7	Very low	32.2	Very low	169 Å²	169	120.5 Å²	120.5	90%	0.904	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.3	8.7	171.4	-61	-15.3	0	0	0	118.3
358	E	28.7	Very low	31.9	Very low	168 Å²	168	120.1 Å²	120.1	79%	0.785	62%	0.624	S	S	*	*			trans	-103.4	145.5	178.9	-67.2	-170.5	157.3	0	0	114.4
359	K	29.9	Very low	31.6	Very low	76 Å²	76	118.7 Å²	118.7	33%	0.33	61%	0.613	S	S	.	*			trans	-45.6	134.7	-170.8	-62	166.8	-179.9	178	0	112.5	Y361	K359-Y361 HydrophobicContact CB-CE1 4.36Å; K359-Y361 HydrophobicContact CB-CE2 4.03Å; K359-Y361 WeakPolarHBondContact CB-OH 3.48Å; K359-Y361 WeakPolarHBondContact O-CD2 3.49Å; K359-Y361 WeakPolarHBondContact O-CE2 3.48Å
360	R	25.6	Very low	32	Very low	208 Å²	208	113.1 Å²	113.1	79%	0.785	59%	0.589	S	S	*	*			trans	-87.3	134.5	178.3	-74.1	-177.6	175.1	173.4	-1.2	111
361	Y	36	Very low	32.4	Very low	91 Å²	91	110.5 Å²	110.5	36%	0.357	57%	0.569	S	S	.	*			trans	-123.5	132.3	-178.3	-53.3	-83	0	0	0	109.7	K359	K359-Y361 HydrophobicContact CB-CE1 4.36Å; K359-Y361 HydrophobicContact CB-CE2 4.03Å; K359-Y361 WeakPolarHBondContact CB-OH 3.48Å; K359-Y361 WeakPolarHBondContact O-CD2 3.49Å; K359-Y361 WeakPolarHBondContact O-CE2 3.48Å
362	V	28.4	Very low	33.1	Very low	91 Å²	91	106.1 Å²	106.1	55%	0.552	54%	0.537	S	S	*	.			trans	-123.8	131.5	178.9	-174.3	0	0	0	0	109.9	F364	V362-F364 HydrophobicContact CB-CE2 4.07Å; V362-F364 HydrophobicContact CG1-CD2 3.99Å; V362-F364 HydrophobicContact CG1-CE2 3.38Å; V362-F364 HydrophobicContact CG1-CZ 3.73Å
363	L	27.3	Very low	33.6	Very low	143 Å²	143	101.9 Å²	101.9	75%	0.749	51%	0.513	S	S	*	.			trans	-89.2	133.3	178	-76.8	151.6	0	0	0	110.3
364	F	28.3	Very low	34.3	Very low	143 Å²	143	102.3 Å²	102.3	63%	0.627	51%	0.507	S	S	*	.	B	Isolated β-bridge	trans	-134.2	152.8	172.8	-74.3	-74.3	0	0	0	112.5	V362 N366 S367	V362-F364 HydrophobicContact CB-CE2 4.07Å; V362-F364 HydrophobicContact CG1-CD2 3.99Å; V362-F364 HydrophobicContact CG1-CE2 3.38Å; V362-F364 HydrophobicContact CG1-CZ 3.73Å; F364-N366 PolarHBondContact O-N 3.45Å; F364-S367 PolarHBondContact O-N 3Å
365	D	30.4	Very low	35.3	Very low	154 Å²	154	94.9 Å²	94.9	82%	0.824	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	114.1	-174.1	-69.9	-39.9	0	0	0	114.2
366	N	34.3	Very low	36.4	Very low	102 Å²	102	91.5 Å²	91.5	55%	0.545	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	8.8	175.7	-57.5	-38.9	0	0	0	117.9	F364	F364-N366 PolarHBondContact O-N 3.45Å
367	S	38.6	Very low	37.7	Very low	25 Å²	25	88.9 Å²	88.9	18%	0.175	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-149.6	126.3	172.1	59.5	0	0	0	0	110.1	H322 F364 T369	H322-S367 VanDerWaalsContact CE1-CB 3.46Å; H322-S367 WeakPolarHBondContact CE1-CB 3.46Å; H322-S367 WeakPolarHBondContact ND1-CB 3.05Å; F364-S367 PolarHBondContact O-N 3Å; S367-T369 PolarHBondContact O-N 2.63Å
368	I	42.8	Very low	38.8	Very low	34 Å²	34	89.4 Å²	89.4	17%	0.174	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	107.7	174.9	-59.1	178.3	0	0	0	107.5	C321 I327 L330 L370	C321-I368 PolarHBondContact N-O 2.9Å; C321-I368 PolarHBondContact O-N 3.09Å; C321-I368 VanDerWaalsContact O-N 3.13Å; I327-I368 HydrophobicContact CD1-CD1 4.21Å; L330-I368 HydrophobicContact CD2-CD1 3.83Å; L330-I368 HydrophobicContact CD2-CG2 4.06Å; I368-L370 HydrophobicContact CG2-CD2 4.45Å; I368-L370 HydrophobicContact CG2-CG 4.34Å
369	T	41.6	Very low	40.2	Very low	36 Å²	36	83.2 Å²	83.2	22%	0.221	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	101.8	176.8	-60	0	0	0	0	109.4	I318 L319 V320 S367 K371	I318-T369 HydrophobicContact CG2-CG2 3.15Å; L319-T369 CarbonylContact O-C 3.58Å; V320-T369 HydrophobicContact CG2-CG2 3.99Å; S367-T369 PolarHBondContact O-N 2.63Å; T369-K371 PolarHBondContact O-N 3.17Å
370	L	42.8	Very low	41.6	Very low	19 Å²	19	79.9 Å²	79.9	10%	0.099	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	103.3	174.3	-68.8	166.4	0	0	0	109.1	L319 V332 I368 L372	L319-L370 HydrophobicContact CB-CB 4.14Å; L319-L370 WeakPolarHBondContact CB-O 3.39Å; L319-L370 PolarHBondContact N-O 3Å; L319-L370 PolarHBondContact O-N 3.21Å; V332-L370 HydrophobicContact CG1-CD1 4.49Å; V332-L370 HydrophobicContact CG2-CD1 3.66Å; V332-L370 HydrophobicContact CG2-CD2 4.2Å; I368-L370 HydrophobicContact CG2-CD2 4.45Å; I368-L370 HydrophobicContact CG2-CG 4.34Å; L370-L372 PolarHBondContact O-N 3.35Å
371	K	42.5	Very low	43.4	Very low	56 Å²	56	70.2 Å²	70.2	24%	0.243	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110.4	175.1	-164.9	176.6	-173.7	-154.2	0	109.9	E316 I318 T369 E373	E316-K371 WeakPolarHBondContact OE1-CE 3.44Å; E316-K371 IonicContact OE1-NZ 2.76Å; E316-K371 PolarHBondContact OE1-NZ 3.09Å; E316-K371 WeakPolarHBondContact OE2-CE 3.48Å; E316-K371 IonicContact OE2-NZ 3.81Å; E316-K371 PolarHBondContact OE2-NZ 3.44Å; I318-K371 HydrophobicContact CG1-CG 4.24Å; T369-K371 PolarHBondContact O-N 3.17Å; K371-E373 HydrophobicContact CD-CG 4.16Å; K371-E373 VanDerWaalsContact CD-OE1 3.28Å; K371-E373 WeakPolarHBondContact CD-OE1 3.25Å; K371-E373 WeakPolarHBondContact CE-OE1 3.42Å; K371-E373 HydrophobicContact CG-CG 3.98Å; K371-E373 IonicContact NZ-OE1 3.61Å; K371-E373 PolarHBondContact NZ-OE1 2.95Å
372	L	45.8	Very low	44.7	Very low	14 Å²	14	68.1 Å²	68.1	7%	0.073	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	103.8	173.2	-65.1	174.4	0	0	0	108.8	V317 L319 L370 L375 Y383 I396	V317-L372 PolarHBondContact N-O 2.97Å; V317-L372 PolarHBondContact O-N 3.37Å; L319-L372 HydrophobicContact CD1-CD1 3.95Å; L370-L372 PolarHBondContact O-N 3.35Å; L372-L375 HydrophobicContact CB-CD1 4.13Å; L372-L375 HydrophobicContact CB-CD2 4.21Å; L372-L375 HydrophobicContact CB-CG 4.26Å; L372-Y383 HydrophobicContact CD1-CE1 4.23Å; L372-I396 HydrophobicContact CD1-CD1 3.93Å
373	E	41.7	Very low	46.2	Very low	47 Å²	47	64.2 Å²	64.2	22%	0.22	32%	0.319	C	S	.	.			trans	-95.5	150.8	176.9	-59.4	-179	174.5	0	0	111.2	E316 K371	E316-E373 HydrophobicContact CG-CG 4.11Å; K371-E373 HydrophobicContact CD-CG 4.16Å; K371-E373 VanDerWaalsContact CD-OE1 3.28Å; K371-E373 WeakPolarHBondContact CD-OE1 3.25Å; K371-E373 WeakPolarHBondContact CE-OE1 3.42Å; K371-E373 HydrophobicContact CG-CG 3.98Å; K371-E373 IonicContact NZ-OE1 3.61Å; K371-E373 PolarHBondContact NZ-OE1 2.95Å
374	N	42.2	Very low	47.7	Very low	116 Å²	116	59.1 Å²	59.1	62%	0.62	29%	0.292	S	S	*	.	S	Bend	trans	58.2	43.6	176.4	-64.1	-21.7	0	0	0	115.7	S314	S314-N374 WeakPolarHBondContact CB-OD1 3.14Å
375	L	49.1	Very low	49	Very low	26 Å²	26	52.8 Å²	52.8	14%	0.136	27%	0.265	C	S	.	.			trans	-66.7	132.9	174.3	-67.3	170.3	0	0	0	111.6	V317 L372 D379 V398	V317-L375 HydrophobicContact CB-CD1 3.71Å; V317-L375 HydrophobicContact CG2-CD1 3.6Å; L372-L375 HydrophobicContact CB-CD1 4.13Å; L372-L375 HydrophobicContact CB-CD2 4.21Å; L372-L375 HydrophobicContact CB-CG 4.26Å; L375-D379 HydrophobicContact CD2-CB 3.61Å; L375-V398 HydrophobicContact CB-CG2 4.29Å
376	S	50.6	Low	50.1	Low	46 Å²	46	49.7 Å²	49.7	32%	0.322	24%	0.244	S	C	.	.			trans	-112.9	170.8	174.1	70.8	0	0	0	0	110.7	R378 D379	S376-R378 PolarHBondContact O-N 3.43Å; S376-R378 PolarHBondContact OG-N 2.91Å; S376-D379 PolarHBondContact N-OD2 3.22Å; S376-D379 WeakPolarHBondContact O-CB 3.44Å; S376-D379 PolarHBondContact O-N 3.17Å; S376-D379 PolarHBondContact OG-OD2 3.01Å
377	Y	56.4	Low	51	Low	103 Å²	103	45.6 Å²	45.6	40%	0.404	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-54.7	-26.2	173.8	74.7	-88.8	0	0	0	113.3	D379 S380 V398 D400	Y377-D379 PolarHBondContact O-N 3.17Å; Y377-S380 WeakPolarHBondContact O-CB 3.34Å; Y377-S380 PolarHBondContact O-N 3.43Å; Y377-S380 PolarHBondContact O-OG 3.5Å; Y377-V398 WeakPolarHBondContact CA-O 3.41Å; Y377-D400 WeakPolarHBondContact CD1-OD1 3.38Å; Y377-D400 WeakPolarHBondContact CD1-OD2 3.39Å; Y377-D400 WeakPolarHBondContact CE1-OD2 3.45Å
378	R	52.4	Low	51.3	Low	180 Å²	180	47.8 Å²	47.8	68%	0.679	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-72.6	-15.1	178.6	-62.3	-175.6	173.5	-175.6	-2	113.8	Y334 S376 S380	Y334-R378 PolarHBondContact OH-O 3.39Å; S376-R378 PolarHBondContact O-N 3.43Å; S376-R378 PolarHBondContact OG-N 2.91Å; R378-S380 VanDerWaalsContact C-N 3.34Å
379	D	56.9	Low	51.3	Low	37 Å²	37	54 Å²	54	20%	0.198	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-92.5	1.2	176.6	-55.6	-67.9	0	0	0	111.6	L375 S376 Y377 G381 Y383	L375-D379 HydrophobicContact CD2-CB 3.61Å; S376-D379 PolarHBondContact N-OD2 3.22Å; S376-D379 WeakPolarHBondContact O-CB 3.44Å; S376-D379 PolarHBondContact O-N 3.17Å; S376-D379 PolarHBondContact OG-OD2 3.01Å; Y377-D379 PolarHBondContact O-N 3.17Å; D379-G381 PolarHBondContact O-N 3.03Å; D379-Y383 WeakPolarHBondContact O-CE2 3.33Å; D379-Y383 PolarHBondContact O-OH 3.18Å
380	S	60.6	Low	51.5	Low	7 Å²	7	58.7 Å²	58.7	5%	0.049	28%	0.276	C	S	.	.			trans	-63.6	128.4	169.1	-55.7	0	0	0	0	110	Y334 Q337 Y377 R378 I396 V398	Y334-S380 PolarHBondContact OH-O 3.16Å; Y334-S380 VanDerWaalsContact OH-O 3.06Å; Q337-S380 WeakPolarHBondContact CB-O 3.46Å; Y377-S380 WeakPolarHBondContact O-CB 3.34Å; Y377-S380 PolarHBondContact O-N 3.43Å; Y377-S380 PolarHBondContact O-OG 3.5Å; R378-S380 VanDerWaalsContact C-N 3.34Å; S380-I396 CarbonylContact C-O 3.54Å; S380-I396 VanDerWaalsContact CA-O 3.27Å; S380-I396 WeakPolarHBondContact CA-O 3.45Å; S380-V398 WeakPolarHBondContact OG-CA 3.24Å; S380-V398 PolarHBondContact OG-N 3.04Å; S380-V398 PolarHBondContact OG-O 2.95Å
381	G	63.6	Low	51.9	Low	5 Å²	5	65.1 Å²	65.1	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-173.1	178.4	0	0	0	0	0	113.7	D379 I396	D379-G381 PolarHBondContact O-N 3.03Å; G381-I396 PolarHBondContact N-O 3.28Å; G381-I396 PolarHBondContact O-N 3.48Å
382	L	62.8	Low	52.2	Low	47 Å²	47	66.2 Å²	66.2	25%	0.246	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.7	177.1	-176.7	65.5	0	0	0	110.7	L335 I384 N393	L335-L382 HydrophobicContact CB-CB 4.47Å; L335-L382 PolarHBondContact N-O 3.13Å; L382-I384 HydrophobicContact CG-CG1 4.38Å; L382-N393 HydrophobicContact CD1-CB 4.1Å
383	Y	59	Low	52.6	Low	9 Å²	9	68.9 Å²	68.9	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.8	172.5	-68.5	-102.5	0	0	0	109.5	W333 Y334 L345 L372 D379 V394 I396	W333-Y383 CarbonylContact O-C 3.59Å; W333-Y383 WeakPolarHBondContact O-CA 3.29Å; Y334-Y383 HydrophobicContact CD2-CD1 4.13Å; Y334-Y383 HydrophobicContact CD2-CD2 4.09Å; Y334-Y383 AromaticContact CD2-CE1 3.72Å; Y334-Y383 HydrophobicContact CD2-CE1 3.72Å; Y334-Y383 AromaticContact CD2-CE2 3.65Å; Y334-Y383 HydrophobicContact CD2-CE2 3.65Å; Y334-Y383 HydrophobicContact CD2-CG 4.32Å; Y334-Y383 AromaticContact CD2-CZ 3.45Å; Y334-Y383 VanDerWaalsContact CD2-CZ 3.45Å; Y334-Y383 HydrophobicContact CE2-CE1 4.47Å; Y334-Y383 AromaticContact CE2-CE2 3.79Å; Y334-Y383 HydrophobicContact CE2-CE2 3.79Å; Y334-Y383 AromaticContact CE2-CZ 3.77Å; Y334-Y383 HydrophobicContact CG-CE1 4.3Å; L345-Y383 HydrophobicContact CD1-CD1 3.93Å; L345-Y383 HydrophobicContact CD1-CE1 3.68Å; L372-Y383 HydrophobicContact CD1-CE1 4.23Å; D379-Y383 WeakPolarHBondContact O-CE2 3.33Å; D379-Y383 PolarHBondContact O-OH 3.18Å; Y383-V394 WeakPolarHBondContact CB-O 3.17Å; Y383-V394 PolarHBondContact N-O 3.4Å; Y383-V394 PolarHBondContact O-N 3.06Å; Y383-I396 HydrophobicContact CD2-CB 4.06Å; Y383-I396 HydrophobicContact CD2-CD1 3.58Å; Y383-I396 HydrophobicContact CD2-CG1 3.7Å; Y383-I396 HydrophobicContact CE2-CB 3.88Å; Y383-I396 HydrophobicContact CE2-CD1 3.6Å; Y383-I396 HydrophobicContact CE2-CG1 3.91Å; Y383-I396 HydrophobicContact CG-CD1 4.14Å
384	I	58.4	Low	53.1	Low	36 Å²	36	67.2 Å²	67.2	19%	0.185	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	176.3	-55.2	-173.4	0	0	0	108.4	V332 W333 L335 L382 K392 N393	V332-I384 CarbonylContact C-O 3.57Å; V332-I384 WeakPolarHBondContact CA-O 3.48Å; W333-I384 HydrophobicContact CB-CB 4.32Å; W333-I384 PolarHBondContact N-O 3.34Å; W333-I384 PolarHBondContact O-N 2.88Å; L335-I384 HydrophobicContact CD1-CD1 3.4Å; L335-I384 HydrophobicContact CD1-CG1 3.75Å; L382-I384 HydrophobicContact CG-CG1 4.38Å; I384-K392 WeakPolarHBondContact CA-O 3.45Å; I384-N393 WeakPolarHBondContact CG1-OD1 3.44Å
385	C	56.2	Low	53.7	Low	10 Å²	10	64.1 Å²	64.1	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.4	168.4	-64.6	0	0	0	0	108.2	Y391 K392	C385-Y391 CarbonylContact O-C 3.56Å; C385-Y391 VanDerWaalsContact O-CA 3.23Å; C385-Y391 WeakPolarHBondContact O-CA 3.28Å; C385-K392 PolarHBondContact N-O 3.19Å; C385-K392 PolarHBondContact O-N 3.31Å
386	K	53.2	Low	54	Low	89 Å²	89	63 Å²	63	39%	0.387	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.9	-178.2	173.8	-174.2	161.7	-145.8	0	110.3	L330 E331 F390	L330-K386 WeakPolarHBondContact CD1-O 3.45Å; E331-K386 HydrophobicContact CB-CB 4.41Å; E331-K386 PolarHBondContact N-O 2.97Å; E331-K386 PolarHBondContact O-N 2.85Å; E331-K386 IonicContact OE1-NZ 3.7Å; E331-K386 IonicContact OE2-NZ 3.54Å; E331-K386 PolarHBondContact OE2-NZ 3.47Å; K386-F390 CarbonylContact C-O 3.51Å; K386-F390 WeakPolarHBondContact CA-O 3.38Å
387	N	54	Low	53.9	Low	15 Å²	15	62.1 Å²	62.1	8%	0.08	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-175.3	162.8	73	17.1	0	0	0	109.9	V323 I327 Q329 L330 F389 F390	V323-N387 WeakPolarHBondContact CG1-ND2 3.17Å; I327-N387 HydrophobicContact CG2-CB 3.79Å; Q329-N387 WeakPolarHBondContact O-CA 3.46Å; Q329-N387 WeakPolarHBondContact O-CB 3.44Å; L330-N387 HydrophobicContact CD1-CB 4.32Å; N387-F389 PolarHBondContact O-N 3.01Å; N387-F389 WeakPolarHBondContact OD1-CA 3.44Å; N387-F389 PolarHBondContact OD1-N 3.33Å; N387-F390 PolarHBondContact N-O 3.14Å; N387-F390 WeakPolarHBondContact OD1-CA 3.41Å; N387-F390 WeakPolarHBondContact OD1-CB 2.95Å; N387-F390 PolarHBondContact OD1-N 3.13Å; N387-F390 PolarHBondContact OD1-O 3.17Å
388	D	45.2	Very low	53.6	Low	72 Å²	72	59 Å²	59	39%	0.385	28%	0.275	S	S	.	.	S	Bend	trans	-58.5	-18.2	-180	-63.1	-35.4	0	0	0	114.2	S328	S328-D388 PolarHBondContact OG-OD2 3.4Å
389	F	42.2	Very low	53.3	Low	164 Å²	164	55.7 Å²	55.7	72%	0.719	27%	0.269	S	S	*	.	S	Bend	trans	-127.4	-17.8	-170.7	-56.6	-73.6	0	0	0	115.1	N387	N387-F389 PolarHBondContact O-N 3.01Å; N387-F389 WeakPolarHBondContact OD1-CA 3.44Å; N387-F389 PolarHBondContact OD1-N 3.33Å
390	F	45.2	Very low	52.5	Low	135 Å²	135	58.4 Å²	58.4	59%	0.592	28%	0.284	S	S	*	.			trans	-150.2	146.6	-166.7	-64.3	-78.8	0	0	0	111.1	K386 N387	K386-F390 CarbonylContact C-O 3.51Å; K386-F390 WeakPolarHBondContact CA-O 3.38Å; N387-F390 PolarHBondContact N-O 3.14Å; N387-F390 WeakPolarHBondContact OD1-CA 3.41Å; N387-F390 WeakPolarHBondContact OD1-CB 2.95Å; N387-F390 PolarHBondContact OD1-N 3.13Å; N387-F390 PolarHBondContact OD1-O 3.17Å
391	Y	51.8	Low	51.7	Low	154 Å²	154	63.2 Å²	63.2	60%	0.604	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	148	165.4	66.7	-84.7	0	0	0	110.7	C385	C385-Y391 CarbonylContact O-C 3.56Å; C385-Y391 VanDerWaalsContact O-CA 3.23Å; C385-Y391 WeakPolarHBondContact O-CA 3.28Å
392	K	48.9	Very low	50.5	Low	78 Å²	78	67.8 Å²	67.8	34%	0.339	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.6	175.9	-170.2	171.5	-177	176.8	0	110.8	L296 I384 C385	L296-K392 PolarHBondContact O-NZ 2.99Å; I384-K392 WeakPolarHBondContact CA-O 3.45Å; C385-K392 PolarHBondContact N-O 3.19Å; C385-K392 PolarHBondContact O-N 3.31Å
393	N	53.5	Low	49.1	Very low	71 Å²	71	73.7 Å²	73.7	38%	0.38	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.3	179.4	-69.3	-0.8	0	0	0	110.1	L382 I384	L382-N393 HydrophobicContact CD1-CB 4.1Å; I384-N393 WeakPolarHBondContact CG1-OD1 3.44Å
394	V	53.9	Low	48.3	Very low	12 Å²	12	77.2 Å²	77.2	7%	0.073	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.1	177.9	-177.6	0	0	0	0	108.9	F302 L319 Y383 I396	F302-V394 HydrophobicContact CD2-CG1 4.44Å; L319-V394 HydrophobicContact CD1-CG1 4.43Å; L319-V394 HydrophobicContact CD2-CG1 4.18Å; L319-V394 HydrophobicContact CD2-CG2 4.25Å; Y383-V394 WeakPolarHBondContact CB-O 3.17Å; Y383-V394 PolarHBondContact N-O 3.4Å; Y383-V394 PolarHBondContact O-N 3.06Å; V394-I396 HydrophobicContact CG1-CG1 4.24Å
395	T	53.4	Low	47.4	Very low	50 Å²	50	81.7 Å²	81.7	31%	0.307	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.2	176.4	-53.1	0	0	0	0	110	T300 F302	T300-T395 PolarHBondContact O-N 3.32Å; F302-T395 PolarHBondContact N-O 2.96Å
396	I	54.9	Low	46.5	Very low	4 Å²	4	89.1 Å²	89.1	2%	0.021	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.2	176.8	-53.8	-178.7	0	0	0	108.6	L319 L372 S380 G381 Y383 V394 V398	L319-I396 HydrophobicContact CD1-CD1 3.65Å; L372-I396 HydrophobicContact CD1-CD1 3.93Å; S380-I396 CarbonylContact C-O 3.54Å; S380-I396 VanDerWaalsContact CA-O 3.27Å; S380-I396 WeakPolarHBondContact CA-O 3.45Å; G381-I396 PolarHBondContact N-O 3.28Å; G381-I396 PolarHBondContact O-N 3.48Å; Y383-I396 HydrophobicContact CD2-CB 4.06Å; Y383-I396 HydrophobicContact CD2-CD1 3.58Å; Y383-I396 HydrophobicContact CD2-CG1 3.7Å; Y383-I396 HydrophobicContact CE2-CB 3.88Å; Y383-I396 HydrophobicContact CE2-CD1 3.6Å; Y383-I396 HydrophobicContact CE2-CG1 3.91Å; Y383-I396 HydrophobicContact CG-CD1 4.14Å; V394-I396 HydrophobicContact CG1-CG1 4.24Å; I396-V398 HydrophobicContact CG2-CG2 4.11Å
397	T	50.3	Low	46.1	Very low	27 Å²	27	90.2 Å²	90.2	17%	0.166	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.6	174	53	0	0	0	0	110.9	F302	F302-T397 PolarHBondContact O-OG1 3.47Å
398	V	49.7	Very low	45.9	Very low	36 Å²	36	93.2 Å²	93.2	22%	0.218	48%	0.484	C	S	.	.			trans	-118.3	116.8	-178.9	-174.8	0	0	0	0	109	L375 Y377 S380 I396	L375-V398 HydrophobicContact CB-CG2 4.29Å; Y377-V398 WeakPolarHBondContact CA-O 3.41Å; S380-V398 WeakPolarHBondContact OG-CA 3.24Å; S380-V398 PolarHBondContact OG-N 3.04Å; S380-V398 PolarHBondContact OG-O 2.95Å; I396-V398 HydrophobicContact CG2-CG2 4.11Å
399	M	44.9	Very low	46.3	Very low	111 Å²	111	94 Å²	94	55%	0.547	49%	0.491	S	S	.	.			trans	-101.5	133.2	-176.5	-69.4	-173	-85.5	0	0	112.3	Y305	Y305-M399 HydrophobicContact CD1-CE 4.16Å; Y305-M399 HydrophobicContact CE1-CE 3.42Å; Y305-M399 VanDerWaalsContact CE1-CE 3.42Å
400	D	39.9	Very low	46.7	Very low	94 Å²	94	92.7 Å²	92.7	50%	0.503	49%	0.486	S	S	.	.			trans	-78.9	125.8	173.4	-103	6.5	0	0	0	111.4	Y377 S402	Y377-D400 WeakPolarHBondContact CD1-OD1 3.38Å; Y377-D400 WeakPolarHBondContact CD1-OD2 3.39Å; Y377-D400 WeakPolarHBondContact CE1-OD2 3.45Å; D400-S402 VanDerWaalsContact C-N 3.27Å; D400-S402 PolarHBondContact O-N 3.02Å
401	C	43.7	Very low	47	Very low	109 Å²	109	90.1 Å²	90.1	74%	0.736	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	4.2	-177.1	-72.5	0	0	0	0	115.7
402	S	39.7	Very low	47.2	Very low	100 Å²	100	86.2 Å²	86.2	70%	0.699	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.1	-170.9	62.9	0	0	0	0	115.9	D400	D400-S402 VanDerWaalsContact C-N 3.27Å; D400-S402 PolarHBondContact O-N 3.02Å
403	K	34.1	Very low	47.4	Very low	171 Å²	171	86 Å²	86	74%	0.743	48%	0.478	S	S	*	.	S	Bend	trans	-103.8	-1.5	-177.3	-78.7	-172.4	178.1	179.1	0	116.5	N405	K403-N405 PolarHBondContact O-N 3.37Å
404	S	42.2	Very low	47.8	Very low	84 Å²	84	87.4 Å²	87.4	59%	0.587	48%	0.484	S	S	*	.	H	α-helix	trans	-79	-14.5	-178.9	74	0	0	0	0	114.9
405	N	38.9	Very low	48.3	Very low	130 Å²	130	90.6 Å²	90.6	70%	0.695	50%	0.5	S	S	*	.	H	α-helix	trans	-94.6	-4.9	-177.1	-84.2	-4.6	0	0	0	116.3	K403	K403-N405 PolarHBondContact O-N 3.37Å
406	F	36.9	Very low	49.1	Very low	166 Å²	166	93 Å²	93	73%	0.728	51%	0.51	S	S	*	.	H	α-helix	trans	-89.8	-29.2	172.2	-158.4	-98.2	0	0	0	112.4
407	I	45.6	Very low	49.4	Very low	111 Å²	111	102.2 Å²	102.2	57%	0.569	55%	0.545	S	S	*	.	H	α-helix	trans	-77.4	-31.7	-172.7	-61	174.7	0	0	0	111.8	L411	I407-L411 HydrophobicContact CG2-CD2 4.15Å; I407-L411 WeakPolarHBondContact O-CB 3.42Å
408	S	49.4	Very low	50.6	Low	79 Å²	79	105 Å²	105	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-78.5	-24.8	-174.6	60.6	0	0	0	0	114.4
409	T	53.4	Low	51.6	Low	88 Å²	88	107.7 Å²	107.7	54%	0.54	57%	0.57	S	S	.	*	H	α-helix	trans	-100.5	-35.8	-167.5	-32.7	0	0	0	0	114.4
410	F	49.5	Very low	53	Low	136 Å²	136	106.5 Å²	106.5	60%	0.596	57%	0.565	S	S	*	*	H	α-helix	trans	-121.6	-6.4	-171	-72.4	-74.8	0	0	0	115.8	P413	F410-P413 WeakPolarHBondContact O-CD 3.37Å
411	L	53	Low	54.5	Low	82 Å²	82	109.6 Å²	109.6	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-73.7	-38.9	179.4	-157.4	71.9	0	0	0	114.1	I407 I414 L415	I407-L411 HydrophobicContact CG2-CD2 4.15Å; I407-L411 WeakPolarHBondContact O-CB 3.42Å; L411-I414 PolarHBondContact O-N 3.2Å; L411-L415 HydrophobicContact CD1-CD1 3.75Å; L411-L415 HydrophobicContact CD2-CD1 3.53Å; L411-L415 HydrophobicContact CG-CD1 3.35Å; L411-L415 WeakPolarHBondContact O-CB 3.46Å; L411-L415 PolarHBondContact O-N 2.86Å
412	P	56.2	Low	55.9	Low	71 Å²	71	108.7 Å²	108.7	46%	0.461	56%	0.561	S	S	.	*	H	α-helix	trans	-59.1	-43.2	-175.4	-21.5	30.3	0	0	0	115.2	I416	P412-I416 WeakPolarHBondContact O-CD1 3.45Å; P412-I416 VanDerWaalsContact O-CG1 3.24Å; P412-I416 WeakPolarHBondContact O-CG1 3.3Å; P412-I416 PolarHBondContact O-N 3.46Å
413	P	52.9	Low	57.4	Low	75 Å²	75	107 Å²	107	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-69.7	-36.5	-178.3	-17.1	30.2	0	0	0	113	F410 W417	F410-P413 WeakPolarHBondContact O-CD 3.37Å; P413-W417 PolarHBondContact O-N 3.32Å
414	I	61.7	Low	59.3	Low	99 Å²	99	104.9 Å²	104.9	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-75.5	-39.8	-176.8	-61.5	173.9	0	0	0	110.2	L411 I416 W417 I418	L411-I414 PolarHBondContact O-N 3.2Å; I414-I416 VanDerWaalsContact C-N 3.34Å; I414-I416 PolarHBondContact O-N 3.2Å; I414-W417 PolarHBondContact O-N 3.07Å; I414-I418 HydrophobicContact CG2-CD1 3.69Å; I414-I418 HydrophobicContact CG2-CG1 4.36Å; I414-I418 VanDerWaalsContact O-CG1 3.31Å; I414-I418 WeakPolarHBondContact O-CG1 3.18Å; I414-I418 PolarHBondContact O-N 2.88Å
415	L	64.5	Low	60.8	Low	79 Å²	79	104 Å²	104	41%	0.414	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-34.9	179	-117.7	127.2	0	0	0	112.5	L411 I418 I419	L411-L415 HydrophobicContact CD1-CD1 3.75Å; L411-L415 HydrophobicContact CD2-CD1 3.53Å; L411-L415 HydrophobicContact CG-CD1 3.35Å; L411-L415 WeakPolarHBondContact O-CB 3.46Å; L411-L415 PolarHBondContact O-N 2.86Å; L415-I418 PolarHBondContact O-N 3.41Å; L415-I419 HydrophobicContact CD2-CD1 3.92Å; L415-I419 HydrophobicContact CD2-CG1 4.41Å; L415-I419 WeakPolarHBondContact O-CB 3.29Å; L415-I419 WeakPolarHBondContact O-CD1 3.4Å; L415-I419 WeakPolarHBondContact O-CG1 3.43Å; L415-I419 PolarHBondContact O-N 2.91Å
416	I	70.2	Confident	62.3	Low	100 Å²	100	100.4 Å²	100.4	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.9	-68.5	166.2	0	0	0	110.8	P412 I414 I419 I420	P412-I416 WeakPolarHBondContact O-CD1 3.45Å; P412-I416 VanDerWaalsContact O-CG1 3.24Å; P412-I416 WeakPolarHBondContact O-CG1 3.3Å; P412-I416 PolarHBondContact O-N 3.46Å; I414-I416 VanDerWaalsContact C-N 3.34Å; I414-I416 PolarHBondContact O-N 3.2Å; I416-I419 PolarHBondContact O-N 3.07Å; I416-I420 HydrophobicContact CG2-CD1 4.03Å; I416-I420 VanDerWaalsContact O-CG1 3.3Å; I416-I420 WeakPolarHBondContact O-CG1 3.46Å; I416-I420 PolarHBondContact O-N 2.75Å; I416-I420 VanDerWaalsContact O-N 3.13Å
417	W	61.8	Low	64.1	Low	199 Å²	199	97.8 Å²	97.8	75%	0.754	51%	0.511	S	S	*	.	H	α-helix	trans	-67.9	-37.7	176.9	-88.8	93.2	0	0	0	112.9	P413 I414 F421	P413-W417 PolarHBondContact O-N 3.32Å; I414-W417 PolarHBondContact O-N 3.07Å; W417-F421 PolarHBondContact O-N 3.47Å; W417-F421 VanDerWaalsContact O-N 3.1Å
418	I	74.4	Confident	65.3	Low	86 Å²	86	95.9 Å²	95.9	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-41.3	176.5	-69	171.8	0	0	0	111	I414 L415 I420 F421 I422	I414-I418 HydrophobicContact CG2-CD1 3.69Å; I414-I418 HydrophobicContact CG2-CG1 4.36Å; I414-I418 VanDerWaalsContact O-CG1 3.31Å; I414-I418 WeakPolarHBondContact O-CG1 3.18Å; I414-I418 PolarHBondContact O-N 2.88Å; L415-I418 PolarHBondContact O-N 3.41Å; I418-I420 PolarHBondContact O-N 2.82Å; I418-F421 PolarHBondContact O-N 3.41Å; I418-I422 HydrophobicContact CG2-CD1 3.48Å; I418-I422 VanDerWaalsContact CG2-CD1 3.48Å; I418-I422 HydrophobicContact CG2-CG1 4.17Å; I418-I422 WeakPolarHBondContact O-CB 3.41Å; I418-I422 VanDerWaalsContact O-CG1 3.25Å; I418-I422 WeakPolarHBondContact O-CG1 3.36Å; I418-I422 PolarHBondContact O-N 3.02Å
419	I	71	Confident	66.3	Low	92 Å²	92	97.7 Å²	97.7	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-41.8	177.8	-69.8	164.2	0	0	0	111.1	L415 I416 F421 T423	L415-I419 HydrophobicContact CD2-CD1 3.92Å; L415-I419 HydrophobicContact CD2-CG1 4.41Å; L415-I419 WeakPolarHBondContact O-CB 3.29Å; L415-I419 WeakPolarHBondContact O-CD1 3.4Å; L415-I419 WeakPolarHBondContact O-CG1 3.43Å; L415-I419 PolarHBondContact O-N 2.91Å; I416-I419 PolarHBondContact O-N 3.07Å; I419-F421 VanDerWaalsContact C-N 3.35Å; I419-F421 PolarHBondContact O-N 2.86Å; I419-T423 HydrophobicContact CG2-CG2 4.38Å; I419-T423 WeakPolarHBondContact O-CB 3.41Å; I419-T423 VanDerWaalsContact O-CG2 3.24Å; I419-T423 WeakPolarHBondContact O-CG2 3.41Å; I419-T423 PolarHBondContact O-N 2.68Å; I419-T423 PolarHBondContact O-OG1 3.48Å
420	I	73.5	Confident	67.2	Low	85 Å²	85	98.2 Å²	98.2	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-41.1	177	-66.7	166.7	0	0	0	110.8	I416 I418 T423 I424	I416-I420 HydrophobicContact CG2-CD1 4.03Å; I416-I420 VanDerWaalsContact O-CG1 3.3Å; I416-I420 WeakPolarHBondContact O-CG1 3.46Å; I416-I420 PolarHBondContact O-N 2.75Å; I416-I420 VanDerWaalsContact O-N 3.13Å; I418-I420 PolarHBondContact O-N 2.82Å; I420-T423 PolarHBondContact O-OG1 2.98Å; I420-I424 HydrophobicContact CG2-CD1 4.03Å; I420-I424 WeakPolarHBondContact O-CG1 3.42Å; I420-I424 PolarHBondContact O-N 3.2Å
421	F	72.5	Confident	68.4	Low	160 Å²	160	97 Å²	97	70%	0.702	51%	0.508	S	S	*	.	H	α-helix	trans	-71.6	-40.5	-179.4	-161.6	-95.5	0	0	0	112.9	W417 I418 I419 S425	W417-F421 PolarHBondContact O-N 3.47Å; W417-F421 VanDerWaalsContact O-N 3.1Å; I418-F421 PolarHBondContact O-N 3.41Å; I419-F421 VanDerWaalsContact C-N 3.35Å; I419-F421 PolarHBondContact O-N 2.86Å; F421-S425 PolarHBondContact O-N 2.98Å
422	I	73.3	Confident	69.4	Low	90 Å²	90	97.8 Å²	97.8	46%	0.462	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-42.2	177.4	-69.4	173.9	0	0	0	110.7	I418 I424 S425 T426	I418-I422 HydrophobicContact CG2-CD1 3.48Å; I418-I422 VanDerWaalsContact CG2-CD1 3.48Å; I418-I422 HydrophobicContact CG2-CG1 4.17Å; I418-I422 WeakPolarHBondContact O-CB 3.41Å; I418-I422 VanDerWaalsContact O-CG1 3.25Å; I418-I422 WeakPolarHBondContact O-CG1 3.36Å; I418-I422 PolarHBondContact O-N 3.02Å; I422-I424 PolarHBondContact O-N 2.85Å; I422-S425 PolarHBondContact O-N 3.14Å; I422-T426 HydrophobicContact CG2-CG2 3.78Å; I422-T426 VanDerWaalsContact O-CB 3.31Å; I422-T426 WeakPolarHBondContact O-CB 3.34Å; I422-T426 VanDerWaalsContact O-CG2 3.29Å; I422-T426 WeakPolarHBondContact O-CG2 3.21Å; I422-T426 PolarHBondContact O-N 3.41Å; I422-T426 PolarHBondContact O-OG1 3.28Å
423	T	70.5	Confident	70.2	Confident	64 Å²	64	101.2 Å²	101.2	39%	0.393	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-39.8	-178.8	48.4	0	0	0	0	112.4	I419 I420 S425 I427	I419-T423 HydrophobicContact CG2-CG2 4.38Å; I419-T423 WeakPolarHBondContact O-CB 3.41Å; I419-T423 VanDerWaalsContact O-CG2 3.24Å; I419-T423 WeakPolarHBondContact O-CG2 3.41Å; I419-T423 PolarHBondContact O-N 2.68Å; I419-T423 PolarHBondContact O-OG1 3.48Å; I420-T423 PolarHBondContact O-OG1 2.98Å; T423-S425 PolarHBondContact O-N 3.42Å; T423-I427 VanDerWaalsContact O-CD1 3.22Å; T423-I427 WeakPolarHBondContact O-CD1 3.49Å; T423-I427 WeakPolarHBondContact O-CG1 3.46Å
424	I	75.1	Confident	70.8	Confident	126 Å²	126	101.2 Å²	101.2	65%	0.646	52%	0.517	S	S	*	.	H	α-helix	trans	-68.1	-35.5	178.3	-65.4	170.2	0	0	0	111.8	I420 I422	I420-I424 HydrophobicContact CG2-CD1 4.03Å; I420-I424 WeakPolarHBondContact O-CG1 3.42Å; I420-I424 PolarHBondContact O-N 3.2Å; I422-I424 PolarHBondContact O-N 2.85Å
425	S	72.4	Confident	71.2	Confident	67 Å²	67	101.5 Å²	101.5	47%	0.469	52%	0.518	S	S	.	.	H	α-helix	trans	-88.8	-30.1	-174.8	-157.6	0	0	0	0	114.3	F421 I422 T423	F421-S425 PolarHBondContact O-N 2.98Å; I422-S425 PolarHBondContact O-N 3.14Å; T423-S425 PolarHBondContact O-N 3.42Å
426	T	71.7	Confident	70.8	Confident	54 Å²	54	104.1 Å²	104.1	33%	0.331	53%	0.528	S	S	.	.	H	α-helix	trans	-87.5	-29.9	-173.5	55.3	0	0	0	0	114.6	I422 L429 L430	I422-T426 HydrophobicContact CG2-CG2 3.78Å; I422-T426 VanDerWaalsContact O-CB 3.31Å; I422-T426 WeakPolarHBondContact O-CB 3.34Å; I422-T426 VanDerWaalsContact O-CG2 3.29Å; I422-T426 WeakPolarHBondContact O-CG2 3.21Å; I422-T426 PolarHBondContact O-N 3.41Å; I422-T426 PolarHBondContact O-OG1 3.28Å; T426-L429 PolarHBondContact O-N 3.37Å; T426-L430 WeakPolarHBondContact O-CB 3.08Å; T426-L430 PolarHBondContact O-N 2.86Å
427	I	73.5	Confident	70.2	Confident	110 Å²	110	103.4 Å²	103.4	56%	0.564	53%	0.525	S	S	*	.	H	α-helix	trans	-58.7	-43.4	-178.8	-67.9	170.6	0	0	0	112.3	T423 L431	T423-I427 VanDerWaalsContact O-CD1 3.22Å; T423-I427 WeakPolarHBondContact O-CD1 3.49Å; T423-I427 WeakPolarHBondContact O-CG1 3.46Å; I427-L431 PolarHBondContact O-N 3.08Å
428	P	70	Confident	69.4	Low	72 Å²	72	100.9 Å²	100.9	47%	0.468	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-38.9	177.1	-19.5	32	0	0	0	113.4	L431 I432	P428-L431 PolarHBondContact O-N 3.4Å; P428-I432 WeakPolarHBondContact O-CG1 3.31Å; P428-I432 PolarHBondContact O-N 2.78Å
429	L	71.6	Confident	68	Low	116 Å²	116	107.3 Å²	107.3	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-70.1	-40.7	-178.5	-75.6	166.5	0	0	0	112.1	T426 L431 I432 Y433	T426-L429 PolarHBondContact O-N 3.37Å; L429-L431 VanDerWaalsContact C-N 3.3Å; L429-L431 PolarHBondContact O-N 2.8Å; L429-I432 PolarHBondContact O-N 3.37Å; L429-Y433 WeakPolarHBondContact O-CB 3.35Å; L429-Y433 PolarHBondContact O-N 2.65Å
430	L	71.9	Confident	66.4	Low	99 Å²	99	112.5 Å²	112.5	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-37.8	173.4	-93.2	150.8	0	0	0	111.8	T426 Y433 C434	T426-L430 WeakPolarHBondContact O-CB 3.08Å; T426-L430 PolarHBondContact O-N 2.86Å; L430-Y433 PolarHBondContact O-N 3.06Å; L430-C434 WeakPolarHBondContact O-CB 2.89Å; L430-C434 PolarHBondContact O-N 2.82Å; L430-C434 PolarHBondContact O-SG 3.29Å
431	L	74.9	Confident	64.5	Low	112 Å²	112	111.4 Å²	111.4	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-66	-42.6	178.3	-151.5	110.7	0	0	0	111.6	I427 P428 L429 C434 I435	I427-L431 PolarHBondContact O-N 3.08Å; P428-L431 PolarHBondContact O-N 3.4Å; L429-L431 VanDerWaalsContact C-N 3.3Å; L429-L431 PolarHBondContact O-N 2.8Å; L431-C434 PolarHBondContact O-N 2.69Å; L431-I435 HydrophobicContact CD2-CD1 4.19Å; L431-I435 WeakPolarHBondContact O-CD1 3.47Å; L431-I435 VanDerWaalsContact O-CG1 3.27Å; L431-I435 WeakPolarHBondContact O-CG1 3.35Å; L431-I435 PolarHBondContact O-N 3.37Å; L431-I435 VanDerWaalsContact O-N 3.09Å
432	I	74.7	Confident	62.4	Low	97 Å²	97	111.2 Å²	111.2	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-65.4	-42	176.6	-65.8	167.3	0	0	0	110.9	P428 L429 I435 Q436	P428-I432 WeakPolarHBondContact O-CG1 3.31Å; P428-I432 PolarHBondContact O-N 2.78Å; L429-I432 PolarHBondContact O-N 3.37Å; I432-I435 PolarHBondContact O-N 3.12Å; I432-Q436 PolarHBondContact O-N 2.79Å
433	Y	71.6	Confident	60.2	Low	144 Å²	144	114.5 Å²	114.5	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-43.3	177.2	-174.5	-109.8	0	0	0	112.2	L429 L430 I435 Q436 I437	L429-Y433 WeakPolarHBondContact O-CB 3.35Å; L429-Y433 PolarHBondContact O-N 2.65Å; L430-Y433 PolarHBondContact O-N 3.06Å; Y433-I435 VanDerWaalsContact C-N 3.32Å; Y433-I435 PolarHBondContact O-N 3.1Å; Y433-Q436 PolarHBondContact O-N 3.41Å; Y433-I437 HydrophobicContact CD1-CD1 3.73Å; Y433-I437 HydrophobicContact CE1-CD1 3.18Å; Y433-I437 HydrophobicContact CE1-CG1 4.2Å; Y433-I437 HydrophobicContact CE2-CD1 4.25Å; Y433-I437 HydrophobicContact CG-CD1 4.46Å; Y433-I437 VanDerWaalsContact CZ-CD1 3.48Å; Y433-I437 PolarHBondContact O-N 3.26Å
434	C	65.7	Low	58.2	Low	75 Å²	75	118.2 Å²	118.2	51%	0.507	59%	0.592	S	S	.	*	H	α-helix	trans	-60.4	-39.1	174.2	-75.8	0	0	0	0	112.4	L430 L431 R438	L430-C434 WeakPolarHBondContact O-CB 2.89Å; L430-C434 PolarHBondContact O-N 2.82Å; L430-C434 PolarHBondContact O-SG 3.29Å; L431-C434 PolarHBondContact O-N 2.69Å; C434-R438 WeakPolarHBondContact O-CB 3.36Å; C434-R438 PolarHBondContact O-N 3.47Å; C434-R438 VanDerWaalsContact O-N 3.17Å
435	I	70.3	Confident	56.2	Low	104 Å²	104	116 Å²	116	53%	0.533	58%	0.584	S	S	.	*	H	α-helix	trans	-66.1	-38.9	176.2	-67.9	164.6	0	0	0	111	L431 I432 Y433	L431-I435 HydrophobicContact CD2-CD1 4.19Å; L431-I435 WeakPolarHBondContact O-CD1 3.47Å; L431-I435 VanDerWaalsContact O-CG1 3.27Å; L431-I435 WeakPolarHBondContact O-CG1 3.35Å; L431-I435 PolarHBondContact O-N 3.37Å; L431-I435 VanDerWaalsContact O-N 3.09Å; I432-I435 PolarHBondContact O-N 3.12Å; Y433-I435 VanDerWaalsContact C-N 3.32Å; Y433-I435 PolarHBondContact O-N 3.1Å
436	Q	55.2	Low	54.3	Low	134 Å²	134	114.8 Å²	114.8	63%	0.626	57%	0.572	S	S	*	*	H	α-helix	trans	-70.2	-41.9	178.6	-78.7	-174.3	-16.7	0	0	113.3	I432 Y433 R438 R439	I432-Q436 PolarHBondContact O-N 2.79Å; Y433-Q436 PolarHBondContact O-N 3.41Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 3.3Å; Q436-R439 PolarHBondContact O-N 3.22Å
437	I	57.7	Low	52.6	Low	86 Å²	86	116.3 Å²	116.3	44%	0.441	59%	0.585	S	S	.	*	H	α-helix	trans	-60.3	-43.8	175.5	-73.8	177	0	0	0	110.5	Y433 R439 K440	Y433-I437 HydrophobicContact CD1-CD1 3.73Å; Y433-I437 HydrophobicContact CE1-CD1 3.18Å; Y433-I437 HydrophobicContact CE1-CG1 4.2Å; Y433-I437 HydrophobicContact CE2-CD1 4.25Å; Y433-I437 HydrophobicContact CG-CD1 4.46Å; Y433-I437 VanDerWaalsContact CZ-CD1 3.48Å; Y433-I437 PolarHBondContact O-N 3.26Å; I437-R439 PolarHBondContact O-N 2.81Å; I437-R439 VanDerWaalsContact O-N 3.12Å; I437-K440 PolarHBondContact O-N 2.74Å
438	R	46.6	Very low	51	Low	146 Å²	146	113.2 Å²	113.2	55%	0.551	57%	0.569	S	S	*	*	H	α-helix	trans	-62.9	-22.9	-176.6	-152.7	175.8	-175.3	141.9	0.2	113.5	C434 Q436	C434-R438 WeakPolarHBondContact O-CB 3.36Å; C434-R438 PolarHBondContact O-N 3.47Å; C434-R438 VanDerWaalsContact O-N 3.17Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 3.3Å
439	R	43.7	Very low	49.5	Very low	220 Å²	220	111.7 Å²	111.7	83%	0.83	56%	0.559	S	S	*	*	H	α-helix	trans	-80	-22.9	176	-96.8	-174.7	166.2	-177.2	-3.4	114.2	Q436 I437	Q436-R439 PolarHBondContact O-N 3.22Å; I437-R439 PolarHBondContact O-N 2.81Å; I437-R439 VanDerWaalsContact O-N 3.12Å
440	K	37.5	Very low	48	Very low	201 Å²	201	108 Å²	108	87%	0.874	54%	0.54	S	S	*	.	H	α-helix	trans	-94.6	-15.6	-176	-92.3	-172.8	172.8	-175.2	0	114.8	I437	I437-K440 PolarHBondContact O-N 2.74Å
441	S	34.5	Very low	46.3	Very low	63 Å²	63	107.2 Å²	107.2	44%	0.441	54%	0.536	S	S	.	.			trans	-102.9	36.7	-171	71.8	0	0	0	0	115.1	Q443	S441-Q443 PolarHBondContact O-N 3.02Å
442	M	27.6	Very low	44.5	Very low	156 Å²	156	102.6 Å²	102.6	77%	0.768	51%	0.511	S	S	*	.			trans	-76.7	58.6	169.6	-76.3	-73.8	-170.6	0	0	111	P503	M442-P503 HydrophobicContact CE-CG 3.91Å
443	Q	28.2	Very low	42.5	Very low	159 Å²	159	104.1 Å²	104.1	74%	0.743	52%	0.52	S	S	*	.			trans	-112.8	137.6	167.8	-85.9	-178.8	-19.7	0	0	109.8	S441 V445	S441-Q443 PolarHBondContact O-N 3.02Å; Q443-V445 PolarHBondContact O-N 2.94Å
444	T	28.8	Very low	40.8	Very low	141 Å²	141	100.6 Å²	100.6	87%	0.865	51%	0.511	S	S	*	.			trans	-51.4	113.1	-167	-36.4	0	0	0	0	112.7	L446	T444-L446 PolarHBondContact O-N 3.37Å
445	V	31.4	Very low	39.4	Very low	80 Å²	80	106 Å²	106	49%	0.485	53%	0.526	S	S	.	.			trans	-78.5	110.3	175.9	179.1	0	0	0	0	109.2	Q443 S447	Q443-V445 PolarHBondContact O-N 2.94Å; V445-S447 PolarHBondContact O-N 3.26Å
446	L	32.3	Very low	37.9	Very low	42 Å²	42	107.4 Å²	107.4	22%	0.22	53%	0.53	C	S	.	.			trans	-78.5	106.3	169.9	-170.7	85.8	0	0	0	109.3	T444 I448 L480 Q559	T444-L446 PolarHBondContact O-N 3.37Å; L446-I448 HydrophobicContact CD2-CD1 3.73Å; L446-I448 HydrophobicContact CD2-CG1 3.72Å; L446-I448 HydrophobicContact CG-CG1 4.02Å; L446-L480 HydrophobicContact CB-CD1 4.31Å; L446-L480 HydrophobicContact CB-CD2 3.63Å; L446-Q559 HydrophobicContact CD1-CG 4.18Å; L446-Q559 HydrophobicContact CD2-CG 3.57Å
447	S	36.3	Very low	37.2	Very low	85 Å²	85	101.2 Å²	101.2	59%	0.594	50%	0.502	S	S	*	.			trans	-92.7	98.4	167.5	-70.9	0	0	0	0	108.9	V445 P449	V445-S447 PolarHBondContact O-N 3.26Å; S447-P449 WeakPolarHBondContact O-CD 3.49Å
448	I	40.9	Very low	36.3	Very low	45 Å²	45	104 Å²	104	23%	0.231	51%	0.511	C	S	.	.			trans	-84.3	113.8	165.1	-57.7	175.6	0	0	0	106.4	L446 I450	L446-I448 HydrophobicContact CD2-CD1 3.73Å; L446-I448 HydrophobicContact CD2-CG1 3.72Å; L446-I448 HydrophobicContact CG-CG1 4.02Å; I448-I450 HydrophobicContact CG2-CG1 4.08Å; I448-I450 PolarHBondContact O-N 3.13Å
449	P	38.9	Very low	36.1	Very low	40 Å²	40	97.7 Å²	97.7	26%	0.26	49%	0.489	S	S	.	.			trans	-68.6	100.6	171.1	28.3	-30.9	0	0	0	107.6	S447 D451 T526 L529 T530	S447-P449 WeakPolarHBondContact O-CD 3.49Å; P449-D451 VanDerWaalsContact C-N 3.3Å; P449-D451 PolarHBondContact O-N 3.1Å; P449-T526 HydrophobicContact CB-CG2 3.75Å; P449-T526 HydrophobicContact CG-CG2 3.82Å; P449-L529 HydrophobicContact CG-CB 4.44Å; P449-T530 PolarHBondContact O-OG1 3.47Å; P449-T530 VanDerWaalsContact O-OG1 3.05Å
450	I	38.6	Very low	36	Very low	38 Å²	38	91.3 Å²	91.3	20%	0.195	47%	0.467	C	S	.	.			trans	-91.1	79.8	164.1	-43.2	177.9	0	0	0	105.5	I448 F452 V464 I468	I448-I450 HydrophobicContact CG2-CG1 4.08Å; I448-I450 PolarHBondContact O-N 3.13Å; I450-F452 HydrophobicContact CB-CD2 4.37Å; I450-F452 HydrophobicContact CB-CE2 3.73Å; I450-F452 HydrophobicContact CB-CZ 4.32Å; I450-F452 HydrophobicContact CG2-CD2 3.84Å; I450-F452 HydrophobicContact CG2-CE1 4.1Å; I450-F452 HydrophobicContact CG2-CE2 3.14Å; I450-F452 HydrophobicContact CG2-CZ 3.32Å; I450-F452 VanDerWaalsContact O-CD2 3.27Å; I450-F452 WeakPolarHBondContact O-CD2 3.25Å; I450-F452 PolarHBondContact O-N 3.49Å; I450-F452 VanDerWaalsContact O-N 3.12Å; I450-V464 HydrophobicContact CD1-CG1 3.78Å; I450-I468 HydrophobicContact CD1-CD1 4.15Å
451	D	36.9	Very low	36.3	Very low	84 Å²	84	85.4 Å²	85.4	45%	0.449	44%	0.439	S	S	.	.			trans	-77.7	98.8	174.7	-151	-6.3	0	0	0	107.8	P449 L453 T530 Q534	P449-D451 VanDerWaalsContact C-N 3.3Å; P449-D451 PolarHBondContact O-N 3.1Å; D451-L453 PolarHBondContact O-N 3.41Å; D451-T530 HydrophobicContact CB-CG2 3.89Å; D451-T530 PolarHBondContact N-OG1 2.91Å; D451-T530 WeakPolarHBondContact O-CG2 3.11Å; D451-Q534 PolarHBondContact O-NE2 2.05Å
452	F	37.1	Very low	36.8	Very low	14 Å²	14	86 Å²	86	6%	0.061	44%	0.44	C	S	.	.			trans	-69.6	89.9	169	-63	-96.2	0	0	0	105.4	I450 D454 A457 K460 R461 V464	I450-F452 HydrophobicContact CB-CD2 4.37Å; I450-F452 HydrophobicContact CB-CE2 3.73Å; I450-F452 HydrophobicContact CB-CZ 4.32Å; I450-F452 HydrophobicContact CG2-CD2 3.84Å; I450-F452 HydrophobicContact CG2-CE1 4.1Å; I450-F452 HydrophobicContact CG2-CE2 3.14Å; I450-F452 HydrophobicContact CG2-CZ 3.32Å; I450-F452 VanDerWaalsContact O-CD2 3.27Å; I450-F452 WeakPolarHBondContact O-CD2 3.25Å; I450-F452 PolarHBondContact O-N 3.49Å; I450-F452 VanDerWaalsContact O-N 3.12Å; F452-D454 CarbonylContact O-C 3.48Å; F452-D454 VanDerWaalsContact O-C 3.23Å; F452-D454 PolarHBondContact O-N 2.85Å; F452-D454 VanDerWaalsContact O-O 3.13Å; F452-A457 HydrophobicContact CB-CB 4.39Å; F452-A457 HydrophobicContact CD1-CB 4.38Å; F452-K460 HydrophobicContact CD1-CB 4.09Å; F452-K460 VanDerWaalsContact CE1-C 3.43Å; F452-K460 HydrophobicContact CE1-CB 3.79Å; F452-R461 HydrophobicContact CB-CG 4.41Å; F452-R461 HydrophobicContact CD1-CG 3.91Å; F452-R461 HydrophobicContact CD2-CB 4.38Å; F452-R461 HydrophobicContact CD2-CG 3.06Å; F452-R461 HydrophobicContact CE1-CB 4.39Å; F452-R461 HydrophobicContact CE1-CG 3.86Å; F452-R461 VanDerWaalsContact CE1-N 3.32Å; F452-R461 HydrophobicContact CE2-CB 4.03Å; F452-R461 HydrophobicContact CE2-CG 3Å; F452-R461 HydrophobicContact CG-CG 3.52Å; F452-R461 HydrophobicContact CZ-CB 4.02Å; F452-R461 HydrophobicContact CZ-CG 3.42Å; F452-R461 VanDerWaalsContact CZ-CG 3.42Å; F452-V464 HydrophobicContact CZ-CB 4.43Å; F452-V464 HydrophobicContact CZ-CG2 4.49Å
453	L	33.3	Very low	37.8	Very low	130 Å²	130	80 Å²	80	68%	0.681	41%	0.411	S	S	*	.	S	Bend	trans	-52.4	-13.1	177.8	-82.9	168	0	0	0	112.3	D451	D451-L453 PolarHBondContact O-N 3.41Å
454	D	35.1	Very low	38.9	Very low	70 Å²	70	72.5 Å²	72.5	37%	0.374	38%	0.376	S	S	.	.			trans	-95.7	111.1	163.2	-160.8	-13.8	0	0	0	112.5	L105 F452 H456 A457 R461	L105-D454 WeakPolarHBondContact CD1-OD2 3.33Å; F452-D454 CarbonylContact O-C 3.48Å; F452-D454 VanDerWaalsContact O-C 3.23Å; F452-D454 PolarHBondContact O-N 2.85Å; F452-D454 VanDerWaalsContact O-O 3.13Å; D454-H456 PolarHBondContact O-N 3.29Å; D454-H456 VanDerWaalsContact O-N 3.09Å; D454-H456 VanDerWaalsContact OD1-CB 3.29Å; D454-H456 WeakPolarHBondContact OD1-CB 3.48Å; D454-H456 IonicContact OD1-CD2 3.26Å; D454-H456 PolarHBondContact OD1-CD2 3.45Å; D454-H456 IonicContact OD1-CG 2.72Å; D454-H456 PolarHBondContact OD1-N 3.41Å; D454-A457 HydrophobicContact CB-CB 3.86Å; D454-A457 PolarHBondContact O-N 3.5Å; D454-R461 PolarHBondContact O-NH2 3.16Å; D454-R461 VanDerWaalsContact O-NH2 3.11Å
455	K	37.4	Very low	39.9	Very low	189 Å²	189	68.8 Å²	68.8	82%	0.822	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.1	170.1	-80.1	-179.8	178.3	173.6	0	112.2
456	H	37.1	Very low	40.7	Very low	132 Å²	132	72.1 Å²	72.1	61%	0.611	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-13.1	178.5	-61.2	-83.2	0	0	0	112.9	L105 D454 K458	L105-H456 WeakPolarHBondContact CB-O 3.22Å; L105-H456 HydrophobicContact CD1-CB 3.64Å; L105-H456 WeakPolarHBondContact CD1-O 3.44Å; L105-H456 HydrophobicContact CG-CB 4.29Å; D454-H456 PolarHBondContact O-N 3.29Å; D454-H456 VanDerWaalsContact O-N 3.09Å; D454-H456 VanDerWaalsContact OD1-CB 3.29Å; D454-H456 WeakPolarHBondContact OD1-CB 3.48Å; D454-H456 IonicContact OD1-CD2 3.26Å; D454-H456 PolarHBondContact OD1-CD2 3.45Å; D454-H456 IonicContact OD1-CG 2.72Å; D454-H456 PolarHBondContact OD1-N 3.41Å; H456-K458 PolarHBondContact O-N 3.07Å
457	A	42	Very low	41.6	Very low	5 Å²	5	71.1 Å²	71.1	4%	0.041	35%	0.346	C	S	.	.			trans	-83.6	46.4	-168.4	0	0	0	0	0	113.6	L105 F452 D454 S459 K460 R461	L105-A457 VanDerWaalsContact CD1-CA 3.5Å; L105-A457 HydrophobicContact CD1-CB 3.79Å; F452-A457 HydrophobicContact CB-CB 4.39Å; F452-A457 HydrophobicContact CD1-CB 4.38Å; D454-A457 HydrophobicContact CB-CB 3.86Å; D454-A457 PolarHBondContact O-N 3.5Å; A457-S459 PolarHBondContact O-N 2.89Å; A457-K460 HydrophobicContact CB-CB 4.48Å; A457-R461 PolarHBondContact O-N 3.35Å
458	K	37.6	Very low	42.3	Very low	145 Å²	145	68 Å²	68	63%	0.63	32%	0.322	S	S	*	.	H	α-helix	trans	-58.2	-27.6	-179.4	-114	-178.3	-180	-179.3	0	113.4	H456 R461 V462	H456-K458 PolarHBondContact O-N 3.07Å; K458-R461 WeakPolarHBondContact O-CB 3.45Å; K458-V462 WeakPolarHBondContact O-CG2 3.4Å; K458-V462 PolarHBondContact O-N 2.85Å
459	S	42.4	Very low	42.5	Very low	12 Å²	12	70.1 Å²	70.1	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-94.9	-29.7	-178.3	-161.6	0	0	0	0	116.1	Y106 A457 R461 V462 D463	Y106-S459 VanDerWaalsContact CA-CB 3.48Å; Y106-S459 WeakPolarHBondContact CB-OG 3.38Å; Y106-S459 WeakPolarHBondContact CD2-OG 3.48Å; Y106-S459 VanDerWaalsContact N-CB 3.3Å; A457-S459 PolarHBondContact O-N 2.89Å; S459-R461 PolarHBondContact O-N 3.38Å; S459-V462 PolarHBondContact O-N 2.86Å; S459-D463 PolarHBondContact O-N 3.5Å
460	K	42.6	Very low	43	Very low	86 Å²	86	72.2 Å²	72.2	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-57.1	-35	164.6	-69.9	-175.4	-179.8	177.4	0	109.6	F452 A457 V464	F452-K460 HydrophobicContact CD1-CB 4.09Å; F452-K460 VanDerWaalsContact CE1-C 3.43Å; F452-K460 HydrophobicContact CE1-CB 3.79Å; A457-K460 HydrophobicContact CB-CB 4.48Å; K460-V464 WeakPolarHBondContact O-CB 3.23Å; K460-V464 WeakPolarHBondContact O-CG2 3.18Å; K460-V464 PolarHBondContact O-N 2.75Å; K460-V464 VanDerWaalsContact O-N 3.1Å
461	R	42.9	Very low	43.3	Very low	77 Å²	77	71.8 Å²	71.8	29%	0.291	34%	0.341	S	S	.	.	H	α-helix	trans	-54.1	-63.6	165.2	-87.4	175.2	-112.5	-173.1	-1.2	111.9	F452 D454 A457 K458 S459 D463 V464 F465	F452-R461 HydrophobicContact CB-CG 4.41Å; F452-R461 HydrophobicContact CD1-CG 3.91Å; F452-R461 HydrophobicContact CD2-CB 4.38Å; F452-R461 HydrophobicContact CD2-CG 3.06Å; F452-R461 HydrophobicContact CE1-CB 4.39Å; F452-R461 HydrophobicContact CE1-CG 3.86Å; F452-R461 VanDerWaalsContact CE1-N 3.32Å; F452-R461 HydrophobicContact CE2-CB 4.03Å; F452-R461 HydrophobicContact CE2-CG 3Å; F452-R461 HydrophobicContact CG-CG 3.52Å; F452-R461 HydrophobicContact CZ-CB 4.02Å; F452-R461 HydrophobicContact CZ-CG 3.42Å; F452-R461 VanDerWaalsContact CZ-CG 3.42Å; D454-R461 PolarHBondContact O-NH2 3.16Å; D454-R461 VanDerWaalsContact O-NH2 3.11Å; A457-R461 PolarHBondContact O-N 3.35Å; K458-R461 WeakPolarHBondContact O-CB 3.45Å; S459-R461 PolarHBondContact O-N 3.38Å; R461-D463 VanDerWaalsContact C-N 3.31Å; R461-D463 PolarHBondContact O-N 3Å; R461-V464 PolarHBondContact O-N 2.95Å; R461-F465 HydrophobicContact CB-CD2 4.22Å; R461-F465 HydrophobicContact CB-CE2 4.32Å; R461-F465 HydrophobicContact CG-CE2 4.42Å; R461-F465 WeakPolarHBondContact O-CB 3.48Å; R461-F465 WeakPolarHBondContact O-CD2 3.45Å; R461-F465 PolarHBondContact O-N 2.91Å
462	V	46	Very low	43.6	Very low	75 Å²	75	69.9 Å²	69.9	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-39.8	-175.2	173.2	0	0	0	0	112.4	K458 S459 F465 R466	K458-V462 WeakPolarHBondContact O-CG2 3.4Å; K458-V462 PolarHBondContact O-N 2.85Å; S459-V462 PolarHBondContact O-N 2.86Å; V462-F465 PolarHBondContact O-N 2.92Å; V462-R466 WeakPolarHBondContact O-CB 3.25Å; V462-R466 PolarHBondContact O-N 3.21Å
463	D	48.6	Very low	43.8	Very low	31 Å²	31	74.5 Å²	74.5	17%	0.166	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-45.6	177.8	-168.1	51.6	0	0	0	111.8	Y106 S459 R461 R466 K467	Y106-D463 HydrophobicContact CD2-CB 4.46Å; Y106-D463 HydrophobicContact CE2-CB 3.84Å; S459-D463 PolarHBondContact O-N 3.5Å; R461-D463 VanDerWaalsContact C-N 3.31Å; R461-D463 PolarHBondContact O-N 3Å; D463-R466 PolarHBondContact O-N 3.41Å; D463-K467 WeakPolarHBondContact O-CB 3.29Å; D463-K467 VanDerWaalsContact O-CG 3.29Å; D463-K467 WeakPolarHBondContact O-CG 3.14Å; D463-K467 PolarHBondContact O-N 3.38Å; D463-K467 WeakPolarHBondContact OD2-CE 3.19Å; D463-K467 IonicContact OD2-NZ 2.82Å; D463-K467 PolarHBondContact OD2-NZ 3.02Å
464	V	50.3	Low	44	Very low	2 Å²	2	73.5 Å²	73.5	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-43.8	173.6	172.4	0	0	0	0	110.9	I450 F452 K460 R461 R466 K467 I468 L537 C538	I450-V464 HydrophobicContact CD1-CG1 3.78Å; F452-V464 HydrophobicContact CZ-CB 4.43Å; F452-V464 HydrophobicContact CZ-CG2 4.49Å; K460-V464 WeakPolarHBondContact O-CB 3.23Å; K460-V464 WeakPolarHBondContact O-CG2 3.18Å; K460-V464 PolarHBondContact O-N 2.75Å; K460-V464 VanDerWaalsContact O-N 3.1Å; R461-V464 PolarHBondContact O-N 2.95Å; V464-R466 PolarHBondContact O-N 3.45Å; V464-K467 PolarHBondContact O-N 2.94Å; V464-I468 HydrophobicContact CG1-CD1 3.57Å; V464-I468 HydrophobicContact CG1-CG1 4.25Å; V464-I468 VanDerWaalsContact O-CB 3.28Å; V464-I468 WeakPolarHBondContact O-CB 3.48Å; V464-I468 WeakPolarHBondContact O-CG1 3.19Å; V464-I468 PolarHBondContact O-N 3.42Å; V464-L537 HydrophobicContact CG1-CB 4.31Å; V464-L537 HydrophobicContact CG1-CD1 3.9Å; V464-L537 HydrophobicContact CG2-CB 4.1Å; V464-C538 WeakPolarHBondContact CG2-SG 3.49Å
465	F	49.6	Very low	44.1	Very low	63 Å²	63	75 Å²	75	28%	0.276	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-41.5	174.8	-84.5	-71.3	0	0	0	112.2	R461 V462 I468 N469 L481	R461-F465 HydrophobicContact CB-CD2 4.22Å; R461-F465 HydrophobicContact CB-CE2 4.32Å; R461-F465 HydrophobicContact CG-CE2 4.42Å; R461-F465 WeakPolarHBondContact O-CB 3.48Å; R461-F465 WeakPolarHBondContact O-CD2 3.45Å; R461-F465 PolarHBondContact O-N 2.91Å; V462-F465 PolarHBondContact O-N 2.92Å; F465-I468 PolarHBondContact O-N 3.47Å; F465-N469 VanDerWaalsContact O-CB 3.22Å; F465-N469 WeakPolarHBondContact O-CB 3.31Å; F465-N469 PolarHBondContact O-N 2.85Å; F465-N469 PolarHBondContact O-ND2 3.37Å; F465-L481 HydrophobicContact CD1-CD1 3.8Å; F465-L481 HydrophobicContact CD1-CD2 4.18Å; F465-L481 HydrophobicContact CE1-CD1 3.85Å; F465-L481 HydrophobicContact CE1-CD2 3.64Å; F465-L481 HydrophobicContact CE1-CG 4.29Å
466	R	48.9	Very low	43.9	Very low	149 Å²	149	74.1 Å²	74.1	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-66.6	-44.6	177.5	-174.5	-176.9	-93	151.1	-8.9	110.6	V462 D463 V464 N469 L470	V462-R466 WeakPolarHBondContact O-CB 3.25Å; V462-R466 PolarHBondContact O-N 3.21Å; D463-R466 PolarHBondContact O-N 3.41Å; V464-R466 PolarHBondContact O-N 3.45Å; R466-N469 PolarHBondContact O-N 3.04Å; R466-L470 HydrophobicContact CG-CD1 4.38Å; R466-L470 WeakPolarHBondContact O-CB 3.13Å; R466-L470 VanDerWaalsContact O-CG 3.3Å; R466-L470 WeakPolarHBondContact O-CG 3.31Å; R466-L470 PolarHBondContact O-N 3.37Å
467	K	50.8	Low	43.8	Very low	21 Å²	21	72.6 Å²	72.6	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.6	-81.7	172.1	174.4	166.6	0	112.1	D463 V464 L470 L471 L537 Q539 L551	D463-K467 WeakPolarHBondContact O-CB 3.29Å; D463-K467 VanDerWaalsContact O-CG 3.29Å; D463-K467 WeakPolarHBondContact O-CG 3.14Å; D463-K467 PolarHBondContact O-N 3.38Å; D463-K467 WeakPolarHBondContact OD2-CE 3.19Å; D463-K467 IonicContact OD2-NZ 2.82Å; D463-K467 PolarHBondContact OD2-NZ 3.02Å; V464-K467 PolarHBondContact O-N 2.94Å; K467-L470 WeakPolarHBondContact O-CB 3.28Å; K467-L470 PolarHBondContact O-N 3.45Å; K467-L471 PolarHBondContact O-N 3.34Å; K467-L471 VanDerWaalsContact O-N 3.13Å; K467-L537 PolarHBondContact NZ-O 3.42Å; K467-Q539 PolarHBondContact NZ-O 2.75Å; K467-L551 HydrophobicContact CB-CD2 3.59Å; K467-L551 HydrophobicContact CG-CD2 4.21Å; K467-L551 VanDerWaalsContact O-CD2 3.32Å; K467-L551 WeakPolarHBondContact O-CD2 3.29Å
468	I	50.4	Low	43.2	Very low	19 Å²	19	80.7 Å²	80.7	10%	0.097	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-42.8	174.8	-71.8	171.4	0	0	0	110.9	I450 V464 F465 L470 L471 Y472 L537	I450-I468 HydrophobicContact CD1-CD1 4.15Å; V464-I468 HydrophobicContact CG1-CD1 3.57Å; V464-I468 HydrophobicContact CG1-CG1 4.25Å; V464-I468 VanDerWaalsContact O-CB 3.28Å; V464-I468 WeakPolarHBondContact O-CB 3.48Å; V464-I468 WeakPolarHBondContact O-CG1 3.19Å; V464-I468 PolarHBondContact O-N 3.42Å; F465-I468 PolarHBondContact O-N 3.47Å; I468-L470 VanDerWaalsContact C-N 3.32Å; I468-L470 PolarHBondContact O-N 2.77Å; I468-L471 WeakPolarHBondContact O-CB 3.01Å; I468-L471 PolarHBondContact O-N 2.76Å; I468-Y472 HydrophobicContact CG2-CD2 3.7Å; I468-Y472 HydrophobicContact CG2-CE2 3.81Å; I468-Y472 WeakPolarHBondContact O-CD2 3.39Å; I468-Y472 PolarHBondContact O-N 3.23Å; I468-Y472 VanDerWaalsContact O-N 3.16Å; I468-L537 HydrophobicContact CD1-CD1 4.43Å
469	N	46.8	Very low	42.9	Very low	91 Å²	91	79.6 Å²	79.6	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-34.7	176.7	-76.3	-24.3	0	0	0	112.3	F465 R466 Y472 T473	F465-N469 VanDerWaalsContact O-CB 3.22Å; F465-N469 WeakPolarHBondContact O-CB 3.31Å; F465-N469 PolarHBondContact O-N 2.85Å; F465-N469 PolarHBondContact O-ND2 3.37Å; R466-N469 PolarHBondContact O-N 3.04Å; N469-Y472 PolarHBondContact O-N 2.75Å; N469-T473 PolarHBondContact O-N 2.94Å
470	L	47.8	Very low	42.2	Very low	83 Å²	83	81.2 Å²	81.2	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-63.5	-40.5	172.9	-78.4	163.8	0	0	0	111.7	R466 K467 I468 Y472 T473	R466-L470 HydrophobicContact CG-CD1 4.38Å; R466-L470 WeakPolarHBondContact O-CB 3.13Å; R466-L470 VanDerWaalsContact O-CG 3.3Å; R466-L470 WeakPolarHBondContact O-CG 3.31Å; R466-L470 PolarHBondContact O-N 3.37Å; K467-L470 WeakPolarHBondContact O-CB 3.28Å; K467-L470 PolarHBondContact O-N 3.45Å; I468-L470 VanDerWaalsContact C-N 3.32Å; I468-L470 PolarHBondContact O-N 2.77Å; L470-Y472 VanDerWaalsContact C-N 3.31Å; L470-Y472 PolarHBondContact O-N 3.37Å; L470-T473 PolarHBondContact O-OG1 3.47Å
471	L	46.1	Very low	41.5	Very low	30 Å²	30	81.4 Å²	81.4	16%	0.157	41%	0.405	C	S	.	.	H	α-helix	trans	-62.2	-36.6	174.3	-75.7	174.5	0	0	0	113.4	K467 I468 H548 L551 R552 V555	K467-L471 PolarHBondContact O-N 3.34Å; K467-L471 VanDerWaalsContact O-N 3.13Å; I468-L471 WeakPolarHBondContact O-CB 3.01Å; I468-L471 PolarHBondContact O-N 2.76Å; L471-H548 WeakPolarHBondContact CD2-O 3.19Å; L471-L551 HydrophobicContact CD1-CB 4.23Å; L471-L551 HydrophobicContact CD1-CD2 3.57Å; L471-L551 HydrophobicContact CD1-CG 3.54Å; L471-L551 HydrophobicContact CD2-CB 4.14Å; L471-L551 HydrophobicContact CD2-CD2 4.15Å; L471-L551 HydrophobicContact CD2-CG 4.29Å; L471-L551 HydrophobicContact CG-CB 4.39Å; L471-L551 HydrophobicContact CG-CD2 3.59Å; L471-L551 HydrophobicContact CG-CG 3.99Å; L471-R552 HydrophobicContact CD2-CB 3.71Å; L471-V555 HydrophobicContact CD1-CG2 3.82Å
472	Y	43.3	Very low	40.7	Very low	44 Å²	44	85.6 Å²	85.6	17%	0.173	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	28.9	-173.7	-67.1	-59.5	0	0	0	113.6	I468 N469 L470 N474 H477	I468-Y472 HydrophobicContact CG2-CD2 3.7Å; I468-Y472 HydrophobicContact CG2-CE2 3.81Å; I468-Y472 WeakPolarHBondContact O-CD2 3.39Å; I468-Y472 PolarHBondContact O-N 3.23Å; I468-Y472 VanDerWaalsContact O-N 3.16Å; N469-Y472 PolarHBondContact O-N 2.75Å; L470-Y472 VanDerWaalsContact C-N 3.31Å; L470-Y472 PolarHBondContact O-N 3.37Å; Y472-N474 PolarHBondContact O-N 3.24Å; Y472-H477 HydrophobicContact CD1-CB 3.28Å; Y472-H477 HydrophobicContact CE1-CB 3.56Å; Y472-H477 AromaticContact CE1-ND1 3.84Å; Y472-H477 HydrophobicContact CG-CB 4.38Å
473	T	41	Very low	39.7	Very low	111 Å²	111	90 Å²	90	68%	0.681	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.2	167.1	46.6	0	0	0	0	112.9	N469 L470	N469-T473 PolarHBondContact O-N 2.94Å; L470-T473 PolarHBondContact O-OG1 3.47Å
474	N	37.8	Very low	38.6	Very low	109 Å²	109	94.5 Å²	94.5	58%	0.583	48%	0.476	S	S	*	.	S	Bend	trans	-82.3	118.7	171.9	-142.9	-15.6	0	0	0	110.5	Y472 E476 H477	Y472-N474 PolarHBondContact O-N 3.24Å; N474-E476 PolarHBondContact O-N 2.81Å; N474-H477 PolarHBondContact O-N 2.63Å
475	P	36.9	Very low	37.2	Very low	102 Å²	102	96.6 Å²	96.6	66%	0.662	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-59.9	-21.4	-167.7	18.1	-32	0	0	0	116	H477	P475-H477 PolarHBondContact O-N 2.86Å
476	E	32.5	Very low	35.9	Very low	170 Å²	170	99.3 Å²	99.3	79%	0.794	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.5	179.2	-64.7	-152	150.5	0	0	113.9	N474	N474-E476 PolarHBondContact O-N 2.81Å
477	H	34.9	Very low	34.7	Very low	100 Å²	100	97.4 Å²	97.4	46%	0.463	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-115	14.8	-172.1	-65.3	-177.8	0	0	0	113.9	Y472 N474 P475 L479	Y472-H477 HydrophobicContact CD1-CB 3.28Å; Y472-H477 HydrophobicContact CE1-CB 3.56Å; Y472-H477 AromaticContact CE1-ND1 3.84Å; Y472-H477 HydrophobicContact CG-CB 4.38Å; N474-H477 PolarHBondContact O-N 2.63Å; P475-H477 PolarHBondContact O-N 2.86Å; H477-L479 PolarHBondContact O-N 3.13Å
478	K	31.1	Very low	33.5	Very low	174 Å²	174	101.2 Å²	101.2	76%	0.757	57%	0.57	S	S	*	*			trans	-71.7	15.5	-168.8	-142.9	177.6	-174.5	177.4	0	115.8
479	L	29.9	Very low	32.1	Very low	122 Å²	122	106.1 Å²	106.1	64%	0.639	61%	0.606	S	S	*	*			trans	-132	56.7	-166.3	-148.3	102.8	0	0	0	113.8	H477	H477-L479 PolarHBondContact O-N 3.13Å
480	L	28	Very low	31.2	Very low	46 Å²	46	107 Å²	107	24%	0.241	62%	0.619	C	S	.	*			trans	-141.3	47.2	-178.1	-77.3	178.1	0	0	0	114.5	L446	L446-L480 HydrophobicContact CB-CD1 4.31Å; L446-L480 HydrophobicContact CB-CD2 3.63Å
481	L	27.2	Very low	30	Very low	91 Å²	91	108 Å²	108	48%	0.476	63%	0.633	S	S	.	*			trans	-146.1	97.3	170.2	-70	172.8	0	0	0	111.1	F465	F465-L481 HydrophobicContact CD1-CD1 3.8Å; F465-L481 HydrophobicContact CD1-CD2 4.18Å; F465-L481 HydrophobicContact CE1-CD1 3.85Å; F465-L481 HydrophobicContact CE1-CD2 3.64Å; F465-L481 HydrophobicContact CE1-CG 4.29Å
482	H	27.5	Very low	29.1	Very low	164 Å²	164	112.7 Å²	112.7	76%	0.759	67%	0.665	S	S	*	*			trans	-106.1	123.7	163.8	-97.8	-80	0	0	0	109.6	S484	H482-S484 PolarHBondContact O-N 3.49Å
483	H	24.8	Very low	28.2	Very low	168 Å²	168	117 Å²	117	78%	0.778	70%	0.697	S	S	*	*			trans	-64	109.3	170.9	-87.4	-82.4	0	0	0	110.6	G485	H483-G485 PolarHBondContact O-N 2.94Å
484	S	24.9	Very low	27.3	Very low	125 Å²	125	117.1 Å²	117.1	87%	0.874	70%	0.702	S	S	*	*			trans	-87.2	79.5	158.3	56.2	0	0	0	0	108.9	H482	H482-S484 PolarHBondContact O-N 3.49Å
485	G	21.8	Very low	26.8	Very low	47 Å²	47	116.9 Å²	116.9	49%	0.485	71%	0.709	S	S	.	*			trans	-178.6	115.1	174	0	0	0	0	0	113.2	H483	H483-G485 PolarHBondContact O-N 2.94Å
486	S	22.2	Very low	26.1	Very low	120 Å²	120	117.3 Å²	117.3	84%	0.839	71%	0.714	S	S	*	*			trans	63.6	124.4	171.9	63.4	0	0	0	0	114.6
487	S	24	Very low	25.9	Very low	108 Å²	108	115.2 Å²	115.2	76%	0.755	72%	0.718	S	S	*	*			cis	-175.8	125.6	32.7	36.8	0	0	0	0	107.6
488	A	23.8	Very low	25.4	Very low	101 Å²	101	115.9 Å²	115.9	84%	0.835	74%	0.735	S	S	*	*			trans	-138.4	65.1	162.5	0	0	0	0	0	109	S490	A488-S490 VanDerWaalsContact C-N 3.33Å; A488-S490 PolarHBondContact O-N 3.2Å
489	S	22.9	Very low	25.1	Very low	122 Å²	122	113.3 Å²	113.3	85%	0.853	74%	0.738	S	S	*	*			trans	-85	80.6	155.9	55.4	0	0	0	0	107.8
490	S	26.2	Very low	25.1	Very low	109 Å²	109	113 Å²	113	76%	0.762	74%	0.744	S	S	*	*			trans	-140.3	128	157.5	55.6	0	0	0	0	109.4	A488	A488-S490 VanDerWaalsContact C-N 3.33Å; A488-S490 PolarHBondContact O-N 3.2Å
491	S	23.7	Very low	24.8	Very low	105 Å²	105	119.3 Å²	119.3	73%	0.734	78%	0.777	S	S	*	*			trans	-57.8	156.1	-170.2	41.6	0	0	0	0	115.2
492	P	27.3	Very low	24.7	Very low	128 Å²	128	119.1 Å²	119.1	83%	0.831	78%	0.783	S	S	*	*			trans	-82.3	128.1	-176	32.3	-31.1	0	0	0	111.8
493	T	24.1	Very low	24.7	Very low	135 Å²	135	115.7 Å²	115.7	83%	0.828	78%	0.775	S	S	*	*			trans	-125.9	127.2	160.3	48.4	0	0	0	0	110.2
494	S	23	Very low	24.7	Very low	113 Å²	113	112.7 Å²	112.7	79%	0.79	77%	0.772	S	S	*	*			trans	-46.9	137.6	173.4	49.6	0	0	0	0	115.9
495	S	25.5	Very low	24.5	Very low	105 Å²	105	112.3 Å²	112.3	73%	0.734	77%	0.765	S	S	*	*				155.4	116.4	112.3	62.8	0	0	0	0	112.7
496	S	23	Very low	24.5	Very low	111 Å²	111	118.1 Å²	118.1	78%	0.776	78%	0.783	S	S	*	*			trans	25.1	112.5	143.1	58.2	0	0	0	0	120.6
497	S	28.3	Very low	24.6	Very low	125 Å²	125	122.1 Å²	122.1	87%	0.874	78%	0.781	S	S	*	*				176.6	141.9	116.4	45.3	0	0	0	0	111.3
498	S	23.2	Very low	24.5	Very low	115 Å²	115	120 Å²	120	80%	0.804	77%	0.766	S	S	*	*			trans	-71.1	137.3	-169.5	47.4	0	0	0	0	116
499	S	26.4	Very low	24.5	Very low	120 Å²	120	127 Å²	127	84%	0.839	77%	0.771	S	S	*	*			trans	173	159.2	142.3	56.4	0	0	0	0	110.5
500	P	29	Very low	24.6	Very low	115 Å²	115	126.6 Å²	126.6	75%	0.747	77%	0.768	S	S	*	*				-100.7	141.8	-115.4	28.9	-11.9	0	0	0	116
501	L	23.1	Very low	24.7	Very low	178 Å²	178	124.2 Å²	124.2	93%	0.932	75%	0.752	S	S	*	*			trans	27.8	95.2	144.3	-65.8	159.5	0	0	0	116.8
502	S	24.5	Very low	25.2	Very low	88 Å²	88	124.6 Å²	124.6	62%	0.615	75%	0.754	S	S	*	*			trans	-102.1	127.9	159.9	68.5	0	0	0	0	109.8	C504	S502-C504 PolarHBondContact O-N 3.43Å
503	P	27.8	Very low	25.2	Very low	92 Å²	92	126.3 Å²	126.3	60%	0.597	76%	0.757	S	S	*	*	S	Bend	trans	-83.2	107.2	-180	31	-28.7	0	0	0	108.8	M442	M442-P503 HydrophobicContact CE-CG 3.91Å
504	C	23.3	Very low	25.4	Very low	104 Å²	104	124.5 Å²	124.5	70%	0.703	74%	0.741	S	S	*	*			trans	-175.8	56.4	153.3	-103.3	0	0	0	0	110.3	S502	S502-C504 PolarHBondContact O-N 3.43Å
505	T	22.7	Very low	26	Very low	118 Å²	118	121.7 Å²	121.7	72%	0.724	72%	0.721	S	S	*	*			trans	-152.8	82.4	159.6	-37.8	0	0	0	0	108.3	Y507	T505-Y507 PolarHBondContact O-N 3.22Å; T505-Y507 VanDerWaalsContact O-N 3.15Å
506	I	21.6	Very low	26.5	Very low	169 Å²	169	121.6 Å²	121.6	87%	0.867	72%	0.72	S	S	*	*			trans	-84.4	72.2	157.6	-54.6	179	0	0	0	106.6
507	Y	23.5	Very low	27.5	Very low	203 Å²	203	120.4 Å²	120.4	80%	0.796	71%	0.708	S	S	*	*				-104.2	107.1	127.9	-82.9	-80	0	0	0	103.7	T505 R509	T505-Y507 PolarHBondContact O-N 3.22Å; T505-Y507 VanDerWaalsContact O-N 3.15Å; Y507-R509 PolarHBondContact O-N 2.82Å
508	S	22.6	Very low	28.5	Very low	64 Å²	64	118.1 Å²	118.1	45%	0.448	69%	0.686	S	S	.	*			trans	-63.2	86.8	170.3	61.1	0	0	0	0	108.6	S510	S508-S510 PolarHBondContact O-N 3.45Å
509	R	22.9	Very low	29.8	Very low	248 Å²	248	116.9 Å²	116.9	94%	0.936	67%	0.674	S	S	*	*			trans	-82.4	65.9	152.8	-91.2	-171.6	174.8	176.9	-0.2	108.1	Y507	Y507-R509 PolarHBondContact O-N 2.82Å
510	S	25.8	Very low	31.6	Very low	113 Å²	113	114.7 Å²	114.7	79%	0.79	65%	0.653	S	S	*	*	S	Bend	trans	-175.7	60.9	159.8	56.3	0	0	0	0	109.8	S508	S508-S510 PolarHBondContact O-N 3.45Å
511	S	27.5	Very low	33.4	Very low	60 Å²	60	113.4 Å²	113.4	42%	0.42	64%	0.639	S	S	.	*			trans	-159.2	79	159.9	33.8	0	0	0	0	107.5	N513	S511-N513 PolarHBondContact O-N 2.7Å; S511-N513 VanDerWaalsContact O-N 3.11Å
512	S	33.9	Very low	35.4	Very low	113 Å²	113	111.2 Å²	111.2	79%	0.79	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.3	116.4	148.6	44.7	0	0	0	0	107.3
513	N	27.4	Very low	37.4	Very low	164 Å²	164	111.9 Å²	111.9	88%	0.877	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	112.3	32.3	179.5	-54.3	-11.5	0	0	0	117.1	S511 S515	S511-N513 PolarHBondContact O-N 2.7Å; S511-N513 VanDerWaalsContact O-N 3.11Å; N513-S515 PolarHBondContact O-N 3.46Å
514	I	28	Very low	39.4	Very low	96 Å²	96	112.6 Å²	112.6	49%	0.492	61%	0.612	S	S	.	*			trans	-75.3	116.4	154.9	-62.1	173	0	0	0	107	D518	I514-D518 HydrophobicContact CG2-CB 4.02Å
515	S	35.2	Very low	41.7	Very low	54 Å²	54	108.3 Å²	108.3	38%	0.378	58%	0.582	S	S	.	*			trans	-56.6	141.7	176	66.8	0	0	0	0	110.4	N513 T517 D518	N513-S515 PolarHBondContact O-N 3.46Å; S515-T517 WeakPolarHBondContact CB-OG1 3.01Å; S515-T517 PolarHBondContact O-N 2.97Å; S515-T517 PolarHBondContact OG-OG1 3.32Å; S515-D518 PolarHBondContact O-N 2.67Å
516	S	37.1	Very low	43.8	Very low	103 Å²	103	104.8 Å²	104.8	72%	0.72	56%	0.56	S	S	*	*	H	α-helix	trans	-58.1	-17.2	177.9	52.4	0	0	0	0	113.7	T519	S516-T519 PolarHBondContact O-OG1 3.4Å
517	T	43.6	Very low	46	Very low	86 Å²	86	99.7 Å²	99.7	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-73.6	-37	178.8	44.3	0	0	0	0	112.9	S515 T519 D520 I521	S515-T517 WeakPolarHBondContact CB-OG1 3.01Å; S515-T517 PolarHBondContact O-N 2.97Å; S515-T517 PolarHBondContact OG-OG1 3.32Å; T517-T519 VanDerWaalsContact C-N 3.32Å; T517-T519 PolarHBondContact O-N 3.19Å; T517-D520 PolarHBondContact O-N 2.83Å; T517-I521 PolarHBondContact O-N 3.45Å
518	D	50.1	Low	48.3	Very low	77 Å²	77	90.5 Å²	90.5	41%	0.412	50%	0.499	S	S	.	.	H	α-helix	trans	-67.7	-31.6	-178.4	-83.6	-29	0	0	0	113.1	I514 S515 K522	I514-D518 HydrophobicContact CG2-CB 4.02Å; S515-D518 PolarHBondContact O-N 2.67Å; D518-K522 WeakPolarHBondContact O-CG 3.33Å; D518-K522 PolarHBondContact O-N 3.44Å
519	T	51	Low	50.7	Low	89 Å²	89	87.7 Å²	87.7	55%	0.546	48%	0.479	S	S	.	.	H	α-helix	trans	-70.7	-35.5	178.6	45.3	0	0	0	0	112.5	S516 T517 L523	S516-T519 PolarHBondContact O-OG1 3.4Å; T517-T519 VanDerWaalsContact C-N 3.32Å; T517-T519 PolarHBondContact O-N 3.19Å; T519-L523 PolarHBondContact O-N 3.21Å
520	D	63	Low	52.7	Low	75 Å²	75	75.9 Å²	75.9	40%	0.401	44%	0.435	S	S	.	.	H	α-helix	trans	-72.2	-40.1	-179.7	-170.4	38.8	0	0	0	111.5	T517 L523 K524	T517-D520 PolarHBondContact O-N 2.83Å; D520-L523 PolarHBondContact O-N 3.15Å; D520-K524 WeakPolarHBondContact O-CG 3.37Å; D520-K524 PolarHBondContact O-N 3.24Å; D520-K524 VanDerWaalsContact OD2-CE 3.27Å; D520-K524 WeakPolarHBondContact OD2-CE 3.29Å; D520-K524 IonicContact OD2-NZ 3.04Å; D520-K524 PolarHBondContact OD2-NZ 3.38Å
521	I	67	Low	54.8	Low	87 Å²	87	71.1 Å²	71.1	45%	0.446	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-48	176.6	-64.8	169.7	0	0	0	111	T517 L523 K524 I525	T517-I521 PolarHBondContact O-N 3.45Å; I521-L523 VanDerWaalsContact C-N 3.3Å; I521-L523 PolarHBondContact O-N 3.18Å; I521-K524 PolarHBondContact O-N 2.61Å; I521-I525 HydrophobicContact CG2-CD1 3.91Å; I521-I525 WeakPolarHBondContact O-CG1 3.4Å; I521-I525 PolarHBondContact O-N 3.43Å
522	K	65.1	Low	57.1	Low	133 Å²	133	68.3 Å²	68.3	58%	0.578	38%	0.381	S	S	*	.	H	α-helix	trans	-61	-37.7	178.8	-74.5	179.4	180	177.3	0	112.7	D518 T526	D518-K522 WeakPolarHBondContact O-CG 3.33Å; D518-K522 PolarHBondContact O-N 3.44Å; K522-T526 WeakPolarHBondContact O-CB 3.42Å; K522-T526 PolarHBondContact O-N 3.21Å; K522-T526 PolarHBondContact O-OG1 3.23Å
523	L	66.7	Low	58.8	Low	101 Å²	101	63 Å²	63	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-43.3	176.1	-172.1	69.6	0	0	0	111.4	T519 D520 I521 T526 N527	T519-L523 PolarHBondContact O-N 3.21Å; D520-L523 PolarHBondContact O-N 3.15Å; I521-L523 VanDerWaalsContact C-N 3.3Å; I521-L523 PolarHBondContact O-N 3.18Å; L523-T526 WeakPolarHBondContact O-CB 3.01Å; L523-T526 PolarHBondContact O-N 2.84Å; L523-N527 PolarHBondContact O-N 3.31Å
524	K	69.4	Low	60.6	Low	107 Å²	107	58.2 Å²	58.2	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-47	175.5	-73.2	172.9	-172.6	161.5	0	112.2	D520 I521 T526 N527 I528	D520-K524 WeakPolarHBondContact O-CG 3.37Å; D520-K524 PolarHBondContact O-N 3.24Å; D520-K524 VanDerWaalsContact OD2-CE 3.27Å; D520-K524 WeakPolarHBondContact OD2-CE 3.29Å; D520-K524 IonicContact OD2-NZ 3.04Å; D520-K524 PolarHBondContact OD2-NZ 3.38Å; I521-K524 PolarHBondContact O-N 2.61Å; K524-T526 VanDerWaalsContact C-N 3.31Å; K524-T526 PolarHBondContact O-N 2.75Å; K524-N527 PolarHBondContact O-N 3.28Å; K524-I528 WeakPolarHBondContact O-CG1 3.34Å; K524-I528 PolarHBondContact O-N 3.29Å
525	I	70.8	Confident	62.5	Low	14 Å²	14	57.6 Å²	57.6	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-44.5	176.9	-67.1	168.9	0	0	0	110.7	I521 N527 I528 L529 L565	I521-I525 HydrophobicContact CG2-CD1 3.91Å; I521-I525 WeakPolarHBondContact O-CG1 3.4Å; I521-I525 PolarHBondContact O-N 3.43Å; I525-N527 PolarHBondContact O-N 2.9Å; I525-I528 PolarHBondContact O-N 3.19Å; I525-L529 HydrophobicContact CG2-CD1 3.79Å; I525-L529 HydrophobicContact CG2-CG 4.34Å; I525-L529 WeakPolarHBondContact O-CG 3.11Å; I525-L529 PolarHBondContact O-N 2.72Å; I525-L565 HydrophobicContact CD1-CB 4.46Å; I525-L565 VanDerWaalsContact CD1-O 3.29Å; I525-L565 WeakPolarHBondContact CD1-O 3.45Å; I525-L565 HydrophobicContact CG1-CB 4.25Å; I525-L565 HydrophobicContact CG2-CB 3.91Å; I525-L565 HydrophobicContact CG2-CD1 4.2Å
526	T	67	Low	64.1	Low	44 Å²	44	55 Å²	55	27%	0.27	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-43.9	179.1	-60.3	0	0	0	0	111.8	P449 K522 L523 K524 L529 T530	P449-T526 HydrophobicContact CB-CG2 3.75Å; P449-T526 HydrophobicContact CG-CG2 3.82Å; K522-T526 WeakPolarHBondContact O-CB 3.42Å; K522-T526 PolarHBondContact O-N 3.21Å; K522-T526 PolarHBondContact O-OG1 3.23Å; L523-T526 WeakPolarHBondContact O-CB 3.01Å; L523-T526 PolarHBondContact O-N 2.84Å; K524-T526 VanDerWaalsContact C-N 3.31Å; K524-T526 PolarHBondContact O-N 2.75Å; T526-L529 PolarHBondContact O-N 2.82Å; T526-T530 VanDerWaalsContact O-CB 3.24Å; T526-T530 WeakPolarHBondContact O-CB 3.26Å; T526-T530 PolarHBondContact O-N 3.2Å; T526-T530 PolarHBondContact O-OG1 2.69Å
527	N	68.6	Low	65.5	Low	63 Å²	63	50.2 Å²	50.2	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-40.7	177.3	-72.2	-19.6	0	0	0	112.4	L523 K524 I525 S531	L523-N527 PolarHBondContact O-N 3.31Å; K524-N527 PolarHBondContact O-N 3.28Å; I525-N527 PolarHBondContact O-N 2.9Å; N527-S531 WeakPolarHBondContact O-CB 3.1Å; N527-S531 PolarHBondContact O-N 2.68Å
528	I	72.1	Confident	66.2	Low	10 Å²	10	48 Å²	48	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-56	175.4	-69.2	162.7	0	0	0	109.8	K524 I525 T530 S531 F532 L565 I653	K524-I528 WeakPolarHBondContact O-CG1 3.34Å; K524-I528 PolarHBondContact O-N 3.29Å; I525-I528 PolarHBondContact O-N 3.19Å; I528-T530 PolarHBondContact O-N 2.66Å; I528-S531 PolarHBondContact O-N 2.82Å; I528-S531 VanDerWaalsContact O-N 3.13Å; I528-F532 HydrophobicContact CG2-CD2 3.84Å; I528-F532 HydrophobicContact CG2-CE2 3.9Å; I528-F532 VanDerWaalsContact O-CD2 3.22Å; I528-F532 WeakPolarHBondContact O-CD2 2.98Å; I528-F532 PolarHBondContact O-N 2.62Å; I528-L565 HydrophobicContact CB-CD1 4.36Å; I528-L565 HydrophobicContact CG2-CD1 3.79Å; I528-I653 HydrophobicContact CB-CG2 4.49Å; I528-I653 HydrophobicContact CD1-CB 3.96Å; I528-I653 HydrophobicContact CD1-CG2 3.87Å; I528-I653 HydrophobicContact CG1-CB 4.45Å; I528-I653 HydrophobicContact CG1-CG2 3.82Å; I528-I653 HydrophobicContact CG2-CB 4.39Å; I528-I653 HydrophobicContact CG2-CD1 3.75Å; I528-I653 HydrophobicContact CG2-CG2 3.86Å
529	L	72.8	Confident	66.5	Low	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-37.6	-177.8	-69.3	171.2	0	0	0	112.2	P449 I525 T526 S533 L561 N562 L565	P449-L529 HydrophobicContact CG-CB 4.44Å; I525-L529 HydrophobicContact CG2-CD1 3.79Å; I525-L529 HydrophobicContact CG2-CG 4.34Å; I525-L529 WeakPolarHBondContact O-CG 3.11Å; I525-L529 PolarHBondContact O-N 2.72Å; T526-L529 PolarHBondContact O-N 2.82Å; L529-S533 VanDerWaalsContact O-CB 3.22Å; L529-S533 WeakPolarHBondContact O-CB 3.11Å; L529-S533 PolarHBondContact O-N 2.85Å; L529-S533 PolarHBondContact O-OG 3.48Å; L529-L561 HydrophobicContact CD2-CB 4.44Å; L529-L561 HydrophobicContact CD2-CD2 4.23Å; L529-L561 HydrophobicContact CD2-CG 4.07Å; L529-N562 HydrophobicContact CD1-CB 4Å; L529-N562 WeakPolarHBondContact CD1-OD1 3.47Å; L529-N562 HydrophobicContact CD2-CB 3.83Å; L529-L565 HydrophobicContact CD2-CD1 4.18Å; L529-L565 HydrophobicContact CG-CD1 4.3Å
530	T	65.2	Low	66.3	Low	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-53.4	174.6	-69.5	0	0	0	0	111.9	P449 D451 T526 I528 F532 S533 Q534	P449-T530 PolarHBondContact O-OG1 3.47Å; P449-T530 VanDerWaalsContact O-OG1 3.05Å; D451-T530 HydrophobicContact CB-CG2 3.89Å; D451-T530 PolarHBondContact N-OG1 2.91Å; D451-T530 WeakPolarHBondContact O-CG2 3.11Å; T526-T530 VanDerWaalsContact O-CB 3.24Å; T526-T530 WeakPolarHBondContact O-CB 3.26Å; T526-T530 PolarHBondContact O-N 3.2Å; T526-T530 PolarHBondContact O-OG1 2.69Å; I528-T530 PolarHBondContact O-N 2.66Å; T530-F532 PolarHBondContact O-N 3.09Å; T530-S533 PolarHBondContact O-N 2.81Å; T530-Q534 WeakPolarHBondContact O-CG 3.16Å; T530-Q534 PolarHBondContact O-N 2.84Å
531	S	69.6	Low	65.2	Low	13 Å²	13	45.5 Å²	45.5	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-47	179.8	168.1	0	0	0	0	111.8	N527 I528 S533 Q534 R535 N656	N527-S531 WeakPolarHBondContact O-CB 3.1Å; N527-S531 PolarHBondContact O-N 2.68Å; I528-S531 PolarHBondContact O-N 2.82Å; I528-S531 VanDerWaalsContact O-N 3.13Å; S531-S533 PolarHBondContact O-N 2.86Å; S531-Q534 PolarHBondContact O-N 3.44Å; S531-R535 WeakPolarHBondContact O-CG 3.42Å; S531-R535 PolarHBondContact O-N 3.49Å; S531-N656 VanDerWaalsContact CB-CG 3.47Å; S531-N656 WeakPolarHBondContact CB-ND2 3.42Å; S531-N656 WeakPolarHBondContact CB-OD1 3.14Å; S531-N656 VanDerWaalsContact OG-CG 3.27Å; S531-N656 PolarHBondContact OG-ND2 3.45Å
532	F	75.1	Confident	64.1	Low	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-36.7	179.1	-80.6	-105.2	0	0	0	111.7	I528 T530 Q534 R535 L536 L558 L561 L626 L630 I653	I528-F532 HydrophobicContact CG2-CD2 3.84Å; I528-F532 HydrophobicContact CG2-CE2 3.9Å; I528-F532 VanDerWaalsContact O-CD2 3.22Å; I528-F532 WeakPolarHBondContact O-CD2 2.98Å; I528-F532 PolarHBondContact O-N 2.62Å; T530-F532 PolarHBondContact O-N 3.09Å; F532-Q534 VanDerWaalsContact C-N 3.32Å; F532-Q534 PolarHBondContact O-N 3.18Å; F532-R535 PolarHBondContact O-N 2.92Å; F532-L536 HydrophobicContact CB-CD1 4.46Å; F532-L536 WeakPolarHBondContact O-CB 3.38Å; F532-L536 WeakPolarHBondContact O-CG 3.44Å; F532-L536 PolarHBondContact O-N 3.44Å; F532-L558 HydrophobicContact CB-CD2 3.93Å; F532-L561 HydrophobicContact CB-CD2 4.29Å; F532-L561 HydrophobicContact CD1-CD2 4.09Å; F532-L561 HydrophobicContact CG-CD2 4.08Å; F532-L626 HydrophobicContact CD1-CD1 4.33Å; F532-L626 HydrophobicContact CD1-CD2 3.85Å; F532-L626 HydrophobicContact CD1-CG 4.21Å; F532-L626 HydrophobicContact CE1-CD1 3.43Å; F532-L626 VanDerWaalsContact CE1-CD1 3.43Å; F532-L626 HydrophobicContact CE1-CD2 3.77Å; F532-L626 HydrophobicContact CE1-CG 3.77Å; F532-L626 HydrophobicContact CZ-CD1 3.9Å; F532-L630 HydrophobicContact CD1-CD1 3.4Å; F532-L630 VanDerWaalsContact CD1-CD1 3.4Å; F532-L630 HydrophobicContact CD1-CG 4.43Å; F532-L630 HydrophobicContact CE1-CD1 3.37Å; F532-L630 HydrophobicContact CE1-CD2 4.03Å; F532-L630 HydrophobicContact CE1-CG 3.92Å; F532-I653 HydrophobicContact CE2-CD1 4.32Å; F532-I653 HydrophobicContact CE2-CG2 3.99Å; F532-I653 HydrophobicContact CZ-CD1 4.14Å; F532-I653 HydrophobicContact CZ-CG2 4.32Å
533	S	69.6	Low	63	Low	1 Å²	1	49.7 Å²	49.7	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-42.4	174.5	-62.5	0	0	0	0	111.5	L529 T530 S531 L537	L529-S533 VanDerWaalsContact O-CB 3.22Å; L529-S533 WeakPolarHBondContact O-CB 3.11Å; L529-S533 PolarHBondContact O-N 2.85Å; L529-S533 PolarHBondContact O-OG 3.48Å; T530-S533 PolarHBondContact O-N 2.81Å; S531-S533 PolarHBondContact O-N 2.86Å; S533-L537 WeakPolarHBondContact O-CB 3.23Å; S533-L537 VanDerWaalsContact O-CG 3.32Å; S533-L537 WeakPolarHBondContact O-CG 3.46Å; S533-L537 PolarHBondContact O-N 2.81Å
534	Q	65	Low	62	Low	65 Å²	65	46.6 Å²	46.6	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-47.1	174.7	-67.6	175.2	3.8	0	0	111.2	D451 T530 S531 F532 L536 C538	D451-Q534 PolarHBondContact O-NE2 2.05Å; T530-Q534 WeakPolarHBondContact O-CG 3.16Å; T530-Q534 PolarHBondContact O-N 2.84Å; S531-Q534 PolarHBondContact O-N 3.44Å; F532-Q534 VanDerWaalsContact C-N 3.32Å; F532-Q534 PolarHBondContact O-N 3.18Å; Q534-L536 PolarHBondContact O-N 2.06Å; Q534-C538 WeakPolarHBondContact O-CA 3.47Å; Q534-C538 WeakPolarHBondContact O-CB 3.42Å; Q534-C538 PolarHBondContact O-N 3.32Å; Q534-C538 PolarHBondContact O-SG 2.99Å
535	R	69	Low	60.5	Low	82 Å²	82	46.6 Å²	46.6	31%	0.309	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-35.2	-179.4	-72.9	-177.9	179.1	174.6	-3.1	114.2	S531 F532 Q539 F621 N623 L626 N656	S531-R535 WeakPolarHBondContact O-CG 3.42Å; S531-R535 PolarHBondContact O-N 3.49Å; F532-R535 PolarHBondContact O-N 2.92Å; R535-Q539 WeakPolarHBondContact O-CG 3.35Å; R535-F621 VanDerWaalsContact NH1-CZ 3.33Å; R535-N623 WeakPolarHBondContact CB-OD1 3.23Å; R535-N623 VanDerWaalsContact O-CG 3.28Å; R535-N623 PolarHBondContact O-ND2 3.16Å; R535-L626 HydrophobicContact CB-CD2 4.16Å; R535-N656 PolarHBondContact NH1-O 3.13Å
536	L	68.3	Low	59.2	Low	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-89	-30.2	-174.3	-66.1	-179.8	0	0	0	113.5	F532 Q534 N554 L558 I627	F532-L536 HydrophobicContact CB-CD1 4.46Å; F532-L536 WeakPolarHBondContact O-CB 3.38Å; F532-L536 WeakPolarHBondContact O-CG 3.44Å; F532-L536 PolarHBondContact O-N 3.44Å; Q534-L536 PolarHBondContact O-N 2.06Å; L536-N554 HydrophobicContact CB-CB 4.34Å; L536-N554 PolarHBondContact O-ND2 3.08Å; L536-L558 HydrophobicContact CB-CD1 4.29Å; L536-L558 HydrophobicContact CD1-CD1 4.36Å; L536-L558 HydrophobicContact CD1-CD2 3.68Å; L536-L558 HydrophobicContact CD1-CG 3.72Å; L536-I627 HydrophobicContact CD2-CB 4.47Å; L536-I627 HydrophobicContact CD2-CD1 3.66Å; L536-I627 HydrophobicContact CD2-CG1 3.11Å
537	L	66.4	Low	58.4	Low	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-102.8	-28.9	-176.3	-53.3	177.5	0	0	0	113	V464 K467 I468 S533 Q539 L551 N554 V555 L558	V464-L537 HydrophobicContact CG1-CB 4.31Å; V464-L537 HydrophobicContact CG1-CD1 3.9Å; V464-L537 HydrophobicContact CG2-CB 4.1Å; K467-L537 PolarHBondContact NZ-O 3.42Å; I468-L537 HydrophobicContact CD1-CD1 4.43Å; S533-L537 WeakPolarHBondContact O-CB 3.23Å; S533-L537 VanDerWaalsContact O-CG 3.32Å; S533-L537 WeakPolarHBondContact O-CG 3.46Å; S533-L537 PolarHBondContact O-N 2.81Å; L537-Q539 VanDerWaalsContact C-N 3.3Å; L537-Q539 PolarHBondContact O-N 2.84Å; L537-L551 HydrophobicContact CD2-CD1 3.68Å; L537-N554 HydrophobicContact CD2-CB 4.43Å; L537-V555 HydrophobicContact CD2-CG2 3.74Å; L537-L558 HydrophobicContact CD1-CD1 3.95Å; L537-L558 HydrophobicContact CD2-CD1 4.05Å; L537-L558 HydrophobicContact CG-CD1 3.9Å
538	C	58.2	Low	57.9	Low	40 Å²	40	54.7 Å²	54.7	27%	0.27	28%	0.277	S	S	.	.	S	Bend	trans	-90.3	31.5	179.8	-52.1	0	0	0	0	113.3	V464 Q534	V464-C538 WeakPolarHBondContact CG2-SG 3.49Å; Q534-C538 WeakPolarHBondContact O-CA 3.47Å; Q534-C538 WeakPolarHBondContact O-CB 3.42Å; Q534-C538 PolarHBondContact O-N 3.32Å; Q534-C538 PolarHBondContact O-SG 2.99Å
539	Q	55.9	Low	57.3	Low	23 Å²	23	56.6 Å²	56.6	11%	0.107	29%	0.287	C	S	.	.			trans	-70.4	152	174.5	-56.9	-173.4	-14.1	0	0	111.2	K467 R535 L537 F544 N623	K467-Q539 PolarHBondContact NZ-O 2.75Å; R535-Q539 WeakPolarHBondContact O-CG 3.35Å; L537-Q539 VanDerWaalsContact C-N 3.3Å; L537-Q539 PolarHBondContact O-N 2.84Å; Q539-F544 HydrophobicContact CB-CE2 3.68Å; Q539-F544 HydrophobicContact CB-CZ 4.2Å; Q539-F544 VanDerWaalsContact O-CE2 3.25Å; Q539-F544 WeakPolarHBondContact O-CE2 3.11Å; Q539-N623 HydrophobicContact CG-CB 4.47Å
540	P	47	Very low	56.8	Low	68 Å²	68	57.9 Å²	57.9	44%	0.442	29%	0.294	S	S	.	.			trans	-59.6	145.1	-179.3	-23.7	32.8	0	0	0	113.4	K542 Y543 F544	P540-K542 PolarHBondContact O-N 2.83Å; P540-Y543 PolarHBondContact O-N 3.3Å; P540-F544 WeakPolarHBondContact O-CD2 3.46Å
541	S	41.6	Very low	56.8	Low	96 Å²	96	58.2 Å²	58.2	67%	0.671	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-60.3	-17.9	-176.8	62.2	0	0	0	0	114.8	Y543 F544 P545	S541-Y543 PolarHBondContact O-N 2.84Å; S541-Y543 VanDerWaalsContact O-N 3.09Å; S541-F544 PolarHBondContact O-N 3.13Å; S541-P545 VanDerWaalsContact O-CD 3.23Å; S541-P545 WeakPolarHBondContact O-CD 3.36Å
542	K	42.5	Very low	56.6	Low	187 Å²	187	62 Å²	62	81%	0.813	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-56.5	-23.8	174.4	-159	175.7	-177.3	179.4	0	112.7	P540	P540-K542 PolarHBondContact O-N 2.83Å
543	Y	41.5	Very low	56.1	Low	122 Å²	122	62.2 Å²	62.2	48%	0.478	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-94.3	-11.7	175.2	-62.9	-77.2	0	0	0	114.5	P540 S541	P540-Y543 PolarHBondContact O-N 3.3Å; S541-Y543 PolarHBondContact O-N 2.84Å; S541-Y543 VanDerWaalsContact O-N 3.09Å
544	F	45.9	Very low	56.4	Low	35 Å²	35	62.1 Å²	62.1	15%	0.154	31%	0.308	C	S	.	.			trans	-107.9	3.1	-171.5	-72.4	-71.4	0	0	0	118.1	Q539 P540 S541 Q546 L551	Q539-F544 HydrophobicContact CB-CE2 3.68Å; Q539-F544 HydrophobicContact CB-CZ 4.2Å; Q539-F544 VanDerWaalsContact O-CE2 3.25Å; Q539-F544 WeakPolarHBondContact O-CE2 3.11Å; P540-F544 WeakPolarHBondContact O-CD2 3.46Å; S541-F544 PolarHBondContact O-N 3.13Å; F544-Q546 PolarHBondContact O-N 3.2Å; F544-L551 HydrophobicContact CE1-CB 3.97Å; F544-L551 HydrophobicContact CE1-CD1 4.05Å; F544-L551 HydrophobicContact CE1-CG 4.5Å; F544-L551 HydrophobicContact CZ-CD1 4.28Å
545	P	39.2	Very low	56.8	Low	108 Å²	108	59.5 Å²	59.5	70%	0.701	30%	0.297	S	S	*	.	S	Bend	trans	-64.7	-20.1	-170.9	-16.2	30.9	0	0	0	113.6	S541	S541-P545 VanDerWaalsContact O-CD 3.23Å; S541-P545 WeakPolarHBondContact O-CD 3.36Å
546	Q	43.6	Very low	56.9	Low	169 Å²	169	58.2 Å²	58.2	79%	0.79	30%	0.295	S	S	*	.	S	Bend	trans	-139.2	-1.1	-178.9	-65.9	-165.6	-5.2	0	0	116.8	F544	F544-Q546 PolarHBondContact O-N 3.2Å
547	N	49.8	Very low	57.4	Low	26 Å²	26	58.3 Å²	58.3	14%	0.139	30%	0.296	C	S	.	.			trans	-109.9	72.6	-170	-73.4	-29.2	0	0	0	114.2	N549 I550 E777	N547-N549 PolarHBondContact O-N 3.2Å; N547-I550 HydrophobicContact CB-CB 4.22Å; N547-I550 HydrophobicContact CB-CD1 3.66Å; N547-I550 HydrophobicContact CB-CG1 3.83Å; N547-I550 WeakPolarHBondContact ND2-CD1 3.39Å; N547-I550 PolarHBondContact O-N 2.81Å; N547-E777 PolarHBondContact ND2-OE2 3.32Å
548	H	57.5	Low	58.1	Low	96 Å²	96	58.3 Å²	58.3	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-51.1	-26.3	163.8	-71.2	78	0	0	0	111.7	L471 R552	L471-H548 WeakPolarHBondContact CD2-O 3.19Å; H548-R552 WeakPolarHBondContact O-CB 3.4Å; H548-R552 PolarHBondContact O-N 2.87Å
549	N	59.5	Low	59	Low	50 Å²	50	58.8 Å²	58.8	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-71.3	-38.1	-177.6	-55.1	-39.5	0	0	0	113.9	N547 R552 C553 N773	N547-N549 PolarHBondContact O-N 3.2Å; N549-R552 PolarHBondContact O-N 2.98Å; N549-C553 PolarHBondContact O-N 2.96Å; N549-C553 PolarHBondContact O-SG 3.18Å; N549-C553 VanDerWaalsContact O-SG 3.39Å; N549-N773 WeakPolarHBondContact CB-O 3.34Å; N549-N773 PolarHBondContact ND2-O 3.04Å; N549-N773 PolarHBondContact OD1-O 3.43Å
550	I	63.1	Low	60.4	Low	31 Å²	31	58.5 Å²	58.5	16%	0.159	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-46.5	177.4	-67.5	172.7	0	0	0	109.7	N547 C553 N554	N547-I550 HydrophobicContact CB-CB 4.22Å; N547-I550 HydrophobicContact CB-CD1 3.66Å; N547-I550 HydrophobicContact CB-CG1 3.83Å; N547-I550 WeakPolarHBondContact ND2-CD1 3.39Å; N547-I550 PolarHBondContact O-N 2.81Å; I550-C553 PolarHBondContact O-N 3.08Å; I550-N554 PolarHBondContact O-N 3.43Å
551	L	65.3	Low	62.2	Low	8 Å²	8	55.2 Å²	55.2	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-44.5	179	-171.8	68.4	0	0	0	111.6	K467 L471 L537 F544 C553 N554 V555	K467-L551 HydrophobicContact CB-CD2 3.59Å; K467-L551 HydrophobicContact CG-CD2 4.21Å; K467-L551 VanDerWaalsContact O-CD2 3.32Å; K467-L551 WeakPolarHBondContact O-CD2 3.29Å; L471-L551 HydrophobicContact CD1-CB 4.23Å; L471-L551 HydrophobicContact CD1-CD2 3.57Å; L471-L551 HydrophobicContact CD1-CG 3.54Å; L471-L551 HydrophobicContact CD2-CB 4.14Å; L471-L551 HydrophobicContact CD2-CD2 4.15Å; L471-L551 HydrophobicContact CD2-CG 4.29Å; L471-L551 HydrophobicContact CG-CB 4.39Å; L471-L551 HydrophobicContact CG-CD2 3.59Å; L471-L551 HydrophobicContact CG-CG 3.99Å; L537-L551 HydrophobicContact CD2-CD1 3.68Å; F544-L551 HydrophobicContact CE1-CB 3.97Å; F544-L551 HydrophobicContact CE1-CD1 4.05Å; F544-L551 HydrophobicContact CE1-CG 4.5Å; F544-L551 HydrophobicContact CZ-CD1 4.28Å; L551-C553 PolarHBondContact O-N 2.84Å; L551-N554 PolarHBondContact O-N 3.21Å; L551-V555 WeakPolarHBondContact O-CG2 3.38Å; L551-V555 PolarHBondContact O-N 3.06Å
552	R	64.4	Low	64.2	Low	93 Å²	93	51.9 Å²	51.9	35%	0.351	25%	0.245	S	C	.	.	H	α-helix	trans	-52.7	-45.8	178	-178.6	175.6	171.6	-177.7	-6	110.9	L471 H548 N549 V555 M556 E769	L471-R552 HydrophobicContact CD2-CB 3.71Å; H548-R552 WeakPolarHBondContact O-CB 3.4Å; H548-R552 PolarHBondContact O-N 2.87Å; N549-R552 PolarHBondContact O-N 2.98Å; R552-V555 WeakPolarHBondContact O-CB 3.48Å; R552-V555 PolarHBondContact O-N 2.76Å; R552-M556 HydrophobicContact CG-SD 4.4Å; R552-M556 WeakPolarHBondContact O-CG 3.07Å; R552-M556 PolarHBondContact O-N 2.79Å; R552-E769 IonicContact NH2-OE1 2.75Å
553	C	65.4	Low	66	Low	3 Å²	3	49.1 Å²	49.1	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-82.9	-27.3	-176.1	-65.1	0	0	0	0	113.9	N549 I550 L551 V555 M556 L557 Y775	N549-C553 PolarHBondContact O-N 2.96Å; N549-C553 PolarHBondContact O-SG 3.18Å; N549-C553 VanDerWaalsContact O-SG 3.39Å; I550-C553 PolarHBondContact O-N 3.08Å; L551-C553 PolarHBondContact O-N 2.84Å; C553-V555 PolarHBondContact O-N 2.78Å; C553-M556 PolarHBondContact O-N 3.13Å; C553-L557 WeakPolarHBondContact O-CB 3.44Å; C553-L557 PolarHBondContact O-N 3.44Å; C553-Y775 HydrophobicContact CB-CD1 4.29Å; C553-Y775 HydrophobicContact CB-CD2 3.2Å; C553-Y775 HydrophobicContact CB-CE1 3.93Å; C553-Y775 HydrophobicContact CB-CE2 2.83Å; C553-Y775 HydrophobicContact CB-CG 3.93Å; C553-Y775 WeakPolarHBondContact CB-OH 3.5Å; C553-Y775 WeakPolarHBondContact SG-CD2 3.45Å; C553-Y775 VanDerWaalsContact SG-CE2 3.57Å
554	N	74.6	Confident	68	Low	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-38.4	165.3	-76.5	-2	0	0	0	110.4	L536 L537 I550 L551 L557 L558	L536-N554 HydrophobicContact CB-CB 4.34Å; L536-N554 PolarHBondContact O-ND2 3.08Å; L537-N554 HydrophobicContact CD2-CB 4.43Å; I550-N554 PolarHBondContact O-N 3.43Å; L551-N554 PolarHBondContact O-N 3.21Å; N554-L557 PolarHBondContact O-N 2.96Å; N554-L558 WeakPolarHBondContact O-CG 3.47Å; N554-L558 PolarHBondContact O-N 3.36Å
555	V	73.1	Confident	69.7	Low	10 Å²	10	42.7 Å²	42.7	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-43.3	171.6	173.4	0	0	0	0	111.4	L471 L537 L551 R552 C553 L557 L558 Q559	L471-V555 HydrophobicContact CD1-CG2 3.82Å; L537-V555 HydrophobicContact CD2-CG2 3.74Å; L551-V555 WeakPolarHBondContact O-CG2 3.38Å; L551-V555 PolarHBondContact O-N 3.06Å; R552-V555 WeakPolarHBondContact O-CB 3.48Å; R552-V555 PolarHBondContact O-N 2.76Å; C553-V555 PolarHBondContact O-N 2.78Å; V555-L557 VanDerWaalsContact C-N 3.3Å; V555-L557 PolarHBondContact O-N 2.89Å; V555-L558 WeakPolarHBondContact O-CB 3.4Å; V555-L558 PolarHBondContact O-N 3.17Å; V555-Q559 HydrophobicContact CG1-CG 4.48Å; V555-Q559 WeakPolarHBondContact O-CG 3.37Å; V555-Q559 PolarHBondContact O-N 2.87Å
556	M	72.7	Confident	71.6	Confident	54 Å²	54	41.6 Å²	41.6	27%	0.266	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-36.6	175.2	-67.5	172.3	69.4	0	0	112.4	R552 C553 Q559 W560	R552-M556 HydrophobicContact CG-SD 4.4Å; R552-M556 WeakPolarHBondContact O-CG 3.07Å; R552-M556 PolarHBondContact O-N 2.79Å; C553-M556 PolarHBondContact O-N 3.13Å; M556-Q559 WeakPolarHBondContact O-CB 3.28Å; M556-Q559 PolarHBondContact O-N 2.75Å; M556-W560 PolarHBondContact O-N 3.34Å
557	L	78.7	Confident	73.1	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-40.2	175.6	-173.2	63.3	0	0	0	111.4	C553 N554 V555 W560 L561 I627 L630 R631 K634	C553-L557 WeakPolarHBondContact O-CB 3.44Å; C553-L557 PolarHBondContact O-N 3.44Å; N554-L557 PolarHBondContact O-N 2.96Å; V555-L557 VanDerWaalsContact C-N 3.3Å; V555-L557 PolarHBondContact O-N 2.89Å; L557-W560 HydrophobicContact CD1-CE3 3.93Å; L557-W560 HydrophobicContact CD1-CZ3 4.39Å; L557-W560 PolarHBondContact O-N 3Å; L557-L561 WeakPolarHBondContact O-CB 3.33Å; L557-L561 PolarHBondContact O-N 3.08Å; L557-I627 HydrophobicContact CD2-CG2 4.26Å; L557-L630 HydrophobicContact CD1-CB 4.15Å; L557-L630 HydrophobicContact CD2-CB 3.93Å; L557-L630 HydrophobicContact CD2-CD1 4.31Å; L557-L630 HydrophobicContact CG-CB 4.28Å; L557-R631 HydrophobicContact CD1-CG 4.23Å; L557-R631 HydrophobicContact CD2-CG 4.18Å; L557-K634 HydrophobicContact CD1-CB 4.22Å; L557-K634 HydrophobicContact CD1-CD 4.08Å
558	L	79.6	Confident	73.4	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-39	172.4	-76.6	168.7	0	0	0	112.2	F532 L536 L537 N554 V555 L561 N562	F532-L558 HydrophobicContact CB-CD2 3.93Å; L536-L558 HydrophobicContact CB-CD1 4.29Å; L536-L558 HydrophobicContact CD1-CD1 4.36Å; L536-L558 HydrophobicContact CD1-CD2 3.68Å; L536-L558 HydrophobicContact CD1-CG 3.72Å; L537-L558 HydrophobicContact CD1-CD1 3.95Å; L537-L558 HydrophobicContact CD2-CD1 4.05Å; L537-L558 HydrophobicContact CG-CD1 3.9Å; N554-L558 WeakPolarHBondContact O-CG 3.47Å; N554-L558 PolarHBondContact O-N 3.36Å; V555-L558 WeakPolarHBondContact O-CB 3.4Å; V555-L558 PolarHBondContact O-N 3.17Å; L558-L561 PolarHBondContact O-N 3.49Å; L558-N562 WeakPolarHBondContact O-CB 3.36Å; L558-N562 PolarHBondContact O-N 3.36Å
559	Q	78.5	Confident	73.1	Confident	51 Å²	51	40.7 Å²	40.7	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-48.5	174.5	-77.7	172.9	-5.2	0	0	111.2	L446 V555 M556 N562 Q563	L446-Q559 HydrophobicContact CD1-CG 4.18Å; L446-Q559 HydrophobicContact CD2-CG 3.57Å; V555-Q559 HydrophobicContact CG1-CG 4.48Å; V555-Q559 WeakPolarHBondContact O-CG 3.37Å; V555-Q559 PolarHBondContact O-N 2.87Å; M556-Q559 WeakPolarHBondContact O-CB 3.28Å; M556-Q559 PolarHBondContact O-N 2.75Å; Q559-N562 PolarHBondContact O-N 2.89Å; Q559-Q563 WeakPolarHBondContact O-CG 3.45Å; Q559-Q563 PolarHBondContact O-N 2.85Å
560	W	84.7	Confident	72.9	Confident	16 Å²	16	48.2 Å²	48.2	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-48.7	173.9	167.5	84.1	0	0	0	110.8	M556 L557 N562 Q563 Y564 A633 K634 S637 L651	M556-W560 PolarHBondContact O-N 3.34Å; L557-W560 HydrophobicContact CD1-CE3 3.93Å; L557-W560 HydrophobicContact CD1-CZ3 4.39Å; L557-W560 PolarHBondContact O-N 3Å; W560-N562 VanDerWaalsContact C-N 3.31Å; W560-N562 PolarHBondContact O-N 2.96Å; W560-Q563 PolarHBondContact O-N 3.46Å; W560-Q563 VanDerWaalsContact O-N 3.12Å; W560-Y564 HydrophobicContact CH2-CD2 4.48Å; W560-Y564 HydrophobicContact CH2-CG 4.45Å; W560-Y564 AromaticContact CZ2-CD2 3.64Å; W560-Y564 HydrophobicContact CZ2-CD2 3.64Å; W560-Y564 HydrophobicContact CZ2-CE2 4.18Å; W560-Y564 AromaticContact CZ2-CG 3.95Å; W560-Y564 HydrophobicContact CZ2-CG 3.95Å; W560-Y564 VanDerWaalsContact O-CB 3.3Å; W560-Y564 WeakPolarHBondContact O-CB 3.38Å; W560-Y564 PolarHBondContact O-N 2.82Å; W560-A633 HydrophobicContact CH2-CB 3.86Å; W560-K634 HydrophobicContact CB-CD 4.11Å; W560-K634 HydrophobicContact CB-CG 4.48Å; W560-K634 HydrophobicContact CD2-CB 3.63Å; W560-K634 HydrophobicContact CD2-CD 4.16Å; W560-K634 HydrophobicContact CD2-CG 3.71Å; W560-K634 VanDerWaalsContact CE2-CA 3.45Å; W560-K634 HydrophobicContact CE3-CB 3.83Å; W560-K634 HydrophobicContact CE3-CG 4.33Å; W560-K634 HydrophobicContact CG-CB 4.19Å; W560-K634 HydrophobicContact CG-CD 3.87Å; W560-K634 HydrophobicContact CG-CG 3.7Å; W560-K634 HydrophobicContact CH2-CB 4.03Å; W560-K634 HydrophobicContact CZ2-CB 3.87Å; W560-K634 HydrophobicContact CZ3-CB 4.01Å; W560-S637 WeakPolarHBondContact CZ2-OG 3.45Å; W560-S637 PolarHBondContact NE1-OG 2.81Å; W560-L651 HydrophobicContact CH2-CD2 4.04Å
561	L	85.1	Confident	73	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-41.8	-179.6	-178.3	62.2	0	0	0	111.7	L529 F532 L557 L558 Y564 L565 L630 L651 I653	L529-L561 HydrophobicContact CD2-CB 4.44Å; L529-L561 HydrophobicContact CD2-CD2 4.23Å; L529-L561 HydrophobicContact CD2-CG 4.07Å; F532-L561 HydrophobicContact CB-CD2 4.29Å; F532-L561 HydrophobicContact CD1-CD2 4.09Å; F532-L561 HydrophobicContact CG-CD2 4.08Å; L557-L561 WeakPolarHBondContact O-CB 3.33Å; L557-L561 PolarHBondContact O-N 3.08Å; L558-L561 PolarHBondContact O-N 3.49Å; L561-Y564 PolarHBondContact O-N 2.93Å; L561-L565 HydrophobicContact CD1-CD1 3.97Å; L561-L565 HydrophobicContact CD1-CD2 4.46Å; L561-L565 HydrophobicContact CD1-CG 3.96Å; L561-L565 HydrophobicContact CG-CD1 3.92Å; L561-L565 HydrophobicContact CG-CG 4.3Å; L561-L565 WeakPolarHBondContact O-CB 3.42Å; L561-L565 VanDerWaalsContact O-CG 3.24Å; L561-L565 WeakPolarHBondContact O-CG 3.37Å; L561-L565 PolarHBondContact O-N 3.29Å; L561-L630 HydrophobicContact CD1-CD2 4.5Å; L561-L630 HydrophobicContact CD2-CD1 4.28Å; L561-L651 HydrophobicContact CD1-CD2 4.04Å; L561-I653 HydrophobicContact CD1-CD1 3.78Å; L561-I653 HydrophobicContact CD2-CD1 4.38Å
562	N	82.5	Confident	73.6	Confident	26 Å²	26	52 Å²	52	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-43.5	175.4	-179.1	50.7	0	0	0	112.1	L529 L558 Q559 W560 N566	L529-N562 HydrophobicContact CD1-CB 4Å; L529-N562 WeakPolarHBondContact CD1-OD1 3.47Å; L529-N562 HydrophobicContact CD2-CB 3.83Å; L558-N562 WeakPolarHBondContact O-CB 3.36Å; L558-N562 PolarHBondContact O-N 3.36Å; Q559-N562 PolarHBondContact O-N 2.89Å; W560-N562 VanDerWaalsContact C-N 3.31Å; W560-N562 PolarHBondContact O-N 2.96Å; N562-N566 WeakPolarHBondContact O-CB 3.48Å; N562-N566 PolarHBondContact O-N 2.87Å; N562-N566 VanDerWaalsContact O-N 3.17Å; N562-N566 PolarHBondContact O-ND2 3.48Å; N562-N566 PolarHBondContact OD1-ND2 3.1Å
563	Q	82	Confident	74.5	Confident	128 Å²	128	48.1 Å²	48.1	60%	0.598	24%	0.243	S	C	*	.	H	α-helix	trans	-65	-43.6	175.7	-72.6	175.6	-2.1	0	0	111.3	Q559 W560 N566 S567	Q559-Q563 WeakPolarHBondContact O-CG 3.45Å; Q559-Q563 PolarHBondContact O-N 2.85Å; W560-Q563 PolarHBondContact O-N 3.46Å; W560-Q563 VanDerWaalsContact O-N 3.12Å; Q563-N566 PolarHBondContact O-N 3.34Å; Q563-S567 VanDerWaalsContact O-CB 3.31Å; Q563-S567 WeakPolarHBondContact O-CB 3.3Å; Q563-S567 PolarHBondContact O-N 3.39Å
564	Y	82.7	Confident	75.4	Confident	13 Å²	13	50.5 Å²	50.5	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-51.7	179.9	-173.4	-86.2	0	0	0	111.4	W560 L561 N566 S567 T571 F648 L651	W560-Y564 HydrophobicContact CH2-CD2 4.48Å; W560-Y564 HydrophobicContact CH2-CG 4.45Å; W560-Y564 AromaticContact CZ2-CD2 3.64Å; W560-Y564 HydrophobicContact CZ2-CD2 3.64Å; W560-Y564 HydrophobicContact CZ2-CE2 4.18Å; W560-Y564 AromaticContact CZ2-CG 3.95Å; W560-Y564 HydrophobicContact CZ2-CG 3.95Å; W560-Y564 VanDerWaalsContact O-CB 3.3Å; W560-Y564 WeakPolarHBondContact O-CB 3.38Å; W560-Y564 PolarHBondContact O-N 2.82Å; L561-Y564 PolarHBondContact O-N 2.93Å; Y564-N566 VanDerWaalsContact C-N 3.32Å; Y564-N566 PolarHBondContact O-N 3.16Å; Y564-S567 PolarHBondContact O-N 2.94Å; Y564-S567 PolarHBondContact O-OG 3.23Å; Y564-T571 VanDerWaalsContact CE2-OG1 3.28Å; Y564-T571 WeakPolarHBondContact CE2-OG1 3.26Å; Y564-T571 VanDerWaalsContact CZ-OG1 3.3Å; Y564-T571 VanDerWaalsContact OH-C 3.3Å; Y564-T571 VanDerWaalsContact OH-CB 3.29Å; Y564-T571 WeakPolarHBondContact OH-CB 3.46Å; Y564-T571 PolarHBondContact OH-O 3.26Å; Y564-T571 PolarHBondContact OH-OG1 2.92Å; Y564-F648 HydrophobicContact CE2-CE1 4.32Å; Y564-F648 WeakPolarHBondContact OH-CE1 3.17Å; Y564-F648 WeakPolarHBondContact OH-CZ 3.25Å; Y564-L651 HydrophobicContact CD1-CD2 4.27Å; Y564-L651 HydrophobicContact CE1-CB 3.72Å; Y564-L651 HydrophobicContact CE1-CD2 4.1Å; Y564-L651 HydrophobicContact CE1-CG 4.41Å; Y564-L651 PolarHBondContact OH-N 2.82Å; Y564-L651 VanDerWaalsContact OH-N 3.11Å
565	L	82.2	Confident	76.1	Confident	10 Å²	10	53 Å²	53	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-30.1	-179	-68.3	176.8	0	0	0	113.6	I525 I528 L529 L561 Y572 I653	I525-L565 HydrophobicContact CD1-CB 4.46Å; I525-L565 VanDerWaalsContact CD1-O 3.29Å; I525-L565 WeakPolarHBondContact CD1-O 3.45Å; I525-L565 HydrophobicContact CG1-CB 4.25Å; I525-L565 HydrophobicContact CG2-CB 3.91Å; I525-L565 HydrophobicContact CG2-CD1 4.2Å; I528-L565 HydrophobicContact CB-CD1 4.36Å; I528-L565 HydrophobicContact CG2-CD1 3.79Å; L529-L565 HydrophobicContact CD2-CD1 4.18Å; L529-L565 HydrophobicContact CG-CD1 4.3Å; L561-L565 HydrophobicContact CD1-CD1 3.97Å; L561-L565 HydrophobicContact CD1-CD2 4.46Å; L561-L565 HydrophobicContact CD1-CG 3.96Å; L561-L565 HydrophobicContact CG-CD1 3.92Å; L561-L565 HydrophobicContact CG-CG 4.3Å; L561-L565 WeakPolarHBondContact O-CB 3.42Å; L561-L565 VanDerWaalsContact O-CG 3.24Å; L561-L565 WeakPolarHBondContact O-CG 3.37Å; L561-L565 PolarHBondContact O-N 3.29Å; L565-Y572 HydrophobicContact CD2-CD2 3.56Å; L565-Y572 HydrophobicContact CD2-CE2 3.64Å; L565-I653 HydrophobicContact CD2-CD1 4.48Å
566	N	77.8	Confident	76.7	Confident	84 Å²	84	57.9 Å²	57.9	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-95.1	-1.9	177.7	-69.1	-66.8	0	0	0	113.6	N562 Q563 Y564	N562-N566 WeakPolarHBondContact O-CB 3.48Å; N562-N566 PolarHBondContact O-N 2.87Å; N562-N566 VanDerWaalsContact O-N 3.17Å; N562-N566 PolarHBondContact O-ND2 3.48Å; N562-N566 PolarHBondContact OD1-ND2 3.1Å; Q563-N566 PolarHBondContact O-N 3.34Å; Y564-N566 VanDerWaalsContact C-N 3.32Å; Y564-N566 PolarHBondContact O-N 3.16Å
567	S	76.4	Confident	77.4	Confident	44 Å²	44	56.7 Å²	56.7	31%	0.308	30%	0.3	S	S	.	.	S	Bend	trans	-71.4	138.7	176.9	71.4	0	0	0	0	109.8	Q563 Y564 S569	Q563-S567 VanDerWaalsContact O-CB 3.31Å; Q563-S567 WeakPolarHBondContact O-CB 3.3Å; Q563-S567 PolarHBondContact O-N 3.39Å; Y564-S567 PolarHBondContact O-N 2.94Å; Y564-S567 PolarHBondContact O-OG 3.23Å; S567-S569 PolarHBondContact O-N 2.65Å; S567-S569 WeakPolarHBondContact OG-CB 3.43Å; S567-S569 PolarHBondContact OG-OG 2.98Å
568	D	55.7	Low	78.1	Confident	176 Å²	176	56.8 Å²	56.8	94%	0.941	30%	0.301	S	S	*	.			trans	-67.1	7.8	167.1	-65.5	-36	0	0	0	112.1
569	S	52	Low	78.7	Confident	52 Å²	52	60.2 Å²	60.2	36%	0.364	32%	0.322	S	S	.	.	S	Bend	trans	-73.8	143.8	-173.8	84.5	0	0	0	0	110.9	S567 T571	S567-S569 PolarHBondContact O-N 2.65Å; S567-S569 WeakPolarHBondContact OG-CB 3.43Å; S567-S569 PolarHBondContact OG-OG 2.98Å; S569-T571 PolarHBondContact O-N 2.95Å; S569-T571 PolarHBondContact OG-OG1 3.3Å
570	K	54.9	Low	79.4	Confident	208 Å²	208	61 Å²	61	90%	0.904	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	18	-179.6	-62.5	-178.2	174.8	-176.7	0	115.1
571	T	65.3	Low	79.8	Confident	40 Å²	40	63.4 Å²	63.4	25%	0.245	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-26.4	-167	62.2	0	0	0	0	114.3	Y564 S569 I573 G650 L651	Y564-T571 VanDerWaalsContact CE2-OG1 3.28Å; Y564-T571 WeakPolarHBondContact CE2-OG1 3.26Å; Y564-T571 VanDerWaalsContact CZ-OG1 3.3Å; Y564-T571 VanDerWaalsContact OH-C 3.3Å; Y564-T571 VanDerWaalsContact OH-CB 3.29Å; Y564-T571 WeakPolarHBondContact OH-CB 3.46Å; Y564-T571 PolarHBondContact OH-O 3.26Å; Y564-T571 PolarHBondContact OH-OG1 2.92Å; S569-T571 PolarHBondContact O-N 2.95Å; S569-T571 PolarHBondContact OG-OG1 3.3Å; T571-I573 PolarHBondContact O-N 2.87Å; T571-G650 WeakPolarHBondContact O-CA 3.47Å; T571-L651 PolarHBondContact O-N 2.82Å
572	Y	77.7	Confident	80.2	Confident	78 Å²	78	68.7 Å²	68.7	31%	0.306	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-73.8	122.8	170.1	178.5	-101.2	0	0	0	110.1	L565 L651	L565-Y572 HydrophobicContact CD2-CD2 3.56Å; L565-Y572 HydrophobicContact CD2-CE2 3.64Å; Y572-L651 WeakPolarHBondContact CD2-O 3.33Å
573	I	83.4	Confident	80.7	Confident	13 Å²	13	71.8 Å²	71.8	7%	0.067	38%	0.383	C	S	.	.			trans	-111.2	120.8	-177	-61.4	174.4	0	0	0	108.7	T571 F578 L597 H649 L651 C652 L661	T571-I573 PolarHBondContact O-N 2.87Å; I573-F578 HydrophobicContact CG2-CD1 3.92Å; I573-F578 HydrophobicContact CG2-CE1 4.44Å; I573-L597 HydrophobicContact CD1-CD1 4.15Å; I573-L597 HydrophobicContact CD1-CD2 4.36Å; I573-L597 HydrophobicContact CG2-CD1 3.98Å; I573-H649 HydrophobicContact CD1-CB 4.33Å; I573-L651 PolarHBondContact N-O 3.12Å; I573-L651 VanDerWaalsContact N-O 3.17Å; I573-C652 WeakPolarHBondContact O-CA 3.44Å; I573-C652 WeakPolarHBondContact O-CB 3.38Å; I573-C652 PolarHBondContact O-SG 3.14Å; I573-L661 HydrophobicContact CB-CD2 4.31Å; I573-L661 HydrophobicContact CD1-CB 4.38Å; I573-L661 HydrophobicContact CD1-CD2 3.62Å; I573-L661 HydrophobicContact CD1-CG 4.49Å; I573-L661 HydrophobicContact CG2-CD2 3.93Å
574	P	84.6	Confident	81	Confident	53 Å²	53	69.9 Å²	69.9	34%	0.344	38%	0.377	S	S	.	.			trans	-70.3	151.6	176.1	29.3	-32.4	0	0	0	110.6	S576 S577	P574-S576 PolarHBondContact O-N 2.69Å; P574-S577 WeakPolarHBondContact CG-OG 3.39Å; P574-S577 WeakPolarHBondContact O-CB 3.5Å; P574-S577 PolarHBondContact O-N 3.49Å
575	K	87.7	Confident	81.1	Confident	53 Å²	53	70.8 Å²	70.8	23%	0.23	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-55.9	-28.7	-178	-175.1	70	-150.2	79.5	0	113.4	S577 F578 C652 D654 Y659	K575-S577 VanDerWaalsContact C-N 3.3Å; K575-S577 PolarHBondContact O-N 3.33Å; K575-F578 HydrophobicContact CD-CE1 4.17Å; K575-F578 HydrophobicContact CD-CE2 4.24Å; K575-F578 HydrophobicContact CD-CZ 3.68Å; K575-F578 PolarHBondContact NZ-O 2.99Å; K575-C652 PolarHBondContact N-SG 2.66Å; K575-D654 HydrophobicContact CB-CB 4.05Å; K575-D654 HydrophobicContact CD-CB 4.1Å; K575-D654 HydrophobicContact CG-CB 4.19Å; K575-Y659 HydrophobicContact CD-CE2 4.36Å
576	S	85.8	Confident	81.2	Confident	111 Å²	111	76 Å²	76	78%	0.776	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-69.8	-21.1	177.8	53.7	0	0	0	0	114.3	P574 F578	P574-S576 PolarHBondContact O-N 2.69Å; S576-F578 VanDerWaalsContact C-N 3.3Å; S576-F578 PolarHBondContact O-N 3.04Å
577	S	88.1	Confident	80.8	Confident	29 Å²	29	73.7 Å²	73.7	20%	0.203	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-81.5	-7.4	-178.1	-67.5	0	0	0	0	113.7	P574 K575 S598	P574-S577 WeakPolarHBondContact CG-OG 3.39Å; P574-S577 WeakPolarHBondContact O-CB 3.5Å; P574-S577 PolarHBondContact O-N 3.49Å; K575-S577 VanDerWaalsContact C-N 3.3Å; K575-S577 PolarHBondContact O-N 3.33Å; S577-S598 PolarHBondContact O-N 3.11Å
578	F	93.1	Very high	80.4	Confident	6 Å²	6	77.9 Å²	77.9	3%	0.026	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.2	178.8	71.4	-85.5	0	0	0	113.8	I573 K575 S576 L580 K596 L597 I612 I614 C652 Y659 L661	I573-F578 HydrophobicContact CG2-CD1 3.92Å; I573-F578 HydrophobicContact CG2-CE1 4.44Å; K575-F578 HydrophobicContact CD-CE1 4.17Å; K575-F578 HydrophobicContact CD-CE2 4.24Å; K575-F578 HydrophobicContact CD-CZ 3.68Å; K575-F578 PolarHBondContact NZ-O 2.99Å; S576-F578 VanDerWaalsContact C-N 3.3Å; S576-F578 PolarHBondContact O-N 3.04Å; F578-L580 HydrophobicContact CE2-CD2 4.46Å; F578-L580 HydrophobicContact CE2-CG 4.5Å; F578-K596 WeakPolarHBondContact CA-O 3.4Å; F578-K596 WeakPolarHBondContact CB-O 3.4Å; F578-L597 HydrophobicContact CB-CD1 4.27Å; F578-I612 HydrophobicContact CB-CD1 4.42Å; F578-I614 HydrophobicContact CD2-CD1 3.63Å; F578-I614 HydrophobicContact CD2-CG1 4.31Å; F578-I614 HydrophobicContact CE2-CD1 4.11Å; F578-I614 HydrophobicContact CE2-CG2 4.11Å; F578-C652 HydrophobicContact CE1-CB 3.56Å; F578-C652 HydrophobicContact CZ-CB 3.9Å; F578-Y659 HydrophobicContact CZ-CD2 4.43Å; F578-Y659 HydrophobicContact CZ-CG 4.1Å; F578-L661 HydrophobicContact CB-CD2 4.05Å; F578-L661 HydrophobicContact CD1-CD1 4.3Å; F578-L661 HydrophobicContact CD1-CD2 3.73Å; F578-L661 HydrophobicContact CD2-CD2 4.47Å; F578-L661 HydrophobicContact CE1-CD1 4.01Å; F578-L661 HydrophobicContact CE1-CD2 4.27Å; F578-L661 HydrophobicContact CE2-CD1 4.48Å; F578-L661 HydrophobicContact CG-CD2 3.83Å; F578-L661 HydrophobicContact CZ-CD1 4.09Å
579	T	93.5	Very high	80.9	Confident	74 Å²	74	72.6 Å²	72.6	45%	0.454	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.9	175.6	57.5	0	0	0	0	111.2	G595 K596 I614	T579-G595 WeakPolarHBondContact O-CA 3.27Å; T579-K596 PolarHBondContact N-O 3.11Å; T579-K596 VanDerWaalsContact N-O 3.09Å; T579-K596 PolarHBondContact O-N 3.11Å; T579-I614 WeakPolarHBondContact O-CD1 3.47Å
580	L	92.9	Very high	82.4	Confident	68 Å²	68	70.4 Å²	70.4	36%	0.356	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.3	167.6	-67.1	165.1	0	0	0	107.3	F578 Y593 I614 Y659	F578-L580 HydrophobicContact CE2-CD2 4.46Å; F578-L580 HydrophobicContact CE2-CG 4.5Å; L580-Y593 HydrophobicContact CD2-CD2 3.83Å; L580-Y593 HydrophobicContact CD2-CG 3.89Å; L580-I614 HydrophobicContact CD2-CB 3.96Å; L580-I614 HydrophobicContact CD2-CD1 3.7Å; L580-I614 HydrophobicContact CD2-CG1 4.44Å; L580-I614 HydrophobicContact CD2-CG2 3.71Å; L580-Y659 HydrophobicContact CD1-CE1 4.05Å
581	E	93.4	Very high	84.2	Confident	66 Å²	66	61.6 Å²	61.6	31%	0.308	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-121	178.2	-60.2	-175.1	160.1	0	0	109.7	K594 K596	E581-K594 WeakPolarHBondContact CA-O 3.45Å; E581-K594 WeakPolarHBondContact CB-O 3.5Å; E581-K594 PolarHBondContact N-O 2.97Å; E581-K596 VanDerWaalsContact OE1-CD 3.3Å; E581-K596 WeakPolarHBondContact OE1-CD 3.18Å; E581-K596 VanDerWaalsContact OE1-CE 3.25Å; E581-K596 WeakPolarHBondContact OE1-CE 3.09Å; E581-K596 IonicContact OE1-NZ 3.79Å; E581-K596 PolarHBondContact OE1-NZ 3.27Å; E581-K596 IonicContact OE2-NZ 3.18Å
582	N	91.9	Very high	85.5	Confident	110 Å²	110	61.8 Å²	61.8	59%	0.588	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.3	-173.3	-61.7	-24.7	0	0	0	112.1	L584 Y593 K594	N582-L584 PolarHBondContact O-N 2.96Å; N582-Y593 CarbonylContact O-C 3.53Å; N582-Y593 WeakPolarHBondContact O-CA 3.5Å; N582-K594 HydrophobicContact CB-CB 4.45Å; N582-K594 PolarHBondContact O-N 3.04Å
583	L	92.8	Very high	86.4	Confident	91 Å²	91	61 Å²	61	48%	0.476	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.5	165.9	178	63.3	0	0	0	109.7	I591 Y593	L583-I591 HydrophobicContact CD1-CG2 3.17Å; L583-Y593 HydrophobicContact CB-CD1 4.34Å; L583-Y593 HydrophobicContact CB-CE1 4.26Å; L583-Y593 HydrophobicContact CD1-CD1 4.36Å; L583-Y593 HydrophobicContact CD1-CE1 4.11Å
584	L	89.3	Confident	87	Confident	89 Å²	89	62.4 Å²	62.4	47%	0.466	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-34.8	175.8	-68	174.9	0	0	0	111.9	N582 V592 K594 A613 L664	N582-L584 PolarHBondContact O-N 2.96Å; L584-V592 HydrophobicContact CB-CG1 4.35Å; L584-V592 WeakPolarHBondContact CB-O 3.47Å; L584-V592 HydrophobicContact CD1-CG1 4.26Å; L584-V592 PolarHBondContact N-O 3.42Å; L584-K594 HydrophobicContact CD1-CB 3.93Å; L584-K594 HydrophobicContact CD2-CB 3.97Å; L584-K594 HydrophobicContact CG-CB 3.86Å; L584-A613 HydrophobicContact CD1-CB 4.4Å; L584-L664 HydrophobicContact CD1-CD1 3.54Å
585	G	85	Confident	87.5	Confident	32 Å²	32	59.9 Å²	59.9	33%	0.33	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	156.2	179.2	0	0	0	0	0	113.3	V592	G585-V592 PolarHBondContact N-O 3.28Å; G585-V592 PolarHBondContact O-N 2.87Å
586	E	83.1	Confident	87.8	Confident	119 Å²	119	60.6 Å²	60.6	56%	0.556	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.8	179.2	-175.5	-177.1	163.5	0	0	109	I591 K618	E586-I591 HydrophobicContact CG-CG1 4.33Å; E586-K618 HydrophobicContact CG-CD 4.48Å; E586-K618 VanDerWaalsContact CG-CE 3.41Å; E586-K618 WeakPolarHBondContact OE1-CE 3.26Å; E586-K618 IonicContact OE1-NZ 3.75Å; E586-K618 PolarHBondContact OE1-NZ 2.99Å
587	G	71	Confident	88.1	Confident	35 Å²	35	55.9 Å²	55.9	36%	0.361	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	-173.3	-178	0	0	0	0	0	113.1	Y589 G590 K618	G587-Y589 PolarHBondContact O-N 3.49Å; G587-G590 PolarHBondContact N-O 3.44Å; G587-G590 PolarHBondContact O-N 3.31Å; G587-K618 WeakPolarHBondContact O-CE 3.41Å; G587-K618 PolarHBondContact O-NZ 3.03Å
588	N	67.5	Low	87.9	Confident	133 Å²	133	57.1 Å²	57.1	71%	0.711	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.2	179.3	-70.4	-8.8	0	0	0	113.3	Q625	N588-Q625 PolarHBondContact O-NE2 2.85Å
589	Y	66.6	Low	86.7	Confident	65 Å²	65	62 Å²	62	26%	0.255	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-14.7	-175.8	-57.3	-72.2	0	0	0	113.9	G587 Y764	G587-Y589 PolarHBondContact O-N 3.49Å; Y589-Y764 AromaticContact CE1-CE2 3.74Å; Y589-Y764 HydrophobicContact CE1-CE2 3.74Å; Y589-Y764 WeakPolarHBondContact CE1-OH 3.45Å
590	G	83	Confident	85	Confident	6 Å²	6	63 Å²	63	6%	0.062	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150	-158.7	-177	0	0	0	0	0	113.8	G587 T616	G587-G590 PolarHBondContact N-O 3.44Å; G587-G590 PolarHBondContact O-N 3.31Å; G590-T616 CarbonylContact C-O 3.55Å; G590-T616 VanDerWaalsContact CA-O 3.31Å; G590-T616 WeakPolarHBondContact CA-O 3.46Å
591	I	91.9	Very high	82.9	Confident	22 Å²	22	64.1 Å²	64.1	11%	0.113	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.4	-177.3	-47.5	-177.8	0	0	0	108.8	L583 E586 Y593 K615 T616 K618	L583-I591 HydrophobicContact CD1-CG2 3.17Å; E586-I591 HydrophobicContact CG-CG1 4.33Å; I591-Y593 HydrophobicContact CB-CE2 3.97Å; I591-Y593 HydrophobicContact CG2-CD2 4.01Å; I591-Y593 HydrophobicContact CG2-CE1 4.3Å; I591-Y593 HydrophobicContact CG2-CE2 3.39Å; I591-K615 WeakPolarHBondContact O-CA 3.24Å; I591-T616 HydrophobicContact CB-CG2 4.2Å; I591-T616 PolarHBondContact N-O 3.4Å; I591-T616 PolarHBondContact O-N 3.25Å; I591-K618 HydrophobicContact CD1-CB 4.47Å; I591-K618 HydrophobicContact CD1-CG 3.99Å; I591-K618 HydrophobicContact CG1-CG 3.67Å
592	V	93.9	Very high	80.8	Confident	44 Å²	44	68.5 Å²	68.5	27%	0.267	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	174.8	-173.9	0	0	0	0	109.5	L584 G585 A613 I614 K615	L584-V592 HydrophobicContact CB-CG1 4.35Å; L584-V592 WeakPolarHBondContact CB-O 3.47Å; L584-V592 HydrophobicContact CD1-CG1 4.26Å; L584-V592 PolarHBondContact N-O 3.42Å; G585-V592 PolarHBondContact N-O 3.28Å; G585-V592 PolarHBondContact O-N 2.87Å; V592-A613 HydrophobicContact CG1-CB 4.18Å; V592-I614 CarbonylContact C-O 3.53Å; V592-I614 WeakPolarHBondContact CA-O 3.45Å; V592-K615 HydrophobicContact CG2-CB 4.36Å; V592-K615 HydrophobicContact CG2-CG 4.13Å
593	Y	95.9	Very high	78.6	Confident	63 Å²	63	67.4 Å²	67.4	25%	0.247	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.6	174.7	-64.2	-86.5	0	0	0	110.8	L580 N582 L583 I591 A613 I614 T616	L580-Y593 HydrophobicContact CD2-CD2 3.83Å; L580-Y593 HydrophobicContact CD2-CG 3.89Å; N582-Y593 CarbonylContact O-C 3.53Å; N582-Y593 WeakPolarHBondContact O-CA 3.5Å; L583-Y593 HydrophobicContact CB-CD1 4.34Å; L583-Y593 HydrophobicContact CB-CE1 4.26Å; L583-Y593 HydrophobicContact CD1-CD1 4.36Å; L583-Y593 HydrophobicContact CD1-CE1 4.11Å; I591-Y593 HydrophobicContact CB-CE2 3.97Å; I591-Y593 HydrophobicContact CG2-CD2 4.01Å; I591-Y593 HydrophobicContact CG2-CE1 4.3Å; I591-Y593 HydrophobicContact CG2-CE2 3.39Å; Y593-A613 CarbonylContact O-C 3.45Å; Y593-A613 WeakPolarHBondContact O-CA 3.35Å; Y593-I614 PolarHBondContact N-O 3.29Å; Y593-I614 PolarHBondContact O-N 3.07Å; Y593-T616 HydrophobicContact CD2-CG2 4.09Å; Y593-T616 HydrophobicContact CE2-CG2 3.82Å
594	K	95.8	Very high	76.5	Confident	42 Å²	42	72.5 Å²	72.5	18%	0.183	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	147.2	157.2	-178.2	169.4	168.8	166.2	0	107.8	E581 N582 L584 E611 L664	E581-K594 WeakPolarHBondContact CA-O 3.45Å; E581-K594 WeakPolarHBondContact CB-O 3.5Å; E581-K594 PolarHBondContact N-O 2.97Å; N582-K594 HydrophobicContact CB-CB 4.45Å; N582-K594 PolarHBondContact O-N 3.04Å; L584-K594 HydrophobicContact CD1-CB 3.93Å; L584-K594 HydrophobicContact CD2-CB 3.97Å; L584-K594 HydrophobicContact CG-CB 3.86Å; K594-E611 WeakPolarHBondContact CE-OE1 3.41Å; K594-E611 WeakPolarHBondContact CE-OE2 3.23Å; K594-E611 IonicContact NZ-OE1 3.9Å; K594-E611 PolarHBondContact NZ-OE1 3.41Å; K594-E611 IonicContact NZ-OE2 2.83Å; K594-E611 PolarHBondContact NZ-OE2 3.4Å; K594-L664 HydrophobicContact CD-CD2 4.15Å; K594-L664 HydrophobicContact CG-CD2 4.3Å
595	G	95.2	Very high	74.7	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-179.5	173.7	0	0	0	0	0	112.9	T579 E611 I612	T579-G595 WeakPolarHBondContact O-CA 3.27Å; G595-E611 WeakPolarHBondContact O-CA 3.47Å; G595-I612 PolarHBondContact N-O 3.37Å; G595-I612 PolarHBondContact O-N 2.95Å
596	K	94.1	Very high	72.9	Confident	68 Å²	68	76.3 Å²	76.3	30%	0.296	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.6	175.4	-72.5	177.9	179.8	128.7	0	110	F578 T579 E581 N609 T610	F578-K596 WeakPolarHBondContact CA-O 3.4Å; F578-K596 WeakPolarHBondContact CB-O 3.4Å; T579-K596 PolarHBondContact N-O 3.11Å; T579-K596 VanDerWaalsContact N-O 3.09Å; T579-K596 PolarHBondContact O-N 3.11Å; E581-K596 VanDerWaalsContact OE1-CD 3.3Å; E581-K596 WeakPolarHBondContact OE1-CD 3.18Å; E581-K596 VanDerWaalsContact OE1-CE 3.25Å; E581-K596 WeakPolarHBondContact OE1-CE 3.09Å; E581-K596 IonicContact OE1-NZ 3.79Å; E581-K596 PolarHBondContact OE1-NZ 3.27Å; E581-K596 IonicContact OE2-NZ 3.18Å; K596-N609 HydrophobicContact CB-CB 4.23Å; K596-N609 HydrophobicContact CD-CB 4.15Å; K596-N609 HydrophobicContact CG-CB 4.37Å; K596-T610 WeakPolarHBondContact CA-O 3.45Å
597	L	91.2	Very high	71.4	Confident	12 Å²	12	76.3 Å²	76.3	6%	0.063	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.8	175.4	178.9	62.9	0	0	0	110	I573 F578 I599 T610 I612 H649 L661	I573-L597 HydrophobicContact CD1-CD1 4.15Å; I573-L597 HydrophobicContact CD1-CD2 4.36Å; I573-L597 HydrophobicContact CG2-CD1 3.98Å; F578-L597 HydrophobicContact CB-CD1 4.27Å; L597-I599 HydrophobicContact CD2-CG1 4.45Å; L597-I599 HydrophobicContact CG-CG1 4.37Å; L597-T610 PolarHBondContact N-O 3.41Å; L597-T610 PolarHBondContact O-N 2.94Å; L597-T610 VanDerWaalsContact O-N 3.08Å; L597-I612 HydrophobicContact CB-CD1 3.93Å; L597-I612 HydrophobicContact CB-CG1 4.24Å; L597-I612 HydrophobicContact CB-CG2 4.06Å; L597-I612 HydrophobicContact CD2-CG2 4.47Å; L597-H649 HydrophobicContact CD2-CB 4.17Å; L597-L661 HydrophobicContact CD1-CD2 3.96Å
598	S	84.8	Confident	71.1	Confident	54 Å²	54	80.4 Å²	80.4	38%	0.378	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	107.1	173.6	-57.5	0	0	0	0	109.4	S577 N609	S577-S598 PolarHBondContact O-N 3.11Å; S598-N609 PolarHBondContact OG-OD1 3.43Å
599	I	68.6	Low	71.7	Confident	110 Å²	110	77.6 Å²	77.6	56%	0.564	43%	0.425	S	S	*	.	S	Bend	trans	-75.3	-26.4	-173	-63.2	173	0	0	0	112.1	L597 T610	L597-I599 HydrophobicContact CD2-CG1 4.45Å; L597-I599 HydrophobicContact CG-CG1 4.37Å; I599-T610 WeakPolarHBondContact CD1-OG1 3.44Å
600	N	57.9	Low	72.8	Confident	94 Å²	94	76.9 Å²	76.9	50%	0.503	43%	0.428	S	S	.	.			trans	-125.4	110.4	179.5	-64.1	-14.1	0	0	0	109.8	D602 D603	N600-D602 VanDerWaalsContact C-N 3.26Å; N600-D603 HydrophobicContact CB-CB 4.37Å
601	A	48.7	Very low	73.3	Confident	92 Å²	92	80.7 Å²	80.7	76%	0.76	44%	0.444	S	S	*	.	S	Bend	trans	-73.1	-21.5	169.9	0	0	0	0	0	112.3
602	D	47.6	Very low	73.5	Confident	158 Å²	158	79.6 Å²	79.6	85%	0.845	44%	0.439	S	S	*	.	S	Bend	trans	-97.9	-7.6	-168.3	-62.1	-22.3	0	0	0	114.7	N600	N600-D602 VanDerWaalsContact C-N 3.26Å
603	D	46.1	Very low	73.6	Confident	87 Å²	87	78 Å²	78	47%	0.465	43%	0.43	S	S	.	.			trans	-114.5	88.4	176	-86.1	-35	0	0	0	110.5	N600 S605 N606	N600-D603 HydrophobicContact CB-CB 4.37Å; D603-S605 PolarHBondContact O-N 3Å; D603-N606 PolarHBondContact O-N 2.98Å
604	E	49.2	Very low	73.6	Confident	197 Å²	197	75 Å²	75	92%	0.921	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.2	171.7	-72.2	-172.8	156.9	0	0	113.3
605	S	50.7	Low	73.6	Confident	98 Å²	98	73.9 Å²	73.9	69%	0.685	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.5	-172.5	67.3	0	0	0	0	115.6	D603	D603-S605 PolarHBondContact O-N 3Å
606	N	47.4	Very low	73.6	Confident	104 Å²	104	74.1 Å²	74.1	56%	0.556	42%	0.415	S	S	*	.			trans	-124.2	87.8	179.1	-98.6	-26.4	0	0	0	110.9	D603 N608	D603-N606 PolarHBondContact O-N 2.98Å; N606-N608 PolarHBondContact O-N 3.2Å
607	T	52.4	Low	73.5	Confident	119 Å²	119	71.1 Å²	71.1	73%	0.73	40%	0.402	S	S	*	.			trans	-69.3	54.5	172.7	55.6	0	0	0	0	112.5	N609	T607-N609 PolarHBondContact O-N 3.29Å
608	N	64.9	Low	73.2	Confident	120 Å²	120	73.7 Å²	73.7	64%	0.642	41%	0.412	S	S	*	.			trans	-81.2	71.1	169.2	-77.5	-11	0	0	0	108.9	N606 T610	N606-N608 PolarHBondContact O-N 3.2Å; N608-T610 PolarHBondContact O-N 2.99Å
609	N	79.6	Confident	73	Confident	75 Å²	75	78.4 Å²	78.4	40%	0.401	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	109.9	170.6	-76.7	-23	0	0	0	108.6	K596 S598 T607	K596-N609 HydrophobicContact CB-CB 4.23Å; K596-N609 HydrophobicContact CD-CB 4.15Å; K596-N609 HydrophobicContact CG-CB 4.37Å; S598-N609 PolarHBondContact OG-OD1 3.43Å; T607-N609 PolarHBondContact O-N 3.29Å
610	T	89.8	Confident	73.1	Confident	50 Å²	50	77 Å²	77	31%	0.307	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.3	175.7	-56.4	0	0	0	0	108.9	K596 L597 I599 N608 I612	K596-T610 WeakPolarHBondContact CA-O 3.45Å; L597-T610 PolarHBondContact N-O 3.41Å; L597-T610 PolarHBondContact O-N 2.94Å; L597-T610 VanDerWaalsContact O-N 3.08Å; I599-T610 WeakPolarHBondContact CD1-OG1 3.44Å; N608-T610 PolarHBondContact O-N 2.99Å; T610-I612 HydrophobicContact CG2-CG2 4.31Å
611	E	94.2	Very high	73.8	Confident	85 Å²	85	74.2 Å²	74.2	40%	0.397	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.2	171.7	-60.5	-162.7	144.1	0	0	110.3	K594 G595 L664	K594-E611 WeakPolarHBondContact CE-OE1 3.41Å; K594-E611 WeakPolarHBondContact CE-OE2 3.23Å; K594-E611 IonicContact NZ-OE1 3.9Å; K594-E611 PolarHBondContact NZ-OE1 3.41Å; K594-E611 IonicContact NZ-OE2 2.83Å; K594-E611 PolarHBondContact NZ-OE2 3.4Å; G595-E611 WeakPolarHBondContact O-CA 3.47Å; E611-L664 HydrophobicContact CB-CD2 3.84Å
612	I	95.3	Very high	75.1	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.1	-175.5	56.8	158.9	0	0	0	111.2	F578 G595 L597 T610 I614 L661 L662	F578-I612 HydrophobicContact CB-CD1 4.42Å; G595-I612 PolarHBondContact N-O 3.37Å; G595-I612 PolarHBondContact O-N 2.95Å; L597-I612 HydrophobicContact CB-CD1 3.93Å; L597-I612 HydrophobicContact CB-CG1 4.24Å; L597-I612 HydrophobicContact CB-CG2 4.06Å; L597-I612 HydrophobicContact CD2-CG2 4.47Å; T610-I612 HydrophobicContact CG2-CG2 4.31Å; I612-I614 HydrophobicContact CD1-CD1 4.01Å; I612-I614 HydrophobicContact CD1-CG1 3.66Å; I612-I614 HydrophobicContact CG1-CD1 4.31Å; I612-I614 HydrophobicContact CG1-CG1 4.11Å; I612-L661 HydrophobicContact CD1-CB 3.96Å; I612-L661 HydrophobicContact CD1-CD2 3.52Å; I612-L661 HydrophobicContact CD1-CG 3.66Å; I612-L662 WeakPolarHBondContact CB-O 3.23Å
613	A	96.4	Very high	76.4	Confident	10 Å²	10	72 Å²	72	8%	0.083	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.3	164.7	0	0	0	0	0	109.5	L584 V592 Y593 L662 L664	L584-A613 HydrophobicContact CD1-CB 4.4Å; V592-A613 HydrophobicContact CG1-CB 4.18Å; Y593-A613 CarbonylContact O-C 3.45Å; Y593-A613 WeakPolarHBondContact O-CA 3.35Å; A613-L662 HydrophobicContact CB-CB 4.39Å; A613-L662 PolarHBondContact N-O 3.32Å; A613-L662 PolarHBondContact O-N 2.87Å; A613-L664 HydrophobicContact CB-CD1 4.21Å
614	I	96.5	Very high	77.8	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	106.9	-177	-57.5	154.7	0	0	0	108	F578 T579 L580 V592 Y593 I612 Y659 I660 L661	F578-I614 HydrophobicContact CD2-CD1 3.63Å; F578-I614 HydrophobicContact CD2-CG1 4.31Å; F578-I614 HydrophobicContact CE2-CD1 4.11Å; F578-I614 HydrophobicContact CE2-CG2 4.11Å; T579-I614 WeakPolarHBondContact O-CD1 3.47Å; L580-I614 HydrophobicContact CD2-CB 3.96Å; L580-I614 HydrophobicContact CD2-CD1 3.7Å; L580-I614 HydrophobicContact CD2-CG1 4.44Å; L580-I614 HydrophobicContact CD2-CG2 3.71Å; V592-I614 CarbonylContact C-O 3.53Å; V592-I614 WeakPolarHBondContact CA-O 3.45Å; Y593-I614 PolarHBondContact N-O 3.29Å; Y593-I614 PolarHBondContact O-N 3.07Å; I612-I614 HydrophobicContact CD1-CD1 4.01Å; I612-I614 HydrophobicContact CD1-CG1 3.66Å; I612-I614 HydrophobicContact CG1-CD1 4.31Å; I612-I614 HydrophobicContact CG1-CG1 4.11Å; I614-Y659 HydrophobicContact CG2-CD1 3.97Å; I614-Y659 HydrophobicContact CG2-CG 4.47Å; I614-I660 CarbonylContact C-O 3.58Å; I614-I660 WeakPolarHBondContact CA-O 3.37Å; I614-L661 HydrophobicContact CG1-CG 4.36Å
615	K	95.6	Very high	79.3	Confident	19 Å²	19	63.4 Å²	63.4	8%	0.083	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	178.6	-170.5	177.7	-169.8	-177.6	0	109.7	I591 V592 L629 E632 Y659 I660 L662 D761	I591-K615 WeakPolarHBondContact O-CA 3.24Å; V592-K615 HydrophobicContact CG2-CB 4.36Å; V592-K615 HydrophobicContact CG2-CG 4.13Å; K615-L629 HydrophobicContact CD-CD1 3.94Å; K615-L629 HydrophobicContact CG-CD1 3.89Å; K615-E632 WeakPolarHBondContact CE-OE2 3.17Å; K615-E632 VanDerWaalsContact NZ-CD 3.25Å; K615-E632 IonicContact NZ-OE1 2.76Å; K615-E632 PolarHBondContact NZ-OE1 3.17Å; K615-E632 IonicContact NZ-OE2 2.82Å; K615-E632 PolarHBondContact NZ-OE2 2.89Å; K615-Y659 WeakPolarHBondContact O-CA 3.48Å; K615-I660 HydrophobicContact CB-CB 4.36Å; K615-I660 PolarHBondContact N-O 2.89Å; K615-I660 PolarHBondContact O-N 2.77Å; K615-L662 HydrophobicContact CB-CD1 4.39Å; K615-D761 VanDerWaalsContact NZ-CG 3.3Å; K615-D761 IonicContact NZ-OD1 3.66Å; K615-D761 PolarHBondContact NZ-OD1 2.85Å; K615-D761 IonicContact NZ-OD2 3.8Å; K615-D761 PolarHBondContact NZ-OD2 3.38Å
616	T	94.6	Very high	80.9	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	174.8	-176.7	-161.3	0	0	0	0	111.5	G590 I591 Y593 H657 P658 Y659	G590-T616 CarbonylContact C-O 3.55Å; G590-T616 VanDerWaalsContact CA-O 3.31Å; G590-T616 WeakPolarHBondContact CA-O 3.46Å; I591-T616 HydrophobicContact CB-CG2 4.2Å; I591-T616 PolarHBondContact N-O 3.4Å; I591-T616 PolarHBondContact O-N 3.25Å; Y593-T616 HydrophobicContact CD2-CG2 4.09Å; Y593-T616 HydrophobicContact CE2-CG2 3.82Å; T616-H657 PolarHBondContact OG1-CD2 2.74Å; T616-H657 PolarHBondContact OG1-NE2 3.47Å; T616-P658 PolarHBondContact OG1-O 2.73Å; T616-Y659 HydrophobicContact CG2-CD1 4.27Å; T616-Y659 HydrophobicContact CG2-CE1 4.23Å; T616-Y659 WeakPolarHBondContact OG1-CD1 3.35Å; T616-Y659 WeakPolarHBondContact OG1-CE1 3.43Å
617	L	91	Very high	82.6	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-96.1	152.7	-175.2	-61.6	175.3	0	0	0	111.4	F621 Q625 L626 L629 H657 P658	L617-F621 HydrophobicContact CB-CB 3.97Å; L617-F621 HydrophobicContact CB-CD1 3.53Å; L617-F621 HydrophobicContact CB-CE1 4.1Å; L617-F621 HydrophobicContact CB-CG 3.8Å; L617-F621 HydrophobicContact CD1-CB 4.22Å; L617-F621 HydrophobicContact CD1-CD1 3.79Å; L617-F621 HydrophobicContact CD1-CD2 3.5Å; L617-F621 VanDerWaalsContact CD1-CD2 3.5Å; L617-F621 HydrophobicContact CD1-CE1 3.91Å; L617-F621 HydrophobicContact CD1-CE2 3.65Å; L617-F621 HydrophobicContact CD1-CG 3.56Å; L617-F621 HydrophobicContact CD1-CZ 3.82Å; L617-F621 HydrophobicContact CG-CD1 4.28Å; L617-F621 HydrophobicContact CG-CG 4.23Å; L617-Q625 HydrophobicContact CD2-CB 4Å; L617-L626 HydrophobicContact CD1-CB 4.21Å; L617-L626 HydrophobicContact CD1-CD1 3.83Å; L617-L629 HydrophobicContact CD1-CD2 4.18Å; L617-L629 HydrophobicContact CD2-CB 4.18Å; L617-L629 HydrophobicContact CD2-CD2 3.85Å; L617-L629 HydrophobicContact CG-CD2 3.65Å; L617-H657 PolarHBondContact O-CE1 3.37Å; L617-H657 PolarHBondContact O-NE2 3.38Å; L617-P658 HydrophobicContact CD1-CG 3.89Å; L617-P658 HydrophobicContact CG-CG 4.31Å
618	K	86.7	Confident	84.2	Confident	66 Å²	66	49.1 Å²	49.1	29%	0.287	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-70.6	156.9	169.1	-58.6	-170.6	-170.7	-165.3	0	110.4	E586 G587 I591 F621	E586-K618 HydrophobicContact CG-CD 4.48Å; E586-K618 VanDerWaalsContact CG-CE 3.41Å; E586-K618 WeakPolarHBondContact OE1-CE 3.26Å; E586-K618 IonicContact OE1-NZ 3.75Å; E586-K618 PolarHBondContact OE1-NZ 2.99Å; G587-K618 WeakPolarHBondContact O-CE 3.41Å; G587-K618 PolarHBondContact O-NZ 3.03Å; I591-K618 HydrophobicContact CD1-CB 4.47Å; I591-K618 HydrophobicContact CD1-CG 3.99Å; I591-K618 HydrophobicContact CG1-CG 3.67Å; K618-F621 WeakPolarHBondContact O-CB 3.46Å; K618-F621 VanDerWaalsContact O-CD1 3.3Å; K618-F621 WeakPolarHBondContact O-CD1 3.33Å; K618-F621 PolarHBondContact O-N 3.26Å
619	D	79.3	Confident	85.5	Confident	154 Å²	154	43.8 Å²	43.8	82%	0.824	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	143.6	170.1	-64	-38.2	0	0	0	111.1	F621	D619-F621 VanDerWaalsContact C-N 3.33Å; D619-F621 PolarHBondContact O-N 3.01Å
620	G	70.9	Confident	86	Confident	79 Å²	79	40.2 Å²	40.2	81%	0.814	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	20.1	-176.3	0	0	0	0	0	115.2
621	F	73.9	Confident	85.9	Confident	36 Å²	36	39.1 Å²	39.1	16%	0.158	20%	0.202	C	C	.	.			trans	-57.7	146.8	179.6	64.8	-97.7	0	0	0	113.3	R535 L617 K618 D619 Q625 L626	R535-F621 VanDerWaalsContact NH1-CZ 3.33Å; L617-F621 HydrophobicContact CB-CB 3.97Å; L617-F621 HydrophobicContact CB-CD1 3.53Å; L617-F621 HydrophobicContact CB-CE1 4.1Å; L617-F621 HydrophobicContact CB-CG 3.8Å; L617-F621 HydrophobicContact CD1-CB 4.22Å; L617-F621 HydrophobicContact CD1-CD1 3.79Å; L617-F621 HydrophobicContact CD1-CD2 3.5Å; L617-F621 VanDerWaalsContact CD1-CD2 3.5Å; L617-F621 HydrophobicContact CD1-CE1 3.91Å; L617-F621 HydrophobicContact CD1-CE2 3.65Å; L617-F621 HydrophobicContact CD1-CG 3.56Å; L617-F621 HydrophobicContact CD1-CZ 3.82Å; L617-F621 HydrophobicContact CG-CD1 4.28Å; L617-F621 HydrophobicContact CG-CG 4.23Å; K618-F621 WeakPolarHBondContact O-CB 3.46Å; K618-F621 VanDerWaalsContact O-CD1 3.3Å; K618-F621 WeakPolarHBondContact O-CD1 3.33Å; K618-F621 PolarHBondContact O-N 3.26Å; D619-F621 VanDerWaalsContact C-N 3.33Å; D619-F621 PolarHBondContact O-N 3.01Å; F621-Q625 HydrophobicContact CB-CB 4.45Å; F621-L626 HydrophobicContact CD2-CB 4.09Å; F621-L626 HydrophobicContact CE2-CB 3.78Å; F621-L626 HydrophobicContact CE2-CD1 3.87Å; F621-L626 HydrophobicContact CE2-CD2 4.11Å; F621-L626 HydrophobicContact CE2-CG 4.13Å; F621-L626 HydrophobicContact CZ-CD1 4.17Å
622	R	74.3	Confident	85.9	Confident	154 Å²	154	35.2 Å²	35.2	58%	0.581	18%	0.184	S	C	*	.			trans	-80.6	152.9	175	-68.7	-175	-106.3	-174.1	-6	111.1	R624 Q625 L626 Y782	R622-R624 PolarHBondContact O-N 3.39Å; R622-Q625 PolarHBondContact O-N 3.36Å; R622-L626 PolarHBondContact O-N 3.31Å; R622-Y782 VanDerWaalsContact CZ-OH 3.25Å; R622-Y782 PolarHBondContact NH1-OH 2.91Å; R622-Y782 PolarHBondContact NH2-OH 2.81Å; R622-Y782 VanDerWaalsContact NH2-OH 3.13Å
623	N	75	Confident	85.7	Confident	50 Å²	50	35.2 Å²	35.2	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-54.1	-27.4	177.6	-66.7	-35.4	0	0	0	113.4	R535 Q539 L626 I627	R535-N623 WeakPolarHBondContact CB-OD1 3.23Å; R535-N623 VanDerWaalsContact O-CG 3.28Å; R535-N623 PolarHBondContact O-ND2 3.16Å; Q539-N623 HydrophobicContact CG-CB 4.47Å; N623-L626 WeakPolarHBondContact O-CB 3.45Å; N623-L626 PolarHBondContact O-N 3.06Å; N623-I627 VanDerWaalsContact O-CG1 3.25Å; N623-I627 WeakPolarHBondContact O-CG1 3.32Å; N623-I627 PolarHBondContact O-N 2.68Å
624	R	75.2	Confident	85.5	Confident	54 Å²	54	36.2 Å²	36.2	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-39.4	175.8	-161.5	176.4	102.7	132.3	12	113.4	R622 L626 I627 N628 Y764 D779 Y782	R622-R624 PolarHBondContact O-N 3.39Å; R624-L626 VanDerWaalsContact C-N 3.3Å; R624-I627 PolarHBondContact O-N 2.71Å; R624-N628 PolarHBondContact O-N 3.25Å; R624-N628 PolarHBondContact O-OD1 3.49Å; R624-Y764 PolarHBondContact NH2-OH 2.97Å; R624-Y764 VanDerWaalsContact NH2-OH 3.13Å; R624-D779 VanDerWaalsContact CD-OD2 3.23Å; R624-D779 WeakPolarHBondContact CD-OD2 3.29Å; R624-D779 IonicContact CZ-OD2 3.07Å; R624-D779 IonicContact NE-OD2 2.73Å; R624-D779 VanDerWaalsContact NH1-CB 3.31Å; R624-D779 VanDerWaalsContact NH1-CG 3.31Å; R624-D779 IonicContact NH1-OD2 2.9Å; R624-D779 PolarHBondContact NH1-OD2 2.93Å; R624-Y782 VanDerWaalsContact NH2-CD2 3.27Å
625	Q	82.2	Confident	85.4	Confident	50 Å²	50	36.9 Å²	36.9	23%	0.234	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-38.2	175.2	-68.8	165.4	-53.6	0	0	110.3	N588 L617 F621 R622 N628 L629	N588-Q625 PolarHBondContact O-NE2 2.85Å; L617-Q625 HydrophobicContact CD2-CB 4Å; F621-Q625 HydrophobicContact CB-CB 4.45Å; R622-Q625 PolarHBondContact O-N 3.36Å; Q625-N628 PolarHBondContact O-N 2.96Å; Q625-L629 WeakPolarHBondContact O-CB 3.45Å; Q625-L629 PolarHBondContact O-N 3.48Å
626	L	84.3	Confident	85.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-47.8	171.7	-173.9	63.7	0	0	0	112.5	F532 R535 L617 F621 R622 N623 R624 L629 L630 P658	F532-L626 HydrophobicContact CD1-CD1 4.33Å; F532-L626 HydrophobicContact CD1-CD2 3.85Å; F532-L626 HydrophobicContact CD1-CG 4.21Å; F532-L626 HydrophobicContact CE1-CD1 3.43Å; F532-L626 VanDerWaalsContact CE1-CD1 3.43Å; F532-L626 HydrophobicContact CE1-CD2 3.77Å; F532-L626 HydrophobicContact CE1-CG 3.77Å; F532-L626 HydrophobicContact CZ-CD1 3.9Å; R535-L626 HydrophobicContact CB-CD2 4.16Å; L617-L626 HydrophobicContact CD1-CB 4.21Å; L617-L626 HydrophobicContact CD1-CD1 3.83Å; F621-L626 HydrophobicContact CD2-CB 4.09Å; F621-L626 HydrophobicContact CE2-CB 3.78Å; F621-L626 HydrophobicContact CE2-CD1 3.87Å; F621-L626 HydrophobicContact CE2-CD2 4.11Å; F621-L626 HydrophobicContact CE2-CG 4.13Å; F621-L626 HydrophobicContact CZ-CD1 4.17Å; R622-L626 PolarHBondContact O-N 3.31Å; N623-L626 WeakPolarHBondContact O-CB 3.45Å; N623-L626 PolarHBondContact O-N 3.06Å; R624-L626 VanDerWaalsContact C-N 3.3Å; L626-L629 PolarHBondContact O-N 3.47Å; L626-L630 WeakPolarHBondContact O-CB 3.46Å; L626-L630 WeakPolarHBondContact O-CG 3.38Å; L626-L630 PolarHBondContact O-N 3.49Å; L626-P658 HydrophobicContact CD1-CG 3.77Å
627	I	83.5	Confident	85.2	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-49.4	177.1	-72.6	164.4	0	0	0	110.7	L536 L557 N623 R624 L629 L630 R631	L536-I627 HydrophobicContact CD2-CB 4.47Å; L536-I627 HydrophobicContact CD2-CD1 3.66Å; L536-I627 HydrophobicContact CD2-CG1 3.11Å; L557-I627 HydrophobicContact CD2-CG2 4.26Å; N623-I627 VanDerWaalsContact O-CG1 3.25Å; N623-I627 WeakPolarHBondContact O-CG1 3.32Å; N623-I627 PolarHBondContact O-N 2.68Å; R624-I627 PolarHBondContact O-N 2.71Å; I627-L629 PolarHBondContact O-N 3.05Å; I627-L630 PolarHBondContact O-N 2.89Å; I627-R631 HydrophobicContact CG2-CG 4.3Å; I627-R631 VanDerWaalsContact CG2-NE 3.28Å; I627-R631 WeakPolarHBondContact O-CB 3.39Å; I627-R631 VanDerWaalsContact O-CG 3.29Å; I627-R631 WeakPolarHBondContact O-CG 3.39Å; I627-R631 PolarHBondContact O-N 2.96Å
628	N	86.1	Confident	85.2	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-43.5	-178.2	-73.1	5.2	0	0	0	111.5	R624 Q625 R631 E632 G763 Y764	R624-N628 PolarHBondContact O-N 3.25Å; R624-N628 PolarHBondContact O-OD1 3.49Å; Q625-N628 PolarHBondContact O-N 2.96Å; N628-R631 PolarHBondContact O-N 3.24Å; N628-E632 PolarHBondContact O-N 3.36Å; N628-G763 VanDerWaalsContact O-CA 3.26Å; N628-G763 WeakPolarHBondContact O-CA 3.29Å; N628-G763 PolarHBondContact OD1-O 3.17Å; N628-Y764 WeakPolarHBondContact ND2-CE1 3.31Å; N628-Y764 PolarHBondContact ND2-OH 3.24Å
629	L	90.5	Very high	85.5	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-45.4	177.1	-170.5	70	0	0	0	111.4	K615 L617 Q625 L626 I627 R631 E632 A633 P658 I660	K615-L629 HydrophobicContact CD-CD1 3.94Å; K615-L629 HydrophobicContact CG-CD1 3.89Å; L617-L629 HydrophobicContact CD1-CD2 4.18Å; L617-L629 HydrophobicContact CD2-CB 4.18Å; L617-L629 HydrophobicContact CD2-CD2 3.85Å; L617-L629 HydrophobicContact CG-CD2 3.65Å; Q625-L629 WeakPolarHBondContact O-CB 3.45Å; Q625-L629 PolarHBondContact O-N 3.48Å; L626-L629 PolarHBondContact O-N 3.47Å; I627-L629 PolarHBondContact O-N 3.05Å; L629-R631 VanDerWaalsContact C-N 3.32Å; L629-R631 PolarHBondContact O-N 3.21Å; L629-E632 WeakPolarHBondContact O-CB 3.23Å; L629-E632 PolarHBondContact O-N 2.86Å; L629-A633 PolarHBondContact O-N 3.36Å; L629-P658 HydrophobicContact CD2-CB 4.02Å; L629-P658 HydrophobicContact CD2-CG 3.62Å; L629-I660 HydrophobicContact CD1-CD1 3.32Å; L629-I660 HydrophobicContact CD1-CG1 3.87Å; L629-I660 HydrophobicContact CG-CD1 3.68Å; L629-I660 HydrophobicContact CG-CG1 4.03Å; L629-I660 VanDerWaalsContact O-CD1 3.29Å; L629-I660 WeakPolarHBondContact O-CD1 3.46Å
630	L	90.4	Very high	86.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-36.1	176	-76.2	-173.6	0	0	0	113.3	F532 L557 L561 L626 I627 E632 A633 K634 L651	F532-L630 HydrophobicContact CD1-CD1 3.4Å; F532-L630 VanDerWaalsContact CD1-CD1 3.4Å; F532-L630 HydrophobicContact CD1-CG 4.43Å; F532-L630 HydrophobicContact CE1-CD1 3.37Å; F532-L630 HydrophobicContact CE1-CD2 4.03Å; F532-L630 HydrophobicContact CE1-CG 3.92Å; L557-L630 HydrophobicContact CD1-CB 4.15Å; L557-L630 HydrophobicContact CD2-CB 3.93Å; L557-L630 HydrophobicContact CD2-CD1 4.31Å; L557-L630 HydrophobicContact CG-CB 4.28Å; L561-L630 HydrophobicContact CD1-CD2 4.5Å; L561-L630 HydrophobicContact CD2-CD1 4.28Å; L626-L630 WeakPolarHBondContact O-CB 3.46Å; L626-L630 WeakPolarHBondContact O-CG 3.38Å; L626-L630 PolarHBondContact O-N 3.49Å; I627-L630 PolarHBondContact O-N 2.89Å; L630-E632 VanDerWaalsContact C-N 3.34Å; L630-A633 PolarHBondContact O-N 3.35Å; L630-K634 WeakPolarHBondContact O-CB 3.44Å; L630-K634 PolarHBondContact O-N 3.37Å; L630-L651 HydrophobicContact CD2-CD2 4.38Å
631	R	88.6	Confident	87.3	Confident	26 Å²	26	42.6 Å²	42.6	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-42	174.1	-77.8	176.4	-174.3	166.2	0.3	111.6	L557 I627 N628 L629 A633 K634 V635 Y775 M776	L557-R631 HydrophobicContact CD1-CG 4.23Å; L557-R631 HydrophobicContact CD2-CG 4.18Å; I627-R631 HydrophobicContact CG2-CG 4.3Å; I627-R631 VanDerWaalsContact CG2-NE 3.28Å; I627-R631 WeakPolarHBondContact O-CB 3.39Å; I627-R631 VanDerWaalsContact O-CG 3.29Å; I627-R631 WeakPolarHBondContact O-CG 3.39Å; I627-R631 PolarHBondContact O-N 2.96Å; N628-R631 PolarHBondContact O-N 3.24Å; L629-R631 VanDerWaalsContact C-N 3.32Å; L629-R631 PolarHBondContact O-N 3.21Å; R631-A633 VanDerWaalsContact C-N 3.31Å; R631-A633 PolarHBondContact O-N 3.09Å; R631-K634 WeakPolarHBondContact O-CB 3.47Å; R631-K634 PolarHBondContact O-N 2.86Å; R631-K634 VanDerWaalsContact O-N 3.17Å; R631-V635 WeakPolarHBondContact O-CG2 3.42Å; R631-V635 PolarHBondContact O-N 2.76Å; R631-Y775 VanDerWaalsContact CZ-CZ 3.43Å; R631-Y775 PolarHBondContact NE-OH 3.43Å; R631-Y775 PolarHBondContact NH2-OH 3.34Å; R631-M776 PolarHBondContact NH1-SD 2.94Å; R631-M776 VanDerWaalsContact NH1-SD 3.41Å
632	E	92.9	Very high	88.4	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-46.9	175	-179	176.1	-171.7	0	0	110.7	K615 N628 L629 L630 K634 L636 I660 D761 F762	K615-E632 WeakPolarHBondContact CE-OE2 3.17Å; K615-E632 VanDerWaalsContact NZ-CD 3.25Å; K615-E632 IonicContact NZ-OE1 2.76Å; K615-E632 PolarHBondContact NZ-OE1 3.17Å; K615-E632 IonicContact NZ-OE2 2.82Å; K615-E632 PolarHBondContact NZ-OE2 2.89Å; N628-E632 PolarHBondContact O-N 3.36Å; L629-E632 WeakPolarHBondContact O-CB 3.23Å; L629-E632 PolarHBondContact O-N 2.86Å; L630-E632 VanDerWaalsContact C-N 3.34Å; E632-K634 VanDerWaalsContact C-N 3.35Å; E632-K634 PolarHBondContact O-N 3.43Å; E632-L636 HydrophobicContact CG-CD1 4.02Å; E632-L636 VanDerWaalsContact O-CB 3.25Å; E632-L636 WeakPolarHBondContact O-CB 3.44Å; E632-L636 WeakPolarHBondContact O-CG 3.35Å; E632-L636 PolarHBondContact O-N 2.87Å; E632-I660 HydrophobicContact CB-CD1 4.18Å; E632-I660 HydrophobicContact CG-CD1 4.17Å; E632-D761 WeakPolarHBondContact OE1-CA 3.46Å; E632-F762 HydrophobicContact CG-CB 4.29Å; E632-F762 HydrophobicContact CG-CD2 4.21Å
633	A	92.9	Very high	89.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-41.7	174.4	0	0	0	0	0	112.5	W560 L629 L630 R631 S637 F648 L651 I660	W560-A633 HydrophobicContact CH2-CB 3.86Å; L629-A633 PolarHBondContact O-N 3.36Å; L630-A633 PolarHBondContact O-N 3.35Å; R631-A633 VanDerWaalsContact C-N 3.31Å; R631-A633 PolarHBondContact O-N 3.09Å; A633-S637 WeakPolarHBondContact O-CB 3.31Å; A633-S637 PolarHBondContact O-N 3.4Å; A633-S637 PolarHBondContact O-OG 2.75Å; A633-F648 HydrophobicContact CB-CE2 4.4Å; A633-L651 HydrophobicContact CB-CD1 4.29Å; A633-L651 HydrophobicContact CB-CD2 4.42Å; A633-I660 HydrophobicContact CB-CD1 3.87Å; A633-I660 HydrophobicContact CB-CG1 4.13Å
634	K	92	Very high	90.6	Very high	30 Å²	30	38 Å²	38	13%	0.13	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-59.1	176.5	174.9	-179.3	176.2	-156.3	0	111.7	L557 W560 L630 R631 E632 L636 S637 E638 E770	L557-K634 HydrophobicContact CD1-CB 4.22Å; L557-K634 HydrophobicContact CD1-CD 4.08Å; W560-K634 HydrophobicContact CB-CD 4.11Å; W560-K634 HydrophobicContact CB-CG 4.48Å; W560-K634 HydrophobicContact CD2-CB 3.63Å; W560-K634 HydrophobicContact CD2-CD 4.16Å; W560-K634 HydrophobicContact CD2-CG 3.71Å; W560-K634 VanDerWaalsContact CE2-CA 3.45Å; W560-K634 HydrophobicContact CE3-CB 3.83Å; W560-K634 HydrophobicContact CE3-CG 4.33Å; W560-K634 HydrophobicContact CG-CB 4.19Å; W560-K634 HydrophobicContact CG-CD 3.87Å; W560-K634 HydrophobicContact CG-CG 3.7Å; W560-K634 HydrophobicContact CH2-CB 4.03Å; W560-K634 HydrophobicContact CZ2-CB 3.87Å; W560-K634 HydrophobicContact CZ3-CB 4.01Å; L630-K634 WeakPolarHBondContact O-CB 3.44Å; L630-K634 PolarHBondContact O-N 3.37Å; R631-K634 WeakPolarHBondContact O-CB 3.47Å; R631-K634 PolarHBondContact O-N 2.86Å; R631-K634 VanDerWaalsContact O-N 3.17Å; E632-K634 VanDerWaalsContact C-N 3.35Å; E632-K634 PolarHBondContact O-N 3.43Å; K634-L636 VanDerWaalsContact C-N 3.32Å; K634-L636 PolarHBondContact O-N 2.93Å; K634-S637 PolarHBondContact O-N 3.03Å; K634-S637 VanDerWaalsContact O-N 3.13Å; K634-S637 PolarHBondContact O-OG 3.35Å; K634-E638 VanDerWaalsContact CE-OE1 3.32Å; K634-E638 WeakPolarHBondContact CE-OE1 3.42Å; K634-E638 PolarHBondContact O-N 3.07Å; K634-E770 IonicContact NZ-OE1 3.58Å
635	V	93.1	Very high	91.7	Very high	15 Å²	15	35.7 Å²	35.7	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-56.1	-52.1	-177.6	171.6	0	0	0	0	109.1	R631 S637 E638 L639 F734 F762 A765	R631-V635 WeakPolarHBondContact O-CG2 3.42Å; R631-V635 PolarHBondContact O-N 2.76Å; V635-S637 VanDerWaalsContact C-N 3.29Å; V635-S637 PolarHBondContact O-N 2.88Å; V635-E638 PolarHBondContact O-N 2.9Å; V635-E638 VanDerWaalsContact O-N 3.1Å; V635-L639 HydrophobicContact CG1-CD1 4.12Å; V635-L639 HydrophobicContact CG1-CG 4.41Å; V635-L639 WeakPolarHBondContact O-CG 3.37Å; V635-L639 PolarHBondContact O-N 3.32Å; V635-F734 HydrophobicContact CG1-CZ 4.44Å; V635-F762 HydrophobicContact CB-CB 4.08Å; V635-F762 HydrophobicContact CG1-CB 3.99Å; V635-F762 HydrophobicContact CG1-CD1 4.42Å; V635-F762 HydrophobicContact CG1-CG 4.15Å; V635-A765 HydrophobicContact CG2-CB 4.17Å
636	L	94.2	Very high	92.4	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-35	179.6	-82.7	174.5	0	0	0	114.7	E632 K634 E638 I645 I646 F648 L662 F762	E632-L636 HydrophobicContact CG-CD1 4.02Å; E632-L636 VanDerWaalsContact O-CB 3.25Å; E632-L636 WeakPolarHBondContact O-CB 3.44Å; E632-L636 WeakPolarHBondContact O-CG 3.35Å; E632-L636 PolarHBondContact O-N 2.87Å; K634-L636 VanDerWaalsContact C-N 3.32Å; K634-L636 PolarHBondContact O-N 2.93Å; L636-E638 VanDerWaalsContact C-N 3.29Å; L636-E638 PolarHBondContact O-N 3.38Å; L636-I645 HydrophobicContact CD2-CG2 4.17Å; L636-I646 HydrophobicContact CD2-CG2 4.3Å; L636-I646 WeakPolarHBondContact CD2-O 2.99Å; L636-F648 HydrophobicContact CB-CB 3.73Å; L636-F648 HydrophobicContact CB-CD1 4.39Å; L636-F648 HydrophobicContact CB-CD2 4.11Å; L636-F648 HydrophobicContact CB-CG 3.84Å; L636-F648 HydrophobicContact CD1-CB 4.28Å; L636-F648 HydrophobicContact CD1-CD2 4.28Å; L636-F648 HydrophobicContact CD2-CB 4.3Å; L636-F648 HydrophobicContact CG-CB 4.34Å; L636-L662 HydrophobicContact CD1-CD2 3.62Å; L636-F762 HydrophobicContact CD1-CD2 3.88Å; L636-F762 HydrophobicContact CD1-CE2 4.06Å; L636-F762 HydrophobicContact CD2-CD2 3.72Å; L636-F762 HydrophobicContact CD2-CE2 3.33Å; L636-F762 HydrophobicContact CD2-CZ 4.23Å; L636-F762 HydrophobicContact CG-CD2 3.5Å; L636-F762 HydrophobicContact CG-CE2 3.69Å
637	S	91.9	Very high	92.9	Very high	35 Å²	35	40.2 Å²	40.2	25%	0.245	20%	0.204	C	C	.	.	H	α-helix	trans	-71.9	-22.3	178.9	72.5	0	0	0	0	114	W560 A633 K634 V635	W560-S637 WeakPolarHBondContact CZ2-OG 3.45Å; W560-S637 PolarHBondContact NE1-OG 2.81Å; A633-S637 WeakPolarHBondContact O-CB 3.31Å; A633-S637 PolarHBondContact O-N 3.4Å; A633-S637 PolarHBondContact O-OG 2.75Å; K634-S637 PolarHBondContact O-N 3.03Å; K634-S637 VanDerWaalsContact O-N 3.13Å; K634-S637 PolarHBondContact O-OG 3.35Å; V635-S637 VanDerWaalsContact C-N 3.29Å; V635-S637 PolarHBondContact O-N 2.88Å
638	E	91.3	Very high	93.5	Very high	122 Å²	122	41.3 Å²	41.3	57%	0.57	21%	0.208	S	C	*	.	H	α-helix	trans	-96.1	-15.5	-177.8	-69	174.6	-178.8	0	0	112.4	K634 V635 L636	K634-E638 VanDerWaalsContact CE-OE1 3.32Å; K634-E638 WeakPolarHBondContact CE-OE1 3.42Å; K634-E638 PolarHBondContact O-N 3.07Å; V635-E638 PolarHBondContact O-N 2.9Å; V635-E638 VanDerWaalsContact O-N 3.1Å; L636-E638 VanDerWaalsContact C-N 3.29Å; L636-E638 PolarHBondContact O-N 3.38Å
639	L	93.4	Very high	93.8	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.12	21%	0.214	C	C	.	.	S	Bend	trans	-77.5	143.3	176.9	-64.8	177.1	0	0	0	111.7	V635 I645 Y733 F734 L737 L739	V635-L639 HydrophobicContact CG1-CD1 4.12Å; V635-L639 HydrophobicContact CG1-CG 4.41Å; V635-L639 WeakPolarHBondContact O-CG 3.37Å; V635-L639 PolarHBondContact O-N 3.32Å; L639-I645 HydrophobicContact CD1-CD1 4.42Å; L639-I645 HydrophobicContact CD1-CG2 4.2Å; L639-Y733 HydrophobicContact CD2-CE1 3.95Å; L639-F734 HydrophobicContact CD1-CE2 3.86Å; L639-F734 HydrophobicContact CD1-CZ 4.01Å; L639-L737 HydrophobicContact CD2-CD1 3.47Å; L639-L737 VanDerWaalsContact CD2-CD1 3.47Å; L639-L739 HydrophobicContact CD2-CD1 3.71Å
640	E	93.5	Very high	93.9	Very high	142 Å²	142	42.3 Å²	42.3	66%	0.664	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-71.2	152.3	166	-61.2	-175.5	160.8	0	0	110.2	H642 Y733	E640-H642 PolarHBondContact O-N 2.89Å; E640-H642 VanDerWaalsContact O-N 3.12Å; E640-Y733 WeakPolarHBondContact CB-OH 3.39Å; E640-Y733 PolarHBondContact N-OH 3.12Å
641	P	94.4	Very high	94	Very high	114 Å²	114	42.3 Å²	42.3	74%	0.74	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-56.6	119.9	175.2	-24.8	34.5	0	0	0	111.6
642	H	97.5	Very high	94.1	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.167	21%	0.208	C	C	.	.			trans	-123.1	139.2	-179	-172.6	-86.6	0	0	0	110.3	E640 H644 I645 D729 Y733	E640-H642 PolarHBondContact O-N 2.89Å; E640-H642 VanDerWaalsContact O-N 3.12Å; H642-H644 AromaticContact CE1-ND1 3.91Å; H642-H644 PolarHBondContact ND1-N 2.93Å; H642-H644 PolarHBondContact O-N 2.78Å; H642-I645 HydrophobicContact CB-CB 4.14Å; H642-I645 HydrophobicContact CB-CD1 3.84Å; H642-I645 HydrophobicContact CB-CG1 4.29Å; H642-I645 PolarHBondContact O-N 2.83Å; H642-D729 IonicContact CE1-OD2 2.76Å; H642-D729 PolarHBondContact CE1-OD2 3.25Å; H642-D729 VanDerWaalsContact CE1-OD2 3.22Å; H642-D729 IonicContact NE2-OD2 3.41Å; H642-D729 PolarHBondContact NE2-OD2 3.46Å; H642-Y733 HydrophobicContact CB-CD1 4.41Å; H642-Y733 HydrophobicContact CB-CE1 4.47Å; H642-Y733 AromaticContact CD2-CD1 4Å; H642-Y733 AromaticContact CD2-CG 3.81Å
643	P	96.7	Very high	93.9	Very high	75 Å²	75	41.2 Å²	41.2	49%	0.487	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.7	-174.6	22.1	-34.3	0	0	0	113.9	K758	P643-K758 WeakPolarHBondContact O-CE 3.17Å
644	H	98.4	Very high	93.6	Very high	32 Å²	32	43.9 Å²	43.9	15%	0.148	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	16.9	-173.9	-49.7	124	0	0	0	114.1	H642 D726 D729 A730 K758 L759	H642-H644 AromaticContact CE1-ND1 3.91Å; H642-H644 PolarHBondContact ND1-N 2.93Å; H642-H644 PolarHBondContact O-N 2.78Å; H644-D726 HydrophobicContact CB-CB 4.34Å; H644-D726 WeakPolarHBondContact CB-O 3.36Å; H644-D726 IonicContact CD2-OD1 3.66Å; H644-D726 VanDerWaalsContact CG-O 3.27Å; H644-D726 PolarHBondContact ND1-O 3.42Å; H644-D726 IonicContact NE2-OD1 3.19Å; H644-D729 IonicContact CE1-OD2 3.96Å; H644-D729 PolarHBondContact CE1-OD2 3.48Å; H644-D729 VanDerWaalsContact CE1-OD2 3.25Å; H644-D729 IonicContact CG-OD2 2.85Å; H644-D729 IonicContact ND1-OD2 2.68Å; H644-D729 PolarHBondContact ND1-OD2 3.03Å; H644-A730 HydrophobicContact CB-CB 3.97Å; H644-A730 WeakPolarHBondContact O-CB 3.49Å; H644-K758 CarbonylContact O-C 3.57Å; H644-K758 VanDerWaalsContact O-CA 3.28Å; H644-K758 WeakPolarHBondContact O-CA 3.2Å; H644-L759 PolarHBondContact O-N 3.18Å
645	I	98.2	Very high	93.1	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.036	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-119.7	137.3	172	-70.1	161.2	0	0	0	107.7	L636 L639 H642 R647 A730 Y733 F734 F762	L636-I645 HydrophobicContact CD2-CG2 4.17Å; L639-I645 HydrophobicContact CD1-CD1 4.42Å; L639-I645 HydrophobicContact CD1-CG2 4.2Å; H642-I645 HydrophobicContact CB-CB 4.14Å; H642-I645 HydrophobicContact CB-CD1 3.84Å; H642-I645 HydrophobicContact CB-CG1 4.29Å; H642-I645 PolarHBondContact O-N 2.83Å; I645-R647 PolarHBondContact O-N 3.28Å; I645-A730 HydrophobicContact CD1-CB 4.44Å; I645-A730 HydrophobicContact CG1-CB 3.89Å; I645-Y733 HydrophobicContact CD1-CD1 3.56Å; I645-Y733 HydrophobicContact CD1-CE1 4.14Å; I645-F734 HydrophobicContact CD1-CD2 3.95Å; I645-F734 HydrophobicContact CD1-CE2 3.59Å; I645-F734 HydrophobicContact CG1-CE2 4.26Å; I645-F762 HydrophobicContact CG2-CE2 4.34Å; I645-F762 HydrophobicContact CG2-CZ 3.82Å
646	I	97.1	Very high	92.4	Very high	5 Å²	5	51 Å²	51	3%	0.026	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-59	126.7	-178.5	-166	62.3	0	0	0	110.1	L636 F648 L662 E663 V750 K758 L759 C760 F762	L636-I646 HydrophobicContact CD2-CG2 4.3Å; L636-I646 WeakPolarHBondContact CD2-O 2.99Å; I646-F648 PolarHBondContact O-N 2.96Å; I646-L662 HydrophobicContact CG1-CB 4.38Å; I646-E663 HydrophobicContact CD1-CB 3.85Å; I646-E663 HydrophobicContact CD1-CG 4.05Å; I646-E663 HydrophobicContact CG1-CB 4.46Å; I646-V750 HydrophobicContact CD1-CG2 3.8Å; I646-V750 HydrophobicContact CG1-CG2 4.41Å; I646-K758 HydrophobicContact CD1-CD 4.45Å; I646-L759 PolarHBondContact N-O 3.39Å; I646-C760 HydrophobicContact CB-CB 4.03Å; I646-C760 HydrophobicContact CG2-CB 3.59Å; I646-F762 HydrophobicContact CG2-CE2 4Å
647	R	95.3	Very high	92	Very high	140 Å²	140	52.1 Å²	52.1	53%	0.528	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-71.5	133.2	-176	-178.5	-175.1	179.5	116.8	2.1	110.7	I645 L662 E663	I645-R647 PolarHBondContact O-N 3.28Å; R647-L662 CarbonylContact O-C 3.57Å; R647-L662 WeakPolarHBondContact O-CA 3.24Å; R647-E663 HydrophobicContact CB-CB 3.86Å; R647-E663 WeakPolarHBondContact CB-OE2 3.41Å; R647-E663 PolarHBondContact N-OE2 3.26Å; R647-E663 PolarHBondContact O-N 2.84Å
648	F	94.6	Very high	92	Very high	30 Å²	30	50.4 Å²	50.4	13%	0.132	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.1	172.4	176.8	-111.8	0	0	0	110.8	Y564 A633 L636 I646 G650 L651 I660 L662	Y564-F648 HydrophobicContact CE2-CE1 4.32Å; Y564-F648 WeakPolarHBondContact OH-CE1 3.17Å; Y564-F648 WeakPolarHBondContact OH-CZ 3.25Å; A633-F648 HydrophobicContact CB-CE2 4.4Å; L636-F648 HydrophobicContact CB-CB 3.73Å; L636-F648 HydrophobicContact CB-CD1 4.39Å; L636-F648 HydrophobicContact CB-CD2 4.11Å; L636-F648 HydrophobicContact CB-CG 3.84Å; L636-F648 HydrophobicContact CD1-CB 4.28Å; L636-F648 HydrophobicContact CD1-CD2 4.28Å; L636-F648 HydrophobicContact CD2-CB 4.3Å; L636-F648 HydrophobicContact CG-CB 4.34Å; I646-F648 PolarHBondContact O-N 2.96Å; F648-G650 WeakPolarHBondContact CE2-O 3.09Å; F648-G650 VanDerWaalsContact CZ-CA 3.47Å; F648-L651 HydrophobicContact CZ-CB 4.06Å; F648-I660 HydrophobicContact CD2-CG2 3.82Å; F648-I660 HydrophobicContact CE2-CG2 3.73Å; F648-L662 HydrophobicContact CB-CD2 4.45Å; F648-L662 HydrophobicContact CD2-CD2 4.08Å
649	H	92.5	Very high	92.1	Very high	42 Å²	42	46.2 Å²	46.2	19%	0.194	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-39.3	175.1	-71.8	-83.9	0	0	0	111.6	I573 L597 L661 L662	I573-H649 HydrophobicContact CD1-CB 4.33Å; L597-H649 HydrophobicContact CD2-CB 4.17Å; H649-L661 HydrophobicContact CB-CB 3.96Å; H649-L661 WeakPolarHBondContact CB-O 3.3Å; H649-L661 PolarHBondContact N-O 2.78Å; H649-L662 VanDerWaalsContact CD2-C 3.47Å
650	G	92	Very high	92.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	174.6	-180	0	0	0	0	0	114	T571 F648 L661	T571-G650 WeakPolarHBondContact O-CA 3.47Å; F648-G650 WeakPolarHBondContact CE2-O 3.09Å; F648-G650 VanDerWaalsContact CZ-CA 3.47Å; G650-L661 PolarHBondContact N-O 2.95Å; G650-L661 PolarHBondContact O-N 3Å
651	L	93	Very high	92.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.2	176.4	173.1	70.4	0	0	0	109	W560 L561 Y564 T571 Y572 I573 L630 A633 F648 I653 I660	W560-L651 HydrophobicContact CH2-CD2 4.04Å; L561-L651 HydrophobicContact CD1-CD2 4.04Å; Y564-L651 HydrophobicContact CD1-CD2 4.27Å; Y564-L651 HydrophobicContact CE1-CB 3.72Å; Y564-L651 HydrophobicContact CE1-CD2 4.1Å; Y564-L651 HydrophobicContact CE1-CG 4.41Å; Y564-L651 PolarHBondContact OH-N 2.82Å; Y564-L651 VanDerWaalsContact OH-N 3.11Å; T571-L651 PolarHBondContact O-N 2.82Å; Y572-L651 WeakPolarHBondContact CD2-O 3.33Å; I573-L651 PolarHBondContact N-O 3.12Å; I573-L651 VanDerWaalsContact N-O 3.17Å; L630-L651 HydrophobicContact CD2-CD2 4.38Å; A633-L651 HydrophobicContact CB-CD1 4.29Å; A633-L651 HydrophobicContact CB-CD2 4.42Å; F648-L651 HydrophobicContact CZ-CB 4.06Å; L651-I653 HydrophobicContact CD1-CG1 4.4Å; L651-I653 HydrophobicContact CD2-CD1 4.22Å; L651-I653 HydrophobicContact CD2-CG1 4.4Å; L651-I653 HydrophobicContact CG-CG1 4.23Å; L651-I660 HydrophobicContact CD1-CG1 4.27Å
652	C	91.2	Very high	92.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.2	167.7	-177.1	0	0	0	0	109.1	I573 K575 F578 P658 Y659 L661	I573-C652 WeakPolarHBondContact O-CA 3.44Å; I573-C652 WeakPolarHBondContact O-CB 3.38Å; I573-C652 PolarHBondContact O-SG 3.14Å; K575-C652 PolarHBondContact N-SG 2.66Å; F578-C652 HydrophobicContact CE1-CB 3.56Å; F578-C652 HydrophobicContact CZ-CB 3.9Å; C652-P658 CarbonylContact O-C 3.55Å; C652-P658 WeakPolarHBondContact O-CA 3.36Å; C652-Y659 PolarHBondContact N-O 3.09Å; C652-Y659 PolarHBondContact O-N 3.45Å; C652-L661 HydrophobicContact CB-CD1 4.23Å
653	I	88.9	Confident	92.3	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.8	168.5	-58.6	175.8	0	0	0	106.9	I528 F532 L561 L565 L651 H657	I528-I653 HydrophobicContact CB-CG2 4.49Å; I528-I653 HydrophobicContact CD1-CB 3.96Å; I528-I653 HydrophobicContact CD1-CG2 3.87Å; I528-I653 HydrophobicContact CG1-CB 4.45Å; I528-I653 HydrophobicContact CG1-CG2 3.82Å; I528-I653 HydrophobicContact CG2-CB 4.39Å; I528-I653 HydrophobicContact CG2-CD1 3.75Å; I528-I653 HydrophobicContact CG2-CG2 3.86Å; F532-I653 HydrophobicContact CE2-CD1 4.32Å; F532-I653 HydrophobicContact CE2-CG2 3.99Å; F532-I653 HydrophobicContact CZ-CD1 4.14Å; F532-I653 HydrophobicContact CZ-CG2 4.32Å; L561-I653 HydrophobicContact CD1-CD1 3.78Å; L561-I653 HydrophobicContact CD2-CD1 4.38Å; L565-I653 HydrophobicContact CD2-CD1 4.48Å; L651-I653 HydrophobicContact CD1-CG1 4.4Å; L651-I653 HydrophobicContact CD2-CD1 4.22Å; L651-I653 HydrophobicContact CD2-CG1 4.4Å; L651-I653 HydrophobicContact CG-CG1 4.23Å; I653-H657 WeakPolarHBondContact CA-O 3.4Å
654	D	86	Confident	92.2	Very high	57 Å²	57	31.3 Å²	31.3	31%	0.305	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.9	179.9	-175.8	45.2	0	0	0	109	K575 N656 H657 Y659	K575-D654 HydrophobicContact CB-CB 4.05Å; K575-D654 HydrophobicContact CD-CB 4.1Å; K575-D654 HydrophobicContact CG-CB 4.19Å; D654-N656 VanDerWaalsContact C-N 3.26Å; D654-N656 PolarHBondContact O-N 3.32Å; D654-H657 PolarHBondContact N-O 3.14Å; D654-H657 WeakPolarHBondContact O-CA 3.36Å; D654-H657 VanDerWaalsContact O-CB 3.24Å; D654-H657 WeakPolarHBondContact O-CB 3.45Å; D654-H657 PolarHBondContact O-N 2.76Å; D654-Y659 HydrophobicContact CB-CE2 4.14Å
655	N	81.7	Confident	92.1	Very high	147 Å²	147	30.5 Å²	30.5	79%	0.786	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	42.7	-175.5	-63	-40.5	0	0	0	114.6	H657	N655-H657 PolarHBondContact O-N 3.04Å
656	N	77.8	Confident	91.7	Very high	48 Å²	48	34.5 Å²	34.5	26%	0.257	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	17.8	-174.8	-58.7	-42.4	0	0	0	115.1	S531 R535 D654	S531-N656 VanDerWaalsContact CB-CG 3.47Å; S531-N656 WeakPolarHBondContact CB-ND2 3.42Å; S531-N656 WeakPolarHBondContact CB-OD1 3.14Å; S531-N656 VanDerWaalsContact OG-CG 3.27Å; S531-N656 PolarHBondContact OG-ND2 3.45Å; R535-N656 PolarHBondContact NH1-O 3.13Å; D654-N656 VanDerWaalsContact C-N 3.26Å; D654-N656 PolarHBondContact O-N 3.32Å
657	H	87	Confident	91.5	Very high	32 Å²	32	37.6 Å²	37.6	15%	0.148	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.5	174.6	-157.9	101.3	0	0	0	109.9	T616 L617 I653 D654 N655 Y659	T616-H657 PolarHBondContact OG1-CD2 2.74Å; T616-H657 PolarHBondContact OG1-NE2 3.47Å; L617-H657 PolarHBondContact O-CE1 3.37Å; L617-H657 PolarHBondContact O-NE2 3.38Å; I653-H657 WeakPolarHBondContact CA-O 3.4Å; D654-H657 PolarHBondContact N-O 3.14Å; D654-H657 WeakPolarHBondContact O-CA 3.36Å; D654-H657 VanDerWaalsContact O-CB 3.24Å; D654-H657 WeakPolarHBondContact O-CB 3.45Å; D654-H657 PolarHBondContact O-N 2.76Å; N655-H657 PolarHBondContact O-N 3.04Å; H657-Y659 HydrophobicContact CB-CE2 4.16Å; H657-Y659 AromaticContact CD2-CE2 3.85Å; H657-Y659 AromaticContact CD2-CZ 3.62Å; H657-Y659 WeakPolarHBondContact O-CD2 3.39Å; H657-Y659 WeakPolarHBondContact O-CE2 3.45Å
658	P	91.2	Very high	91.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.5	-178.1	33.5	-37	0	0	0	113.2	T616 L617 L626 L629 C652	T616-P658 PolarHBondContact OG1-O 2.73Å; L617-P658 HydrophobicContact CD1-CG 3.89Å; L617-P658 HydrophobicContact CG-CG 4.31Å; L626-P658 HydrophobicContact CD1-CG 3.77Å; L629-P658 HydrophobicContact CD2-CB 4.02Å; L629-P658 HydrophobicContact CD2-CG 3.62Å; C652-P658 CarbonylContact O-C 3.55Å; C652-P658 WeakPolarHBondContact O-CA 3.36Å
659	Y	94.5	Very high	91.4	Very high	33 Å²	33	32.9 Å²	32.9	13%	0.129	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.3	172.7	-55.3	-94.7	0	0	0	109.4	K575 F578 L580 I614 K615 T616 C652 D654 H657	K575-Y659 HydrophobicContact CD-CE2 4.36Å; F578-Y659 HydrophobicContact CZ-CD2 4.43Å; F578-Y659 HydrophobicContact CZ-CG 4.1Å; L580-Y659 HydrophobicContact CD1-CE1 4.05Å; I614-Y659 HydrophobicContact CG2-CD1 3.97Å; I614-Y659 HydrophobicContact CG2-CG 4.47Å; K615-Y659 WeakPolarHBondContact O-CA 3.48Å; T616-Y659 HydrophobicContact CG2-CD1 4.27Å; T616-Y659 HydrophobicContact CG2-CE1 4.23Å; T616-Y659 WeakPolarHBondContact OG1-CD1 3.35Å; T616-Y659 WeakPolarHBondContact OG1-CE1 3.43Å; C652-Y659 PolarHBondContact N-O 3.09Å; C652-Y659 PolarHBondContact O-N 3.45Å; D654-Y659 HydrophobicContact CB-CE2 4.14Å; H657-Y659 HydrophobicContact CB-CE2 4.16Å; H657-Y659 AromaticContact CD2-CE2 3.85Å; H657-Y659 AromaticContact CD2-CZ 3.62Å; H657-Y659 WeakPolarHBondContact O-CD2 3.39Å; H657-Y659 WeakPolarHBondContact O-CE2 3.45Å
660	I	95.2	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.2	172.5	-57.2	-175.4	0	0	0	108	I614 K615 L629 E632 A633 F648 L651 L662	I614-I660 CarbonylContact C-O 3.58Å; I614-I660 WeakPolarHBondContact CA-O 3.37Å; K615-I660 HydrophobicContact CB-CB 4.36Å; K615-I660 PolarHBondContact N-O 2.89Å; K615-I660 PolarHBondContact O-N 2.77Å; L629-I660 HydrophobicContact CD1-CD1 3.32Å; L629-I660 HydrophobicContact CD1-CG1 3.87Å; L629-I660 HydrophobicContact CG-CD1 3.68Å; L629-I660 HydrophobicContact CG-CG1 4.03Å; L629-I660 VanDerWaalsContact O-CD1 3.29Å; L629-I660 WeakPolarHBondContact O-CD1 3.46Å; E632-I660 HydrophobicContact CB-CD1 4.18Å; E632-I660 HydrophobicContact CG-CD1 4.17Å; A633-I660 HydrophobicContact CB-CD1 3.87Å; A633-I660 HydrophobicContact CB-CG1 4.13Å; F648-I660 HydrophobicContact CD2-CG2 3.82Å; F648-I660 HydrophobicContact CE2-CG2 3.73Å; L651-I660 HydrophobicContact CD1-CG1 4.27Å; I660-L662 HydrophobicContact CG2-CD1 4.19Å; I660-L662 HydrophobicContact CG2-CD2 3.51Å; I660-L662 HydrophobicContact CG2-CG 3.67Å
661	L	95.6	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.5	176.2	-72.5	70.3	0	0	0	108.7	I573 F578 L597 I612 I614 H649 G650 C652	I573-L661 HydrophobicContact CB-CD2 4.31Å; I573-L661 HydrophobicContact CD1-CB 4.38Å; I573-L661 HydrophobicContact CD1-CD2 3.62Å; I573-L661 HydrophobicContact CD1-CG 4.49Å; I573-L661 HydrophobicContact CG2-CD2 3.93Å; F578-L661 HydrophobicContact CB-CD2 4.05Å; F578-L661 HydrophobicContact CD1-CD1 4.3Å; F578-L661 HydrophobicContact CD1-CD2 3.73Å; F578-L661 HydrophobicContact CD2-CD2 4.47Å; F578-L661 HydrophobicContact CE1-CD1 4.01Å; F578-L661 HydrophobicContact CE1-CD2 4.27Å; F578-L661 HydrophobicContact CE2-CD1 4.48Å; F578-L661 HydrophobicContact CG-CD2 3.83Å; F578-L661 HydrophobicContact CZ-CD1 4.09Å; L597-L661 HydrophobicContact CD1-CD2 3.96Å; I612-L661 HydrophobicContact CD1-CB 3.96Å; I612-L661 HydrophobicContact CD1-CD2 3.52Å; I612-L661 HydrophobicContact CD1-CG 3.66Å; I614-L661 HydrophobicContact CG1-CG 4.36Å; H649-L661 HydrophobicContact CB-CB 3.96Å; H649-L661 WeakPolarHBondContact CB-O 3.3Å; H649-L661 PolarHBondContact N-O 2.78Å; G650-L661 PolarHBondContact N-O 2.95Å; G650-L661 PolarHBondContact O-N 3Å; C652-L661 HydrophobicContact CB-CD1 4.23Å
662	L	95.7	Very high	91.6	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.9	-173.5	-60.7	175.9	0	0	0	110.5	I612 A613 K615 L636 I646 R647 F648 H649 I660	I612-L662 WeakPolarHBondContact CB-O 3.23Å; A613-L662 HydrophobicContact CB-CB 4.39Å; A613-L662 PolarHBondContact N-O 3.32Å; A613-L662 PolarHBondContact O-N 2.87Å; K615-L662 HydrophobicContact CB-CD1 4.39Å; L636-L662 HydrophobicContact CD1-CD2 3.62Å; I646-L662 HydrophobicContact CG1-CB 4.38Å; R647-L662 CarbonylContact O-C 3.57Å; R647-L662 WeakPolarHBondContact O-CA 3.24Å; F648-L662 HydrophobicContact CB-CD2 4.45Å; F648-L662 HydrophobicContact CD2-CD2 4.08Å; H649-L662 VanDerWaalsContact CD2-C 3.47Å; I660-L662 HydrophobicContact CG2-CD1 4.19Å; I660-L662 HydrophobicContact CG2-CD2 3.51Å; I660-L662 HydrophobicContact CG2-CG 3.67Å
663	E	95.1	Very high	91.6	Very high	41 Å²	41	38 Å²	38	19%	0.192	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	140.3	168.4	164	-177.8	-162.1	0	0	111	I646 R647 A665 K758	I646-E663 HydrophobicContact CD1-CB 3.85Å; I646-E663 HydrophobicContact CD1-CG 4.05Å; I646-E663 HydrophobicContact CG1-CB 4.46Å; R647-E663 HydrophobicContact CB-CB 3.86Å; R647-E663 WeakPolarHBondContact CB-OE2 3.41Å; R647-E663 PolarHBondContact N-OE2 3.26Å; R647-E663 PolarHBondContact O-N 2.84Å; E663-A665 PolarHBondContact O-N 2.86Å; E663-K758 IonicContact OE1-NZ 2.69Å; E663-K758 PolarHBondContact OE1-NZ 2.88Å; E663-K758 IonicContact OE2-NZ 2.77Å; E663-K758 PolarHBondContact OE2-NZ 2.76Å
664	L	95.5	Very high	91.8	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.12	20%	0.199	C	C	.	.			trans	-79.4	111.4	178.3	-178.6	62.5	0	0	0	110.9	L584 K594 E611 A613 I666	L584-L664 HydrophobicContact CD1-CD1 3.54Å; K594-L664 HydrophobicContact CD-CD2 4.15Å; K594-L664 HydrophobicContact CG-CD2 4.3Å; E611-L664 HydrophobicContact CB-CD2 3.84Å; A613-L664 HydrophobicContact CB-CD1 4.21Å; L664-I666 HydrophobicContact CD2-CG2 4.22Å; L664-I666 HydrophobicContact CG-CG2 4.17Å; L664-I666 PolarHBondContact O-N 2.73Å
665	A	95.1	Very high	91.9	Very high	16 Å²	16	39.8 Å²	39.8	13%	0.132	20%	0.202	C	C	.	.			trans	-87.2	94.7	169.2	0	0	0	0	0	110.9	E663 H667 G668 V750 V751 T752	E663-A665 PolarHBondContact O-N 2.86Å; A665-H667 PolarHBondContact O-N 2.88Å; A665-H667 VanDerWaalsContact O-N 3.1Å; A665-G668 PolarHBondContact O-N 2.87Å; A665-V750 HydrophobicContact CB-CB 3.52Å; A665-V750 HydrophobicContact CB-CG1 4.32Å; A665-V750 HydrophobicContact CB-CG2 3.67Å; A665-V751 CarbonylContact C-O 3.57Å; A665-T752 HydrophobicContact CB-CG2 4.05Å
666	I	91.6	Very high	92.1	Very high	91 Å²	91	37.2 Å²	37.2	47%	0.467	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.5	-171.5	62.2	167.1	0	0	0	114.8	L664 E753	L664-I666 HydrophobicContact CD2-CG2 4.22Å; L664-I666 HydrophobicContact CG-CG2 4.17Å; L664-I666 PolarHBondContact O-N 2.73Å; I666-E753 HydrophobicContact CD1-CB 3.83Å; I666-E753 HydrophobicContact CD1-CG 4.14Å; I666-E753 HydrophobicContact CG1-CB 4.33Å
667	H	91.8	Very high	92.3	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.319	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.8	179.6	-62.7	-57.3	0	0	0	113.3	A665 F673 V751 T752 F755	A665-H667 PolarHBondContact O-N 2.88Å; A665-H667 VanDerWaalsContact O-N 3.1Å; H667-F673 HydrophobicContact CB-CD2 3.82Å; H667-F673 HydrophobicContact CB-CE2 3.97Å; H667-V751 HydrophobicContact CB-CB 3.87Å; H667-V751 HydrophobicContact CB-CG1 4.06Å; H667-V751 WeakPolarHBondContact CB-O 3.49Å; H667-V751 PolarHBondContact N-O 2.96Å; H667-V751 VanDerWaalsContact N-O 3.12Å; H667-T752 PolarHBondContact CD2-O 3.24Å; H667-F755 AromaticContact NE2-CE1 3.81Å
668	G	93.4	Very high	91.8	Very high	33 Å²	33	41.1 Å²	41.1	34%	0.34	21%	0.205	S	C	.	.			trans	68.9	-155.8	178.6	0	0	0	0	0	113.1	A665 V750 V751	A665-G668 PolarHBondContact O-N 2.87Å; G668-V750 VanDerWaalsContact O-CA 3.3Å; G668-V750 WeakPolarHBondContact O-CA 3.29Å; G668-V751 PolarHBondContact O-N 3.34Å
669	N	94.7	Very high	90.8	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.203	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-77.3	146.6	179.3	72.5	82.4	0	0	0	111.8	R671 D672 F673 R747 V749	N669-R671 VanDerWaalsContact C-N 3.31Å; N669-R671 PolarHBondContact O-N 3.45Å; N669-R671 WeakPolarHBondContact OD1-CB 3.5Å; N669-R671 PolarHBondContact OD1-N 3.21Å; N669-D672 PolarHBondContact ND2-OD2 3.49Å; N669-D672 PolarHBondContact O-N 3.37Å; N669-D672 VanDerWaalsContact OD1-CG 3.26Å; N669-D672 PolarHBondContact OD1-N 3.25Å; N669-D672 PolarHBondContact OD1-OD2 3.21Å; N669-F673 WeakPolarHBondContact O-CB 3.39Å; N669-F673 PolarHBondContact O-N 3.09Å; N669-R747 WeakPolarHBondContact CB-O 3.39Å; N669-V749 CarbonylContact C-O 3.51Å; N669-V749 VanDerWaalsContact CA-O 3.29Å; N669-V749 WeakPolarHBondContact CA-O 3.22Å
670	L	95.5	Very high	89.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-34.7	-173.9	176	65.8	0	0	0	112	F673 L674 F723 A746 V749 V751 L811 L815	L670-F673 HydrophobicContact CD1-CD1 4.12Å; L670-F673 PolarHBondContact O-N 3.02Å; L670-L674 HydrophobicContact CD1-CD1 4.18Å; L670-L674 HydrophobicContact CD1-CD2 4.31Å; L670-L674 HydrophobicContact CD1-CG 3.95Å; L670-L674 HydrophobicContact CG-CD1 3.95Å; L670-L674 HydrophobicContact CG-CG 4.21Å; L670-L674 WeakPolarHBondContact O-CB 3.47Å; L670-L674 WeakPolarHBondContact O-CG 3.4Å; L670-L674 PolarHBondContact O-N 2.82Å; L670-F723 HydrophobicContact CD1-CD2 3.8Å; L670-F723 HydrophobicContact CD1-CE2 4.01Å; L670-F723 HydrophobicContact CD1-CG 4.18Å; L670-A746 WeakPolarHBondContact CB-O 3.33Å; L670-A746 PolarHBondContact N-O 3.28Å; L670-V749 HydrophobicContact CB-CB 3.91Å; L670-V749 HydrophobicContact CB-CG1 3.87Å; L670-V749 WeakPolarHBondContact CB-O 3.47Å; L670-V749 HydrophobicContact CD2-CB 3.92Å; L670-V749 HydrophobicContact CD2-CG1 3.62Å; L670-V749 HydrophobicContact CG-CG1 4.37Å; L670-V749 PolarHBondContact N-O 3.03Å; L670-V751 HydrophobicContact CB-CG2 4.12Å; L670-V751 HydrophobicContact CD1-CG2 3.79Å; L670-L811 HydrophobicContact CD2-CD1 4.37Å; L670-L815 HydrophobicContact CD1-CD2 4.36Å; L670-L815 HydrophobicContact CD2-CD2 3.81Å; L670-L815 HydrophobicContact CD2-CG 4.48Å; L670-L815 HydrophobicContact CG-CD2 4.42Å
671	R	94.3	Very high	87.7	Confident	67 Å²	67	47.4 Å²	47.4	25%	0.253	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-50.9	176.4	-178.3	-171.5	67.7	-161.4	-6	111.6	N669 L674 R675 A746 R747	N669-R671 VanDerWaalsContact C-N 3.31Å; N669-R671 PolarHBondContact O-N 3.45Å; N669-R671 WeakPolarHBondContact OD1-CB 3.5Å; N669-R671 PolarHBondContact OD1-N 3.21Å; R671-L674 PolarHBondContact O-N 2.78Å; R671-R675 WeakPolarHBondContact O-CG 3.47Å; R671-R675 PolarHBondContact O-N 2.73Å; R671-A746 HydrophobicContact CB-CB 3.94Å; R671-A746 PolarHBondContact N-O 3.21Å; R671-R747 HydrophobicContact CB-CB 4.44Å
672	D	91.3	Very high	86.1	Confident	70 Å²	70	48.1 Å²	48.1	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-72.5	-35.6	-177	-60.6	-15.4	0	0	0	110.4	N669 L674 R675 S676	N669-D672 PolarHBondContact ND2-OD2 3.49Å; N669-D672 PolarHBondContact O-N 3.37Å; N669-D672 VanDerWaalsContact OD1-CG 3.26Å; N669-D672 PolarHBondContact OD1-N 3.25Å; N669-D672 PolarHBondContact OD1-OD2 3.21Å; D672-L674 PolarHBondContact O-N 2.71Å; D672-R675 PolarHBondContact O-N 3.22Å; D672-S676 WeakPolarHBondContact O-CB 3.49Å; D672-S676 PolarHBondContact O-N 3.41Å
673	F	92.4	Very high	84.7	Confident	14 Å²	14	50.6 Å²	50.6	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-48.8	169.6	178.5	-95.4	0	0	0	112.5	H667 N669 L670 S676 F723 V751 F755	H667-F673 HydrophobicContact CB-CD2 3.82Å; H667-F673 HydrophobicContact CB-CE2 3.97Å; N669-F673 WeakPolarHBondContact O-CB 3.39Å; N669-F673 PolarHBondContact O-N 3.09Å; L670-F673 HydrophobicContact CD1-CD1 4.12Å; L670-F673 PolarHBondContact O-N 3.02Å; F673-S676 PolarHBondContact O-N 3.31Å; F673-S676 PolarHBondContact O-OG 3.19Å; F673-F723 HydrophobicContact CD1-CE2 4.47Å; F673-F723 AromaticContact CE1-CE2 3.81Å; F673-F723 HydrophobicContact CE1-CE2 3.81Å; F673-F723 AromaticContact CE1-CZ 3.69Å; F673-F723 HydrophobicContact CE1-CZ 3.69Å; F673-F723 HydrophobicContact CZ-CZ 4.19Å; F673-V751 HydrophobicContact CD1-CG2 4.46Å; F673-V751 HydrophobicContact CG-CG2 4.5Å; F673-V751 HydrophobicContact CZ-CG1 4.47Å; F673-F755 HydrophobicContact CE2-CD1 4.14Å; F673-F755 AromaticContact CE2-CE1 3.94Å; F673-F755 HydrophobicContact CE2-CE1 3.94Å; F673-F755 AromaticContact CZ-CD1 3.67Å; F673-F755 HydrophobicContact CZ-CD1 3.67Å; F673-F755 AromaticContact CZ-CE1 3.75Å; F673-F755 HydrophobicContact CZ-CE1 3.75Å
674	L	91.8	Very high	83.5	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-42.6	177.3	-69.6	167.8	0	0	0	112	L670 R671 D672 S676 R677 L720 L815 L818	L670-L674 HydrophobicContact CD1-CD1 4.18Å; L670-L674 HydrophobicContact CD1-CD2 4.31Å; L670-L674 HydrophobicContact CD1-CG 3.95Å; L670-L674 HydrophobicContact CG-CD1 3.95Å; L670-L674 HydrophobicContact CG-CG 4.21Å; L670-L674 WeakPolarHBondContact O-CB 3.47Å; L670-L674 WeakPolarHBondContact O-CG 3.4Å; L670-L674 PolarHBondContact O-N 2.82Å; R671-L674 PolarHBondContact O-N 2.78Å; D672-L674 PolarHBondContact O-N 2.71Å; L674-S676 VanDerWaalsContact C-N 3.32Å; L674-S676 PolarHBondContact O-N 3.1Å; L674-R677 PolarHBondContact O-N 3.38Å; L674-R677 VanDerWaalsContact O-N 3.17Å; L674-L720 HydrophobicContact CD2-CD2 3.47Å; L674-L720 VanDerWaalsContact CD2-CD2 3.47Å; L674-L815 HydrophobicContact CD1-CD2 4.19Å; L674-L815 HydrophobicContact CD2-CD2 4.48Å; L674-L818 HydrophobicContact CD2-CD2 4.25Å
675	R	88.7	Confident	82.1	Confident	96 Å²	96	51 Å²	51	36%	0.362	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-37.3	178.9	-75.7	175	176.4	-168.4	-4.8	112.4	R671 D672 R677 R678 G819	R671-R675 WeakPolarHBondContact O-CG 3.47Å; R671-R675 PolarHBondContact O-N 2.73Å; D672-R675 PolarHBondContact O-N 3.22Å; R675-R677 PolarHBondContact O-N 3.38Å; R675-R678 WeakPolarHBondContact O-CB 3.2Å; R675-R678 PolarHBondContact O-N 3.06Å; R675-G819 PolarHBondContact NE-O 3.34Å; R675-G819 PolarHBondContact NH2-O 2.82Å
676	S	85.2	Confident	80.6	Confident	93 Å²	93	50.3 Å²	50.3	65%	0.65	27%	0.267	S	S	*	.	H	α-helix	trans	-63.6	-21.7	177	77.1	0	0	0	0	113.5	D672 F673 L674	D672-S676 WeakPolarHBondContact O-CB 3.49Å; D672-S676 PolarHBondContact O-N 3.41Å; F673-S676 PolarHBondContact O-N 3.31Å; F673-S676 PolarHBondContact O-OG 3.19Å; L674-S676 VanDerWaalsContact C-N 3.32Å; L674-S676 PolarHBondContact O-N 3.1Å
677	R	82.5	Confident	79	Confident	95 Å²	95	48.2 Å²	48.2	36%	0.358	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.9	-180	-67	177.9	172.2	-163.1	-7	113.5	L674 R675 P679 E719	L674-R677 PolarHBondContact O-N 3.38Å; L674-R677 VanDerWaalsContact O-N 3.17Å; R675-R677 PolarHBondContact O-N 3.38Å; R677-P679 WeakPolarHBondContact O-CD 3.42Å; R677-E719 IonicContact NH1-OE2 3.82Å; R677-E719 PolarHBondContact NH1-OE2 3.4Å; R677-E719 VanDerWaalsContact NH1-OE2 3.17Å
678	R	77.5	Confident	77.1	Confident	68 Å²	68	47.5 Å²	47.5	26%	0.257	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-73.2	131.3	176.7	-74.4	179.1	-177.9	-165.7	-7	111.1	R675 S817 L818 G819 N820	R675-R678 WeakPolarHBondContact O-CB 3.2Å; R675-R678 PolarHBondContact O-N 3.06Å; R678-S817 PolarHBondContact NH2-O 3.4Å; R678-L818 HydrophobicContact CG-CB 3.92Å; R678-L818 HydrophobicContact CG-CD1 4.28Å; R678-L818 PolarHBondContact NE-O 2.96Å; R678-L818 PolarHBondContact NH2-O 3.33Å; R678-G819 PolarHBondContact NH2-O 2.85Å; R678-N820 PolarHBondContact NH1-OD1 3.45Å; R678-N820 PolarHBondContact NH2-OD1 3.34Å
679	P	70	Confident	75	Confident	14 Å²	14	56 Å²	56	9%	0.091	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-57.2	132.6	159.7	-25.9	35.9	0	0	0	110.5	R677 I682 F684 I707	R677-P679 WeakPolarHBondContact O-CD 3.42Å; P679-I682 HydrophobicContact CB-CD1 3.72Å; P679-I682 HydrophobicContact CB-CG1 4.27Å; P679-I682 HydrophobicContact CG-CD1 4.35Å; P679-F684 HydrophobicContact CB-CZ 4.36Å; P679-F684 HydrophobicContact CG-CE2 4.22Å; P679-F684 HydrophobicContact CG-CZ 3.78Å; P679-I707 HydrophobicContact CB-CD1 4.29Å; P679-I707 HydrophobicContact CB-CG2 4.1Å; P679-I707 HydrophobicContact CG-CD1 4.31Å; P679-I707 HydrophobicContact CG-CG2 3.34Å
680	P	64.7	Low	72.8	Confident	106 Å²	106	57.1 Å²	57.1	69%	0.688	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	139.3	176.9	23.3	-31	0	0	0	111	I682	P680-I682 VanDerWaalsContact C-N 3.34Å; P680-I682 PolarHBondContact O-N 3.04Å
681	G	59.2	Low	70.4	Confident	44 Å²	44	58.3 Å²	58.3	45%	0.454	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.6	173.4	0	0	0	0	0	116.8
682	I	62.2	Low	67.9	Low	15 Å²	15	59.5 Å²	59.5	8%	0.077	30%	0.302	C	S	.	.			trans	-101.4	127.6	-179	-53	177.7	0	0	0	111.5	P679 P680 F684 V696 L704 L708	P679-I682 HydrophobicContact CB-CD1 3.72Å; P679-I682 HydrophobicContact CB-CG1 4.27Å; P679-I682 HydrophobicContact CG-CD1 4.35Å; P680-I682 VanDerWaalsContact C-N 3.34Å; P680-I682 PolarHBondContact O-N 3.04Å; I682-F684 HydrophobicContact CB-CD2 4.34Å; I682-F684 HydrophobicContact CB-CE2 3.61Å; I682-F684 HydrophobicContact CB-CZ 3.82Å; I682-F684 HydrophobicContact CD1-CZ 4.21Å; I682-F684 HydrophobicContact CG2-CD1 4.41Å; I682-F684 HydrophobicContact CG2-CD2 4.11Å; I682-F684 HydrophobicContact CG2-CE1 3.99Å; I682-F684 HydrophobicContact CG2-CE2 3.64Å; I682-F684 HydrophobicContact CG2-CG 4.45Å; I682-F684 HydrophobicContact CG2-CZ 3.57Å; I682-F684 WeakPolarHBondContact O-CD2 3.37Å; I682-V696 HydrophobicContact CG1-CG1 3.75Å; I682-L704 HydrophobicContact CD1-CD2 3.49Å; I682-L704 VanDerWaalsContact CD1-CD2 3.49Å; I682-L704 HydrophobicContact CG1-CD2 4.31Å; I682-L708 HydrophobicContact CD1-CD1 4.36Å; I682-L708 HydrophobicContact CD1-CD2 4.38Å
683	N	66	Low	65.5	Low	66 Å²	66	60.8 Å²	60.8	35%	0.353	32%	0.316	S	S	.	.			trans	-94.9	97.7	176	-80.3	-29.3	0	0	0	111.7	W685	N683-W685 VanDerWaalsContact C-N 3.25Å; N683-W685 PolarHBondContact O-N 3.23Å
684	F	70.9	Confident	63.1	Low	2 Å²	2	61.6 Å²	61.6	1%	0.009	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	3.4	-176.6	-66.5	-87.5	0	0	0	116	P679 I682 L818 Y845 L846	P679-F684 HydrophobicContact CB-CZ 4.36Å; P679-F684 HydrophobicContact CG-CE2 4.22Å; P679-F684 HydrophobicContact CG-CZ 3.78Å; I682-F684 HydrophobicContact CB-CD2 4.34Å; I682-F684 HydrophobicContact CB-CE2 3.61Å; I682-F684 HydrophobicContact CB-CZ 3.82Å; I682-F684 HydrophobicContact CD1-CZ 4.21Å; I682-F684 HydrophobicContact CG2-CD1 4.41Å; I682-F684 HydrophobicContact CG2-CD2 4.11Å; I682-F684 HydrophobicContact CG2-CE1 3.99Å; I682-F684 HydrophobicContact CG2-CE2 3.64Å; I682-F684 HydrophobicContact CG2-CG 4.45Å; I682-F684 HydrophobicContact CG2-CZ 3.57Å; I682-F684 WeakPolarHBondContact O-CD2 3.37Å; F684-L818 HydrophobicContact CD1-CD1 4.04Å; F684-L818 HydrophobicContact CD2-CD1 3.86Å; F684-L818 HydrophobicContact CE1-CD1 4.08Å; F684-L818 HydrophobicContact CE2-CD1 3.91Å; F684-L818 HydrophobicContact CG-CD1 3.94Å; F684-L818 HydrophobicContact CG-CG 4.33Å; F684-L818 HydrophobicContact CZ-CD1 4.03Å; F684-Y845 AromaticContact CD1-CD1 3.82Å; F684-Y845 HydrophobicContact CD1-CD1 3.82Å; F684-Y845 HydrophobicContact CD1-CG 4.44Å; F684-Y845 HydrophobicContact CE1-CD1 4.04Å; F684-Y845 PolarHBondContact O-N 3.47Å; F684-Y845 VanDerWaalsContact O-N 3.08Å; F684-L846 HydrophobicContact CD1-CD1 4.37Å; F684-L846 HydrophobicContact CD1-CG 4.15Å
685	W	65.1	Low	60.6	Low	69 Å²	69	70.4 Å²	70.4	26%	0.261	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.7	-175.5	57.2	-97.8	0	0	0	114.4	N683 W813 N820 P824 T842	N683-W685 VanDerWaalsContact C-N 3.25Å; N683-W685 PolarHBondContact O-N 3.23Å; W685-W813 HydrophobicContact CB-CH2 3.72Å; W685-W813 HydrophobicContact CB-CZ2 3.63Å; W685-N820 HydrophobicContact CB-CB 4.34Å; W685-P824 HydrophobicContact CD2-CB 4.47Å; W685-P824 HydrophobicContact CD2-CG 3.87Å; W685-P824 HydrophobicContact CE3-CG 3.67Å; W685-P824 HydrophobicContact CG-CG 4.31Å; W685-P824 HydrophobicContact CZ3-CG 4.13Å; W685-T842 PolarHBondContact O-OG1 2.95Å
686	A	63.9	Low	58.4	Low	2 Å²	2	67.7 Å²	67.7	2%	0.017	35%	0.352	C	S	.	.	S	Bend	trans	-112.8	163.1	-176.1	0	0	0	0	0	112.1	T690 R843	A686-T690 VanDerWaalsContact CB-CB 3.5Å; A686-T690 HydrophobicContact CB-CG2 3.7Å; A686-R843 CarbonylContact C-O 3.54Å
687	D	57.8	Low	56.4	Low	47 Å²	47	68.4 Å²	68.4	25%	0.251	35%	0.353	S	S	.	.			trans	-70.9	169.2	175	76.1	-11.3	0	0	0	111.9	R689 T690 I691 R843	D687-R689 PolarHBondContact O-N 3.01Å; D687-R689 VanDerWaalsContact O-N 3.13Å; D687-R689 PolarHBondContact OD1-N 3.17Å; D687-T690 PolarHBondContact O-N 3.38Å; D687-T690 WeakPolarHBondContact OD1-CB 3.47Å; D687-T690 PolarHBondContact OD1-N 3.43Å; D687-T690 VanDerWaalsContact OD1-N 3.07Å; D687-T690 PolarHBondContact OD1-OG1 3.42Å; D687-I691 PolarHBondContact O-N 3.19Å; D687-I691 VanDerWaalsContact O-N 3.1Å; D687-R843 PolarHBondContact N-O 3.07Å
688	E	52.7	Low	54.7	Low	55 Å²	55	66.2 Å²	66.2	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-52.6	-35.6	-179.5	-169.1	176.4	-170.4	0	0	112.6	T690 N692 S892	E688-T690 VanDerWaalsContact C-N 3.33Å; E688-T690 PolarHBondContact O-N 2.91Å; E688-N692 VanDerWaalsContact O-CG 3.24Å; E688-N692 PolarHBondContact O-ND2 3.41Å; E688-N692 PolarHBondContact O-OD1 2.84Å; E688-S892 PolarHBondContact OE1-OG 3.39Å; E688-S892 PolarHBondContact OE2-OG 3.02Å
689	R	49.5	Very low	53.4	Low	210 Å²	210	69.5 Å²	69.5	79%	0.792	38%	0.377	S	S	*	.	H	α-helix	trans	-69.7	-30.5	-179.3	-61.6	-177.4	-169.6	-176.5	4.7	112.9	D687	D687-R689 PolarHBondContact O-N 3.01Å; D687-R689 VanDerWaalsContact O-N 3.13Å; D687-R689 PolarHBondContact OD1-N 3.17Å
690	T	46.6	Very low	52.6	Low	63 Å²	63	71.9 Å²	71.9	39%	0.387	39%	0.389	S	S	.	.	H	α-helix	trans	-88.5	-32.9	-177.6	-46.4	0	0	0	0	111.8	A686 D687 E688 N692 S693	A686-T690 VanDerWaalsContact CB-CB 3.5Å; A686-T690 HydrophobicContact CB-CG2 3.7Å; D687-T690 PolarHBondContact O-N 3.38Å; D687-T690 WeakPolarHBondContact OD1-CB 3.47Å; D687-T690 PolarHBondContact OD1-N 3.43Å; D687-T690 VanDerWaalsContact OD1-N 3.07Å; D687-T690 PolarHBondContact OD1-OG1 3.42Å; E688-T690 VanDerWaalsContact C-N 3.33Å; E688-T690 PolarHBondContact O-N 2.91Å; T690-N692 PolarHBondContact O-N 2.97Å; T690-S693 PolarHBondContact O-N 3Å
691	I	46.6	Very low	52.2	Low	25 Å²	25	70.2 Å²	70.2	13%	0.128	38%	0.38	C	S	.	.	H	α-helix	trans	-56.1	-35.6	173	-67.9	175	0	0	0	110.6	D687 S693 S694 Y845	D687-I691 PolarHBondContact O-N 3.19Å; D687-I691 VanDerWaalsContact O-N 3.1Å; I691-S693 PolarHBondContact O-N 3.43Å; I691-S694 PolarHBondContact O-N 2.87Å; I691-S694 PolarHBondContact O-OG 2.67Å; I691-S694 VanDerWaalsContact O-OG 3.12Å; I691-Y845 HydrophobicContact CD1-CD2 3.39Å; I691-Y845 HydrophobicContact CD1-CE2 4.15Å; I691-Y845 HydrophobicContact CD1-CG 3.76Å
692	N	41.7	Very low	52.2	Low	91 Å²	91	72.7 Å²	72.7	49%	0.487	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-17	176.4	-64	-13	0	0	0	115.2	E688 T690	E688-N692 VanDerWaalsContact O-CG 3.24Å; E688-N692 PolarHBondContact O-ND2 3.41Å; E688-N692 PolarHBondContact O-OD1 2.84Å; T690-N692 PolarHBondContact O-N 2.97Å
693	S	41	Very low	52.2	Low	97 Å²	97	75.5 Å²	75.5	68%	0.678	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-10.5	176.3	-174.7	0	0	0	0	114	T690 I691	T690-S693 PolarHBondContact O-N 3Å; I691-S693 PolarHBondContact O-N 3.43Å
694	S	41.2	Very low	52	Low	32 Å²	32	73.9 Å²	73.9	22%	0.224	39%	0.389	C	S	.	.	S	Bend	trans	-90.8	117.6	179.3	-5.3	0	0	0	0	108.5	I691 V696	I691-S694 PolarHBondContact O-N 2.87Å; I691-S694 PolarHBondContact O-OG 2.67Å; I691-S694 VanDerWaalsContact O-OG 3.12Å; S694-V696 WeakPolarHBondContact O-CG2 3.49Å; S694-V696 PolarHBondContact O-N 2.91Å
695	Y	39	Very low	51.7	Low	188 Å²	188	77.4 Å²	77.4	74%	0.737	40%	0.404	S	S	*	.			trans	-57.6	100.7	174.7	-69.3	-91.6	0	0	0	110.5	V697	Y695-V697 PolarHBondContact O-N 2.85Å
696	V	43.6	Very low	51.8	Low	39 Å²	39	81 Å²	81	24%	0.236	43%	0.425	C	S	.	.			trans	-82.8	100.4	171.3	-166	0	0	0	0	107.3	I682 S694 V698	I682-V696 HydrophobicContact CG1-CG1 3.75Å; S694-V696 WeakPolarHBondContact O-CG2 3.49Å; S694-V696 PolarHBondContact O-N 2.91Å; V696-V698 HydrophobicContact CB-CG2 4.3Å; V696-V698 HydrophobicContact CG1-CG2 3.26Å; V696-V698 PolarHBondContact O-N 3.46Å
697	V	43	Very low	52	Low	109 Å²	109	84.1 Å²	84.1	66%	0.661	44%	0.44	S	S	*	.			trans	-76.7	100.3	167.6	-178.4	0	0	0	0	107	Y695	Y695-V697 PolarHBondContact O-N 2.85Å
698	V	47	Very low	52.6	Low	48 Å²	48	83 Å²	83	29%	0.291	43%	0.434	S	S	.	.			trans	-110.6	126.1	170.3	-173.5	0	0	0	0	108.9	V696 N700 L704	V696-V698 HydrophobicContact CB-CG2 4.3Å; V696-V698 HydrophobicContact CG1-CG2 3.26Å; V696-V698 PolarHBondContact O-N 3.46Å; V698-N700 WeakPolarHBondContact CG1-O 3.47Å; V698-N700 PolarHBondContact O-N 2.97Å; V698-L704 HydrophobicContact CB-CD1 3.56Å; V698-L704 HydrophobicContact CB-CG 3.96Å; V698-L704 HydrophobicContact CG1-CD1 3.69Å; V698-L704 HydrophobicContact CG1-CD2 4.5Å; V698-L704 HydrophobicContact CG1-CG 3.56Å; V698-L704 HydrophobicContact CG2-CD1 3.25Å; V698-L704 HydrophobicContact CG2-CD2 3.87Å; V698-L704 HydrophobicContact CG2-CG 3.59Å
699	T	49.1	Very low	53.6	Low	137 Å²	137	82.4 Å²	82.4	84%	0.84	44%	0.436	S	S	*	.	S	Bend	trans	-71.6	-14.9	-179.7	48.6	0	0	0	0	113.6
700	N	54.2	Low	54.9	Low	64 Å²	64	75.8 Å²	75.8	34%	0.342	42%	0.416	S	S	.	.			trans	-154.2	119.1	-178.3	-174.7	7.9	0	0	0	111.9	V698 N702 D703	V698-N700 WeakPolarHBondContact CG1-O 3.47Å; V698-N700 PolarHBondContact O-N 2.97Å; N700-N702 VanDerWaalsContact C-N 3.32Å; N700-N702 PolarHBondContact O-N 3.2Å; N700-N702 PolarHBondContact OD1-N 3.26Å; N700-D703 WeakPolarHBondContact CB-OD2 3.48Å; N700-D703 VanDerWaalsContact ND2-CG 3.3Å; N700-D703 PolarHBondContact ND2-OD1 2.99Å; N700-D703 PolarHBondContact ND2-OD2 2.82Å; N700-D703 PolarHBondContact O-N 2.82Å
701	S	55.3	Low	56.5	Low	71 Å²	71	78.8 Å²	78.8	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-68.4	-24.9	-175.3	56.7	0	0	0	0	114.4	K705	S701-K705 PolarHBondContact O-N 3.32Å
702	N	60.7	Low	58.1	Low	96 Å²	96	79 Å²	79	51%	0.513	44%	0.435	S	S	.	.	H	α-helix	trans	-73.2	-36.8	179.4	-71.7	-29.5	0	0	0	112.4	N700 L704 K705 E706	N700-N702 VanDerWaalsContact C-N 3.32Å; N700-N702 PolarHBondContact O-N 3.2Å; N700-N702 PolarHBondContact OD1-N 3.26Å; N702-L704 VanDerWaalsContact C-N 3.31Å; N702-L704 PolarHBondContact O-N 3.3Å; N702-K705 WeakPolarHBondContact O-CB 3.38Å; N702-K705 PolarHBondContact O-N 3.18Å; N702-E706 PolarHBondContact O-N 3.35Å
703	D	61.9	Low	60	Low	74 Å²	74	74.8 Å²	74.8	40%	0.396	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-37.4	-179.8	-59.1	-22.7	0	0	0	110.8	N700 K705 E706 I707	N700-D703 WeakPolarHBondContact CB-OD2 3.48Å; N700-D703 VanDerWaalsContact ND2-CG 3.3Å; N700-D703 PolarHBondContact ND2-OD1 2.99Å; N700-D703 PolarHBondContact ND2-OD2 2.82Å; N700-D703 PolarHBondContact O-N 2.82Å; D703-K705 PolarHBondContact O-N 3.22Å; D703-E706 PolarHBondContact O-N 3.1Å; D703-I707 WeakPolarHBondContact O-CB 3.44Å; D703-I707 WeakPolarHBondContact O-CD1 3.49Å; D703-I707 WeakPolarHBondContact O-CG1 3.41Å; D703-I707 PolarHBondContact O-N 3.36Å
704	L	61.7	Low	62.1	Low	33 Å²	33	73.1 Å²	73.1	17%	0.173	39%	0.392	C	S	.	.	H	α-helix	trans	-60.8	-43.6	173.9	-92.6	176.5	0	0	0	113.1	I682 V698 N702 E706 I707 L708	I682-L704 HydrophobicContact CD1-CD2 3.49Å; I682-L704 VanDerWaalsContact CD1-CD2 3.49Å; I682-L704 HydrophobicContact CG1-CD2 4.31Å; V698-L704 HydrophobicContact CB-CD1 3.56Å; V698-L704 HydrophobicContact CB-CG 3.96Å; V698-L704 HydrophobicContact CG1-CD1 3.69Å; V698-L704 HydrophobicContact CG1-CD2 4.5Å; V698-L704 HydrophobicContact CG1-CG 3.56Å; V698-L704 HydrophobicContact CG2-CD1 3.25Å; V698-L704 HydrophobicContact CG2-CD2 3.87Å; V698-L704 HydrophobicContact CG2-CG 3.59Å; N702-L704 VanDerWaalsContact C-N 3.31Å; N702-L704 PolarHBondContact O-N 3.3Å; L704-E706 VanDerWaalsContact C-N 3.32Å; L704-E706 PolarHBondContact O-N 3.35Å; L704-I707 PolarHBondContact O-N 3.28Å; L704-L708 HydrophobicContact CD2-CD1 3.76Å; L704-L708 HydrophobicContact CD2-CG 4.43Å; L704-L708 WeakPolarHBondContact O-CB 3.28Å; L704-L708 VanDerWaalsContact O-CG 3.32Å; L704-L708 WeakPolarHBondContact O-CG 3.22Å; L704-L708 PolarHBondContact O-N 3.08Å
705	K	63.8	Low	64.2	Low	75 Å²	75	77.4 Å²	77.4	33%	0.326	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-42.7	-179.9	-81.7	172.5	149.4	172.9	0	112.2	S701 N702 D703 S709 V897 L901	S701-K705 PolarHBondContact O-N 3.32Å; N702-K705 WeakPolarHBondContact O-CB 3.38Å; N702-K705 PolarHBondContact O-N 3.18Å; D703-K705 PolarHBondContact O-N 3.22Å; K705-S709 WeakPolarHBondContact O-CA 3.25Å; K705-S709 WeakPolarHBondContact O-CB 3.29Å; K705-S709 PolarHBondContact O-N 2.83Å; K705-V897 HydrophobicContact CD-CG1 4.44Å; K705-V897 HydrophobicContact CG-CG1 3.61Å; K705-L901 HydrophobicContact CD-CD1 4.46Å; K705-L901 HydrophobicContact CD-CD2 4.11Å; K705-L901 VanDerWaalsContact CE-CG 3.46Å
706	E	67.8	Low	66.5	Low	146 Å²	146	70.4 Å²	70.4	68%	0.682	38%	0.382	S	S	*	.	H	α-helix	trans	-67.9	-48.2	-179.7	-171.3	175.1	174.3	0	0	110.2	N702 D703 L704 L708 S709 A712	N702-E706 PolarHBondContact O-N 3.35Å; D703-E706 PolarHBondContact O-N 3.1Å; L704-E706 VanDerWaalsContact C-N 3.32Å; L704-E706 PolarHBondContact O-N 3.35Å; E706-L708 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 3.34Å; E706-S709 WeakPolarHBondContact O-CB 3.42Å; E706-S709 PolarHBondContact O-N 2.85Å; E706-S709 PolarHBondContact O-OG 3.38Å; E706-A712 WeakPolarHBondContact O-CB 3.15Å
707	I	67	Low	68.7	Low	66 Å²	66	69.5 Å²	69.5	34%	0.338	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-39.3	178.3	-70.9	169.5	0	0	0	112.3	P679 D703 L704	P679-I707 HydrophobicContact CB-CD1 4.29Å; P679-I707 HydrophobicContact CB-CG2 4.1Å; P679-I707 HydrophobicContact CG-CD1 4.31Å; P679-I707 HydrophobicContact CG-CG2 3.34Å; D703-I707 WeakPolarHBondContact O-CB 3.44Å; D703-I707 WeakPolarHBondContact O-CD1 3.49Å; D703-I707 WeakPolarHBondContact O-CG1 3.41Å; D703-I707 PolarHBondContact O-N 3.36Å; L704-I707 PolarHBondContact O-N 3.28Å
708	L	70.7	Confident	71	Confident	25 Å²	25	66 Å²	66	13%	0.131	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	12.4	-178.5	-59.5	173.2	0	0	0	112.8	I682 L704 E706 I713 Y845 M893	I682-L708 HydrophobicContact CD1-CD1 4.36Å; I682-L708 HydrophobicContact CD1-CD2 4.38Å; L704-L708 HydrophobicContact CD2-CD1 3.76Å; L704-L708 HydrophobicContact CD2-CG 4.43Å; L704-L708 WeakPolarHBondContact O-CB 3.28Å; L704-L708 VanDerWaalsContact O-CG 3.32Å; L704-L708 WeakPolarHBondContact O-CG 3.22Å; L704-L708 PolarHBondContact O-N 3.08Å; E706-L708 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 3.34Å; L708-I713 WeakPolarHBondContact O-CD1 3.13Å; L708-Y845 HydrophobicContact CD2-CE1 4.2Å; L708-M893 HydrophobicContact CB-CE 3.94Å; L708-M893 HydrophobicContact CB-SD 4.34Å; L708-M893 HydrophobicContact CD1-CE 3.76Å; L708-M893 HydrophobicContact CD2-CE 4.25Å; L708-M893 HydrophobicContact CG-CE 4.2Å
709	S	74.2	Confident	73.1	Confident	42 Å²	42	66.7 Å²	66.7	29%	0.294	35%	0.353	S	S	.	.	S	Bend	trans	-63.9	147.7	174.5	66	0	0	0	0	110.4	K705 E706 D711 A712 I713	K705-S709 WeakPolarHBondContact O-CA 3.25Å; K705-S709 WeakPolarHBondContact O-CB 3.29Å; K705-S709 PolarHBondContact O-N 2.83Å; E706-S709 WeakPolarHBondContact O-CB 3.42Å; E706-S709 PolarHBondContact O-N 2.85Å; E706-S709 PolarHBondContact O-OG 3.38Å; S709-D711 PolarHBondContact O-N 3.24Å; S709-A712 PolarHBondContact O-N 3.06Å; S709-A712 VanDerWaalsContact O-N 3.09Å; S709-A712 WeakPolarHBondContact OG-CB 3.43Å; S709-A712 PolarHBondContact OG-N 2.79Å; S709-I713 WeakPolarHBondContact O-CG1 3.28Å; S709-I713 PolarHBondContact O-N 3.45Å
710	D	76.6	Confident	75.3	Confident	70 Å²	70	60.4 Å²	60.4	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-55.7	-37.8	179.6	-71.9	-34.6	0	0	0	111.8	R714 N890	D710-R714 WeakPolarHBondContact O-CB 3.19Å; D710-R714 PolarHBondContact O-N 2.77Å; D710-N890 VanDerWaalsContact OD1-CB 3.32Å; D710-N890 WeakPolarHBondContact OD1-CB 3.39Å; D710-N890 PolarHBondContact OD1-ND2 2.76Å
711	D	80.8	Confident	77.3	Confident	126 Å²	126	57.5 Å²	57.5	67%	0.674	30%	0.299	S	S	*	.	H	α-helix	trans	-68.9	-41.8	177.6	-69.6	-33	0	0	0	112.3	S709 R714 Q715	S709-D711 PolarHBondContact O-N 3.24Å; D711-R714 WeakPolarHBondContact O-CB 3.29Å; D711-R714 PolarHBondContact O-N 2.96Å; D711-Q715 WeakPolarHBondContact O-CB 3.23Å; D711-Q715 PolarHBondContact O-N 3.46Å
712	A	79.8	Confident	79.2	Confident	30 Å²	30	58.7 Å²	58.7	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-44.2	176.6	0	0	0	0	0	112	E706 S709 R714 Q715 Q716	E706-A712 WeakPolarHBondContact O-CB 3.15Å; S709-A712 PolarHBondContact O-N 3.06Å; S709-A712 VanDerWaalsContact O-N 3.09Å; S709-A712 WeakPolarHBondContact OG-CB 3.43Å; S709-A712 PolarHBondContact OG-N 2.79Å; A712-R714 VanDerWaalsContact C-N 3.33Å; A712-R714 PolarHBondContact O-N 2.76Å; A712-Q715 PolarHBondContact O-N 3.04Å; A712-Q716 WeakPolarHBondContact O-CB 3.25Å; A712-Q716 PolarHBondContact O-N 3.28Å
713	I	82.7	Confident	81	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-45.1	174.9	-68.5	173.2	0	0	0	109.8	L708 S709 Q715 Q716 R717 Y845 L846 M893	L708-I713 WeakPolarHBondContact O-CD1 3.13Å; S709-I713 WeakPolarHBondContact O-CG1 3.28Å; S709-I713 PolarHBondContact O-N 3.45Å; I713-Q715 PolarHBondContact O-N 3.11Å; I713-Q716 PolarHBondContact O-N 3.2Å; I713-R717 HydrophobicContact CG2-CG 4.44Å; I713-R717 VanDerWaalsContact O-CG 3.32Å; I713-R717 WeakPolarHBondContact O-CG 3.39Å; I713-R717 PolarHBondContact O-N 3.01Å; I713-Y845 HydrophobicContact CD1-CE1 4.18Å; I713-Y845 WeakPolarHBondContact CD1-OH 3.34Å; I713-L846 HydrophobicContact CG2-CD2 4.28Å; I713-M893 HydrophobicContact CD1-SD 4.23Å
714	R	84.4	Confident	82.7	Confident	61 Å²	61	50.9 Å²	50.9	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-50.5	176	-175.5	-163.3	-170	95.4	-9.9	111.1	D710 D711 A712 Q716 R717 V718 Y883 L886	D710-R714 WeakPolarHBondContact O-CB 3.19Å; D710-R714 PolarHBondContact O-N 2.77Å; D711-R714 WeakPolarHBondContact O-CB 3.29Å; D711-R714 PolarHBondContact O-N 2.96Å; A712-R714 VanDerWaalsContact C-N 3.33Å; A712-R714 PolarHBondContact O-N 2.76Å; R714-Q716 VanDerWaalsContact C-N 3.35Å; R714-Q716 PolarHBondContact O-N 3.05Å; R714-R717 PolarHBondContact O-N 3.3Å; R714-V718 WeakPolarHBondContact O-CG2 3.2Å; R714-V718 PolarHBondContact O-N 2.87Å; R714-Y883 HydrophobicContact CG-CD1 3.76Å; R714-Y883 HydrophobicContact CG-CE1 4.44Å; R714-Y883 PolarHBondContact NE-O 2.99Å; R714-Y883 PolarHBondContact NH2-O 3.38Å; R714-L886 VanDerWaalsContact CZ-O 3.24Å; R714-L886 PolarHBondContact NH1-O 3.05Å; R714-L886 PolarHBondContact NH2-O 2.77Å
715	Q	85.2	Confident	84.5	Confident	122 Å²	122	51.1 Å²	51.1	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-60.9	-44.7	179.5	-176.8	176.8	-13.6	0	0	111.5	D711 A712 I713 R717 V718 E719	D711-Q715 WeakPolarHBondContact O-CB 3.23Å; D711-Q715 PolarHBondContact O-N 3.46Å; A712-Q715 PolarHBondContact O-N 3.04Å; I713-Q715 PolarHBondContact O-N 3.11Å; Q715-R717 PolarHBondContact O-N 2.69Å; Q715-V718 PolarHBondContact O-N 3.31Å; Q715-E719 PolarHBondContact O-N 3.48Å
716	Q	86.9	Confident	86.1	Confident	42 Å²	42	48.6 Å²	48.6	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.9	178	-169	172.2	38.2	0	0	111.7	A712 I713 R714 V718 E719 L720 L846	A712-Q716 WeakPolarHBondContact O-CB 3.25Å; A712-Q716 PolarHBondContact O-N 3.28Å; I713-Q716 PolarHBondContact O-N 3.2Å; R714-Q716 VanDerWaalsContact C-N 3.35Å; R714-Q716 PolarHBondContact O-N 3.05Å; Q716-V718 VanDerWaalsContact C-N 3.34Å; Q716-V718 PolarHBondContact O-N 2.81Å; Q716-E719 PolarHBondContact O-N 2.84Å; Q716-L720 HydrophobicContact CG-CD1 4.39Å; Q716-L720 VanDerWaalsContact O-CG 3.29Å; Q716-L720 WeakPolarHBondContact O-CG 3.44Å; Q716-L720 PolarHBondContact O-N 2.86Å; Q716-L846 HydrophobicContact CG-CD1 4.12Å
717	R	90.6	Very high	87.6	Confident	20 Å²	20	41.7 Å²	41.7	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-41.9	174.9	-71.1	-176.1	-172.9	159.2	0.4	112.1	I713 R714 Q715 E719 L720 L721 L846 T848 Y883 E888	I713-R717 HydrophobicContact CG2-CG 4.44Å; I713-R717 VanDerWaalsContact O-CG 3.32Å; I713-R717 WeakPolarHBondContact O-CG 3.39Å; I713-R717 PolarHBondContact O-N 3.01Å; R714-R717 PolarHBondContact O-N 3.3Å; Q715-R717 PolarHBondContact O-N 2.69Å; R717-E719 VanDerWaalsContact C-N 3.33Å; R717-E719 PolarHBondContact O-N 2.84Å; R717-L720 PolarHBondContact O-N 3.15Å; R717-L721 WeakPolarHBondContact O-CB 3.18Å; R717-L721 VanDerWaalsContact O-CG 3.26Å; R717-L721 WeakPolarHBondContact O-CG 3.11Å; R717-L721 PolarHBondContact O-N 3.39Å; R717-L846 VanDerWaalsContact CD-O 3.3Å; R717-L846 WeakPolarHBondContact CD-O 2.93Å; R717-L846 VanDerWaalsContact CG-O 3.3Å; R717-L846 WeakPolarHBondContact CG-O 3.45Å; R717-L846 PolarHBondContact NE-O 2.79Å; R717-T848 VanDerWaalsContact NH1-CG2 3.26Å; R717-Y883 HydrophobicContact CB-CE1 4.36Å; R717-Y883 WeakPolarHBondContact CD-OH 2.94Å; R717-E888 IonicContact NH1-OE2 2.76Å; R717-E888 PolarHBondContact NH1-OE2 3.3Å
718	V	90.5	Very high	89.1	Confident	35 Å²	35	38.5 Å²	38.5	21%	0.212	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-40.4	176.9	171.4	0	0	0	0	111.4	R714 Q715 Q716 K722 Y883	R714-V718 WeakPolarHBondContact O-CG2 3.2Å; R714-V718 PolarHBondContact O-N 2.87Å; Q715-V718 PolarHBondContact O-N 3.31Å; Q716-V718 VanDerWaalsContact C-N 3.34Å; Q716-V718 PolarHBondContact O-N 2.81Å; V718-K722 WeakPolarHBondContact O-CG 3.5Å; V718-K722 PolarHBondContact O-N 2.85Å; V718-K722 VanDerWaalsContact O-N 3.1Å; V718-Y883 HydrophobicContact CG2-CD2 4.33Å; V718-Y883 HydrophobicContact CG2-CG 3.92Å
719	E	90.9	Very high	90.5	Very high	62 Å²	62	39.7 Å²	39.7	29%	0.29	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-46.2	174.4	-70.7	-179.2	-162	0	0	112	R677 Q715 Q716 R717 L721 K722 F723	R677-E719 IonicContact NH1-OE2 3.82Å; R677-E719 PolarHBondContact NH1-OE2 3.4Å; R677-E719 VanDerWaalsContact NH1-OE2 3.17Å; Q715-E719 PolarHBondContact O-N 3.48Å; Q716-E719 PolarHBondContact O-N 2.84Å; R717-E719 VanDerWaalsContact C-N 3.33Å; R717-E719 PolarHBondContact O-N 2.84Å; E719-L721 VanDerWaalsContact C-N 3.32Å; E719-L721 PolarHBondContact O-N 2.89Å; E719-K722 WeakPolarHBondContact O-CB 3.44Å; E719-K722 PolarHBondContact O-N 2.76Å; E719-K722 VanDerWaalsContact O-N 3.13Å; E719-F723 PolarHBondContact O-N 2.93Å
720	L	95.4	Very high	91.6	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-37.8	177.7	-65.2	175.3	0	0	0	112.3	L674 Q716 R717 K722 F723 A724 L815 F816 L818 L846	L674-L720 HydrophobicContact CD2-CD2 3.47Å; L674-L720 VanDerWaalsContact CD2-CD2 3.47Å; Q716-L720 HydrophobicContact CG-CD1 4.39Å; Q716-L720 VanDerWaalsContact O-CG 3.29Å; Q716-L720 WeakPolarHBondContact O-CG 3.44Å; Q716-L720 PolarHBondContact O-N 2.86Å; R717-L720 PolarHBondContact O-N 3.15Å; L720-K722 VanDerWaalsContact C-N 3.31Å; L720-K722 PolarHBondContact O-N 3Å; L720-F723 PolarHBondContact O-N 2.88Å; L720-A724 WeakPolarHBondContact O-CB 3.28Å; L720-A724 PolarHBondContact O-N 3.47Å; L720-L815 WeakPolarHBondContact CD1-O 3.44Å; L720-L815 HydrophobicContact CD2-CB 4.35Å; L720-L815 HydrophobicContact CD2-CD2 3.92Å; L720-L815 WeakPolarHBondContact CD2-O 3.49Å; L720-F816 HydrophobicContact CB-CD1 4.39Å; L720-F816 HydrophobicContact CB-CE1 3.89Å; L720-F816 HydrophobicContact CB-CZ 4.06Å; L720-F816 HydrophobicContact CD1-CD1 3.76Å; L720-F816 HydrophobicContact CD1-CE1 4.02Å; L720-F816 HydrophobicContact CD1-CG 4.4Å; L720-L818 HydrophobicContact CD1-CD2 4.25Å; L720-L818 HydrophobicContact CD2-CD2 4.34Å; L720-L846 HydrophobicContact CD1-CB 4.4Å; L720-L846 HydrophobicContact CD1-CD1 3.84Å
721	L	96.6	Very high	92.7	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-68.5	-27.6	175.3	-73.6	165.4	0	0	0	112.8	R717 E719 L725 F816 I851 I876 I879 K880 Y883	R717-L721 WeakPolarHBondContact O-CB 3.18Å; R717-L721 VanDerWaalsContact O-CG 3.26Å; R717-L721 WeakPolarHBondContact O-CG 3.11Å; R717-L721 PolarHBondContact O-N 3.39Å; E719-L721 VanDerWaalsContact C-N 3.32Å; E719-L721 PolarHBondContact O-N 2.89Å; L721-L725 WeakPolarHBondContact O-CB 3.34Å; L721-L725 PolarHBondContact O-N 2.68Å; L721-F816 HydrophobicContact CD2-CZ 3.88Å; L721-F816 HydrophobicContact CG-CZ 3.99Å; L721-I851 HydrophobicContact CD1-CD1 4.42Å; L721-I851 HydrophobicContact CD2-CD1 4.14Å; L721-I851 HydrophobicContact CD2-CG1 4.35Å; L721-I876 HydrophobicContact CD2-CG2 4.02Å; L721-I879 HydrophobicContact CD1-CG2 3.87Å; L721-I879 HydrophobicContact CD2-CG2 4.11Å; L721-K880 HydrophobicContact CB-CB 4.16Å; L721-K880 HydrophobicContact CB-CD 4.4Å; L721-K880 HydrophobicContact CB-CG 4.25Å; L721-K880 HydrophobicContact CD1-CB 4.21Å; L721-Y883 HydrophobicContact CD1-CD2 3.76Å; L721-Y883 HydrophobicContact CD1-CE2 3.49Å; L721-Y883 VanDerWaalsContact CD1-CE2 3.49Å
722	K	96	Very high	93.5	Very high	97 Å²	97	30.1 Å²	30.1	42%	0.422	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-54	170	-72.8	171.7	-179.2	-178.8	0	109.9	V718 E719 L720 A724 L725 D726 K880	V718-K722 WeakPolarHBondContact O-CG 3.5Å; V718-K722 PolarHBondContact O-N 2.85Å; V718-K722 VanDerWaalsContact O-N 3.1Å; E719-K722 WeakPolarHBondContact O-CB 3.44Å; E719-K722 PolarHBondContact O-N 2.76Å; E719-K722 VanDerWaalsContact O-N 3.13Å; L720-K722 VanDerWaalsContact C-N 3.31Å; L720-K722 PolarHBondContact O-N 3Å; K722-A724 VanDerWaalsContact C-N 3.27Å; K722-A724 PolarHBondContact O-N 3.03Å; K722-L725 PolarHBondContact O-N 3.31Å; K722-L725 VanDerWaalsContact O-N 3.08Å; K722-D726 PolarHBondContact O-N 3.08Å; K722-D726 VanDerWaalsContact O-OD1 3.1Å; K722-K880 HydrophobicContact CG-CD 4.42Å
723	F	97.8	Very high	94.4	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.022	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-39.6	177.1	-58.9	-40.6	0	0	0	112.7	L670 F673 E719 L720 L725 I727 V751 F755 A757 L815	L670-F723 HydrophobicContact CD1-CD2 3.8Å; L670-F723 HydrophobicContact CD1-CE2 4.01Å; L670-F723 HydrophobicContact CD1-CG 4.18Å; F673-F723 HydrophobicContact CD1-CE2 4.47Å; F673-F723 AromaticContact CE1-CE2 3.81Å; F673-F723 HydrophobicContact CE1-CE2 3.81Å; F673-F723 AromaticContact CE1-CZ 3.69Å; F673-F723 HydrophobicContact CE1-CZ 3.69Å; F673-F723 HydrophobicContact CZ-CZ 4.19Å; E719-F723 PolarHBondContact O-N 2.93Å; L720-F723 PolarHBondContact O-N 2.88Å; F723-L725 VanDerWaalsContact C-N 3.35Å; F723-L725 PolarHBondContact O-N 3.05Å; F723-I727 WeakPolarHBondContact O-CG1 3.11Å; F723-I727 PolarHBondContact O-N 3.49Å; F723-I727 VanDerWaalsContact O-N 3.16Å; F723-V751 HydrophobicContact CE1-CG1 4.12Å; F723-V751 HydrophobicContact CE1-CG2 4.35Å; F723-V751 HydrophobicContact CZ-CG1 4.4Å; F723-F755 HydrophobicContact CE1-CB 4.28Å; F723-F755 VanDerWaalsContact CE1-O 3.29Å; F723-F755 WeakPolarHBondContact CE1-O 3.42Å; F723-F755 HydrophobicContact CZ-CB 4.45Å; F723-A757 HydrophobicContact CB-CB 4.03Å; F723-A757 HydrophobicContact CD1-CB 3.62Å; F723-A757 HydrophobicContact CE1-CB 4.49Å; F723-A757 HydrophobicContact CG-CB 4.2Å; F723-L815 HydrophobicContact CB-CD2 3.86Å; F723-L815 HydrophobicContact CD2-CD2 4.08Å; F723-L815 HydrophobicContact CG-CD2 4.46Å
724	A	98.5	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-45.9	175.7	0	0	0	0	0	111.5	L720 K722 A728 Y808 L812 L815 I876	L720-A724 WeakPolarHBondContact O-CB 3.28Å; L720-A724 PolarHBondContact O-N 3.47Å; K722-A724 VanDerWaalsContact C-N 3.27Å; K722-A724 PolarHBondContact O-N 3.03Å; A724-A728 WeakPolarHBondContact O-CB 2.91Å; A724-A728 PolarHBondContact O-N 3.14Å; A724-Y808 VanDerWaalsContact C-OH 3.31Å; A724-Y808 PolarHBondContact O-OH 2.87Å; A724-L812 HydrophobicContact CB-CD2 3.65Å; A724-L815 HydrophobicContact CB-CD1 3.91Å; A724-I876 HydrophobicContact CB-CD1 4.07Å; A724-I876 HydrophobicContact CB-CG2 4.27Å
725	L	98.4	Very high	95.7	Very high	39 Å²	39	29.5 Å²	29.5	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-45.6	179.5	-174.3	60.7	0	0	0	111.8	L721 K722 F723 I727 A728 D729 C873 I876	L721-L725 WeakPolarHBondContact O-CB 3.34Å; L721-L725 PolarHBondContact O-N 2.68Å; K722-L725 PolarHBondContact O-N 3.31Å; K722-L725 VanDerWaalsContact O-N 3.08Å; F723-L725 VanDerWaalsContact C-N 3.35Å; F723-L725 PolarHBondContact O-N 3.05Å; L725-I727 VanDerWaalsContact C-N 3.29Å; L725-I727 PolarHBondContact O-N 3.18Å; L725-A728 PolarHBondContact O-N 3.34Å; L725-D729 WeakPolarHBondContact O-CB 3.43Å; L725-D729 PolarHBondContact O-N 3.11Å; L725-C873 HydrophobicContact CD1-CB 4.27Å; L725-I876 HydrophobicContact CB-CG2 3.85Å; L725-I876 HydrophobicContact CD1-CB 4.39Å; L725-I876 HydrophobicContact CD1-CG2 4.26Å
726	D	98.4	Very high	96.3	Very high	21 Å²	21	28.3 Å²	28.3	11%	0.112	14%	0.142	C	C	.	.	H	α-helix	trans	-54.7	-47	178.1	-63.4	-3.8	0	0	0	110.7	H644 K722 D729 A730 A757	H644-D726 HydrophobicContact CB-CB 4.34Å; H644-D726 WeakPolarHBondContact CB-O 3.36Å; H644-D726 IonicContact CD2-OD1 3.66Å; H644-D726 VanDerWaalsContact CG-O 3.27Å; H644-D726 PolarHBondContact ND1-O 3.42Å; H644-D726 IonicContact NE2-OD1 3.19Å; K722-D726 PolarHBondContact O-N 3.08Å; K722-D726 VanDerWaalsContact O-OD1 3.1Å; D726-D729 PolarHBondContact O-N 2.84Å; D726-A730 PolarHBondContact O-N 3.12Å; D726-A730 VanDerWaalsContact O-N 3.1Å; D726-A757 HydrophobicContact CB-CB 4Å; D726-A757 PolarHBondContact OD2-N 2.8Å
727	I	98.8	Very high	96.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-76.5	-31.1	-178.7	-56.9	-56	0	0	0	112.9	F723 L725 D729 A730 L731 V749 A757 L759 Y808 L811	F723-I727 WeakPolarHBondContact O-CG1 3.11Å; F723-I727 PolarHBondContact O-N 3.49Å; F723-I727 VanDerWaalsContact O-N 3.16Å; L725-I727 VanDerWaalsContact C-N 3.29Å; L725-I727 PolarHBondContact O-N 3.18Å; I727-D729 VanDerWaalsContact C-N 3.29Å; I727-D729 PolarHBondContact O-N 2.91Å; I727-A730 PolarHBondContact O-N 3.13Å; I727-L731 HydrophobicContact CG2-CD1 4.04Å; I727-L731 HydrophobicContact CG2-CG 4.46Å; I727-L731 WeakPolarHBondContact O-CG 3.14Å; I727-L731 PolarHBondContact O-N 3.25Å; I727-V749 HydrophobicContact CD1-CB 4.33Å; I727-V749 HydrophobicContact CD1-CG1 3.59Å; I727-V749 HydrophobicContact CD1-CG2 3.83Å; I727-V749 HydrophobicContact CG1-CG1 3.87Å; I727-V749 HydrophobicContact CG1-CG2 3.89Å; I727-V749 HydrophobicContact CG2-CG2 4.35Å; I727-A757 HydrophobicContact CD1-CB 3.99Å; I727-A757 HydrophobicContact CG1-CB 4.07Å; I727-L759 HydrophobicContact CD1-CB 4.22Å; I727-L759 HydrophobicContact CG2-CD1 4.42Å; I727-Y808 HydrophobicContact CB-CE2 4.35Å; I727-Y808 HydrophobicContact CG2-CD2 4.35Å; I727-Y808 HydrophobicContact CG2-CE2 4.27Å; I727-L811 HydrophobicContact CB-CD2 4.07Å; I727-L811 HydrophobicContact CG1-CD2 4.42Å; I727-L811 HydrophobicContact CG2-CD2 3.54Å
728	A	98.7	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-39.6	171.4	0	0	0	0	0	111.3	A724 L725 L731 L732 Y808 I872 C873 I876	A724-A728 WeakPolarHBondContact O-CB 2.91Å; A724-A728 PolarHBondContact O-N 3.14Å; L725-A728 PolarHBondContact O-N 3.34Å; A728-L731 PolarHBondContact O-N 3.35Å; A728-L732 WeakPolarHBondContact O-CB 3.21Å; A728-L732 PolarHBondContact O-N 3.36Å; A728-Y808 HydrophobicContact CB-CE2 4.01Å; A728-I872 HydrophobicContact CB-CG2 4.02Å; A728-C873 VanDerWaalsContact CB-SG 3.5Å; A728-I876 HydrophobicContact CB-CD1 4.42Å
729	D	98.6	Very high	97.2	Very high	50 Å²	50	31.2 Å²	31.2	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-66.2	-42.4	177.4	-173.7	58	0	0	0	111.9	H642 H644 L725 D726 I727 L731 L732 Y733	H642-D729 IonicContact CE1-OD2 2.76Å; H642-D729 PolarHBondContact CE1-OD2 3.25Å; H642-D729 VanDerWaalsContact CE1-OD2 3.22Å; H642-D729 IonicContact NE2-OD2 3.41Å; H642-D729 PolarHBondContact NE2-OD2 3.46Å; H644-D729 IonicContact CE1-OD2 3.96Å; H644-D729 PolarHBondContact CE1-OD2 3.48Å; H644-D729 VanDerWaalsContact CE1-OD2 3.25Å; H644-D729 IonicContact CG-OD2 2.85Å; H644-D729 IonicContact ND1-OD2 2.68Å; H644-D729 PolarHBondContact ND1-OD2 3.03Å; L725-D729 WeakPolarHBondContact O-CB 3.43Å; L725-D729 PolarHBondContact O-N 3.11Å; D726-D729 PolarHBondContact O-N 2.84Å; I727-D729 VanDerWaalsContact C-N 3.29Å; I727-D729 PolarHBondContact O-N 2.91Å; D729-L731 VanDerWaalsContact C-N 3.33Å; D729-L731 PolarHBondContact O-N 2.86Å; D729-L732 WeakPolarHBondContact O-CB 3.35Å; D729-L732 PolarHBondContact O-N 2.89Å; D729-Y733 PolarHBondContact O-N 3.17Å
730	A	98.6	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-43.2	171.5	0	0	0	0	0	112.8	H644 I645 D726 I727 Y733 F734 L759	H644-A730 HydrophobicContact CB-CB 3.97Å; H644-A730 WeakPolarHBondContact O-CB 3.49Å; I645-A730 HydrophobicContact CD1-CB 4.44Å; I645-A730 HydrophobicContact CG1-CB 3.89Å; D726-A730 PolarHBondContact O-N 3.12Å; D726-A730 VanDerWaalsContact O-N 3.1Å; I727-A730 PolarHBondContact O-N 3.13Å; A730-Y733 WeakPolarHBondContact O-CB 3.49Å; A730-Y733 PolarHBondContact O-N 3.47Å; A730-F734 WeakPolarHBondContact O-CD2 3.09Å; A730-F734 PolarHBondContact O-N 3.39Å; A730-F734 VanDerWaalsContact O-N 3.1Å; A730-L759 HydrophobicContact CB-CB 4.07Å; A730-L759 HydrophobicContact CB-CD2 4.19Å
731	L	98.7	Very high	97.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-76.3	-28	-179.2	-69.9	169.2	0	0	0	113.1	I727 A728 D729 F734 E735 H741 V744 L759 Y808 F869	I727-L731 HydrophobicContact CG2-CD1 4.04Å; I727-L731 HydrophobicContact CG2-CG 4.46Å; I727-L731 WeakPolarHBondContact O-CG 3.14Å; I727-L731 PolarHBondContact O-N 3.25Å; A728-L731 PolarHBondContact O-N 3.35Å; D729-L731 VanDerWaalsContact C-N 3.33Å; D729-L731 PolarHBondContact O-N 2.86Å; L731-F734 WeakPolarHBondContact O-CB 3.48Å; L731-F734 PolarHBondContact O-N 3.24Å; L731-E735 WeakPolarHBondContact O-CB 3.43Å; L731-E735 PolarHBondContact O-N 3.15Å; L731-H741 HydrophobicContact CD2-CB 4.31Å; L731-V744 HydrophobicContact CD1-CG1 3.97Å; L731-V744 HydrophobicContact CD1-CG2 4.04Å; L731-V744 HydrophobicContact CD2-CG2 3.74Å; L731-L759 HydrophobicContact CD2-CD2 3.69Å; L731-L759 HydrophobicContact CG-CD2 4.12Å; L731-Y808 HydrophobicContact CD1-CD2 3.63Å; L731-Y808 HydrophobicContact CD1-CE2 4.5Å; L731-Y808 HydrophobicContact CD1-CG 4.26Å; L731-F869 HydrophobicContact CB-CD1 3.62Å; L731-F869 HydrophobicContact CB-CD2 3.98Å; L731-F869 HydrophobicContact CB-CE1 3.43Å; L731-F869 VanDerWaalsContact CB-CE1 3.43Å; L731-F869 HydrophobicContact CB-CE2 3.79Å; L731-F869 HydrophobicContact CB-CG 3.91Å; L731-F869 HydrophobicContact CB-CZ 3.52Å; L731-F869 HydrophobicContact CD1-CD1 4.41Å; L731-F869 HydrophobicContact CD1-CE1 3.5Å; L731-F869 VanDerWaalsContact CD1-CE1 3.5Å; L731-F869 HydrophobicContact CD1-CZ 3.63Å; L731-F869 HydrophobicContact CD2-CZ 4.48Å; L731-F869 HydrophobicContact CG-CE1 4.08Å; L731-F869 HydrophobicContact CG-CZ 4.07Å
732	L	98.5	Very high	97.1	Very high	36 Å²	36	28.5 Å²	28.5	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-47.7	167.4	176	56.4	0	0	0	110.3	A728 D729 F734 E735 T736 F869	A728-L732 WeakPolarHBondContact O-CB 3.21Å; A728-L732 PolarHBondContact O-N 3.36Å; D729-L732 WeakPolarHBondContact O-CB 3.35Å; D729-L732 PolarHBondContact O-N 2.89Å; L732-F734 VanDerWaalsContact C-N 3.34Å; L732-F734 PolarHBondContact O-N 3.28Å; L732-E735 WeakPolarHBondContact O-CB 3.25Å; L732-E735 PolarHBondContact O-N 3Å; L732-E735 VanDerWaalsContact O-N 3.17Å; L732-T736 WeakPolarHBondContact O-CG2 3.11Å; L732-T736 PolarHBondContact O-N 2.96Å; L732-F869 HydrophobicContact CB-CB 3.82Å; L732-F869 HydrophobicContact CD1-CB 4.18Å
733	Y	98.4	Very high	96.9	Very high	40 Å²	40	24.1 Å²	24.1	16%	0.157	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-44.9	175.3	179.6	-118	0	0	0	111.9	L639 E640 H642 I645 D729 A730 E735 T736 L737	L639-Y733 HydrophobicContact CD2-CE1 3.95Å; E640-Y733 WeakPolarHBondContact CB-OH 3.39Å; E640-Y733 PolarHBondContact N-OH 3.12Å; H642-Y733 HydrophobicContact CB-CD1 4.41Å; H642-Y733 HydrophobicContact CB-CE1 4.47Å; H642-Y733 AromaticContact CD2-CD1 4Å; H642-Y733 AromaticContact CD2-CG 3.81Å; I645-Y733 HydrophobicContact CD1-CD1 3.56Å; I645-Y733 HydrophobicContact CD1-CE1 4.14Å; D729-Y733 PolarHBondContact O-N 3.17Å; A730-Y733 WeakPolarHBondContact O-CB 3.49Å; A730-Y733 PolarHBondContact O-N 3.47Å; Y733-E735 VanDerWaalsContact C-N 3.34Å; Y733-E735 PolarHBondContact O-N 3.25Å; Y733-T736 PolarHBondContact O-N 3.13Å; Y733-T736 VanDerWaalsContact O-N 3.15Å; Y733-T736 PolarHBondContact O-OG1 3.26Å; Y733-L737 HydrophobicContact CD1-CD1 4.27Å; Y733-L737 HydrophobicContact CE1-CD1 3.73Å; Y733-L737 HydrophobicContact CE2-CD1 4.06Å; Y733-L737 HydrophobicContact CE2-CG 4.32Å; Y733-L737 PolarHBondContact O-N 2.87Å
734	F	97.8	Very high	96.9	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-56.6	-45.1	173.6	-92.7	-122.8	0	0	0	112.6	V635 L639 I645 A730 L731 L732 T736 L737 S738 L739 H741 F762	V635-F734 HydrophobicContact CG1-CZ 4.44Å; L639-F734 HydrophobicContact CD1-CE2 3.86Å; L639-F734 HydrophobicContact CD1-CZ 4.01Å; I645-F734 HydrophobicContact CD1-CD2 3.95Å; I645-F734 HydrophobicContact CD1-CE2 3.59Å; I645-F734 HydrophobicContact CG1-CE2 4.26Å; A730-F734 WeakPolarHBondContact O-CD2 3.09Å; A730-F734 PolarHBondContact O-N 3.39Å; A730-F734 VanDerWaalsContact O-N 3.1Å; L731-F734 WeakPolarHBondContact O-CB 3.48Å; L731-F734 PolarHBondContact O-N 3.24Å; L732-F734 VanDerWaalsContact C-N 3.34Å; L732-F734 PolarHBondContact O-N 3.28Å; F734-T736 VanDerWaalsContact C-N 3.32Å; F734-T736 PolarHBondContact O-N 3.49Å; F734-L737 CarbonylContact O-C 3.58Å; F734-L737 PolarHBondContact O-N 2.83Å; F734-L737 VanDerWaalsContact O-N 3.12Å; F734-S738 PolarHBondContact O-N 2.67Å; F734-L739 CarbonylContact C-O 3.23Å; F734-L739 HydrophobicContact CB-CB 4.4Å; F734-L739 HydrophobicContact CD1-CB 3.83Å; F734-L739 HydrophobicContact CE1-CB 4.34Å; F734-L739 HydrophobicContact CG-CB 4.27Å; F734-L739 PolarHBondContact O-N 3.41Å; F734-H741 HydrophobicContact CD1-CB 4.32Å; F734-H741 HydrophobicContact CE1-CB 4.3Å; F734-F762 AromaticContact CE1-CD1 3.86Å; F734-F762 HydrophobicContact CE1-CD1 3.86Å; F734-F762 HydrophobicContact CE1-CE1 4.02Å; F734-F762 AromaticContact CE2-CE1 3.97Å; F734-F762 HydrophobicContact CE2-CE1 3.97Å; F734-F762 AromaticContact CZ-CD1 3.44Å; F734-F762 HydrophobicContact CZ-CD1 3.44Å; F734-F762 VanDerWaalsContact CZ-CD1 3.44Å; F734-F762 AromaticContact CZ-CE1 3.26Å; F734-F762 HydrophobicContact CZ-CE1 3.26Å; F734-F762 HydrophobicContact CZ-CZ 4.27Å
735	E	97.1	Very high	96.9	Very high	40 Å²	40	23.9 Å²	23.9	19%	0.187	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-40.7	177.1	-177.7	168.5	-114.5	0	0	111.6	L731 L732 Y733 L737 S738 S801 F869	L731-E735 WeakPolarHBondContact O-CB 3.43Å; L731-E735 PolarHBondContact O-N 3.15Å; L732-E735 WeakPolarHBondContact O-CB 3.25Å; L732-E735 PolarHBondContact O-N 3Å; L732-E735 VanDerWaalsContact O-N 3.17Å; Y733-E735 VanDerWaalsContact C-N 3.34Å; Y733-E735 PolarHBondContact O-N 3.25Å; E735-L737 PolarHBondContact O-N 3.25Å; E735-S738 PolarHBondContact O-N 3.44Å; E735-S801 WeakPolarHBondContact OE1-CB 3.42Å; E735-S801 PolarHBondContact OE1-OG 3.33Å; E735-F869 HydrophobicContact CB-CD2 4.25Å; E735-F869 PolarHBondContact OE2-N 3.48Å
736	T	96.9	Very high	96.8	Very high	97 Å²	97	22 Å²	22	60%	0.595	12%	0.121	S	C	*	.	H	α-helix	trans	-63.1	-29.4	176.5	67.4	0	0	0	0	113.5	L732 Y733 F734 S738	L732-T736 WeakPolarHBondContact O-CG2 3.11Å; L732-T736 PolarHBondContact O-N 2.96Å; Y733-T736 PolarHBondContact O-N 3.13Å; Y733-T736 VanDerWaalsContact O-N 3.15Å; Y733-T736 PolarHBondContact O-OG1 3.26Å; F734-T736 VanDerWaalsContact C-N 3.32Å; F734-T736 PolarHBondContact O-N 3.49Å; T736-S738 VanDerWaalsContact C-N 3.33Å
737	L	96.2	Very high	96.6	Very high	76 Å²	76	23 Å²	23	40%	0.398	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2	177.8	-62.2	-179	0	0	0	113.2	L639 Y733 F734 E735 L739	L639-L737 HydrophobicContact CD2-CD1 3.47Å; L639-L737 VanDerWaalsContact CD2-CD1 3.47Å; Y733-L737 HydrophobicContact CD1-CD1 4.27Å; Y733-L737 HydrophobicContact CE1-CD1 3.73Å; Y733-L737 HydrophobicContact CE2-CD1 4.06Å; Y733-L737 HydrophobicContact CE2-CG 4.32Å; Y733-L737 PolarHBondContact O-N 2.87Å; F734-L737 CarbonylContact O-C 3.58Å; F734-L737 PolarHBondContact O-N 2.83Å; F734-L737 VanDerWaalsContact O-N 3.12Å; E735-L737 PolarHBondContact O-N 3.25Å; L737-L739 HydrophobicContact CB-CB 4.38Å; L737-L739 HydrophobicContact CB-CD1 3.81Å; L737-L739 HydrophobicContact CB-CG 3.93Å; L737-L739 HydrophobicContact CD1-CD1 3.87Å; L737-L739 PolarHBondContact O-N 2.96Å
738	S	95.1	Very high	96.5	Very high	62 Å²	62	23.3 Å²	23.3	43%	0.434	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.1	-170.4	-57.7	0	0	0	0	112.6	F734 E735 T736 T767 Q768	F734-S738 PolarHBondContact O-N 2.67Å; E735-S738 PolarHBondContact O-N 3.44Å; T736-S738 VanDerWaalsContact C-N 3.33Å; S738-T767 CarbonylContact O-C 3.3Å; S738-T767 WeakPolarHBondContact O-CA 3.42Å; S738-Q768 PolarHBondContact O-N 3.46Å
739	L	95.4	Very high	96.4	Very high	20 Å²	20	23.3 Å²	23.3	11%	0.105	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.9	174.9	-73.5	172.7	0	0	0	110.2	L639 F734 L737 T767	L639-L739 HydrophobicContact CD2-CD1 3.71Å; F734-L739 CarbonylContact C-O 3.23Å; F734-L739 HydrophobicContact CB-CB 4.4Å; F734-L739 HydrophobicContact CD1-CB 3.83Å; F734-L739 HydrophobicContact CE1-CB 4.34Å; F734-L739 HydrophobicContact CG-CB 4.27Å; F734-L739 PolarHBondContact O-N 3.41Å; L737-L739 HydrophobicContact CB-CB 4.38Å; L737-L739 HydrophobicContact CB-CD1 3.81Å; L737-L739 HydrophobicContact CB-CG 3.93Å; L737-L739 HydrophobicContact CD1-CD1 3.87Å; L737-L739 PolarHBondContact O-N 2.96Å; L739-T767 HydrophobicContact CD2-CG2 3.7Å
740	F	94	Very high	96.4	Very high	5 Å²	5	22 Å²	22	2%	0.022	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	176.7	-45.4	-43.5	0	0	0	109.1	R742 A765 C766 Q768 Y799 D804	F740-R742 HydrophobicContact CB-CG 3.94Å; F740-A765 CarbonylContact O-C 3.59Å; F740-A765 WeakPolarHBondContact O-CA 3.32Å; F740-A765 WeakPolarHBondContact O-CB 3.38Å; F740-C766 PolarHBondContact N-O 3.47Å; F740-C766 PolarHBondContact O-N 3.06Å; F740-Q768 HydrophobicContact CE2-CB 4.12Å; F740-Q768 HydrophobicContact CZ-CB 3.97Å; F740-Q768 HydrophobicContact CZ-CG 4.44Å; F740-Q768 VanDerWaalsContact CZ-OE1 3.24Å; F740-Y799 WeakPolarHBondContact CE2-O 3.45Å; F740-D804 VanDerWaalsContact CA-OD2 3.24Å; F740-D804 WeakPolarHBondContact CA-OD2 3.42Å
741	H	94.8	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.			trans	-75.5	-43.1	-179.3	-172.2	-59.3	0	0	0	112	L731 F734 D743 V744 L759 C760 D761 F762 D804	L731-H741 HydrophobicContact CD2-CB 4.31Å; F734-H741 HydrophobicContact CD1-CB 4.32Å; F734-H741 HydrophobicContact CE1-CB 4.3Å; H741-D743 PolarHBondContact ND1-N 3.04Å; H741-D743 PolarHBondContact O-N 3.29Å; H741-D743 VanDerWaalsContact O-N 3.11Å; H741-V744 HydrophobicContact CB-CG2 3.85Å; H741-L759 VanDerWaalsContact CD2-CD2 3.45Å; H741-L759 WeakPolarHBondContact CD2-CD2 3.4Å; H741-C760 PolarHBondContact NE2-O 3.28Å; H741-C760 VanDerWaalsContact NE2-O 3.11Å; H741-D761 PolarHBondContact CE1-O 3.38Å; H741-F762 AromaticContact CD2-CD1 3.68Å; H741-F762 AromaticContact CD2-CE1 3.65Å; H741-F762 AromaticContact NE2-CD1 3.8Å; H741-F762 AromaticContact NE2-CE1 3.8Å; H741-D804 PolarHBondContact N-OD2 2.85Å
742	R	91.8	Very high	95.9	Very high	8 Å²	8	22.3 Å²	22.3	3%	0.03	12%	0.12	C	C	.	.	S	Bend	trans	66.1	4.9	175.7	-55	175.2	54	-138.5	3.8	116.7	F740 Y764 C766 M776 M778 Y799 D804	F740-R742 HydrophobicContact CB-CG 3.94Å; R742-Y764 WeakPolarHBondContact CD-O 3.06Å; R742-Y764 PolarHBondContact NH1-O 3.1Å; R742-C766 WeakPolarHBondContact CD-SG 3.22Å; R742-M776 VanDerWaalsContact NH1-CB 3.29Å; R742-M776 PolarHBondContact NH1-SD 3.01Å; R742-M776 VanDerWaalsContact NH1-SD 3.36Å; R742-M778 VanDerWaalsContact NH2-CG 3.32Å; R742-Y799 HydrophobicContact CB-CD1 4.31Å; R742-Y799 HydrophobicContact CB-CE1 4.32Å; R742-Y799 HydrophobicContact CG-CD1 3.62Å; R742-Y799 HydrophobicContact CG-CE1 4.1Å; R742-Y799 HydrophobicContact CG-CG 4.12Å; R742-Y799 VanDerWaalsContact NE-CD1 3.29Å; R742-Y799 VanDerWaalsContact NE-CE1 3.32Å; R742-Y799 VanDerWaalsContact NH2-CZ 3.29Å; R742-Y799 PolarHBondContact NH2-OH 2.8Å; R742-D804 WeakPolarHBondContact CA-OD1 3.4Å; R742-D804 PolarHBondContact N-OD1 3.37Å
743	D	93	Very high	95.4	Very high	5 Å²	5	28 Å²	28	3%	0.027	15%	0.146	C	C	.	.			trans	-146.9	40.6	174.5	-157	29.3	0	0	0	111.7	H741 A745 R747 N748 Y764 A784	H741-D743 PolarHBondContact ND1-N 3.04Å; H741-D743 PolarHBondContact O-N 3.29Å; H741-D743 VanDerWaalsContact O-N 3.11Å; D743-A745 PolarHBondContact O-N 2.93Å; D743-R747 IonicContact OD1-CZ 3.17Å; D743-R747 IonicContact OD1-NH2 3.98Å; D743-R747 PolarHBondContact OD1-NH2 3.07Å; D743-R747 IonicContact OD2-CZ 3.01Å; D743-R747 IonicContact OD2-NH2 2.64Å; D743-R747 PolarHBondContact OD2-NH2 2.87Å; D743-N748 PolarHBondContact O-ND2 3.28Å; D743-N748 PolarHBondContact OD2-ND2 3.48Å; D743-Y764 HydrophobicContact CB-CD2 4.25Å; D743-A784 WeakPolarHBondContact OD1-CB 3.34Å
744	V	97.9	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.			trans	-67.3	117.7	176.4	-178.6	0	0	0	0	109.2	L731 H741 D804 L811	L731-V744 HydrophobicContact CD1-CG1 3.97Å; L731-V744 HydrophobicContact CD1-CG2 4.04Å; L731-V744 HydrophobicContact CD2-CG2 3.74Å; H741-V744 HydrophobicContact CB-CG2 3.85Å; V744-D804 HydrophobicContact CG2-CB 4.35Å; V744-L811 HydrophobicContact CG1-CB 4.37Å; V744-L811 HydrophobicContact CG1-CD2 4.01Å
745	A	97.4	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-162.4	159.1	179.4	0	0	0	0	0	110.4	D743 R747 N748 V749 W787	D743-A745 PolarHBondContact O-N 2.93Å; A745-R747 HydrophobicContact CB-CG 4Å; A745-R747 PolarHBondContact O-N 2.99Å; A745-R747 VanDerWaalsContact O-N 3.08Å; A745-N748 PolarHBondContact O-N 3.41Å; A745-V749 PolarHBondContact O-N 3.44Å; A745-W787 VanDerWaalsContact CB-CD1 3.48Å; A745-W787 HydrophobicContact CB-CD2 4.4Å; A745-W787 HydrophobicContact CB-CG 4.09Å
746	A	96.8	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.2	-23.5	-179.4	0	0	0	0	0	113.7	L670 R671 N748 L811 E814	L670-A746 WeakPolarHBondContact CB-O 3.33Å; L670-A746 PolarHBondContact N-O 3.28Å; R671-A746 HydrophobicContact CB-CB 3.94Å; R671-A746 PolarHBondContact N-O 3.21Å; A746-N748 VanDerWaalsContact C-N 3.32Å; A746-L811 HydrophobicContact CB-CD1 3.84Å; A746-E814 HydrophobicContact CB-CB 3.93Å; A746-E814 HydrophobicContact CB-CG 4.44Å; A746-E814 PolarHBondContact N-OE2 3.13Å
747	R	94.9	Very high	94.7	Very high	42 Å²	42	29.2 Å²	29.2	16%	0.158	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-73.4	-21.4	175.1	66	176.7	-172.3	-77.5	-6	114	N669 R671 D743 A745	N669-R747 WeakPolarHBondContact CB-O 3.39Å; R671-R747 HydrophobicContact CB-CB 4.44Å; D743-R747 IonicContact OD1-CZ 3.17Å; D743-R747 IonicContact OD1-NH2 3.98Å; D743-R747 PolarHBondContact OD1-NH2 3.07Å; D743-R747 IonicContact OD2-CZ 3.01Å; D743-R747 IonicContact OD2-NH2 2.64Å; D743-R747 PolarHBondContact OD2-NH2 2.87Å; A745-R747 HydrophobicContact CB-CG 4Å; A745-R747 PolarHBondContact O-N 2.99Å; A745-R747 VanDerWaalsContact O-N 3.08Å
748	N	95.5	Very high	94.8	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-106.4	16.4	-179.4	-66.6	-10.7	0	0	0	111.4	D743 A745 A746 C760 D761	D743-N748 PolarHBondContact O-ND2 3.28Å; D743-N748 PolarHBondContact OD2-ND2 3.48Å; A745-N748 PolarHBondContact O-N 3.41Å; A746-N748 VanDerWaalsContact C-N 3.32Å; N748-C760 PolarHBondContact O-N 3.14Å; N748-C760 VanDerWaalsContact O-O 3.08Å; N748-C760 PolarHBondContact O-SG 3.46Å; N748-D761 HydrophobicContact CB-CB 4.32Å
749	V	98	Very high	94.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.8	167.9	174	0	0	0	0	106.4	N669 L670 I727 A745 A757 K758 L759 L811	N669-V749 CarbonylContact C-O 3.51Å; N669-V749 VanDerWaalsContact CA-O 3.29Å; N669-V749 WeakPolarHBondContact CA-O 3.22Å; L670-V749 HydrophobicContact CB-CB 3.91Å; L670-V749 HydrophobicContact CB-CG1 3.87Å; L670-V749 WeakPolarHBondContact CB-O 3.47Å; L670-V749 HydrophobicContact CD2-CB 3.92Å; L670-V749 HydrophobicContact CD2-CG1 3.62Å; L670-V749 HydrophobicContact CG-CG1 4.37Å; L670-V749 PolarHBondContact N-O 3.03Å; I727-V749 HydrophobicContact CD1-CB 4.33Å; I727-V749 HydrophobicContact CD1-CG1 3.59Å; I727-V749 HydrophobicContact CD1-CG2 3.83Å; I727-V749 HydrophobicContact CG1-CG1 3.87Å; I727-V749 HydrophobicContact CG1-CG2 3.89Å; I727-V749 HydrophobicContact CG2-CG2 4.35Å; A745-V749 PolarHBondContact O-N 3.44Å; V749-A757 HydrophobicContact CG1-CB 3.82Å; V749-K758 CarbonylContact C-O 3.57Å; V749-K758 WeakPolarHBondContact CA-O 3.48Å; V749-L759 HydrophobicContact CG2-CD1 4.28Å; V749-L811 HydrophobicContact CG2-CD1 4.39Å; V749-L811 HydrophobicContact CG2-CD2 4.33Å
750	V	96.7	Very high	94.9	Very high	22 Å²	22	23.6 Å²	23.6	13%	0.133	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.4	176.4	-67.3	0	0	0	0	110.7	I646 A665 G668 A757 K758 C760	I646-V750 HydrophobicContact CD1-CG2 3.8Å; I646-V750 HydrophobicContact CG1-CG2 4.41Å; A665-V750 HydrophobicContact CB-CB 3.52Å; A665-V750 HydrophobicContact CB-CG1 4.32Å; A665-V750 HydrophobicContact CB-CG2 3.67Å; G668-V750 VanDerWaalsContact O-CA 3.3Å; G668-V750 WeakPolarHBondContact O-CA 3.29Å; V750-A757 WeakPolarHBondContact O-CA 3.42Å; V750-K758 HydrophobicContact CG2-CB 4.19Å; V750-K758 PolarHBondContact N-O 2.99Å; V750-K758 PolarHBondContact O-N 3.44Å; V750-C760 HydrophobicContact CG2-CB 4.41Å
751	V	95.6	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.1	-178.6	-175.9	0	0	0	0	109.3	A665 H667 G668 L670 F673 F723 F755 V756	A665-V751 CarbonylContact C-O 3.57Å; H667-V751 HydrophobicContact CB-CB 3.87Å; H667-V751 HydrophobicContact CB-CG1 4.06Å; H667-V751 WeakPolarHBondContact CB-O 3.49Å; H667-V751 PolarHBondContact N-O 2.96Å; H667-V751 VanDerWaalsContact N-O 3.12Å; G668-V751 PolarHBondContact O-N 3.34Å; L670-V751 HydrophobicContact CB-CG2 4.12Å; L670-V751 HydrophobicContact CD1-CG2 3.79Å; F673-V751 HydrophobicContact CD1-CG2 4.46Å; F673-V751 HydrophobicContact CG-CG2 4.5Å; F673-V751 HydrophobicContact CZ-CG1 4.47Å; F723-V751 HydrophobicContact CE1-CG1 4.12Å; F723-V751 HydrophobicContact CE1-CG2 4.35Å; F723-V751 HydrophobicContact CZ-CG1 4.4Å; V751-F755 HydrophobicContact CG1-CD1 4.38Å; V751-V756 WeakPolarHBondContact CA-O 3.44Å
752	T	92.3	Very high	94.7	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.049	13%	0.133	C	C	.	.			trans	-91.2	178.5	-179.3	66	0	0	0	0	111.6	A665 H667 G754 F755 V756 K758	A665-T752 HydrophobicContact CB-CG2 4.05Å; H667-T752 PolarHBondContact CD2-O 3.24Å; T752-G754 PolarHBondContact O-N 3.41Å; T752-F755 PolarHBondContact O-N 3.25Å; T752-F755 VanDerWaalsContact O-N 3.17Å; T752-V756 PolarHBondContact N-O 2.97Å; T752-V756 PolarHBondContact OG1-O 2.96Å; T752-K758 HydrophobicContact CG2-CD 3.71Å; T752-K758 HydrophobicContact CG2-CG 4.07Å
753	E	87.9	Confident	94.5	Very high	155 Å²	155	23.8 Å²	23.8	72%	0.724	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	140.7	168.7	-170	173.5	-161.4	0	0	110.6	I666	I666-E753 HydrophobicContact CD1-CB 3.83Å; I666-E753 HydrophobicContact CD1-CG 4.14Å; I666-E753 HydrophobicContact CG1-CB 4.33Å
754	G	88.6	Confident	94.2	Very high	61 Å²	61	23.8 Å²	23.8	63%	0.629	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	7.6	-174.4	0	0	0	0	0	115.3	T752	T752-G754 PolarHBondContact O-N 3.41Å
755	F	92.4	Very high	93.9	Very high	96 Å²	96	24 Å²	24	42%	0.421	13%	0.133	S	C	.	.	S	Bend	trans	58.6	43.5	-178.4	-56.4	-74.9	0	0	0	113.2	H667 F673 F723 V751 T752	H667-F755 AromaticContact NE2-CE1 3.81Å; F673-F755 HydrophobicContact CE2-CD1 4.14Å; F673-F755 AromaticContact CE2-CE1 3.94Å; F673-F755 HydrophobicContact CE2-CE1 3.94Å; F673-F755 AromaticContact CZ-CD1 3.67Å; F673-F755 HydrophobicContact CZ-CD1 3.67Å; F673-F755 AromaticContact CZ-CE1 3.75Å; F673-F755 HydrophobicContact CZ-CE1 3.75Å; F723-F755 HydrophobicContact CE1-CB 4.28Å; F723-F755 VanDerWaalsContact CE1-O 3.29Å; F723-F755 WeakPolarHBondContact CE1-O 3.42Å; F723-F755 HydrophobicContact CZ-CB 4.45Å; V751-F755 HydrophobicContact CG1-CD1 4.38Å; T752-F755 PolarHBondContact O-N 3.25Å; T752-F755 VanDerWaalsContact O-N 3.17Å
756	V	95.6	Very high	93.5	Very high	46 Å²	46	24 Å²	24	28%	0.279	13%	0.133	S	C	.	.			trans	-94.1	127.2	172.4	-179.2	0	0	0	0	108.8	V751 T752 K758	V751-V756 WeakPolarHBondContact CA-O 3.44Å; T752-V756 PolarHBondContact N-O 2.97Å; T752-V756 PolarHBondContact OG1-O 2.96Å; V756-K758 HydrophobicContact CG1-CG 4.36Å
757	A	98	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.1	174.5	0	0	0	0	0	110.5	F723 D726 I727 V749 V750	F723-A757 HydrophobicContact CB-CB 4.03Å; F723-A757 HydrophobicContact CD1-CB 3.62Å; F723-A757 HydrophobicContact CE1-CB 4.49Å; F723-A757 HydrophobicContact CG-CB 4.2Å; D726-A757 HydrophobicContact CB-CB 4Å; D726-A757 PolarHBondContact OD2-N 2.8Å; I727-A757 HydrophobicContact CD1-CB 3.99Å; I727-A757 HydrophobicContact CG1-CB 4.07Å; V749-A757 HydrophobicContact CG1-CB 3.82Å; V750-A757 WeakPolarHBondContact O-CA 3.42Å
758	K	98.5	Very high	92.8	Very high	23 Å²	23	27.1 Å²	27.1	10%	0.1	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.1	178	-56.2	-164.8	-178	-165.4	0	111.2	P643 H644 I646 E663 V749 V750 T752 V756	P643-K758 WeakPolarHBondContact O-CE 3.17Å; H644-K758 CarbonylContact O-C 3.57Å; H644-K758 VanDerWaalsContact O-CA 3.28Å; H644-K758 WeakPolarHBondContact O-CA 3.2Å; I646-K758 HydrophobicContact CD1-CD 4.45Å; E663-K758 IonicContact OE1-NZ 2.69Å; E663-K758 PolarHBondContact OE1-NZ 2.88Å; E663-K758 IonicContact OE2-NZ 2.77Å; E663-K758 PolarHBondContact OE2-NZ 2.76Å; V749-K758 CarbonylContact C-O 3.57Å; V749-K758 WeakPolarHBondContact CA-O 3.48Å; V750-K758 HydrophobicContact CG2-CB 4.19Å; V750-K758 PolarHBondContact N-O 2.99Å; V750-K758 PolarHBondContact O-N 3.44Å; T752-K758 HydrophobicContact CG2-CD 3.71Å; T752-K758 HydrophobicContact CG2-CG 4.07Å; V756-K758 HydrophobicContact CG1-CG 4.36Å
759	L	98.5	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.3	174.5	-169.2	60.4	0	0	0	110	H644 I646 I727 A730 L731 H741 V749 F762	H644-L759 PolarHBondContact O-N 3.18Å; I646-L759 PolarHBondContact N-O 3.39Å; I727-L759 HydrophobicContact CD1-CB 4.22Å; I727-L759 HydrophobicContact CG2-CD1 4.42Å; A730-L759 HydrophobicContact CB-CB 4.07Å; A730-L759 HydrophobicContact CB-CD2 4.19Å; L731-L759 HydrophobicContact CD2-CD2 3.69Å; L731-L759 HydrophobicContact CG-CD2 4.12Å; H741-L759 VanDerWaalsContact CD2-CD2 3.45Å; H741-L759 WeakPolarHBondContact CD2-CD2 3.4Å; V749-L759 HydrophobicContact CG2-CD1 4.28Å; L759-F762 HydrophobicContact CD2-CE1 4.36Å; L759-F762 HydrophobicContact CG-CE1 4.15Å; L759-F762 HydrophobicContact CG-CZ 4.48Å; L759-F762 WeakPolarHBondContact O-CZ 3.43Å
760	C	94.7	Very high	91.4	Very high	17 Å²	17	32.8 Å²	32.8	12%	0.115	18%	0.179	C	C	.	.			trans	-144.7	176.5	178.7	72.3	0	0	0	0	111.8	I646 H741 N748 V750	I646-C760 HydrophobicContact CB-CB 4.03Å; I646-C760 HydrophobicContact CG2-CB 3.59Å; H741-C760 PolarHBondContact NE2-O 3.28Å; H741-C760 VanDerWaalsContact NE2-O 3.11Å; N748-C760 PolarHBondContact O-N 3.14Å; N748-C760 VanDerWaalsContact O-O 3.08Å; N748-C760 PolarHBondContact O-SG 3.46Å; V750-C760 HydrophobicContact CG2-CB 4.41Å
761	D	91.5	Very high	90.8	Very high	16 Å²	16	32 Å²	32	9%	0.086	17%	0.174	C	C	.	.			trans	67.2	71.1	179.4	-150	-31.9	0	0	0	114.8	K615 E632 H741 N748 G763	K615-D761 VanDerWaalsContact NZ-CG 3.3Å; K615-D761 IonicContact NZ-OD1 3.66Å; K615-D761 PolarHBondContact NZ-OD1 2.85Å; K615-D761 IonicContact NZ-OD2 3.8Å; K615-D761 PolarHBondContact NZ-OD2 3.38Å; E632-D761 WeakPolarHBondContact OE1-CA 3.46Å; H741-D761 PolarHBondContact CE1-O 3.38Å; N748-D761 HydrophobicContact CB-CB 4.32Å; D761-G763 VanDerWaalsContact C-N 3.27Å; D761-G763 PolarHBondContact O-N 2.98Å
762	F	92.4	Very high	89.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.			trans	-89.1	18.4	-179.2	-48.5	-76.4	0	0	0	113.3	E632 V635 L636 I645 I646 F734 H741 L759 Y764 A765	E632-F762 HydrophobicContact CG-CB 4.29Å; E632-F762 HydrophobicContact CG-CD2 4.21Å; V635-F762 HydrophobicContact CB-CB 4.08Å; V635-F762 HydrophobicContact CG1-CB 3.99Å; V635-F762 HydrophobicContact CG1-CD1 4.42Å; V635-F762 HydrophobicContact CG1-CG 4.15Å; L636-F762 HydrophobicContact CD1-CD2 3.88Å; L636-F762 HydrophobicContact CD1-CE2 4.06Å; L636-F762 HydrophobicContact CD2-CD2 3.72Å; L636-F762 HydrophobicContact CD2-CE2 3.33Å; L636-F762 HydrophobicContact CD2-CZ 4.23Å; L636-F762 HydrophobicContact CG-CD2 3.5Å; L636-F762 HydrophobicContact CG-CE2 3.69Å; I645-F762 HydrophobicContact CG2-CE2 4.34Å; I645-F762 HydrophobicContact CG2-CZ 3.82Å; I646-F762 HydrophobicContact CG2-CE2 4Å; F734-F762 AromaticContact CE1-CD1 3.86Å; F734-F762 HydrophobicContact CE1-CD1 3.86Å; F734-F762 HydrophobicContact CE1-CE1 4.02Å; F734-F762 AromaticContact CE2-CE1 3.97Å; F734-F762 HydrophobicContact CE2-CE1 3.97Å; F734-F762 AromaticContact CZ-CD1 3.44Å; F734-F762 HydrophobicContact CZ-CD1 3.44Å; F734-F762 VanDerWaalsContact CZ-CD1 3.44Å; F734-F762 AromaticContact CZ-CE1 3.26Å; F734-F762 HydrophobicContact CZ-CE1 3.26Å; F734-F762 HydrophobicContact CZ-CZ 4.27Å; H741-F762 AromaticContact CD2-CD1 3.68Å; H741-F762 AromaticContact CD2-CE1 3.65Å; H741-F762 AromaticContact NE2-CD1 3.8Å; H741-F762 AromaticContact NE2-CE1 3.8Å; L759-F762 HydrophobicContact CD2-CE1 4.36Å; L759-F762 HydrophobicContact CG-CE1 4.15Å; L759-F762 HydrophobicContact CG-CZ 4.48Å; L759-F762 WeakPolarHBondContact O-CZ 3.43Å; F762-Y764 PolarHBondContact O-N 2.99Å; F762-Y764 VanDerWaalsContact O-N 3.07Å; F762-A765 HydrophobicContact CB-CB 3.96Å; F762-A765 WeakPolarHBondContact O-CB 3.15Å; F762-A765 PolarHBondContact O-N 2.86Å
763	G	88	Confident	88.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.4	-175	0	0	0	0	0	114.5	N628 D761	N628-G763 VanDerWaalsContact O-CA 3.26Å; N628-G763 WeakPolarHBondContact O-CA 3.29Å; N628-G763 PolarHBondContact OD1-O 3.17Å; D761-G763 VanDerWaalsContact C-N 3.27Å; D761-G763 PolarHBondContact O-N 2.98Å
764	Y	87.9	Confident	87.6	Confident	6 Å²	6	32.7 Å²	32.7	2%	0.024	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-1.4	175.7	-64.5	-69.1	0	0	0	114.3	Y589 R624 N628 R742 D743 F762 M778	Y589-Y764 AromaticContact CE1-CE2 3.74Å; Y589-Y764 HydrophobicContact CE1-CE2 3.74Å; Y589-Y764 WeakPolarHBondContact CE1-OH 3.45Å; R624-Y764 PolarHBondContact NH2-OH 2.97Å; R624-Y764 VanDerWaalsContact NH2-OH 3.13Å; N628-Y764 WeakPolarHBondContact ND2-CE1 3.31Å; N628-Y764 PolarHBondContact ND2-OH 3.24Å; R742-Y764 WeakPolarHBondContact CD-O 3.06Å; R742-Y764 PolarHBondContact NH1-O 3.1Å; D743-Y764 HydrophobicContact CB-CD2 4.25Å; F762-Y764 PolarHBondContact O-N 2.99Å; F762-Y764 VanDerWaalsContact O-N 3.07Å; Y764-M778 HydrophobicContact CD1-CE 3.7Å; Y764-M778 HydrophobicContact CD1-SD 3.26Å; Y764-M778 WeakPolarHBondContact CD1-SD 3.48Å; Y764-M778 HydrophobicContact CE1-CE 3.84Å; Y764-M778 HydrophobicContact CE1-SD 3.5Å; Y764-M778 WeakPolarHBondContact CE1-SD 3.22Å; Y764-M778 HydrophobicContact CG-CE 4.09Å; Y764-M778 HydrophobicContact CG-SD 4.14Å
765	A	91.5	Very high	86.1	Confident	3 Å²	3	30.1 Å²	30.1	3%	0.025	16%	0.162	C	C	.	.			trans	-65.9	148.1	-176.3	0	0	0	0	0	111.3	V635 F740 F762 M776	V635-A765 HydrophobicContact CG2-CB 4.17Å; F740-A765 CarbonylContact O-C 3.59Å; F740-A765 WeakPolarHBondContact O-CA 3.32Å; F740-A765 WeakPolarHBondContact O-CB 3.38Å; F762-A765 HydrophobicContact CB-CB 3.96Å; F762-A765 WeakPolarHBondContact O-CB 3.15Å; F762-A765 PolarHBondContact O-N 2.86Å; A765-M776 VanDerWaalsContact O-CE 3.28Å; A765-M776 WeakPolarHBondContact O-CE 3.4Å
766	C	88.5	Confident	84.4	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.5	177.3	68.9	0	0	0	0	112.7	F740 R742 E770 M776	F740-C766 PolarHBondContact N-O 3.47Å; F740-C766 PolarHBondContact O-N 3.06Å; R742-C766 WeakPolarHBondContact CD-SG 3.22Å; C766-E770 WeakPolarHBondContact CA-OE2 3.47Å; C766-E770 HydrophobicContact CB-CB 4Å; C766-E770 VanDerWaalsContact CB-OE2 3.28Å; C766-E770 WeakPolarHBondContact CB-OE2 3.43Å; C766-M776 HydrophobicContact CB-CE 3.66Å; C766-M776 HydrophobicContact CB-CG 4.38Å
767	T	89.1	Confident	82.5	Confident	45 Å²	45	28.7 Å²	28.7	28%	0.276	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	164.5	169.9	69.9	0	0	0	0	111.8	S738 L739 E769 E770 S771	S738-T767 CarbonylContact O-C 3.3Å; S738-T767 WeakPolarHBondContact O-CA 3.42Å; L739-T767 HydrophobicContact CD2-CG2 3.7Å; T767-E769 VanDerWaalsContact C-N 3.27Å; T767-E769 PolarHBondContact O-N 2.83Å; T767-E769 PolarHBondContact OG1-N 3.35Å; T767-E770 PolarHBondContact N-OE2 3.27Å; T767-E770 PolarHBondContact O-N 3.34Å; T767-E770 WeakPolarHBondContact OG1-CB 3.36Å; T767-E770 WeakPolarHBondContact OG1-CG 3.18Å; T767-E770 PolarHBondContact OG1-N 3.06Å; T767-E770 VanDerWaalsContact OG1-N 3.14Å; T767-S771 PolarHBondContact O-N 3.29Å
768	Q	88.3	Confident	80.6	Confident	62 Å²	62	29.6 Å²	29.6	29%	0.29	16%	0.158	S	C	.	.	H	α-helix	trans	-57	-38.5	169.7	-176.7	67	80.7	0	0	113	S738 F740 S771 N772	S738-Q768 PolarHBondContact O-N 3.46Å; F740-Q768 HydrophobicContact CE2-CB 4.12Å; F740-Q768 HydrophobicContact CZ-CB 3.97Å; F740-Q768 HydrophobicContact CZ-CG 4.44Å; F740-Q768 VanDerWaalsContact CZ-OE1 3.24Å; Q768-S771 PolarHBondContact O-N 2.82Å; Q768-N772 PolarHBondContact NE2-OD1 3.07Å; Q768-N772 WeakPolarHBondContact O-CB 3.5Å; Q768-N772 PolarHBondContact O-N 3.23Å; Q768-N772 PolarHBondContact O-ND2 3.15Å
769	E	82.8	Confident	78.5	Confident	109 Å²	109	31.2 Å²	31.2	51%	0.509	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-45.5	177.3	-171.5	-169.8	161.2	0	0	111.1	R552 T767 N772 N773	R552-E769 IonicContact NH2-OE1 2.75Å; T767-E769 VanDerWaalsContact C-N 3.27Å; T767-E769 PolarHBondContact O-N 2.83Å; T767-E769 PolarHBondContact OG1-N 3.35Å; E769-N772 PolarHBondContact O-N 3.29Å; E769-N773 WeakPolarHBondContact O-CB 3.37Å; E769-N773 VanDerWaalsContact O-CG 3.29Å; E769-N773 PolarHBondContact O-N 2.75Å; E769-N773 PolarHBondContact O-ND2 2.77Å; E769-N773 VanDerWaalsContact O-ND2 3.15Å
770	E	81.7	Confident	76.6	Confident	17 Å²	17	39.8 Å²	39.8	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-44.3	176.9	-80	176.6	161	0	0	112.1	K634 C766 T767 N773 Y775	K634-E770 IonicContact NZ-OE1 3.58Å; C766-E770 WeakPolarHBondContact CA-OE2 3.47Å; C766-E770 HydrophobicContact CB-CB 4Å; C766-E770 VanDerWaalsContact CB-OE2 3.28Å; C766-E770 WeakPolarHBondContact CB-OE2 3.43Å; T767-E770 PolarHBondContact N-OE2 3.27Å; T767-E770 PolarHBondContact O-N 3.34Å; T767-E770 WeakPolarHBondContact OG1-CB 3.36Å; T767-E770 WeakPolarHBondContact OG1-CG 3.18Å; T767-E770 PolarHBondContact OG1-N 3.06Å; T767-E770 VanDerWaalsContact OG1-N 3.14Å; E770-N773 PolarHBondContact O-N 3.24Å; E770-Y775 HydrophobicContact CB-CD1 3.8Å; E770-Y775 HydrophobicContact CB-CE1 4.46Å; E770-Y775 HydrophobicContact CG-CD1 3.97Å; E770-Y775 HydrophobicContact CG-CE1 4.23Å; E770-Y775 WeakPolarHBondContact O-CB 3.4Å; E770-Y775 PolarHBondContact O-N 3.39Å
771	S	82.5	Confident	74.9	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-46.6	174.8	-178.8	0	0	0	0	111.9	T767 Q768 N773 G774 Y799	T767-S771 PolarHBondContact O-N 3.29Å; Q768-S771 PolarHBondContact O-N 2.82Å; S771-N773 VanDerWaalsContact C-N 3.27Å; S771-N773 PolarHBondContact O-N 3.41Å; S771-G774 PolarHBondContact O-N 3.13Å; S771-G774 VanDerWaalsContact O-N 3.08Å; S771-Y799 PolarHBondContact OG-N 3.12Å; S771-Y799 PolarHBondContact OG-O 3.33Å
772	N	78.3	Confident	73.7	Confident	95 Å²	95	49.7 Å²	49.7	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-33.1	179.9	-73	-13	0	0	0	112.9	Q768 E769 G774	Q768-N772 PolarHBondContact NE2-OD1 3.07Å; Q768-N772 WeakPolarHBondContact O-CB 3.5Å; Q768-N772 PolarHBondContact O-N 3.23Å; Q768-N772 PolarHBondContact O-ND2 3.15Å; E769-N772 PolarHBondContact O-N 3.29Å; N772-G774 PolarHBondContact O-N 3.01Å
773	N	68.7	Low	72.9	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.262	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	9.1	177	-68.9	-31.4	0	0	0	112.7	N549 E769 E770 S771 Y775	N549-N773 WeakPolarHBondContact CB-O 3.34Å; N549-N773 PolarHBondContact ND2-O 3.04Å; N549-N773 PolarHBondContact OD1-O 3.43Å; E769-N773 WeakPolarHBondContact O-CB 3.37Å; E769-N773 VanDerWaalsContact O-CG 3.29Å; E769-N773 PolarHBondContact O-N 2.75Å; E769-N773 PolarHBondContact O-ND2 2.77Å; E769-N773 VanDerWaalsContact O-ND2 3.15Å; E770-N773 PolarHBondContact O-N 3.24Å; S771-N773 VanDerWaalsContact C-N 3.27Å; S771-N773 PolarHBondContact O-N 3.41Å; N773-Y775 PolarHBondContact O-N 3.49Å; N773-Y775 VanDerWaalsContact O-N 3.1Å
774	G	63.1	Low	72.9	Confident	34 Å²	34	52 Å²	52	35%	0.351	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	22	176.6	0	0	0	0	0	114.2	S771 N772 M776	S771-G774 PolarHBondContact O-N 3.13Å; S771-G774 VanDerWaalsContact O-N 3.08Å; N772-G774 PolarHBondContact O-N 3.01Å; G774-M776 PolarHBondContact O-N 2.95Å
775	Y	56.6	Low	73	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.027	27%	0.267	C	S	.	.			trans	-57.9	-29.8	-176.1	169.6	-140.2	0	0	0	113.7	C553 R631 E770 N773	C553-Y775 HydrophobicContact CB-CD1 4.29Å; C553-Y775 HydrophobicContact CB-CD2 3.2Å; C553-Y775 HydrophobicContact CB-CE1 3.93Å; C553-Y775 HydrophobicContact CB-CE2 2.83Å; C553-Y775 HydrophobicContact CB-CG 3.93Å; C553-Y775 WeakPolarHBondContact CB-OH 3.5Å; C553-Y775 WeakPolarHBondContact SG-CD2 3.45Å; C553-Y775 VanDerWaalsContact SG-CE2 3.57Å; R631-Y775 VanDerWaalsContact CZ-CZ 3.43Å; R631-Y775 PolarHBondContact NE-OH 3.43Å; R631-Y775 PolarHBondContact NH2-OH 3.34Å; E770-Y775 HydrophobicContact CB-CD1 3.8Å; E770-Y775 HydrophobicContact CB-CE1 4.46Å; E770-Y775 HydrophobicContact CG-CD1 3.97Å; E770-Y775 HydrophobicContact CG-CE1 4.23Å; E770-Y775 WeakPolarHBondContact O-CB 3.4Å; E770-Y775 PolarHBondContact O-N 3.39Å; N773-Y775 PolarHBondContact O-N 3.49Å; N773-Y775 VanDerWaalsContact O-N 3.1Å
776	M	56.8	Low	73.1	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.079	28%	0.275	C	S	.	.			trans	-117.3	59.1	-160.9	-64.9	-78.5	-143.7	0	0	112.5	R631 R742 A765 C766 G774 M778	R631-M776 PolarHBondContact NH1-SD 2.94Å; R631-M776 VanDerWaalsContact NH1-SD 3.41Å; R742-M776 VanDerWaalsContact NH1-CB 3.29Å; R742-M776 PolarHBondContact NH1-SD 3.01Å; R742-M776 VanDerWaalsContact NH1-SD 3.36Å; A765-M776 VanDerWaalsContact O-CE 3.28Å; A765-M776 WeakPolarHBondContact O-CE 3.4Å; C766-M776 HydrophobicContact CB-CE 3.66Å; C766-M776 HydrophobicContact CB-CG 4.38Å; G774-M776 PolarHBondContact O-N 2.95Å; M776-M778 VanDerWaalsContact C-N 3.34Å; M776-M778 PolarHBondContact O-N 2.96Å
777	E	56	Low	73.5	Confident	96 Å²	96	57 Å²	57	45%	0.449	28%	0.281	S	S	.	.			trans	-60.5	104.4	153.2	-76.3	-155.8	118.3	0	0	108.3	N547 K797	N547-E777 PolarHBondContact ND2-OE2 3.32Å; E777-K797 VanDerWaalsContact CD-NZ 3.34Å; E777-K797 HydrophobicContact CG-CD 3.99Å; E777-K797 VanDerWaalsContact CG-NZ 3.32Å; E777-K797 IonicContact OE1-NZ 2.81Å; E777-K797 PolarHBondContact OE1-NZ 3.38Å
778	M	56.5	Low	73.7	Confident	18 Å²	18	55.2 Å²	55.2	9%	0.089	27%	0.27	C	S	.	.			trans	-72.3	128	165.3	-62	-87.7	-91.1	0	0	107.5	R742 Y764 M776 K780 L783	R742-M778 VanDerWaalsContact NH2-CG 3.32Å; Y764-M778 HydrophobicContact CD1-CE 3.7Å; Y764-M778 HydrophobicContact CD1-SD 3.26Å; Y764-M778 WeakPolarHBondContact CD1-SD 3.48Å; Y764-M778 HydrophobicContact CE1-CE 3.84Å; Y764-M778 HydrophobicContact CE1-SD 3.5Å; Y764-M778 WeakPolarHBondContact CE1-SD 3.22Å; Y764-M778 HydrophobicContact CG-CE 4.09Å; Y764-M778 HydrophobicContact CG-SD 4.14Å; M776-M778 VanDerWaalsContact C-N 3.34Å; M776-M778 PolarHBondContact O-N 2.96Å; M778-K780 PolarHBondContact O-N 2.91Å; M778-L783 HydrophobicContact CB-CD2 3.23Å; M778-L783 HydrophobicContact CB-CG 4.21Å; M778-L783 HydrophobicContact CE-CD2 3.9Å; M778-L783 HydrophobicContact CG-CD2 3.7Å
779	D	54.5	Low	73.9	Confident	58 Å²	58	52.2 Å²	52.2	31%	0.31	26%	0.256	S	S	.	.			trans	-54.2	126.6	165.9	-61.1	-48.8	0	0	0	108.8	R624 E781 Y782	R624-D779 VanDerWaalsContact CD-OD2 3.23Å; R624-D779 WeakPolarHBondContact CD-OD2 3.29Å; R624-D779 IonicContact CZ-OD2 3.07Å; R624-D779 IonicContact NE-OD2 2.73Å; R624-D779 VanDerWaalsContact NH1-CB 3.31Å; R624-D779 VanDerWaalsContact NH1-CG 3.31Å; R624-D779 IonicContact NH1-OD2 2.9Å; R624-D779 PolarHBondContact NH1-OD2 2.93Å; D779-E781 PolarHBondContact O-N 3.35Å; D779-Y782 HydrophobicContact CB-CD2 3.93Å; D779-Y782 HydrophobicContact CB-CE2 4.44Å; D779-Y782 PolarHBondContact O-N 3.23Å
780	K	60.2	Low	74.2	Confident	180 Å²	180	47.2 Å²	47.2	78%	0.783	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-52.3	-32.3	-174.2	-70.5	-177.3	178.2	179	0	112.9	M778 Y782 L783	M778-K780 PolarHBondContact O-N 2.91Å; K780-Y782 VanDerWaalsContact C-N 3.25Å; K780-Y782 PolarHBondContact O-N 2.97Å; K780-L783 PolarHBondContact O-N 3.02Å
781	E	58.4	Low	74.5	Confident	170 Å²	170	48.1 Å²	48.1	79%	0.794	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-65.7	-20.2	-178.2	-67.5	178.7	-179.9	0	0	114.6	D779	D779-E781 PolarHBondContact O-N 3.35Å
782	Y	65	Low	74.7	Confident	71 Å²	71	48.2 Å²	48.2	28%	0.278	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-114.5	11.5	-175.4	-61.6	-93	0	0	0	113.3	R622 R624 D779 K780 A784	R622-Y782 VanDerWaalsContact CZ-OH 3.25Å; R622-Y782 PolarHBondContact NH1-OH 2.91Å; R622-Y782 PolarHBondContact NH2-OH 2.81Å; R622-Y782 VanDerWaalsContact NH2-OH 3.13Å; R624-Y782 VanDerWaalsContact NH2-CD2 3.27Å; D779-Y782 HydrophobicContact CB-CD2 3.93Å; D779-Y782 HydrophobicContact CB-CE2 4.44Å; D779-Y782 PolarHBondContact O-N 3.23Å; K780-Y782 VanDerWaalsContact C-N 3.25Å; K780-Y782 PolarHBondContact O-N 2.97Å; Y782-A784 PolarHBondContact O-N 3.47Å
783	L	76.2	Confident	74.8	Confident	36 Å²	36	46 Å²	46	19%	0.188	23%	0.226	C	C	.	.			trans	-69.7	129.1	178.2	-70	178.4	0	0	0	110.3	M778 K780 V785 M788 L793	M778-L783 HydrophobicContact CB-CD2 3.23Å; M778-L783 HydrophobicContact CB-CG 4.21Å; M778-L783 HydrophobicContact CE-CD2 3.9Å; M778-L783 HydrophobicContact CG-CD2 3.7Å; K780-L783 PolarHBondContact O-N 3.02Å; L783-V785 HydrophobicContact CB-CG2 3.7Å; L783-V785 PolarHBondContact O-N 2.95Å; L783-M788 HydrophobicContact CB-SD 3.96Å; L783-M788 HydrophobicContact CD2-CE 3.79Å; L783-M788 HydrophobicContact CD2-SD 3.69Å; L783-M788 HydrophobicContact CG-SD 4.33Å; L783-L793 HydrophobicContact CD1-CD2 4.18Å
784	A	87.4	Confident	74.9	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	23%	0.233	C	C	.	.			trans	-76.8	59.4	167.8	0	0	0	0	0	110.2	D743 Y782 R786 W787 M788	D743-A784 WeakPolarHBondContact OD1-CB 3.34Å; Y782-A784 PolarHBondContact O-N 3.47Å; A784-R786 PolarHBondContact O-N 2.79Å; A784-W787 HydrophobicContact CB-CE3 3.96Å; A784-W787 PolarHBondContact O-N 3.43Å; A784-M788 WeakPolarHBondContact O-CG 3.22Å; A784-M788 PolarHBondContact O-N 3.48Å
785	V	90.1	Very high	74.7	Confident	25 Å²	25	51.7 Å²	51.7	15%	0.152	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-37.6	-166.2	-173.4	0	0	0	0	113.2	L783 W787 M788 L793 L831	L783-V785 HydrophobicContact CB-CG2 3.7Å; L783-V785 PolarHBondContact O-N 2.95Å; V785-W787 VanDerWaalsContact C-N 3.27Å; V785-W787 PolarHBondContact O-N 2.93Å; V785-M788 PolarHBondContact O-N 2.77Å; V785-L793 HydrophobicContact CG1-CD1 3.78Å; V785-L793 HydrophobicContact CG1-CD2 4.19Å; V785-L831 HydrophobicContact CG1-CD2 4.19Å
786	R	94.7	Very high	74.8	Confident	52 Å²	52	56.1 Å²	56.1	20%	0.196	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.1	-179.3	-61.9	-176.3	179.6	-134.6	-1.1	115	A784 P822 Y823 L826 N828 L831	A784-R786 PolarHBondContact O-N 2.79Å; R786-P822 HydrophobicContact CB-CB 4.43Å; R786-P822 WeakPolarHBondContact CD-O 3.44Å; R786-P822 PolarHBondContact NH1-O 3.06Å; R786-Y823 HydrophobicContact CB-CD2 4.1Å; R786-Y823 HydrophobicContact CB-CE2 4.33Å; R786-Y823 HydrophobicContact CG-CD2 4.25Å; R786-Y823 PolarHBondContact NH1-O 3.17Å; R786-Y823 VanDerWaalsContact O-CE2 3.27Å; R786-Y823 WeakPolarHBondContact O-CE2 3.48Å; R786-L826 PolarHBondContact NH2-O 3.41Å; R786-N828 PolarHBondContact NE-OD1 2.94Å; R786-L831 HydrophobicContact CB-CD2 4.41Å; R786-L831 HydrophobicContact CG-CD2 4.01Å
787	W	96	Very high	75.1	Confident	37 Å²	37	58.6 Å²	58.6	14%	0.14	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-19.4	177.7	-68.5	-98.1	0	0	0	112	A745 A784 V785 W806 S807 I810 E814 P822	A745-W787 VanDerWaalsContact CB-CD1 3.48Å; A745-W787 HydrophobicContact CB-CD2 4.4Å; A745-W787 HydrophobicContact CB-CG 4.09Å; A784-W787 HydrophobicContact CB-CE3 3.96Å; A784-W787 PolarHBondContact O-N 3.43Å; V785-W787 VanDerWaalsContact C-N 3.27Å; V785-W787 PolarHBondContact O-N 2.93Å; W787-W806 VanDerWaalsContact O-CD1 3.26Å; W787-S807 WeakPolarHBondContact O-CA 3.35Å; W787-S807 WeakPolarHBondContact O-CB 3.39Å; W787-S807 PolarHBondContact O-OG 3.41Å; W787-I810 VanDerWaalsContact CD1-CG2 3.41Å; W787-I810 HydrophobicContact CG-CG2 4.05Å; W787-E814 VanDerWaalsContact NE1-CD 3.27Å; W787-E814 PolarHBondContact NE1-OE1 3.37Å; W787-E814 PolarHBondContact NE1-OE2 3.45Å; W787-P822 HydrophobicContact CZ2-CG 4.03Å
788	M	93.2	Very high	76.1	Confident	8 Å²	8	62 Å²	62	4%	0.039	30%	0.303	C	S	.	.	S	Bend	trans	-77.9	144.6	-174.4	-66.8	174.4	67.3	0	0	112.2	L783 A784 V785 C792 L793 Y799 W806	L783-M788 HydrophobicContact CB-SD 3.96Å; L783-M788 HydrophobicContact CD2-CE 3.79Å; L783-M788 HydrophobicContact CD2-SD 3.69Å; L783-M788 HydrophobicContact CG-SD 4.33Å; A784-M788 WeakPolarHBondContact O-CG 3.22Å; A784-M788 PolarHBondContact O-N 3.48Å; V785-M788 PolarHBondContact O-N 2.77Å; M788-C792 HydrophobicContact CB-CB 4.31Å; M788-C792 HydrophobicContact CE-CB 3.55Å; M788-L793 HydrophobicContact CB-CD2 4.33Å; M788-L793 HydrophobicContact CB-CG 4.42Å; M788-L793 HydrophobicContact CE-CD2 3.74Å; M788-L793 HydrophobicContact CE-CG 4.46Å; M788-L793 HydrophobicContact SD-CD2 3.89Å; M788-Y799 HydrophobicContact CE-CE1 4.41Å; M788-Y799 WeakPolarHBondContact CE-OH 3.32Å; M788-W806 PolarHBondContact O-NE1 2.75Å; M788-W806 VanDerWaalsContact O-NE1 3.13Å
789	A	92.8	Very high	77.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.			trans	-65.5	147.3	170.6	0	0	0	0	0	111	E791 C792 C803 W806	A789-E791 HydrophobicContact CB-CG 4.49Å; A789-E791 WeakPolarHBondContact CB-OE1 3.32Å; A789-E791 VanDerWaalsContact CB-OE2 3.29Å; A789-E791 WeakPolarHBondContact CB-OE2 3.21Å; A789-E791 PolarHBondContact O-N 3.23Å; A789-C792 VanDerWaalsContact O-CB 3.25Å; A789-C792 WeakPolarHBondContact O-CB 3.16Å; A789-C792 PolarHBondContact O-N 2.73Å; A789-C803 HydrophobicContact CB-CB 4.43Å; A789-W806 HydrophobicContact CB-CB 3.65Å; A789-W806 HydrophobicContact CB-CD2 4.08Å; A789-W806 HydrophobicContact CB-CE3 4.5Å; A789-W806 HydrophobicContact CB-CG 3.68Å
790	P	90.2	Very high	79.3	Confident	4 Å²	4	61 Å²	61	3%	0.026	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.1	-178.8	-26.5	34.5	0	0	0	113	C792 L793 W806 L835	P790-C792 VanDerWaalsContact C-N 3.26Å; P790-C792 PolarHBondContact O-N 3.23Å; P790-L793 WeakPolarHBondContact O-CB 3.1Å; P790-L793 PolarHBondContact O-N 3.1Å; P790-W806 HydrophobicContact CG-CE3 4.49Å; P790-W806 HydrophobicContact CG-CH2 3.6Å; P790-W806 HydrophobicContact CG-CZ2 4Å; P790-W806 HydrophobicContact CG-CZ3 3.87Å; P790-L835 HydrophobicContact CG-CD1 4.33Å
791	E	87.8	Confident	81	Confident	36 Å²	36	53.4 Å²	53.4	17%	0.168	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-65.5	-26.9	179.1	70.5	-80.3	-174.6	0	0	113.3	A789 L793 T794 C803 P863 R866	A789-E791 HydrophobicContact CB-CG 4.49Å; A789-E791 WeakPolarHBondContact CB-OE1 3.32Å; A789-E791 VanDerWaalsContact CB-OE2 3.29Å; A789-E791 WeakPolarHBondContact CB-OE2 3.21Å; A789-E791 PolarHBondContact O-N 3.23Å; E791-L793 PolarHBondContact O-N 3.44Å; E791-T794 PolarHBondContact O-N 3.41Å; E791-T794 PolarHBondContact O-OG1 3.48Å; E791-C803 PolarHBondContact OE1-SG 3.24Å; E791-P863 HydrophobicContact CG-CG 4.26Å; E791-R866 IonicContact OE1-CZ 3.25Å; E791-R866 IonicContact OE1-NH1 3.95Å; E791-R866 PolarHBondContact OE1-NH1 3.18Å; E791-R866 IonicContact OE1-NH2 2.71Å; E791-R866 PolarHBondContact OE1-NH2 3.02Å; E791-R866 IonicContact OE2-CZ 3.95Å; E791-R866 IonicContact OE2-NH1 2.73Å; E791-R866 IonicContact OE2-NH2 2.76Å; E791-R866 PolarHBondContact OE2-NH2 3.28Å
792	C	85.8	Confident	82.9	Confident	8 Å²	8	46.8 Å²	46.8	5%	0.054	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-68	-21.1	174.5	-62.7	0	0	0	0	112.8	M788 A789 P790 Y799 C803	M788-C792 HydrophobicContact CB-CB 4.31Å; M788-C792 HydrophobicContact CE-CB 3.55Å; A789-C792 VanDerWaalsContact O-CB 3.25Å; A789-C792 WeakPolarHBondContact O-CB 3.16Å; A789-C792 PolarHBondContact O-N 2.73Å; P790-C792 VanDerWaalsContact C-N 3.26Å; P790-C792 PolarHBondContact O-N 3.23Å; C792-Y799 HydrophobicContact CB-CD1 4.48Å; C792-Y799 HydrophobicContact CB-CE1 3.75Å; C792-Y799 WeakPolarHBondContact SG-CE1 3.3Å; C792-C803 WeakPolarHBondContact SG-CB 3.46Å; C792-C803 PolarHBondContact SG-SG 3.03Å
793	L	80.2	Confident	84.3	Confident	48 Å²	48	43.6 Å²	43.6	25%	0.251	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-93.1	-6.4	180	-57.9	171.8	0	0	0	112.1	L783 V785 M788 P790 E791 V832	L783-L793 HydrophobicContact CD1-CD2 4.18Å; V785-L793 HydrophobicContact CG1-CD1 3.78Å; V785-L793 HydrophobicContact CG1-CD2 4.19Å; M788-L793 HydrophobicContact CB-CD2 4.33Å; M788-L793 HydrophobicContact CB-CG 4.42Å; M788-L793 HydrophobicContact CE-CD2 3.74Å; M788-L793 HydrophobicContact CE-CG 4.46Å; M788-L793 HydrophobicContact SD-CD2 3.89Å; P790-L793 WeakPolarHBondContact O-CB 3.1Å; P790-L793 PolarHBondContact O-N 3.1Å; E791-L793 PolarHBondContact O-N 3.44Å; L793-V832 HydrophobicContact CB-CG2 4.45Å; L793-V832 HydrophobicContact CD1-CG2 3.55Å
794	T	71.4	Confident	85.3	Confident	66 Å²	66	42 Å²	42	41%	0.405	22%	0.217	S	C	.	.	S	Bend	trans	-85.9	167.6	178.2	70.7	0	0	0	0	112.8	E791 T796 K797	E791-T794 PolarHBondContact O-N 3.41Å; E791-T794 PolarHBondContact O-OG1 3.48Å; T794-T796 PolarHBondContact O-N 3.05Å; T794-T796 PolarHBondContact OG1-OG1 3.26Å; T794-K797 PolarHBondContact O-N 2.95Å
795	T	58.8	Low	85.9	Confident	137 Å²	137	41.4 Å²	41.4	84%	0.84	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.5	-176.3	-47.4	0	0	0	0	114	K797	T795-K797 VanDerWaalsContact C-N 3.29Å; T795-K797 PolarHBondContact O-N 2.91Å
796	T	58.4	Low	86.3	Confident	100 Å²	100	40.2 Å²	40.2	61%	0.613	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.2	-174.4	56.7	0	0	0	0	113.4	T794 R798	T794-T796 PolarHBondContact O-N 3.05Å; T794-T796 PolarHBondContact OG1-OG1 3.26Å; T796-R798 PolarHBondContact O-N 2.77Å
797	K	64.1	Low	86.4	Confident	68 Å²	68	38 Å²	38	30%	0.296	20%	0.197	S	C	.	.			trans	45.4	23.3	173.3	-63.5	-174.1	-178.2	-177.3	0	116.3	E777 T794 T795 Y799	E777-K797 VanDerWaalsContact CD-NZ 3.34Å; E777-K797 HydrophobicContact CG-CD 3.99Å; E777-K797 VanDerWaalsContact CG-NZ 3.32Å; E777-K797 IonicContact OE1-NZ 2.81Å; E777-K797 PolarHBondContact OE1-NZ 3.38Å; T794-K797 PolarHBondContact O-N 2.95Å; T795-K797 VanDerWaalsContact C-N 3.29Å; T795-K797 PolarHBondContact O-N 2.91Å; K797-Y799 WeakPolarHBondContact O-CD2 3.47Å
798	R	75.4	Confident	86.6	Confident	167 Å²	167	36.2 Å²	36.2	63%	0.63	19%	0.19	S	C	*	.			trans	-83.2	119.5	176.1	-72.6	-176.6	-177.7	147.9	0.9	109.5	T796	T796-R798 PolarHBondContact O-N 2.77Å
799	Y	87	Confident	86.8	Confident	9 Å²	9	35.8 Å²	35.8	4%	0.035	19%	0.188	C	C	.	.			trans	-94.2	141.1	172.4	-70.9	-97.1	0	0	0	110.1	F740 R742 S771 M788 C792 K797 C803	F740-Y799 WeakPolarHBondContact CE2-O 3.45Å; R742-Y799 HydrophobicContact CB-CD1 4.31Å; R742-Y799 HydrophobicContact CB-CE1 4.32Å; R742-Y799 HydrophobicContact CG-CD1 3.62Å; R742-Y799 HydrophobicContact CG-CE1 4.1Å; R742-Y799 HydrophobicContact CG-CG 4.12Å; R742-Y799 VanDerWaalsContact NE-CD1 3.29Å; R742-Y799 VanDerWaalsContact NE-CE1 3.32Å; R742-Y799 VanDerWaalsContact NH2-CZ 3.29Å; R742-Y799 PolarHBondContact NH2-OH 2.8Å; S771-Y799 PolarHBondContact OG-N 3.12Å; S771-Y799 PolarHBondContact OG-O 3.33Å; M788-Y799 HydrophobicContact CE-CE1 4.41Å; M788-Y799 WeakPolarHBondContact CE-OH 3.32Å; C792-Y799 HydrophobicContact CB-CD1 4.48Å; C792-Y799 HydrophobicContact CB-CE1 3.75Å; C792-Y799 WeakPolarHBondContact SG-CE1 3.3Å; K797-Y799 WeakPolarHBondContact O-CD2 3.47Å; Y799-C803 HydrophobicContact CD1-CB 4.32Å
800	T	92.7	Very high	87.1	Confident	47 Å²	47	35.8 Å²	35.8	29%	0.288	19%	0.188	S	C	.	.			trans	-137.1	172	174.4	66.9	0	0	0	0	109.2	K802 C803	T800-K802 PolarHBondContact O-N 3.05Å; T800-K802 VanDerWaalsContact O-N 3.16Å; T800-K802 PolarHBondContact OG1-N 2.98Å; T800-C803 PolarHBondContact N-SG 3.39Å; T800-C803 VanDerWaalsContact O-CB 3.27Å; T800-C803 WeakPolarHBondContact O-CB 3.46Å; T800-C803 PolarHBondContact O-N 2.89Å
801	S	95.9	Very high	87.5	Confident	20 Å²	20	35.6 Å²	35.6	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-28.1	175	64.4	0	0	0	0	112.4	E735 C803 D804 V805	E735-S801 WeakPolarHBondContact OE1-CB 3.42Å; E735-S801 PolarHBondContact OE1-OG 3.33Å; S801-C803 PolarHBondContact O-N 3.34Å; S801-D804 WeakPolarHBondContact O-CA 3.29Å; S801-D804 WeakPolarHBondContact O-CB 3.28Å; S801-D804 PolarHBondContact O-N 2.87Å; S801-V805 PolarHBondContact O-N 3.24Å
802	K	97	Very high	88	Confident	31 Å²	31	34 Å²	34	14%	0.135	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-22.5	176.7	-59.2	-52.4	-166.3	84.7	0	113.3	T800 V805 W806 P863 D864 R866	T800-K802 PolarHBondContact O-N 3.05Å; T800-K802 VanDerWaalsContact O-N 3.16Å; T800-K802 PolarHBondContact OG1-N 2.98Å; K802-V805 HydrophobicContact CD-CG2 4.31Å; K802-V805 PolarHBondContact O-N 3.22Å; K802-W806 PolarHBondContact O-N 2.98Å; K802-P863 HydrophobicContact CB-CB 3.84Å; K802-P863 HydrophobicContact CG-CB 4.28Å; K802-P863 WeakPolarHBondContact CG-O 3.49Å; K802-P863 PolarHBondContact NZ-O 2.95Å; K802-D864 PolarHBondContact NZ-O 3.39Å; K802-R866 HydrophobicContact CD-CB 4.3Å; K802-R866 PolarHBondContact NZ-O 3.38Å; K802-R866 PolarHBondContact O-NH1 2.66Å
803	C	95.3	Very high	88.6	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-70.5	-38.4	171.4	-55.9	0	0	0	0	111.3	A789 E791 C792 Y799 T800 S801 V805 W806 S807	A789-C803 HydrophobicContact CB-CB 4.43Å; E791-C803 PolarHBondContact OE1-SG 3.24Å; C792-C803 WeakPolarHBondContact SG-CB 3.46Å; C792-C803 PolarHBondContact SG-SG 3.03Å; Y799-C803 HydrophobicContact CD1-CB 4.32Å; T800-C803 PolarHBondContact N-SG 3.39Å; T800-C803 VanDerWaalsContact O-CB 3.27Å; T800-C803 WeakPolarHBondContact O-CB 3.46Å; T800-C803 PolarHBondContact O-N 2.89Å; S801-C803 PolarHBondContact O-N 3.34Å; C803-V805 VanDerWaalsContact C-N 3.34Å; C803-W806 PolarHBondContact O-N 2.83Å; C803-S807 PolarHBondContact O-N 3.12Å; C803-S807 PolarHBondContact O-OG 3.36Å
804	D	97.7	Very high	89.4	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-32.3	172.6	-71.8	-25.3	0	0	0	111.2	F740 H741 R742 V744 S801 W806 S807 Y808 F869	F740-D804 VanDerWaalsContact CA-OD2 3.24Å; F740-D804 WeakPolarHBondContact CA-OD2 3.42Å; H741-D804 PolarHBondContact N-OD2 2.85Å; R742-D804 WeakPolarHBondContact CA-OD1 3.4Å; R742-D804 PolarHBondContact N-OD1 3.37Å; V744-D804 HydrophobicContact CG2-CB 4.35Å; S801-D804 WeakPolarHBondContact O-CA 3.29Å; S801-D804 WeakPolarHBondContact O-CB 3.28Å; S801-D804 PolarHBondContact O-N 2.87Å; D804-W806 PolarHBondContact O-N 3.44Å; D804-S807 CarbonylContact O-C 3.57Å; D804-S807 PolarHBondContact O-N 2.9Å; D804-Y808 VanDerWaalsContact O-CB 3.25Å; D804-Y808 WeakPolarHBondContact O-CB 3.24Å; D804-Y808 PolarHBondContact O-N 3.41Å; D804-F869 HydrophobicContact CB-CE2 4.15Å; D804-F869 HydrophobicContact CB-CZ 4.03Å
805	V	98.6	Very high	90.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-42.7	172.7	174.1	0	0	0	0	111.8	S801 K802 C803 Y808 G809 C858 R866 P867 F869 I872	S801-V805 PolarHBondContact O-N 3.24Å; K802-V805 HydrophobicContact CD-CG2 4.31Å; K802-V805 PolarHBondContact O-N 3.22Å; C803-V805 VanDerWaalsContact C-N 3.34Å; V805-Y808 WeakPolarHBondContact O-CB 3.38Å; V805-Y808 PolarHBondContact O-N 2.96Å; V805-G809 PolarHBondContact O-N 3.11Å; V805-C858 HydrophobicContact CG1-CB 4.02Å; V805-R866 HydrophobicContact CG1-CB 3.9Å; V805-P867 HydrophobicContact CG1-CG 4.45Å; V805-P867 WeakPolarHBondContact CG2-O 3.47Å; V805-F869 HydrophobicContact CB-CZ 4.42Å; V805-F869 HydrophobicContact CG2-CD2 4.12Å; V805-F869 HydrophobicContact CG2-CE1 4.29Å; V805-F869 HydrophobicContact CG2-CE2 3.65Å; V805-F869 HydrophobicContact CG2-CZ 3.74Å; V805-I872 HydrophobicContact CG1-CD1 3.96Å; V805-I872 HydrophobicContact CG2-CD1 4.32Å
806	W	98.3	Very high	92.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-49	173.8	176.4	-74.3	0	0	0	111.3	W787 M788 A789 P790 K802 C803 D804 Y808 G809 I810 L835 W859	W787-W806 VanDerWaalsContact O-CD1 3.26Å; M788-W806 PolarHBondContact O-NE1 2.75Å; M788-W806 VanDerWaalsContact O-NE1 3.13Å; A789-W806 HydrophobicContact CB-CB 3.65Å; A789-W806 HydrophobicContact CB-CD2 4.08Å; A789-W806 HydrophobicContact CB-CE3 4.5Å; A789-W806 HydrophobicContact CB-CG 3.68Å; P790-W806 HydrophobicContact CG-CE3 4.49Å; P790-W806 HydrophobicContact CG-CH2 3.6Å; P790-W806 HydrophobicContact CG-CZ2 4Å; P790-W806 HydrophobicContact CG-CZ3 3.87Å; K802-W806 PolarHBondContact O-N 2.98Å; C803-W806 PolarHBondContact O-N 2.83Å; D804-W806 PolarHBondContact O-N 3.44Å; W806-Y808 VanDerWaalsContact C-N 3.26Å; W806-Y808 PolarHBondContact O-N 3.09Å; W806-G809 WeakPolarHBondContact O-CA 3.39Å; W806-G809 PolarHBondContact O-N 3.19Å; W806-I810 PolarHBondContact O-N 3.3Å; W806-I810 VanDerWaalsContact O-N 3.09Å; W806-L835 HydrophobicContact CH2-CD1 4.33Å; W806-L835 HydrophobicContact CH2-CD2 4.21Å; W806-L835 HydrophobicContact CZ2-CD1 3.86Å; W806-L835 HydrophobicContact CZ2-CD2 4.09Å; W806-W859 AromaticContact CD2-CD1 3.92Å; W806-W859 HydrophobicContact CE3-CB 4.15Å; W806-W859 HydrophobicContact CH2-CB 4.23Å; W806-W859 HydrophobicContact CZ3-CB 3.95Å; W806-W859 VanDerWaalsContact CZ3-O 3.29Å; W806-W859 WeakPolarHBondContact CZ3-O 3.29Å; W806-W859 PolarHBondContact O-NE1 3.48Å
807	S	98.3	Very high	93.8	Very high	5 Å²	5	17 Å²	17	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-37.8	179.8	-51.5	0	0	0	0	111.2	W787 C803 D804 I810 L811	W787-S807 WeakPolarHBondContact O-CA 3.35Å; W787-S807 WeakPolarHBondContact O-CB 3.39Å; W787-S807 PolarHBondContact O-OG 3.41Å; C803-S807 PolarHBondContact O-N 3.12Å; C803-S807 PolarHBondContact O-OG 3.36Å; D804-S807 CarbonylContact O-C 3.57Å; D804-S807 PolarHBondContact O-N 2.9Å; S807-I810 WeakPolarHBondContact O-CB 3.32Å; S807-I810 PolarHBondContact O-N 3.25Å; S807-L811 PolarHBondContact O-N 2.8Å
808	Y	98.8	Very high	95.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.4	-40.1	172.4	-178.9	-93.9	0	0	0	112.4	A724 I727 A728 L731 D804 V805 W806 I810 L811 L812 F869 I872 I876	A724-Y808 VanDerWaalsContact C-OH 3.31Å; A724-Y808 PolarHBondContact O-OH 2.87Å; I727-Y808 HydrophobicContact CB-CE2 4.35Å; I727-Y808 HydrophobicContact CG2-CD2 4.35Å; I727-Y808 HydrophobicContact CG2-CE2 4.27Å; A728-Y808 HydrophobicContact CB-CE2 4.01Å; L731-Y808 HydrophobicContact CD1-CD2 3.63Å; L731-Y808 HydrophobicContact CD1-CE2 4.5Å; L731-Y808 HydrophobicContact CD1-CG 4.26Å; D804-Y808 VanDerWaalsContact O-CB 3.25Å; D804-Y808 WeakPolarHBondContact O-CB 3.24Å; D804-Y808 PolarHBondContact O-N 3.41Å; V805-Y808 WeakPolarHBondContact O-CB 3.38Å; V805-Y808 PolarHBondContact O-N 2.96Å; W806-Y808 VanDerWaalsContact C-N 3.26Å; W806-Y808 PolarHBondContact O-N 3.09Å; Y808-I810 PolarHBondContact O-N 3.22Å; Y808-L811 HydrophobicContact CD2-CD2 4.04Å; Y808-L811 HydrophobicContact CE2-CD2 4.21Å; Y808-L811 CarbonylContact O-C 3.45Å; Y808-L811 WeakPolarHBondContact O-CA 3.24Å; Y808-L811 WeakPolarHBondContact O-CB 3.22Å; Y808-L811 PolarHBondContact O-N 3.5Å; Y808-L811 VanDerWaalsContact O-N 3.09Å; Y808-L812 HydrophobicContact CD1-CD1 4.24Å; Y808-L812 HydrophobicContact CD1-CG 4.16Å; Y808-L812 HydrophobicContact CE1-CD1 3.73Å; Y808-L812 HydrophobicContact CE1-CD2 3.85Å; Y808-L812 HydrophobicContact CE1-CG 3.67Å; Y808-L812 PolarHBondContact O-N 2.75Å; Y808-F869 HydrophobicContact CD1-CE1 4.4Å; Y808-F869 HydrophobicContact CD2-CE1 4.2Å; Y808-F869 AromaticContact CG-CE1 3.91Å; Y808-F869 HydrophobicContact CG-CE1 3.91Å; Y808-I872 HydrophobicContact CD1-CD1 4.22Å; Y808-I872 HydrophobicContact CD1-CG2 4.15Å; Y808-I872 HydrophobicContact CE1-CG2 3.45Å; Y808-I872 VanDerWaalsContact CE1-CG2 3.45Å; Y808-I876 HydrophobicContact CE1-CD1 4.16Å; Y808-I876 WeakPolarHBondContact OH-CD1 3.49Å
809	G	98.6	Very high	95.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-57.6	-39.5	170.8	0	0	0	0	0	112.2	V805 W806 L812 W813 W859	V805-G809 PolarHBondContact O-N 3.11Å; W806-G809 WeakPolarHBondContact O-CA 3.39Å; W806-G809 PolarHBondContact O-N 3.19Å; G809-L812 WeakPolarHBondContact O-CB 3.33Å; G809-L812 PolarHBondContact O-N 3.23Å; G809-W813 PolarHBondContact O-N 3.48Å; G809-W813 VanDerWaalsContact O-N 3.09Å; G809-W859 WeakPolarHBondContact O-CZ2 3.3Å
810	I	98.5	Very high	95.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-67.3	-40.3	173.5	-57.5	-65.7	0	0	0	111.4	W787 W806 S807 Y808 L812 W813 E814 P822 Y823 W859	W787-I810 VanDerWaalsContact CD1-CG2 3.41Å; W787-I810 HydrophobicContact CG-CG2 4.05Å; W806-I810 PolarHBondContact O-N 3.3Å; W806-I810 VanDerWaalsContact O-N 3.09Å; S807-I810 WeakPolarHBondContact O-CB 3.32Å; S807-I810 PolarHBondContact O-N 3.25Å; Y808-I810 PolarHBondContact O-N 3.22Å; I810-L812 VanDerWaalsContact C-N 3.34Å; I810-L812 PolarHBondContact O-N 2.8Å; I810-W813 CarbonylContact O-C 3.49Å; I810-W813 WeakPolarHBondContact O-CA 3.46Å; I810-W813 WeakPolarHBondContact O-CB 3.49Å; I810-W813 PolarHBondContact O-N 3.4Å; I810-W813 VanDerWaalsContact O-N 3.09Å; I810-E814 WeakPolarHBondContact O-CG 3.18Å; I810-E814 PolarHBondContact O-N 3.32Å; I810-P822 HydrophobicContact CG2-CB 3.86Å; I810-P822 HydrophobicContact CG2-CG 3.3Å; I810-Y823 HydrophobicContact CD1-CE2 4.17Å; I810-Y823 VanDerWaalsContact CD1-OH 3.25Å; I810-Y823 WeakPolarHBondContact CD1-OH 2.78Å; I810-W859 HydrophobicContact CD1-CZ2 3.76Å; I810-W859 VanDerWaalsContact CD1-NE1 3.34Å
811	L	98.6	Very high	95.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59	-42.2	172.6	171.3	66.8	0	0	0	112	L670 I727 V744 A746 V749 S807 Y808 W813 E814 L815	L670-L811 HydrophobicContact CD2-CD1 4.37Å; I727-L811 HydrophobicContact CB-CD2 4.07Å; I727-L811 HydrophobicContact CG1-CD2 4.42Å; I727-L811 HydrophobicContact CG2-CD2 3.54Å; V744-L811 HydrophobicContact CG1-CB 4.37Å; V744-L811 HydrophobicContact CG1-CD2 4.01Å; A746-L811 HydrophobicContact CB-CD1 3.84Å; V749-L811 HydrophobicContact CG2-CD1 4.39Å; V749-L811 HydrophobicContact CG2-CD2 4.33Å; S807-L811 PolarHBondContact O-N 2.8Å; Y808-L811 HydrophobicContact CD2-CD2 4.04Å; Y808-L811 HydrophobicContact CE2-CD2 4.21Å; Y808-L811 CarbonylContact O-C 3.45Å; Y808-L811 WeakPolarHBondContact O-CA 3.24Å; Y808-L811 WeakPolarHBondContact O-CB 3.22Å; Y808-L811 PolarHBondContact O-N 3.5Å; Y808-L811 VanDerWaalsContact O-N 3.09Å; L811-W813 VanDerWaalsContact C-N 3.3Å; L811-W813 PolarHBondContact O-N 2.81Å; L811-E814 WeakPolarHBondContact O-CB 3.19Å; L811-E814 PolarHBondContact O-N 3.44Å; L811-L815 HydrophobicContact CG-CD1 4.35Å; L811-L815 WeakPolarHBondContact O-CG 3.38Å; L811-L815 PolarHBondContact O-N 3.34Å
812	L	98.6	Very high	95.7	Very high	2 Å²	2	6 Å²	6	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-57.8	-46.3	172.6	-69.1	-178.4	0	0	0	110.3	A724 Y808 G809 I810 E814 L815 F816 L854 M855 I876	A724-L812 HydrophobicContact CB-CD2 3.65Å; Y808-L812 HydrophobicContact CD1-CD1 4.24Å; Y808-L812 HydrophobicContact CD1-CG 4.16Å; Y808-L812 HydrophobicContact CE1-CD1 3.73Å; Y808-L812 HydrophobicContact CE1-CD2 3.85Å; Y808-L812 HydrophobicContact CE1-CG 3.67Å; Y808-L812 PolarHBondContact O-N 2.75Å; G809-L812 WeakPolarHBondContact O-CB 3.33Å; G809-L812 PolarHBondContact O-N 3.23Å; I810-L812 VanDerWaalsContact C-N 3.34Å; I810-L812 PolarHBondContact O-N 2.8Å; L812-E814 VanDerWaalsContact C-N 3.32Å; L812-E814 PolarHBondContact O-N 3.16Å; L812-L815 HydrophobicContact CD2-CD1 4.35Å; L812-L815 WeakPolarHBondContact O-CB 3.38Å; L812-L815 PolarHBondContact O-N 2.86Å; L812-F816 HydrophobicContact CD2-CE2 4.47Å; L812-F816 VanDerWaalsContact O-CD2 3.22Å; L812-F816 WeakPolarHBondContact O-CD2 3.22Å; L812-F816 PolarHBondContact O-N 3.48Å; L812-L854 HydrophobicContact CD1-CD2 4.06Å; L812-L854 HydrophobicContact CD1-CG 4.15Å; L812-M855 HydrophobicContact CB-CE 3.77Å; L812-M855 HydrophobicContact CB-CG 3.87Å; L812-M855 HydrophobicContact CB-SD 4.49Å; L812-M855 HydrophobicContact CD1-CG 4.08Å; L812-I876 HydrophobicContact CD2-CD1 4.44Å
813	W	97.8	Very high	95.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.8	-41.9	176.8	-171.3	93.9	0	0	0	112.1	W685 G809 I810 L811 S817 N820 S821 P822 N841 T842 P844 M855 W859	W685-W813 HydrophobicContact CB-CH2 3.72Å; W685-W813 HydrophobicContact CB-CZ2 3.63Å; G809-W813 PolarHBondContact O-N 3.48Å; G809-W813 VanDerWaalsContact O-N 3.09Å; I810-W813 CarbonylContact O-C 3.49Å; I810-W813 WeakPolarHBondContact O-CA 3.46Å; I810-W813 WeakPolarHBondContact O-CB 3.49Å; I810-W813 PolarHBondContact O-N 3.4Å; I810-W813 VanDerWaalsContact O-N 3.09Å; L811-W813 VanDerWaalsContact C-N 3.3Å; L811-W813 PolarHBondContact O-N 2.81Å; W813-S817 WeakPolarHBondContact CZ3-OG 3.22Å; W813-S817 WeakPolarHBondContact O-CB 3.28Å; W813-S817 PolarHBondContact O-N 2.99Å; W813-S817 PolarHBondContact O-OG 2.72Å; W813-N820 HydrophobicContact CH2-CB 3.75Å; W813-N820 HydrophobicContact CZ3-CB 3.69Å; W813-N820 WeakPolarHBondContact CZ3-O 3.27Å; W813-S821 WeakPolarHBondContact CH2-O 3.33Å; W813-S821 WeakPolarHBondContact CZ3-O 3.39Å; W813-P822 HydrophobicContact CE3-CB 4.41Å; W813-P822 HydrophobicContact CE3-CG 4.39Å; W813-P822 HydrophobicContact CZ3-CB 4.47Å; W813-N841 HydrophobicContact CD2-CB 4.44Å; W813-N841 HydrophobicContact CG-CB 4.18Å; W813-T842 PolarHBondContact NE1-O 2.95Å; W813-P844 HydrophobicContact CD2-CG 4.31Å; W813-P844 HydrophobicContact CG-CG 3.84Å; W813-M855 HydrophobicContact CB-SD 4.34Å; W813-W859 HydrophobicContact CB-CH2 3.86Å; W813-W859 HydrophobicContact CB-CZ2 3.82Å; W813-W859 AromaticContact CD1-CH2 3.8Å; W813-W859 HydrophobicContact CG-CH2 4.1Å; W813-W859 HydrophobicContact CG-CZ2 4.43Å
814	E	97	Very high	95	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	5%	0.047	C	C	.	.	H	α-helix	trans	-59.6	-46.5	173.4	-70.1	-174.4	106.1	0	0	111.2	A746 W787 I810 L811 L812 S817 L818 G819 P822	A746-E814 HydrophobicContact CB-CB 3.93Å; A746-E814 HydrophobicContact CB-CG 4.44Å; A746-E814 PolarHBondContact N-OE2 3.13Å; W787-E814 VanDerWaalsContact NE1-CD 3.27Å; W787-E814 PolarHBondContact NE1-OE1 3.37Å; W787-E814 PolarHBondContact NE1-OE2 3.45Å; I810-E814 WeakPolarHBondContact O-CG 3.18Å; I810-E814 PolarHBondContact O-N 3.32Å; L811-E814 WeakPolarHBondContact O-CB 3.19Å; L811-E814 PolarHBondContact O-N 3.44Å; L812-E814 VanDerWaalsContact C-N 3.32Å; L812-E814 PolarHBondContact O-N 3.16Å; E814-S817 WeakPolarHBondContact CA-OG 3.19Å; E814-S817 CarbonylContact O-C 3.57Å; E814-S817 PolarHBondContact O-N 3.12Å; E814-S817 PolarHBondContact O-OG 3.23Å; E814-L818 PolarHBondContact O-N 3.01Å; E814-L818 VanDerWaalsContact O-N 3.13Å; E814-G819 WeakPolarHBondContact O-CA 3.39Å; E814-G819 PolarHBondContact O-N 2.81Å; E814-P822 HydrophobicContact CG-CG 4.19Å
815	L	96.2	Very high	94.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-55.2	-56.5	176.3	-80.6	165.3	0	0	0	111.8	L670 L674 L720 F723 A724 L811 L812 S817 L818	L670-L815 HydrophobicContact CD1-CD2 4.36Å; L670-L815 HydrophobicContact CD2-CD2 3.81Å; L670-L815 HydrophobicContact CD2-CG 4.48Å; L670-L815 HydrophobicContact CG-CD2 4.42Å; L674-L815 HydrophobicContact CD1-CD2 4.19Å; L674-L815 HydrophobicContact CD2-CD2 4.48Å; L720-L815 WeakPolarHBondContact CD1-O 3.44Å; L720-L815 HydrophobicContact CD2-CB 4.35Å; L720-L815 HydrophobicContact CD2-CD2 3.92Å; L720-L815 WeakPolarHBondContact CD2-O 3.49Å; F723-L815 HydrophobicContact CB-CD2 3.86Å; F723-L815 HydrophobicContact CD2-CD2 4.08Å; F723-L815 HydrophobicContact CG-CD2 4.46Å; A724-L815 HydrophobicContact CB-CD1 3.91Å; L811-L815 HydrophobicContact CG-CD1 4.35Å; L811-L815 WeakPolarHBondContact O-CG 3.38Å; L811-L815 PolarHBondContact O-N 3.34Å; L812-L815 HydrophobicContact CD2-CD1 4.35Å; L812-L815 WeakPolarHBondContact O-CB 3.38Å; L812-L815 PolarHBondContact O-N 2.86Å; L815-S817 VanDerWaalsContact C-N 3.26Å; L815-S817 PolarHBondContact O-N 3.46Å; L815-L818 PolarHBondContact O-N 2.83Å
816	F	94.4	Very high	94	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-78.5	-7.9	-174.7	-68.9	-77.3	0	0	0	114.4	L720 L721 L812 P844 L846 I851 M855	L720-F816 HydrophobicContact CB-CD1 4.39Å; L720-F816 HydrophobicContact CB-CE1 3.89Å; L720-F816 HydrophobicContact CB-CZ 4.06Å; L720-F816 HydrophobicContact CD1-CD1 3.76Å; L720-F816 HydrophobicContact CD1-CE1 4.02Å; L720-F816 HydrophobicContact CD1-CG 4.4Å; L721-F816 HydrophobicContact CD2-CZ 3.88Å; L721-F816 HydrophobicContact CG-CZ 3.99Å; L812-F816 HydrophobicContact CD2-CE2 4.47Å; L812-F816 VanDerWaalsContact O-CD2 3.22Å; L812-F816 WeakPolarHBondContact O-CD2 3.22Å; L812-F816 PolarHBondContact O-N 3.48Å; F816-P844 VanDerWaalsContact C-CB 3.44Å; F816-P844 HydrophobicContact CB-CB 3.82Å; F816-P844 HydrophobicContact CB-CG 4.1Å; F816-P844 VanDerWaalsContact O-CB 3.24Å; F816-P844 WeakPolarHBondContact O-CB 3.08Å; F816-L846 HydrophobicContact CB-CB 4.4Å; F816-L846 HydrophobicContact CD1-CB 4.04Å; F816-L846 WeakPolarHBondContact CD1-O 3.42Å; F816-L846 WeakPolarHBondContact O-CB 3.36Å; F816-I851 HydrophobicContact CD1-CD1 4.47Å; F816-I851 HydrophobicContact CD2-CG2 3.65Å; F816-I851 HydrophobicContact CE1-CD1 3.7Å; F816-I851 HydrophobicContact CE1-CG2 4.41Å; F816-I851 HydrophobicContact CE2-CD1 4.37Å; F816-I851 HydrophobicContact CE2-CG2 3.46Å; F816-I851 VanDerWaalsContact CE2-CG2 3.46Å; F816-I851 HydrophobicContact CG-CG2 4.25Å; F816-I851 HydrophobicContact CZ-CD1 3.65Å; F816-I851 HydrophobicContact CZ-CG1 4.39Å; F816-I851 HydrophobicContact CZ-CG2 3.88Å; F816-M855 HydrophobicContact CB-CE 4.14Å; F816-M855 HydrophobicContact CD2-CE 3.53Å; F816-M855 HydrophobicContact CE2-CE 4.38Å; F816-M855 HydrophobicContact CG-CE 4.15Å
817	S	91.1	Very high	93.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	10.7	167.9	68.9	0	0	0	0	112.9	R678 W813 E814 L815 G819 N820	R678-S817 PolarHBondContact NH2-O 3.4Å; W813-S817 WeakPolarHBondContact CZ3-OG 3.22Å; W813-S817 WeakPolarHBondContact O-CB 3.28Å; W813-S817 PolarHBondContact O-N 2.99Å; W813-S817 PolarHBondContact O-OG 2.72Å; E814-S817 WeakPolarHBondContact CA-OG 3.19Å; E814-S817 CarbonylContact O-C 3.57Å; E814-S817 PolarHBondContact O-N 3.12Å; E814-S817 PolarHBondContact O-OG 3.23Å; L815-S817 VanDerWaalsContact C-N 3.26Å; L815-S817 PolarHBondContact O-N 3.46Å; S817-G819 VanDerWaalsContact C-N 3.35Å; S817-G819 PolarHBondContact O-N 2.99Å; S817-N820 PolarHBondContact O-ND2 3.02Å; S817-N820 WeakPolarHBondContact OG-CB 3.5Å; S817-N820 PolarHBondContact OG-N 3.4Å
818	L	91	Very high	93	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	44.2	-178.6	-58.6	-179.6	0	0	0	113.5	L674 R678 F684 L720 E814 L815 L846	L674-L818 HydrophobicContact CD2-CD2 4.25Å; R678-L818 HydrophobicContact CG-CB 3.92Å; R678-L818 HydrophobicContact CG-CD1 4.28Å; R678-L818 PolarHBondContact NE-O 2.96Å; R678-L818 PolarHBondContact NH2-O 3.33Å; F684-L818 HydrophobicContact CD1-CD1 4.04Å; F684-L818 HydrophobicContact CD2-CD1 3.86Å; F684-L818 HydrophobicContact CE1-CD1 4.08Å; F684-L818 HydrophobicContact CE2-CD1 3.91Å; F684-L818 HydrophobicContact CG-CD1 3.94Å; F684-L818 HydrophobicContact CG-CG 4.33Å; F684-L818 HydrophobicContact CZ-CD1 4.03Å; L720-L818 HydrophobicContact CD1-CD2 4.25Å; L720-L818 HydrophobicContact CD2-CD2 4.34Å; E814-L818 PolarHBondContact O-N 3.01Å; E814-L818 VanDerWaalsContact O-N 3.13Å; L815-L818 PolarHBondContact O-N 2.83Å; L818-L846 HydrophobicContact CD1-CD1 3.95Å; L818-L846 HydrophobicContact CD2-CD1 3.57Å; L818-L846 HydrophobicContact CG-CD1 3.63Å
819	G	90.5	Very high	92.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	84.4	28.6	175.4	0	0	0	0	0	114.5	R675 R678 E814 S817	R675-G819 PolarHBondContact NE-O 3.34Å; R675-G819 PolarHBondContact NH2-O 2.82Å; R678-G819 PolarHBondContact NH2-O 2.85Å; E814-G819 WeakPolarHBondContact O-CA 3.39Å; E814-G819 PolarHBondContact O-N 2.81Å; S817-G819 VanDerWaalsContact C-N 3.35Å; S817-G819 PolarHBondContact O-N 2.99Å
820	N	89.4	Confident	91.9	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.102	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-71.9	158	176.5	-90.1	-35.5	0	0	0	110	R678 W685 W813 S817	R678-N820 PolarHBondContact NH1-OD1 3.45Å; R678-N820 PolarHBondContact NH2-OD1 3.34Å; W685-N820 HydrophobicContact CB-CB 4.34Å; W813-N820 HydrophobicContact CH2-CB 3.75Å; W813-N820 HydrophobicContact CZ3-CB 3.69Å; W813-N820 WeakPolarHBondContact CZ3-O 3.27Å; S817-N820 PolarHBondContact O-ND2 3.02Å; S817-N820 WeakPolarHBondContact OG-CB 3.5Å; S817-N820 PolarHBondContact OG-N 3.4Å
821	S	91	Very high	91.5	Very high	58 Å²	58	29.4 Å²	29.4	41%	0.406	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-75.2	128.5	172.1	-66.9	0	0	0	0	109.4	W813	W813-S821 WeakPolarHBondContact CH2-O 3.33Å; W813-S821 WeakPolarHBondContact CZ3-O 3.39Å
822	P	93.4	Very high	91	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-57.8	149.5	178	-22.8	32	0	0	0	111.8	R786 W787 I810 W813 E814	R786-P822 HydrophobicContact CB-CB 4.43Å; R786-P822 WeakPolarHBondContact CD-O 3.44Å; R786-P822 PolarHBondContact NH1-O 3.06Å; W787-P822 HydrophobicContact CZ2-CG 4.03Å; I810-P822 HydrophobicContact CG2-CB 3.86Å; I810-P822 HydrophobicContact CG2-CG 3.3Å; W813-P822 HydrophobicContact CE3-CB 4.41Å; W813-P822 HydrophobicContact CE3-CG 4.39Å; W813-P822 HydrophobicContact CZ3-CB 4.47Å; E814-P822 HydrophobicContact CG-CG 4.19Å
823	Y	92.7	Very high	90.7	Very high	6 Å²	6	36.5 Å²	36.5	2%	0.024	24%	0.236	C	C	.	.	S	Bend	trans	54	60.7	179.4	-42.8	-69.9	0	0	0	112.9	R786 I810 G825 L826 L831 W834 L835 N841	R786-Y823 HydrophobicContact CB-CD2 4.1Å; R786-Y823 HydrophobicContact CB-CE2 4.33Å; R786-Y823 HydrophobicContact CG-CD2 4.25Å; R786-Y823 PolarHBondContact NH1-O 3.17Å; R786-Y823 VanDerWaalsContact O-CE2 3.27Å; R786-Y823 WeakPolarHBondContact O-CE2 3.48Å; I810-Y823 HydrophobicContact CD1-CE2 4.17Å; I810-Y823 VanDerWaalsContact CD1-OH 3.25Å; I810-Y823 WeakPolarHBondContact CD1-OH 2.78Å; Y823-G825 PolarHBondContact O-N 2.94Å; Y823-L826 PolarHBondContact O-N 3.02Å; Y823-L831 HydrophobicContact CD1-CD1 4.03Å; Y823-L831 HydrophobicContact CD2-CD1 3.57Å; Y823-L831 HydrophobicContact CD2-CD2 3.98Å; Y823-L831 HydrophobicContact CD2-CG 4.47Å; Y823-L831 HydrophobicContact CE1-CD1 4.24Å; Y823-L831 HydrophobicContact CE2-CD1 3.78Å; Y823-L831 HydrophobicContact CE2-CD2 4.07Å; Y823-L831 HydrophobicContact CG-CD1 3.69Å; Y823-W834 HydrophobicContact CD1-CH2 4.4Å; Y823-W834 AromaticContact CD1-CZ3 3.86Å; Y823-W834 HydrophobicContact CD1-CZ3 3.86Å; Y823-W834 AromaticContact CE1-CZ3 4Å; Y823-W834 HydrophobicContact CE1-CZ3 4Å; Y823-L835 HydrophobicContact CE1-CD2 3.84Å; Y823-N841 WeakPolarHBondContact CA-OD1 3.35Å; Y823-N841 HydrophobicContact CD1-CB 4.48Å; Y823-N841 VanDerWaalsContact CD1-CG 3.46Å; Y823-N841 WeakPolarHBondContact CD1-ND2 3.41Å; Y823-N841 WeakPolarHBondContact CD1-OD1 3.49Å; Y823-N841 HydrophobicContact CE1-CB 4.29Å; Y823-N841 VanDerWaalsContact CE1-CG 3.47Å; Y823-N841 WeakPolarHBondContact CE1-ND2 3.31Å; Y823-N841 PolarHBondContact N-OD1 3.03Å
824	P	85.3	Confident	90.5	Very high	56 Å²	56	40.3 Å²	40.3	36%	0.364	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	133.1	-178.3	25	-33.5	0	0	0	110.9	W685 L826	W685-P824 HydrophobicContact CD2-CB 4.47Å; W685-P824 HydrophobicContact CD2-CG 3.87Å; W685-P824 HydrophobicContact CE3-CG 3.67Å; W685-P824 HydrophobicContact CG-CG 4.31Å; W685-P824 HydrophobicContact CZ3-CG 4.13Å; P824-L826 VanDerWaalsContact C-N 3.28Å; P824-L826 PolarHBondContact O-N 2.98Å
825	G	86.4	Confident	90.3	Very high	91 Å²	91	40.3 Å²	40.3	94%	0.938	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-8.4	179	0	0	0	0	0	116.5	Y823	Y823-G825 PolarHBondContact O-N 2.94Å
826	L	88.6	Confident	90.1	Very high	26 Å²	26	44.3 Å²	44.3	14%	0.136	27%	0.272	C	S	.	.			trans	-91.2	138.2	179.2	-171.2	59.8	0	0	0	111.5	R786 Y823 P824 Q830 L831 W834	R786-L826 PolarHBondContact NH2-O 3.41Å; Y823-L826 PolarHBondContact O-N 3.02Å; P824-L826 VanDerWaalsContact C-N 3.28Å; P824-L826 PolarHBondContact O-N 2.98Å; L826-Q830 HydrophobicContact CD1-CB 4.08Å; L826-L831 HydrophobicContact CD2-CB 4.39Å; L826-L831 HydrophobicContact CD2-CD1 3.59Å; L826-W834 HydrophobicContact CD1-CG 4.36Å; L826-W834 HydrophobicContact CD2-CB 3.97Å; L826-W834 HydrophobicContact CD2-CD2 3.64Å; L826-W834 HydrophobicContact CD2-CE3 3.82Å; L826-W834 HydrophobicContact CD2-CG 3.74Å; L826-W834 HydrophobicContact CD2-CZ3 4.49Å
827	D	87.9	Confident	90.1	Very high	97 Å²	97	50.4 Å²	50.4	52%	0.519	30%	0.304	S	S	.	.			trans	-81.5	148.7	175.3	-179	61.7	0	0	0	112.6	G829 Q830 L831	D827-G829 VanDerWaalsContact C-N 3.28Å; D827-G829 PolarHBondContact O-N 3.26Å; D827-G829 WeakPolarHBondContact OD2-CA 3.45Å; D827-G829 PolarHBondContact OD2-N 3.39Å; D827-Q830 PolarHBondContact O-N 2.89Å; D827-L831 PolarHBondContact O-N 2.81Å; D827-L831 VanDerWaalsContact O-N 3.11Å
828	N	86.5	Confident	90.2	Very high	70 Å²	70	52.9 Å²	52.9	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-32.2	-178.6	-72.6	-4.9	0	0	0	112.7	R786 Q830 L831	R786-N828 PolarHBondContact NE-OD1 2.94Å; N828-Q830 VanDerWaalsContact C-N 3.31Å; N828-Q830 PolarHBondContact O-N 3.07Å; N828-L831 PolarHBondContact O-N 3.16Å
829	G	85.3	Confident	90.3	Very high	62 Å²	62	55.8 Å²	55.8	64%	0.639	35%	0.345	S	S	*	.	H	α-helix	trans	-70.9	-25.5	178.2	0	0	0	0	0	113.6	D827	D827-G829 VanDerWaalsContact C-N 3.28Å; D827-G829 PolarHBondContact O-N 3.26Å; D827-G829 WeakPolarHBondContact OD2-CA 3.45Å; D827-G829 PolarHBondContact OD2-N 3.39Å
830	Q	89.2	Confident	90.6	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-91.6	-21.1	178	-64.2	177.2	-12.2	0	0	112.8	L826 D827 N828 V832 N833 W834	L826-Q830 HydrophobicContact CD1-CB 4.08Å; D827-Q830 PolarHBondContact O-N 2.89Å; N828-Q830 VanDerWaalsContact C-N 3.31Å; N828-Q830 PolarHBondContact O-N 3.07Å; Q830-V832 PolarHBondContact O-N 2.76Å; Q830-N833 PolarHBondContact O-N 2.76Å; Q830-W834 WeakPolarHBondContact O-CB 3.33Å; Q830-W834 PolarHBondContact O-N 2.79Å
831	L	90.5	Very high	90.7	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-55.9	-46.6	-170.4	177.8	61.9	0	0	0	113.5	V785 R786 Y823 L826 D827 N828 N833 W834 L835	V785-L831 HydrophobicContact CG1-CD2 4.19Å; R786-L831 HydrophobicContact CB-CD2 4.41Å; R786-L831 HydrophobicContact CG-CD2 4.01Å; Y823-L831 HydrophobicContact CD1-CD1 4.03Å; Y823-L831 HydrophobicContact CD2-CD1 3.57Å; Y823-L831 HydrophobicContact CD2-CD2 3.98Å; Y823-L831 HydrophobicContact CD2-CG 4.47Å; Y823-L831 HydrophobicContact CE1-CD1 4.24Å; Y823-L831 HydrophobicContact CE2-CD1 3.78Å; Y823-L831 HydrophobicContact CE2-CD2 4.07Å; Y823-L831 HydrophobicContact CG-CD1 3.69Å; L826-L831 HydrophobicContact CD2-CB 4.39Å; L826-L831 HydrophobicContact CD2-CD1 3.59Å; D827-L831 PolarHBondContact O-N 2.81Å; D827-L831 VanDerWaalsContact O-N 3.11Å; N828-L831 PolarHBondContact O-N 3.16Å; L831-N833 PolarHBondContact O-N 3Å; L831-W834 WeakPolarHBondContact O-CB 3.45Å; L831-W834 PolarHBondContact O-N 2.75Å; L831-L835 HydrophobicContact CD1-CD1 3.88Å; L831-L835 HydrophobicContact CD1-CD2 4.34Å; L831-L835 HydrophobicContact CD1-CG 3.86Å; L831-L835 HydrophobicContact CG-CD1 3.88Å; L831-L835 HydrophobicContact CG-CG 4.28Å; L831-L835 VanDerWaalsContact O-CG 3.3Å; L831-L835 WeakPolarHBondContact O-CG 3.43Å; L831-L835 PolarHBondContact O-N 2.78Å
832	V	88.4	Confident	90.7	Very high	43 Å²	43	57.2 Å²	57.2	26%	0.261	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-47	-177.2	179	0	0	0	0	111.3	L793 Q830 W834 L835 N836	L793-V832 HydrophobicContact CB-CG2 4.45Å; L793-V832 HydrophobicContact CD1-CG2 3.55Å; Q830-V832 PolarHBondContact O-N 2.76Å; V832-W834 VanDerWaalsContact C-N 3.32Å; V832-W834 PolarHBondContact O-N 3Å; V832-L835 PolarHBondContact O-N 2.8Å; V832-N836 WeakPolarHBondContact O-CB 3.29Å; V832-N836 PolarHBondContact O-N 3.39Å; V832-N836 PolarHBondContact O-ND2 2.8Å
833	N	91.4	Very high	90.6	Very high	108 Å²	108	59.9 Å²	59.9	58%	0.578	36%	0.358	S	S	*	.	H	α-helix	trans	-64.2	-39.7	177.2	-70.5	-16.6	0	0	0	111.3	Q830 L831 N836 N837	Q830-N833 PolarHBondContact O-N 2.76Å; L831-N833 PolarHBondContact O-N 3Å; N833-N836 PolarHBondContact O-N 3.05Å; N833-N837 VanDerWaalsContact O-CG 3.31Å; N833-N837 PolarHBondContact O-N 3.19Å; N833-N837 PolarHBondContact O-ND2 3.35Å
834	W	94	Very high	90.4	Very high	80 Å²	80	59.6 Å²	59.6	30%	0.303	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-41.5	177.2	-172.3	90.3	0	0	0	112.4	Y823 L826 Q830 L831 V832 N837 N839 R840	Y823-W834 HydrophobicContact CD1-CH2 4.4Å; Y823-W834 AromaticContact CD1-CZ3 3.86Å; Y823-W834 HydrophobicContact CD1-CZ3 3.86Å; Y823-W834 AromaticContact CE1-CZ3 4Å; Y823-W834 HydrophobicContact CE1-CZ3 4Å; L826-W834 HydrophobicContact CD1-CG 4.36Å; L826-W834 HydrophobicContact CD2-CB 3.97Å; L826-W834 HydrophobicContact CD2-CD2 3.64Å; L826-W834 HydrophobicContact CD2-CE3 3.82Å; L826-W834 HydrophobicContact CD2-CG 3.74Å; L826-W834 HydrophobicContact CD2-CZ3 4.49Å; Q830-W834 WeakPolarHBondContact O-CB 3.33Å; Q830-W834 PolarHBondContact O-N 2.79Å; L831-W834 WeakPolarHBondContact O-CB 3.45Å; L831-W834 PolarHBondContact O-N 2.75Å; V832-W834 VanDerWaalsContact C-N 3.32Å; V832-W834 PolarHBondContact O-N 3Å; W834-N837 PolarHBondContact O-N 3.35Å; W834-N839 HydrophobicContact CD2-CB 3.45Å; W834-N839 VanDerWaalsContact CD2-CB 3.45Å; W834-N839 HydrophobicContact CE3-CB 3.54Å; W834-N839 HydrophobicContact CG-CB 4.26Å; W834-N839 HydrophobicContact CH2-CB 3.47Å; W834-N839 VanDerWaalsContact CH2-CB 3.47Å; W834-N839 HydrophobicContact CZ2-CB 3.35Å; W834-N839 HydrophobicContact CZ3-CB 3.54Å; W834-N839 WeakPolarHBondContact O-CB 3.42Å; W834-N839 PolarHBondContact O-ND2 2.84Å; W834-R840 VanDerWaalsContact CH2-O 3.29Å; W834-R840 WeakPolarHBondContact CH2-O 3.27Å
835	L	93.9	Very high	90.2	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-40.4	175.2	-69.4	172.9	0	0	0	112.4	P790 W806 Y823 L831 V832 N837 G838 R840	P790-L835 HydrophobicContact CG-CD1 4.33Å; W806-L835 HydrophobicContact CH2-CD1 4.33Å; W806-L835 HydrophobicContact CH2-CD2 4.21Å; W806-L835 HydrophobicContact CZ2-CD1 3.86Å; W806-L835 HydrophobicContact CZ2-CD2 4.09Å; Y823-L835 HydrophobicContact CE1-CD2 3.84Å; L831-L835 HydrophobicContact CD1-CD1 3.88Å; L831-L835 HydrophobicContact CD1-CD2 4.34Å; L831-L835 HydrophobicContact CD1-CG 3.86Å; L831-L835 HydrophobicContact CG-CD1 3.88Å; L831-L835 HydrophobicContact CG-CG 4.28Å; L831-L835 VanDerWaalsContact O-CG 3.3Å; L831-L835 WeakPolarHBondContact O-CG 3.43Å; L831-L835 PolarHBondContact O-N 2.78Å; V832-L835 PolarHBondContact O-N 2.8Å; L835-N837 PolarHBondContact O-N 3.25Å; L835-G838 PolarHBondContact O-N 2.91Å; L835-R840 PolarHBondContact O-NH1 3.44Å
836	N	91.4	Very high	90.2	Very high	84 Å²	84	53.8 Å²	53.8	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-25.2	177.6	-73.2	-18.8	0	0	0	112.6	V832 N833 G838 Q861	V832-N836 WeakPolarHBondContact O-CB 3.29Å; V832-N836 PolarHBondContact O-N 3.39Å; V832-N836 PolarHBondContact O-ND2 2.8Å; N833-N836 PolarHBondContact O-N 3.05Å; N836-G838 PolarHBondContact O-N 3.05Å; N836-Q861 PolarHBondContact OD1-NE2 3.29Å
837	N	93.8	Very high	90.3	Very high	128 Å²	128	52.6 Å²	52.6	68%	0.684	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	7.4	171.9	-68.4	-19.5	0	0	0	113.6	N833 W834 L835 N839	N833-N837 VanDerWaalsContact O-CG 3.31Å; N833-N837 PolarHBondContact O-N 3.19Å; N833-N837 PolarHBondContact O-ND2 3.35Å; W834-N837 PolarHBondContact O-N 3.35Å; L835-N837 PolarHBondContact O-N 3.25Å; N837-N839 VanDerWaalsContact C-N 3.32Å; N837-N839 PolarHBondContact O-N 2.82Å
838	G	92.8	Very high	90.4	Very high	52 Å²	52	48.4 Å²	48.4	54%	0.536	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	0.7	179.2	0	0	0	0	0	114.6	L835 N836	L835-G838 PolarHBondContact O-N 2.91Å; N836-G838 PolarHBondContact O-N 3.05Å
839	N	94.7	Very high	90.5	Very high	64 Å²	64	50.5 Å²	50.5	34%	0.342	28%	0.283	S	S	.	.			trans	-72.5	147.3	179	-56.1	-65.5	0	0	0	111.5	W834 N837	W834-N839 HydrophobicContact CD2-CB 3.45Å; W834-N839 VanDerWaalsContact CD2-CB 3.45Å; W834-N839 HydrophobicContact CE3-CB 3.54Å; W834-N839 HydrophobicContact CG-CB 4.26Å; W834-N839 HydrophobicContact CH2-CB 3.47Å; W834-N839 VanDerWaalsContact CH2-CB 3.47Å; W834-N839 HydrophobicContact CZ2-CB 3.35Å; W834-N839 HydrophobicContact CZ3-CB 3.54Å; W834-N839 WeakPolarHBondContact O-CB 3.42Å; W834-N839 PolarHBondContact O-ND2 2.84Å; N837-N839 VanDerWaalsContact C-N 3.32Å; N837-N839 PolarHBondContact O-N 2.82Å
840	R	95.4	Very high	90.9	Very high	38 Å²	38	50 Å²	50	14%	0.143	27%	0.27	C	S	.	.			trans	-138.8	162.3	179.5	-62.2	-62.7	-179.9	-97.9	9.1	110.2	W834 L835 L856 W859	W834-R840 VanDerWaalsContact CH2-O 3.29Å; W834-R840 WeakPolarHBondContact CH2-O 3.27Å; L835-R840 PolarHBondContact O-NH1 3.44Å; R840-L856 HydrophobicContact CB-CD2 4.08Å; R840-L856 HydrophobicContact CG-CD2 4.14Å; R840-W859 HydrophobicContact CB-CE3 4.07Å; R840-W859 HydrophobicContact CB-CZ3 4.47Å; R840-W859 HydrophobicContact CG-CE3 4.43Å; R840-W859 VanDerWaalsContact CZ-O 3.29Å; R840-W859 PolarHBondContact NE-O 3.17Å; R840-W859 PolarHBondContact NH2-O 3.47Å
841	N	93	Very high	91.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-51.6	141.9	173.3	-91.2	-49.2	0	0	0	110.7	W813 Y823 Y852 W859	W813-N841 HydrophobicContact CD2-CB 4.44Å; W813-N841 HydrophobicContact CG-CB 4.18Å; Y823-N841 WeakPolarHBondContact CA-OD1 3.35Å; Y823-N841 HydrophobicContact CD1-CB 4.48Å; Y823-N841 VanDerWaalsContact CD1-CG 3.46Å; Y823-N841 WeakPolarHBondContact CD1-ND2 3.41Å; Y823-N841 WeakPolarHBondContact CD1-OD1 3.49Å; Y823-N841 HydrophobicContact CE1-CB 4.29Å; Y823-N841 VanDerWaalsContact CE1-CG 3.47Å; Y823-N841 WeakPolarHBondContact CE1-ND2 3.31Å; Y823-N841 PolarHBondContact N-OD1 3.03Å; N841-Y852 PolarHBondContact O-OH 2.94Å; N841-W859 HydrophobicContact CB-CH2 3.77Å; N841-W859 HydrophobicContact CB-CZ3 4Å
842	T	91.2	Very high	91.5	Very high	66 Å²	66	46.1 Å²	46.1	41%	0.405	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-63.5	152.8	174	49.1	0	0	0	0	111.1	W685 W813 P844	W685-T842 PolarHBondContact O-OG1 2.95Å; W813-T842 PolarHBondContact NE1-O 2.95Å; T842-P844 VanDerWaalsContact O-CD 3.24Å; T842-P844 WeakPolarHBondContact O-CD 3.38Å
843	R	90.5	Very high	91.9	Very high	56 Å²	56	48.8 Å²	48.8	21%	0.211	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-59.7	119.6	174.8	-175	177	67.6	75.6	3.1	110.7	A686 D687 S847 Y852	A686-R843 CarbonylContact C-O 3.54Å; D687-R843 PolarHBondContact N-O 3.07Å; R843-S847 WeakPolarHBondContact CG-OG 3.44Å; R843-S847 PolarHBondContact NH1-O 3.4Å; R843-Y852 VanDerWaalsContact CA-CE2 3.42Å; R843-Y852 HydrophobicContact CB-CD1 3.88Å; R843-Y852 HydrophobicContact CB-CD2 3.71Å; R843-Y852 HydrophobicContact CB-CE1 3.96Å; R843-Y852 HydrophobicContact CB-CE2 3.81Å; R843-Y852 HydrophobicContact CB-CG 3.75Å; R843-Y852 HydrophobicContact CG-CD1 4.02Å; R843-Y852 HydrophobicContact CG-CD2 3.81Å; R843-Y852 HydrophobicContact CG-CE2 4.42Å; R843-Y852 HydrophobicContact CG-CG 3.58Å
844	P	88.3	Confident	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-62	149.3	172.3	-21.1	30.6	0	0	0	112.2	W813 F816 T842 L846 S847 M855	W813-P844 HydrophobicContact CD2-CG 4.31Å; W813-P844 HydrophobicContact CG-CG 3.84Å; F816-P844 VanDerWaalsContact C-CB 3.44Å; F816-P844 HydrophobicContact CB-CB 3.82Å; F816-P844 HydrophobicContact CB-CG 4.1Å; F816-P844 VanDerWaalsContact O-CB 3.24Å; F816-P844 WeakPolarHBondContact O-CB 3.08Å; T842-P844 VanDerWaalsContact O-CD 3.24Å; T842-P844 WeakPolarHBondContact O-CD 3.38Å; P844-L846 VanDerWaalsContact C-N 3.34Å; P844-L846 PolarHBondContact O-N 3.09Å; P844-S847 WeakPolarHBondContact CD-OG 3.02Å; P844-S847 PolarHBondContact O-N 3.21Å; P844-S847 PolarHBondContact O-OG 3.29Å; P844-M855 HydrophobicContact CG-CE 4.38Å
845	Y	81.7	Confident	92.5	Very high	24 Å²	24	39.9 Å²	39.9	9%	0.094	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-45.6	-177.8	176.4	-101.5	0	0	0	113.5	F684 I691 L708 I713 S847 M893	F684-Y845 AromaticContact CD1-CD1 3.82Å; F684-Y845 HydrophobicContact CD1-CD1 3.82Å; F684-Y845 HydrophobicContact CD1-CG 4.44Å; F684-Y845 HydrophobicContact CE1-CD1 4.04Å; F684-Y845 PolarHBondContact O-N 3.47Å; F684-Y845 VanDerWaalsContact O-N 3.08Å; I691-Y845 HydrophobicContact CD1-CD2 3.39Å; I691-Y845 HydrophobicContact CD1-CE2 4.15Å; I691-Y845 HydrophobicContact CD1-CG 3.76Å; L708-Y845 HydrophobicContact CD2-CE1 4.2Å; I713-Y845 HydrophobicContact CD1-CE1 4.18Å; I713-Y845 WeakPolarHBondContact CD1-OH 3.34Å; Y845-S847 PolarHBondContact O-N 3.49Å; Y845-M893 HydrophobicContact CE2-CE 4.38Å; Y845-M893 WeakPolarHBondContact OH-CE 3.25Å; Y845-M893 PolarHBondContact OH-SD 2.92Å
846	L	86.6	Confident	92.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.7	-177.7	-61.8	174.1	0	0	0	113.5	F684 I713 Q716 R717 L720 F816 L818 P844	F684-L846 HydrophobicContact CD1-CD1 4.37Å; F684-L846 HydrophobicContact CD1-CG 4.15Å; I713-L846 HydrophobicContact CG2-CD2 4.28Å; Q716-L846 HydrophobicContact CG-CD1 4.12Å; R717-L846 VanDerWaalsContact CD-O 3.3Å; R717-L846 WeakPolarHBondContact CD-O 2.93Å; R717-L846 VanDerWaalsContact CG-O 3.3Å; R717-L846 WeakPolarHBondContact CG-O 3.45Å; R717-L846 PolarHBondContact NE-O 2.79Å; L720-L846 HydrophobicContact CD1-CB 4.4Å; L720-L846 HydrophobicContact CD1-CD1 3.84Å; F816-L846 HydrophobicContact CB-CB 4.4Å; F816-L846 HydrophobicContact CD1-CB 4.04Å; F816-L846 WeakPolarHBondContact CD1-O 3.42Å; F816-L846 WeakPolarHBondContact O-CB 3.36Å; L818-L846 HydrophobicContact CD1-CD1 3.95Å; L818-L846 HydrophobicContact CD2-CD1 3.57Å; L818-L846 HydrophobicContact CG-CD1 3.63Å; P844-L846 VanDerWaalsContact C-N 3.34Å; P844-L846 PolarHBondContact O-N 3.09Å
847	S	89.2	Confident	93	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.			trans	-83.8	131.6	178.9	68.8	0	0	0	0	111.2	R843 P844 Y845	R843-S847 WeakPolarHBondContact CG-OG 3.44Å; R843-S847 PolarHBondContact NH1-O 3.4Å; P844-S847 WeakPolarHBondContact CD-OG 3.02Å; P844-S847 PolarHBondContact O-N 3.21Å; P844-S847 PolarHBondContact O-OG 3.29Å; Y845-S847 PolarHBondContact O-N 3.49Å
848	T	90.1	Very high	93.3	Very high	10 Å²	10	35.6 Å²	35.6	6%	0.061	19%	0.192	C	C	.	.			trans	-73.3	169.2	166.7	55.4	0	0	0	0	110.7	R717 S850 I851 Y852 Y883	R717-T848 VanDerWaalsContact NH1-CG2 3.26Å; T848-S850 VanDerWaalsContact C-N 3.27Å; T848-S850 PolarHBondContact O-N 2.93Å; T848-S850 PolarHBondContact OG1-OG 3.27Å; T848-I851 PolarHBondContact O-N 3.33Å; T848-I851 WeakPolarHBondContact OG1-CD1 3.33Å; T848-I851 WeakPolarHBondContact OG1-CG1 3.27Å; T848-I851 PolarHBondContact OG1-N 3.35Å; T848-Y852 WeakPolarHBondContact O-CB 3.45Å; T848-Y852 PolarHBondContact O-N 3.27Å; T848-Y883 WeakPolarHBondContact CG2-OH 3.31Å
849	N	90.2	Very high	93.5	Very high	114 Å²	114	33.1 Å²	33.1	61%	0.61	17%	0.167	S	C	*	.	H	α-helix	trans	-58.2	-40.1	173.7	-73.8	-18.8	0	0	0	111.9	I851 Y852 Q853	N849-I851 PolarHBondContact O-N 3.24Å; N849-Y852 PolarHBondContact O-N 2.72Å; N849-Q853 VanDerWaalsContact O-CG 3.28Å; N849-Q853 WeakPolarHBondContact O-CG 3.48Å; N849-Q853 PolarHBondContact O-N 3.19Å
850	S	93.4	Very high	93.6	Very high	52 Å²	52	31.5 Å²	31.5	36%	0.364	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-43.5	178	51.2	0	0	0	0	112.7	T848 Q853 L854	T848-S850 VanDerWaalsContact C-N 3.27Å; T848-S850 PolarHBondContact O-N 2.93Å; T848-S850 PolarHBondContact OG1-OG 3.27Å; S850-Q853 PolarHBondContact O-N 2.86Å; S850-L854 PolarHBondContact O-N 3.35Å; S850-L854 VanDerWaalsContact O-N 3.17Å
851	I	95.1	Very high	93.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-43.4	176	-67	166.7	0	0	0	110.5	L721 F816 T848 N849 L854 M855 I879	L721-I851 HydrophobicContact CD1-CD1 4.42Å; L721-I851 HydrophobicContact CD2-CD1 4.14Å; L721-I851 HydrophobicContact CD2-CG1 4.35Å; F816-I851 HydrophobicContact CD1-CD1 4.47Å; F816-I851 HydrophobicContact CD2-CG2 3.65Å; F816-I851 HydrophobicContact CE1-CD1 3.7Å; F816-I851 HydrophobicContact CE1-CG2 4.41Å; F816-I851 HydrophobicContact CE2-CD1 4.37Å; F816-I851 HydrophobicContact CE2-CG2 3.46Å; F816-I851 VanDerWaalsContact CE2-CG2 3.46Å; F816-I851 HydrophobicContact CG-CG2 4.25Å; F816-I851 HydrophobicContact CZ-CD1 3.65Å; F816-I851 HydrophobicContact CZ-CG1 4.39Å; F816-I851 HydrophobicContact CZ-CG2 3.88Å; T848-I851 PolarHBondContact O-N 3.33Å; T848-I851 WeakPolarHBondContact OG1-CD1 3.33Å; T848-I851 WeakPolarHBondContact OG1-CG1 3.27Å; T848-I851 PolarHBondContact OG1-N 3.35Å; N849-I851 PolarHBondContact O-N 3.24Å; I851-L854 WeakPolarHBondContact O-CB 3.42Å; I851-L854 PolarHBondContact O-N 3.39Å; I851-M855 HydrophobicContact CG2-CE 3.6Å; I851-M855 WeakPolarHBondContact O-CG 3.4Å; I851-M855 PolarHBondContact O-N 3.35Å; I851-I879 HydrophobicContact CD1-CG2 4.12Å; I851-I879 HydrophobicContact CG1-CD1 4.2Å; I851-I879 HydrophobicContact CG1-CG2 3.85Å
852	Y	96.7	Very high	93.7	Very high	40 Å²	40	36.6 Å²	36.6	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-34.9	179.4	-174.2	-117.8	0	0	0	113	N841 R843 T848 N849 L854 M855 L856 W859	N841-Y852 PolarHBondContact O-OH 2.94Å; R843-Y852 VanDerWaalsContact CA-CE2 3.42Å; R843-Y852 HydrophobicContact CB-CD1 3.88Å; R843-Y852 HydrophobicContact CB-CD2 3.71Å; R843-Y852 HydrophobicContact CB-CE1 3.96Å; R843-Y852 HydrophobicContact CB-CE2 3.81Å; R843-Y852 HydrophobicContact CB-CG 3.75Å; R843-Y852 HydrophobicContact CG-CD1 4.02Å; R843-Y852 HydrophobicContact CG-CD2 3.81Å; R843-Y852 HydrophobicContact CG-CE2 4.42Å; R843-Y852 HydrophobicContact CG-CG 3.58Å; T848-Y852 WeakPolarHBondContact O-CB 3.45Å; T848-Y852 PolarHBondContact O-N 3.27Å; N849-Y852 PolarHBondContact O-N 2.72Å; Y852-L854 VanDerWaalsContact C-N 3.33Å; Y852-L854 PolarHBondContact O-N 2.95Å; Y852-M855 HydrophobicContact CD2-CB 4.45Å; Y852-M855 HydrophobicContact CD2-SD 3.92Å; Y852-M855 WeakPolarHBondContact O-CB 3.03Å; Y852-M855 PolarHBondContact O-N 3.38Å; Y852-M855 VanDerWaalsContact O-N 3.17Å; Y852-L856 HydrophobicContact CD1-CD1 3.97Å; Y852-L856 HydrophobicContact CD1-CG 4.33Å; Y852-L856 HydrophobicContact CE1-CD1 3.67Å; Y852-L856 HydrophobicContact CE1-CD2 4.27Å; Y852-L856 HydrophobicContact CE1-CG 4.01Å; Y852-L856 HydrophobicContact CE2-CG 4.48Å; Y852-L856 WeakPolarHBondContact O-CG 3.44Å; Y852-L856 PolarHBondContact O-N 3.27Å; Y852-W859 HydrophobicContact CE2-CZ3 4.22Å
853	Q	97.5	Very high	93.9	Very high	98 Å²	98	35 Å²	35	46%	0.458	18%	0.179	S	C	.	.	H	α-helix	trans	-61.1	-42.9	171.6	-71.4	-55.3	-32.6	0	0	111.2	N849 S850 M855 L856 E857	N849-Q853 VanDerWaalsContact O-CG 3.28Å; N849-Q853 WeakPolarHBondContact O-CG 3.48Å; N849-Q853 PolarHBondContact O-N 3.19Å; S850-Q853 PolarHBondContact O-N 2.86Å; Q853-M855 VanDerWaalsContact C-N 3.31Å; Q853-M855 PolarHBondContact O-N 3.37Å; Q853-L856 PolarHBondContact O-N 3.2Å; Q853-L856 VanDerWaalsContact O-N 3.17Å; Q853-E857 WeakPolarHBondContact O-CG 3.4Å; Q853-E857 PolarHBondContact O-N 3.02Å
854	L	98.3	Very high	94.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-41.1	172.5	175.4	63.5	0	0	0	112.1	L812 S850 I851 Y852 E857 C858 P867 I872 I876	L812-L854 HydrophobicContact CD1-CD2 4.06Å; L812-L854 HydrophobicContact CD1-CG 4.15Å; S850-L854 PolarHBondContact O-N 3.35Å; S850-L854 VanDerWaalsContact O-N 3.17Å; I851-L854 WeakPolarHBondContact O-CB 3.42Å; I851-L854 PolarHBondContact O-N 3.39Å; Y852-L854 VanDerWaalsContact C-N 3.33Å; Y852-L854 PolarHBondContact O-N 2.95Å; L854-E857 PolarHBondContact O-N 2.96Å; L854-C858 PolarHBondContact O-N 3.24Å; L854-C858 PolarHBondContact O-SG 3.3Å; L854-P867 HydrophobicContact CD1-CG 4.38Å; L854-I872 HydrophobicContact CD1-CG1 4.26Å; L854-I876 HydrophobicContact CD2-CD1 4.16Å; L854-I876 HydrophobicContact CD2-CG1 3.71Å
855	M	98.5	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-46	173.8	-64	171.7	-171.1	0	0	111.9	L812 W813 F816 P844 I851 Y852 Q853 E857 C858 W859	L812-M855 HydrophobicContact CB-CE 3.77Å; L812-M855 HydrophobicContact CB-CG 3.87Å; L812-M855 HydrophobicContact CB-SD 4.49Å; L812-M855 HydrophobicContact CD1-CG 4.08Å; W813-M855 HydrophobicContact CB-SD 4.34Å; F816-M855 HydrophobicContact CB-CE 4.14Å; F816-M855 HydrophobicContact CD2-CE 3.53Å; F816-M855 HydrophobicContact CE2-CE 4.38Å; F816-M855 HydrophobicContact CG-CE 4.15Å; P844-M855 HydrophobicContact CG-CE 4.38Å; I851-M855 HydrophobicContact CG2-CE 3.6Å; I851-M855 WeakPolarHBondContact O-CG 3.4Å; I851-M855 PolarHBondContact O-N 3.35Å; Y852-M855 HydrophobicContact CD2-CB 4.45Å; Y852-M855 HydrophobicContact CD2-SD 3.92Å; Y852-M855 WeakPolarHBondContact O-CB 3.03Å; Y852-M855 PolarHBondContact O-N 3.38Å; Y852-M855 VanDerWaalsContact O-N 3.17Å; Q853-M855 VanDerWaalsContact C-N 3.31Å; Q853-M855 PolarHBondContact O-N 3.37Å; M855-E857 VanDerWaalsContact C-N 3.32Å; M855-E857 PolarHBondContact O-N 3.33Å; M855-C858 WeakPolarHBondContact O-CB 3.45Å; M855-C858 PolarHBondContact O-N 3.21Å; M855-W859 HydrophobicContact CB-CD2 4.47Å; M855-W859 HydrophobicContact CB-CE3 4.13Å; M855-W859 HydrophobicContact CB-CH2 3.76Å; M855-W859 HydrophobicContact CB-CZ2 4.13Å; M855-W859 HydrophobicContact CB-CZ3 3.77Å; M855-W859 HydrophobicContact CG-CH2 4.29Å; M855-W859 VanDerWaalsContact O-CG 3.27Å; M855-W859 PolarHBondContact O-N 2.9Å; M855-W859 HydrophobicContact SD-CH2 4.1Å
856	L	98.3	Very high	95.4	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.277	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-39.8	178.8	-71.5	174.2	0	0	0	112.2	R840 Y852 Q853 W859 S860	R840-L856 HydrophobicContact CB-CD2 4.08Å; R840-L856 HydrophobicContact CG-CD2 4.14Å; Y852-L856 HydrophobicContact CD1-CD1 3.97Å; Y852-L856 HydrophobicContact CD1-CG 4.33Å; Y852-L856 HydrophobicContact CE1-CD1 3.67Å; Y852-L856 HydrophobicContact CE1-CD2 4.27Å; Y852-L856 HydrophobicContact CE1-CG 4.01Å; Y852-L856 HydrophobicContact CE2-CG 4.48Å; Y852-L856 WeakPolarHBondContact O-CG 3.44Å; Y852-L856 PolarHBondContact O-N 3.27Å; Q853-L856 PolarHBondContact O-N 3.2Å; Q853-L856 VanDerWaalsContact O-N 3.17Å; L856-W859 HydrophobicContact CD2-CE3 4.36Å; L856-W859 CarbonylContact O-C 3.57Å; L856-W859 VanDerWaalsContact O-C 3.3Å; L856-W859 PolarHBondContact O-N 3.06Å; L856-S860 PolarHBondContact O-N 3.35Å; L856-S860 VanDerWaalsContact O-N 3.17Å
857	E	98.4	Very high	95.9	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-41.8	174.8	-68.9	170.1	-125.4	0	0	111.9	Q853 L854 M855 W859 S860 R875	Q853-E857 WeakPolarHBondContact O-CG 3.4Å; Q853-E857 PolarHBondContact O-N 3.02Å; L854-E857 PolarHBondContact O-N 2.96Å; M855-E857 VanDerWaalsContact C-N 3.32Å; M855-E857 PolarHBondContact O-N 3.33Å; E857-W859 PolarHBondContact O-N 3Å; E857-S860 WeakPolarHBondContact O-CB 3.46Å; E857-S860 PolarHBondContact O-N 3.29Å; E857-S860 VanDerWaalsContact O-N 3.14Å; E857-R875 IonicContact OE1-CZ 3Å; E857-R875 VanDerWaalsContact OE1-CZ 3.26Å; E857-R875 IonicContact OE1-NH1 3.97Å; E857-R875 PolarHBondContact OE1-NH1 3.35Å; E857-R875 IonicContact OE1-NH2 3.64Å; E857-R875 PolarHBondContact OE1-NH2 3.26Å; E857-R875 IonicContact OE2-CZ 3.82Å; E857-R875 IonicContact OE2-NH1 3.26Å; E857-R875 PolarHBondContact OE2-NH1 3.38Å; E857-R875 IonicContact OE2-NH2 2.63Å
858	C	98.6	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-31.3	172.2	-65.8	0	0	0	0	112	V805 L854 M855 R866	V805-C858 HydrophobicContact CG1-CB 4.02Å; L854-C858 PolarHBondContact O-N 3.24Å; L854-C858 PolarHBondContact O-SG 3.3Å; M855-C858 WeakPolarHBondContact O-CB 3.45Å; M855-C858 PolarHBondContact O-N 3.21Å; C858-R866 VanDerWaalsContact O-CD 3.22Å; C858-R866 WeakPolarHBondContact O-CD 3.39Å
859	W	97.9	Very high	96.8	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	21.1	176.7	-54.1	-37.2	0	0	0	114.2	W806 G809 I810 W813 R840 N841 Y852 M855 L856 E857 Q861	W806-W859 AromaticContact CD2-CD1 3.92Å; W806-W859 HydrophobicContact CE3-CB 4.15Å; W806-W859 HydrophobicContact CH2-CB 4.23Å; W806-W859 HydrophobicContact CZ3-CB 3.95Å; W806-W859 VanDerWaalsContact CZ3-O 3.29Å; W806-W859 WeakPolarHBondContact CZ3-O 3.29Å; W806-W859 PolarHBondContact O-NE1 3.48Å; G809-W859 WeakPolarHBondContact O-CZ2 3.3Å; I810-W859 HydrophobicContact CD1-CZ2 3.76Å; I810-W859 VanDerWaalsContact CD1-NE1 3.34Å; W813-W859 HydrophobicContact CB-CH2 3.86Å; W813-W859 HydrophobicContact CB-CZ2 3.82Å; W813-W859 AromaticContact CD1-CH2 3.8Å; W813-W859 HydrophobicContact CG-CH2 4.1Å; W813-W859 HydrophobicContact CG-CZ2 4.43Å; R840-W859 HydrophobicContact CB-CE3 4.07Å; R840-W859 HydrophobicContact CB-CZ3 4.47Å; R840-W859 HydrophobicContact CG-CE3 4.43Å; R840-W859 VanDerWaalsContact CZ-O 3.29Å; R840-W859 PolarHBondContact NE-O 3.17Å; R840-W859 PolarHBondContact NH2-O 3.47Å; N841-W859 HydrophobicContact CB-CH2 3.77Å; N841-W859 HydrophobicContact CB-CZ3 4Å; Y852-W859 HydrophobicContact CE2-CZ3 4.22Å; M855-W859 HydrophobicContact CB-CD2 4.47Å; M855-W859 HydrophobicContact CB-CE3 4.13Å; M855-W859 HydrophobicContact CB-CH2 3.76Å; M855-W859 HydrophobicContact CB-CZ2 4.13Å; M855-W859 HydrophobicContact CB-CZ3 3.77Å; M855-W859 HydrophobicContact CG-CH2 4.29Å; M855-W859 VanDerWaalsContact O-CG 3.27Å; M855-W859 PolarHBondContact O-N 2.9Å; M855-W859 HydrophobicContact SD-CH2 4.1Å; L856-W859 HydrophobicContact CD2-CE3 4.36Å; L856-W859 CarbonylContact O-C 3.57Å; L856-W859 VanDerWaalsContact O-C 3.3Å; L856-W859 PolarHBondContact O-N 3.06Å; E857-W859 PolarHBondContact O-N 3Å; W859-Q861 PolarHBondContact O-N 3.42Å
860	S	97.6	Very high	97.2	Very high	30 Å²	30	50.4 Å²	50.4	21%	0.21	25%	0.248	C	C	.	.			trans	-57.1	135.3	171.3	-171.2	0	0	0	0	110.2	L856 E857 D862 N865 R866	L856-S860 PolarHBondContact O-N 3.35Å; L856-S860 VanDerWaalsContact O-N 3.17Å; E857-S860 WeakPolarHBondContact O-CB 3.46Å; E857-S860 PolarHBondContact O-N 3.29Å; E857-S860 VanDerWaalsContact O-N 3.14Å; S860-D862 VanDerWaalsContact C-N 3.25Å; S860-D862 PolarHBondContact O-N 2.9Å; S860-D862 PolarHBondContact OG-O 3.2Å; S860-N865 WeakPolarHBondContact OG-CB 3.38Å; S860-R866 PolarHBondContact O-NE 3.4Å; S860-R866 PolarHBondContact O-NH2 3.04Å
861	Q	94.9	Very high	97.4	Very high	78 Å²	78	50.5 Å²	50.5	36%	0.364	24%	0.244	S	C	.	.	S	Bend	trans	-61.1	-40.8	-179.2	-171.9	65.8	31.1	0	0	110.9	N836 W859 P863	N836-Q861 PolarHBondContact OD1-NE2 3.29Å; W859-Q861 PolarHBondContact O-N 3.42Å; Q861-P863 WeakPolarHBondContact O-CD 3.29Å
862	D	94.4	Very high	97.6	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.374	24%	0.244	S	C	.	.	S	Bend	trans	-82.7	117.8	174	-179.7	1.5	0	0	0	109.9	S860 D864 N865	S860-D862 VanDerWaalsContact C-N 3.25Å; S860-D862 PolarHBondContact O-N 2.9Å; S860-D862 PolarHBondContact OG-O 3.2Å; D862-D864 PolarHBondContact O-N 3.26Å; D862-D864 PolarHBondContact OD1-N 2.95Å; D862-N865 HydrophobicContact CB-CB 4.4Å; D862-N865 WeakPolarHBondContact CB-ND2 3.45Å; D862-N865 PolarHBondContact O-N 3.1Å; D862-N865 PolarHBondContact OD2-ND2 3.4Å; D862-N865 VanDerWaalsContact OD2-ND2 3.15Å
863	P	95.3	Very high	97.6	Very high	32 Å²	32	49 Å²	49	21%	0.208	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.4	-29.8	178.2	-24.5	34.7	0	0	0	114.1	E791 K802 Q861 N865 R866	E791-P863 HydrophobicContact CG-CG 4.26Å; K802-P863 HydrophobicContact CB-CB 3.84Å; K802-P863 HydrophobicContact CG-CB 4.28Å; K802-P863 WeakPolarHBondContact CG-O 3.49Å; K802-P863 PolarHBondContact NZ-O 2.95Å; Q861-P863 WeakPolarHBondContact O-CD 3.29Å; P863-N865 VanDerWaalsContact C-N 3.28Å; P863-N865 PolarHBondContact O-N 3.24Å; P863-R866 WeakPolarHBondContact O-CB 3.34Å; P863-R866 PolarHBondContact O-N 3.04Å
864	D	95.9	Very high	97.7	Very high	131 Å²	131	47.6 Å²	47.6	70%	0.701	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-69.5	-30.3	-178	-71.7	-27	0	0	0	111.8	K802 D862 R866	K802-D864 PolarHBondContact NZ-O 3.39Å; D862-D864 PolarHBondContact O-N 3.26Å; D862-D864 PolarHBondContact OD1-N 2.95Å; D864-R866 VanDerWaalsContact C-N 3.3Å; D864-R866 PolarHBondContact O-N 3.41Å
865	N	97.8	Very high	97.6	Very high	108 Å²	108	50.3 Å²	50.3	58%	0.578	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-78.5	-8.8	176.3	-71.2	-38.5	0	0	0	114	S860 D862 P863	S860-N865 WeakPolarHBondContact OG-CB 3.38Å; D862-N865 HydrophobicContact CB-CB 4.4Å; D862-N865 WeakPolarHBondContact CB-ND2 3.45Å; D862-N865 PolarHBondContact O-N 3.1Å; D862-N865 PolarHBondContact OD2-ND2 3.4Å; D862-N865 VanDerWaalsContact OD2-ND2 3.15Å; P863-N865 VanDerWaalsContact C-N 3.28Å; P863-N865 PolarHBondContact O-N 3.24Å
866	R	98.4	Very high	97.5	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.019	25%	0.246	C	C	.	.	S	Bend	trans	-75.2	142.9	175.5	-58.1	177.5	-167.8	153.7	10.3	110	E791 K802 V805 C858 S860 P863 D864	E791-R866 IonicContact OE1-CZ 3.25Å; E791-R866 IonicContact OE1-NH1 3.95Å; E791-R866 PolarHBondContact OE1-NH1 3.18Å; E791-R866 IonicContact OE1-NH2 2.71Å; E791-R866 PolarHBondContact OE1-NH2 3.02Å; E791-R866 IonicContact OE2-CZ 3.95Å; E791-R866 IonicContact OE2-NH1 2.73Å; E791-R866 IonicContact OE2-NH2 2.76Å; E791-R866 PolarHBondContact OE2-NH2 3.28Å; K802-R866 HydrophobicContact CD-CB 4.3Å; K802-R866 PolarHBondContact NZ-O 3.38Å; K802-R866 PolarHBondContact O-NH1 2.66Å; V805-R866 HydrophobicContact CG1-CB 3.9Å; C858-R866 VanDerWaalsContact O-CD 3.22Å; C858-R866 WeakPolarHBondContact O-CD 3.39Å; S860-R866 PolarHBondContact O-NE 3.4Å; S860-R866 PolarHBondContact O-NH2 3.04Å; P863-R866 WeakPolarHBondContact O-CB 3.34Å; P863-R866 PolarHBondContact O-N 3.04Å; D864-R866 VanDerWaalsContact C-N 3.3Å; D864-R866 PolarHBondContact O-N 3.41Å
867	P	98.4	Very high	97.4	Very high	17 Å²	17	49.9 Å²	49.9	11%	0.11	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66.6	158.5	178.1	27.9	-34.3	0	0	0	111.7	V805 L854 D871 I872	V805-P867 HydrophobicContact CG1-CG 4.45Å; V805-P867 WeakPolarHBondContact CG2-O 3.47Å; L854-P867 HydrophobicContact CD1-CG 4.38Å; P867-D871 HydrophobicContact CB-CB 4.31Å; P867-I872 HydrophobicContact CB-CG1 4Å; P867-I872 HydrophobicContact CG-CD1 4.06Å; P867-I872 HydrophobicContact CG-CG1 3.75Å
868	R	98.3	Very high	97.2	Very high	134 Å²	134	52.5 Å²	52.5	51%	0.506	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-82.5	159.7	169.4	-60.1	175.8	-65.2	179	2.9	109.9	Y870 D871 I872	R868-Y870 PolarHBondContact O-N 3.49Å; R868-D871 WeakPolarHBondContact CB-OD2 3.43Å; R868-D871 IonicContact CZ-OD2 3.73Å; R868-D871 PolarHBondContact N-OD2 3.44Å; R868-D871 IonicContact NE-OD2 2.77Å; R868-D871 PolarHBondContact NE-OD2 3.05Å; R868-D871 IonicContact NH2-OD1 3.89Å; R868-D871 IonicContact NH2-OD2 3.97Å; R868-D871 WeakPolarHBondContact O-CB 3.36Å; R868-D871 PolarHBondContact O-N 3.07Å; R868-I872 WeakPolarHBondContact O-CG1 3.4Å; R868-I872 PolarHBondContact O-N 3.2Å
869	F	98.6	Very high	96.9	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-31.8	180	-76.9	-69.8	0	0	0	112.8	L731 L732 E735 D804 V805 Y808 D871 I872 C873	L731-F869 HydrophobicContact CB-CD1 3.62Å; L731-F869 HydrophobicContact CB-CD2 3.98Å; L731-F869 HydrophobicContact CB-CE1 3.43Å; L731-F869 VanDerWaalsContact CB-CE1 3.43Å; L731-F869 HydrophobicContact CB-CE2 3.79Å; L731-F869 HydrophobicContact CB-CG 3.91Å; L731-F869 HydrophobicContact CB-CZ 3.52Å; L731-F869 HydrophobicContact CD1-CD1 4.41Å; L731-F869 HydrophobicContact CD1-CE1 3.5Å; L731-F869 VanDerWaalsContact CD1-CE1 3.5Å; L731-F869 HydrophobicContact CD1-CZ 3.63Å; L731-F869 HydrophobicContact CD2-CZ 4.48Å; L731-F869 HydrophobicContact CG-CE1 4.08Å; L731-F869 HydrophobicContact CG-CZ 4.07Å; L732-F869 HydrophobicContact CB-CB 3.82Å; L732-F869 HydrophobicContact CD1-CB 4.18Å; E735-F869 HydrophobicContact CB-CD2 4.25Å; E735-F869 PolarHBondContact OE2-N 3.48Å; D804-F869 HydrophobicContact CB-CE2 4.15Å; D804-F869 HydrophobicContact CB-CZ 4.03Å; V805-F869 HydrophobicContact CB-CZ 4.42Å; V805-F869 HydrophobicContact CG2-CD2 4.12Å; V805-F869 HydrophobicContact CG2-CE1 4.29Å; V805-F869 HydrophobicContact CG2-CE2 3.65Å; V805-F869 HydrophobicContact CG2-CZ 3.74Å; Y808-F869 HydrophobicContact CD1-CE1 4.4Å; Y808-F869 HydrophobicContact CD2-CE1 4.2Å; Y808-F869 AromaticContact CG-CE1 3.91Å; Y808-F869 HydrophobicContact CG-CE1 3.91Å; F869-D871 VanDerWaalsContact C-N 3.32Å; F869-D871 PolarHBondContact O-N 3.2Å; F869-I872 HydrophobicContact CD1-CD1 3.91Å; F869-I872 HydrophobicContact CE1-CD1 4.16Å; F869-I872 PolarHBondContact O-N 3.15Å; F869-C873 PolarHBondContact O-N 3.42Å; F869-C873 PolarHBondContact O-SG 3.19Å
870	Y	98.1	Very high	96.5	Very high	133 Å²	133	56.2 Å²	56.2	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-46.3	172	179.2	-94.4	0	0	0	112.1	R868 N874	R868-Y870 PolarHBondContact O-N 3.49Å; Y870-N874 WeakPolarHBondContact CE1-ND2 3.16Å; Y870-N874 PolarHBondContact O-N 3.49Å; Y870-N874 PolarHBondContact O-ND2 3.01Å
871	D	98.3	Very high	96.1	Very high	53 Å²	53	58 Å²	58	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-70.9	-36.3	-179.6	-53.3	-52.1	0	0	0	110.8	P867 R868 F869 R875	P867-D871 HydrophobicContact CB-CB 4.31Å; R868-D871 WeakPolarHBondContact CB-OD2 3.43Å; R868-D871 IonicContact CZ-OD2 3.73Å; R868-D871 PolarHBondContact N-OD2 3.44Å; R868-D871 IonicContact NE-OD2 2.77Å; R868-D871 PolarHBondContact NE-OD2 3.05Å; R868-D871 IonicContact NH2-OD1 3.89Å; R868-D871 IonicContact NH2-OD2 3.97Å; R868-D871 WeakPolarHBondContact O-CB 3.36Å; R868-D871 PolarHBondContact O-N 3.07Å; F869-D871 VanDerWaalsContact C-N 3.32Å; F869-D871 PolarHBondContact O-N 3.2Å; D871-R875 WeakPolarHBondContact O-CG 3.47Å; D871-R875 PolarHBondContact O-N 3.45Å; D871-R875 VanDerWaalsContact O-N 3.07Å
872	I	98.7	Very high	95.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-48.9	174.5	-64.7	172.8	0	0	0	111.1	A728 V805 Y808 L854 P867 R868 F869 N874 R875 I876	A728-I872 HydrophobicContact CB-CG2 4.02Å; V805-I872 HydrophobicContact CG1-CD1 3.96Å; V805-I872 HydrophobicContact CG2-CD1 4.32Å; Y808-I872 HydrophobicContact CD1-CD1 4.22Å; Y808-I872 HydrophobicContact CD1-CG2 4.15Å; Y808-I872 HydrophobicContact CE1-CG2 3.45Å; Y808-I872 VanDerWaalsContact CE1-CG2 3.45Å; L854-I872 HydrophobicContact CD1-CG1 4.26Å; P867-I872 HydrophobicContact CB-CG1 4Å; P867-I872 HydrophobicContact CG-CD1 4.06Å; P867-I872 HydrophobicContact CG-CG1 3.75Å; R868-I872 WeakPolarHBondContact O-CG1 3.4Å; R868-I872 PolarHBondContact O-N 3.2Å; F869-I872 HydrophobicContact CD1-CD1 3.91Å; F869-I872 HydrophobicContact CE1-CD1 4.16Å; F869-I872 PolarHBondContact O-N 3.15Å; I872-N874 VanDerWaalsContact C-N 3.34Å; I872-N874 PolarHBondContact O-N 3.11Å; I872-R875 PolarHBondContact O-N 3.5Å; I872-I876 HydrophobicContact CG2-CD1 3.65Å; I872-I876 HydrophobicContact CG2-CG1 4.38Å; I872-I876 WeakPolarHBondContact O-CG1 3.39Å; I872-I876 PolarHBondContact O-N 3.4Å
873	C	98.4	Very high	94.9	Very high	13 Å²	13	53.8 Å²	53.8	9%	0.088	27%	0.273	C	S	.	.	H	α-helix	trans	-56.1	-48.3	178.5	-73	0	0	0	0	111.6	L725 A728 F869 I876 A877	L725-C873 HydrophobicContact CD1-CB 4.27Å; A728-C873 VanDerWaalsContact CB-SG 3.5Å; F869-C873 PolarHBondContact O-N 3.42Å; F869-C873 PolarHBondContact O-SG 3.19Å; C873-I876 PolarHBondContact O-N 3.12Å; C873-A877 WeakPolarHBondContact O-CB 3.27Å; C873-A877 PolarHBondContact O-N 3.31Å
874	N	97.7	Very high	93.2	Very high	67 Å²	67	55.1 Å²	55.1	36%	0.358	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-47.2	179.1	-69	-29.5	0	0	0	111.5	Y870 I872 I876 A877 E878	Y870-N874 WeakPolarHBondContact CE1-ND2 3.16Å; Y870-N874 PolarHBondContact O-N 3.49Å; Y870-N874 PolarHBondContact O-ND2 3.01Å; I872-N874 VanDerWaalsContact C-N 3.34Å; I872-N874 PolarHBondContact O-N 3.11Å; N874-I876 PolarHBondContact O-N 3.17Å; N874-A877 PolarHBondContact O-N 3.45Å; N874-E878 WeakPolarHBondContact O-CG 3.22Å; N874-E878 PolarHBondContact O-N 3.05Å
875	R	97.3	Very high	91.2	Very high	60 Å²	60	55.5 Å²	55.5	23%	0.226	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-40	178.8	-74.7	-176	69	-170.9	11.7	113.2	E857 D871 I872 E878 I879	E857-R875 IonicContact OE1-CZ 3Å; E857-R875 VanDerWaalsContact OE1-CZ 3.26Å; E857-R875 IonicContact OE1-NH1 3.97Å; E857-R875 PolarHBondContact OE1-NH1 3.35Å; E857-R875 IonicContact OE1-NH2 3.64Å; E857-R875 PolarHBondContact OE1-NH2 3.26Å; E857-R875 IonicContact OE2-CZ 3.82Å; E857-R875 IonicContact OE2-NH1 3.26Å; E857-R875 PolarHBondContact OE2-NH1 3.38Å; E857-R875 IonicContact OE2-NH2 2.63Å; D871-R875 WeakPolarHBondContact O-CG 3.47Å; D871-R875 PolarHBondContact O-N 3.45Å; D871-R875 VanDerWaalsContact O-N 3.07Å; I872-R875 PolarHBondContact O-N 3.5Å; R875-E878 PolarHBondContact O-N 2.76Å; R875-I879 WeakPolarHBondContact O-CB 3.2Å; R875-I879 WeakPolarHBondContact O-CD1 3.46Å; R875-I879 WeakPolarHBondContact O-CG1 3.24Å; R875-I879 PolarHBondContact O-N 2.98Å
876	I	96.8	Very high	88.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-68.5	-40.5	177.6	-68.3	173.1	0	0	0	110.5	L721 A724 L725 A728 Y808 L812 L854 I872 C873 N874 I879 K880	L721-I876 HydrophobicContact CD2-CG2 4.02Å; A724-I876 HydrophobicContact CB-CD1 4.07Å; A724-I876 HydrophobicContact CB-CG2 4.27Å; L725-I876 HydrophobicContact CB-CG2 3.85Å; L725-I876 HydrophobicContact CD1-CB 4.39Å; L725-I876 HydrophobicContact CD1-CG2 4.26Å; A728-I876 HydrophobicContact CB-CD1 4.42Å; Y808-I876 HydrophobicContact CE1-CD1 4.16Å; Y808-I876 WeakPolarHBondContact OH-CD1 3.49Å; L812-I876 HydrophobicContact CD2-CD1 4.44Å; L854-I876 HydrophobicContact CD2-CD1 4.16Å; L854-I876 HydrophobicContact CD2-CG1 3.71Å; I872-I876 HydrophobicContact CG2-CD1 3.65Å; I872-I876 HydrophobicContact CG2-CG1 4.38Å; I872-I876 WeakPolarHBondContact O-CG1 3.39Å; I872-I876 PolarHBondContact O-N 3.4Å; C873-I876 PolarHBondContact O-N 3.12Å; N874-I876 PolarHBondContact O-N 3.17Å; I876-I879 PolarHBondContact O-N 3.12Å; I876-K880 WeakPolarHBondContact O-CB 3.42Å; I876-K880 PolarHBondContact O-N 3.35Å
877	A	94.9	Very high	85.8	Confident	42 Å²	42	64.8 Å²	64.8	35%	0.347	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-43.3	175.4	0	0	0	0	0	111.8	C873 N874 K880 S881	C873-A877 WeakPolarHBondContact O-CB 3.27Å; C873-A877 PolarHBondContact O-N 3.31Å; N874-A877 PolarHBondContact O-N 3.45Å; A877-K880 PolarHBondContact O-N 3.39Å; A877-S881 PolarHBondContact O-N 3.46Å; A877-S881 PolarHBondContact O-OG 3.36Å
878	E	94.6	Very high	83.2	Confident	127 Å²	127	68.2 Å²	68.2	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-64	-45.6	174.8	-72.9	171.4	-173.3	0	0	112.7	N874 R875 K880 S881 S882	N874-E878 WeakPolarHBondContact O-CG 3.22Å; N874-E878 PolarHBondContact O-N 3.05Å; R875-E878 PolarHBondContact O-N 2.76Å; E878-K880 VanDerWaalsContact C-N 3.31Å; E878-K880 PolarHBondContact O-N 3.24Å; E878-S881 PolarHBondContact O-N 2.91Å; E878-S881 PolarHBondContact O-OG 3.09Å; E878-S882 PolarHBondContact O-N 3.28Å
879	I	92.9	Very high	80.5	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.087	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-44.2	176.4	-69	166	0	0	0	109.7	L721 I851 R875 I876 S881 S882 Y883	L721-I879 HydrophobicContact CD1-CG2 3.87Å; L721-I879 HydrophobicContact CD2-CG2 4.11Å; I851-I879 HydrophobicContact CD1-CG2 4.12Å; I851-I879 HydrophobicContact CG1-CD1 4.2Å; I851-I879 HydrophobicContact CG1-CG2 3.85Å; R875-I879 WeakPolarHBondContact O-CB 3.2Å; R875-I879 WeakPolarHBondContact O-CD1 3.46Å; R875-I879 WeakPolarHBondContact O-CG1 3.24Å; R875-I879 PolarHBondContact O-N 2.98Å; I876-I879 PolarHBondContact O-N 3.12Å; I879-S881 PolarHBondContact O-N 3.03Å; I879-S882 PolarHBondContact O-N 3.4Å; I879-S882 PolarHBondContact O-OG 3.07Å; I879-Y883 HydrophobicContact CG2-CE2 3.98Å; I879-Y883 WeakPolarHBondContact O-CD2 3.29Å
880	K	90	Very high	77.9	Confident	61 Å²	61	70.1 Å²	70.1	27%	0.265	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-39.9	178.5	-176.5	-178.6	164.8	-165.2	0	112.2	L721 K722 I876 A877 E878 S882 Y883	L721-K880 HydrophobicContact CB-CB 4.16Å; L721-K880 HydrophobicContact CB-CD 4.4Å; L721-K880 HydrophobicContact CB-CG 4.25Å; L721-K880 HydrophobicContact CD1-CB 4.21Å; K722-K880 HydrophobicContact CG-CD 4.42Å; I876-K880 WeakPolarHBondContact O-CB 3.42Å; I876-K880 PolarHBondContact O-N 3.35Å; A877-K880 PolarHBondContact O-N 3.39Å; E878-K880 VanDerWaalsContact C-N 3.31Å; E878-K880 PolarHBondContact O-N 3.24Å; K880-S882 VanDerWaalsContact C-N 3.33Å; K880-Y883 PolarHBondContact O-N 3.18Å
881	S	89	Confident	75.1	Confident	67 Å²	67	70.1 Å²	70.1	47%	0.469	38%	0.379	S	S	.	.	H	α-helix	trans	-68.9	-30.7	177.1	65.4	0	0	0	0	112.6	A877 E878 I879 Y883 G884	A877-S881 PolarHBondContact O-N 3.46Å; A877-S881 PolarHBondContact O-OG 3.36Å; E878-S881 PolarHBondContact O-N 2.91Å; E878-S881 PolarHBondContact O-OG 3.09Å; I879-S881 PolarHBondContact O-N 3.03Å; S881-Y883 PolarHBondContact O-N 3.42Å; S881-G884 WeakPolarHBondContact O-CA 3.41Å; S881-G884 PolarHBondContact O-N 3.17Å
882	S	86.4	Confident	72.5	Confident	44 Å²	44	70.8 Å²	70.8	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-25.2	175.3	78	0	0	0	0	113.6	E878 I879 K880 G884 D885 L886	E878-S882 PolarHBondContact O-N 3.28Å; I879-S882 PolarHBondContact O-N 3.4Å; I879-S882 PolarHBondContact O-OG 3.07Å; K880-S882 VanDerWaalsContact C-N 3.33Å; S882-G884 PolarHBondContact O-N 3.47Å; S882-D885 PolarHBondContact O-N 3.37Å; S882-L886 PolarHBondContact O-N 3.2Å
883	Y	76.7	Confident	69.7	Low	16 Å²	16	72.2 Å²	72.2	6%	0.063	40%	0.395	C	S	.	.	H	α-helix	trans	-76.6	-3.4	169.9	-68	-76.6	0	0	0	114	R714 R717 V718 L721 T848 I879 K880 S881	R714-Y883 HydrophobicContact CG-CD1 3.76Å; R714-Y883 HydrophobicContact CG-CE1 4.44Å; R714-Y883 PolarHBondContact NE-O 2.99Å; R714-Y883 PolarHBondContact NH2-O 3.38Å; R717-Y883 HydrophobicContact CB-CE1 4.36Å; R717-Y883 WeakPolarHBondContact CD-OH 2.94Å; V718-Y883 HydrophobicContact CG2-CD2 4.33Å; V718-Y883 HydrophobicContact CG2-CG 3.92Å; L721-Y883 HydrophobicContact CD1-CD2 3.76Å; L721-Y883 HydrophobicContact CD1-CE2 3.49Å; L721-Y883 VanDerWaalsContact CD1-CE2 3.49Å; T848-Y883 WeakPolarHBondContact CG2-OH 3.31Å; I879-Y883 HydrophobicContact CG2-CE2 3.98Å; I879-Y883 WeakPolarHBondContact O-CD2 3.29Å; K880-Y883 PolarHBondContact O-N 3.18Å; S881-Y883 PolarHBondContact O-N 3.42Å
884	G	60.7	Low	67	Low	60 Å²	60	78.6 Å²	78.6	62%	0.619	42%	0.421	S	S	*	.	H	α-helix	trans	-81.4	-34.2	164.2	0	0	0	0	0	112.3	S881 S882	S881-G884 WeakPolarHBondContact O-CA 3.41Å; S881-G884 PolarHBondContact O-N 3.17Å; S882-G884 PolarHBondContact O-N 3.47Å
885	D	54.3	Low	64.2	Low	140 Å²	140	77.6 Å²	77.6	75%	0.749	43%	0.427	S	S	*	.	H	α-helix	trans	-108.8	-23.2	-160.3	-66.7	-31.9	0	0	0	115.6	S882	S882-D885 PolarHBondContact O-N 3.37Å
886	L	40.4	Very low	61.5	Low	111 Å²	111	79.4 Å²	79.4	58%	0.581	43%	0.434	S	S	*	.			trans	-123.4	134.4	-169.9	-67.5	168.1	0	0	0	113.3	R714 S882 E888	R714-L886 VanDerWaalsContact CZ-O 3.24Å; R714-L886 PolarHBondContact NH1-O 3.05Å; R714-L886 PolarHBondContact NH2-O 2.77Å; S882-L886 PolarHBondContact O-N 3.2Å; L886-E888 PolarHBondContact O-N 3.24Å
887	K	41.9	Very low	59.1	Low	196 Å²	196	81.2 Å²	81.2	85%	0.852	45%	0.445	S	S	*	.			trans	-76.4	104.9	156.4	-74.3	-176.2	176	-176	0	107.1	N889	K887-N889 PolarHBondContact O-N 2.97Å
888	E	43.6	Very low	56.6	Low	89 Å²	89	82.7 Å²	82.7	42%	0.416	45%	0.447	S	S	.	.			trans	-64.9	125.6	166.2	-81.4	-172	148.7	0	0	108	R717 L886 N890	R717-E888 IonicContact NH1-OE2 2.76Å; R717-E888 PolarHBondContact NH1-OE2 3.3Å; L886-E888 PolarHBondContact O-N 3.24Å; E888-N890 PolarHBondContact O-N 2.98Å; E888-N890 VanDerWaalsContact O-N 3.07Å
889	N	41.5	Very low	53.9	Low	133 Å²	133	80.4 Å²	80.4	71%	0.711	44%	0.438	S	S	*	.			trans	-73.5	93.2	169.4	-77.8	-10.3	0	0	0	108.5	K887 D891	K887-N889 PolarHBondContact O-N 2.97Å; N889-D891 PolarHBondContact O-N 2.81Å
890	N	43	Very low	51.3	Low	43 Å²	43	84.9 Å²	84.9	23%	0.23	46%	0.46	C	S	.	.			trans	-75.7	70.2	164.8	-78.8	-20.6	0	0	0	109.6	D710 E888 S892	D710-N890 VanDerWaalsContact OD1-CB 3.32Å; D710-N890 WeakPolarHBondContact OD1-CB 3.39Å; D710-N890 PolarHBondContact OD1-ND2 2.76Å; E888-N890 PolarHBondContact O-N 2.98Å; E888-N890 VanDerWaalsContact O-N 3.07Å; N890-S892 PolarHBondContact O-N 3.48Å
891	D	40.1	Very low	49.3	Very low	133 Å²	133	84.8 Å²	84.8	71%	0.711	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.5	-179.6	-83.3	-28.2	0	0	0	113.3	N889	N889-D891 PolarHBondContact O-N 2.81Å
892	S	43.8	Very low	47.1	Very low	66 Å²	66	89.6 Å²	89.6	46%	0.462	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-39.8	-178.9	58.8	0	0	0	0	114.3	E688 N890	E688-S892 PolarHBondContact OE1-OG 3.39Å; E688-S892 PolarHBondContact OE2-OG 3.02Å; N890-S892 PolarHBondContact O-N 3.48Å
893	M	40.5	Very low	44.8	Very low	30 Å²	30	94 Å²	94	15%	0.148	49%	0.49	C	S	.	.	H	α-helix	trans	-85.9	-31.2	-169.2	-148.7	-170.3	-168.5	0	0	114	L708 I713 Y845 G895 Y896 V897	L708-M893 HydrophobicContact CB-CE 3.94Å; L708-M893 HydrophobicContact CB-SD 4.34Å; L708-M893 HydrophobicContact CD1-CE 3.76Å; L708-M893 HydrophobicContact CD2-CE 4.25Å; L708-M893 HydrophobicContact CG-CE 4.2Å; I713-M893 HydrophobicContact CD1-SD 4.23Å; Y845-M893 HydrophobicContact CE2-CE 4.38Å; Y845-M893 WeakPolarHBondContact OH-CE 3.25Å; Y845-M893 PolarHBondContact OH-SD 2.92Å; M893-G895 PolarHBondContact O-N 3.47Å; M893-Y896 PolarHBondContact O-N 2.63Å; M893-V897 HydrophobicContact CG-CG2 4.41Å; M893-V897 PolarHBondContact O-N 2.91Å
894	K	41.1	Very low	43.1	Very low	148 Å²	148	102.2 Å²	102.2	64%	0.643	53%	0.529	S	S	*	.	H	α-helix	trans	-54.3	-38.4	172.5	-168.5	173.8	-176.6	177.3	0	110.7	Y896 D898	K894-Y896 VanDerWaalsContact C-N 3.35Å; K894-Y896 PolarHBondContact O-N 3.34Å; K894-D898 VanDerWaalsContact O-CB 3.23Å; K894-D898 WeakPolarHBondContact O-CB 3.34Å; K894-D898 PolarHBondContact O-N 3.5Å
895	G	39.5	Very low	42	Very low	46 Å²	46	106.8 Å²	106.8	47%	0.474	54%	0.54	S	S	.	.	H	α-helix	trans	-64.8	-30.2	176.7	0	0	0	0	0	115	M893 L899	M893-G895 PolarHBondContact O-N 3.47Å; G895-L899 PolarHBondContact O-N 3.49Å
896	Y	40.4	Very low	41.4	Very low	98 Å²	98	108.3 Å²	108.3	38%	0.384	54%	0.536	S	S	.	.	H	α-helix	trans	-101.3	-33.3	-172.5	-150.5	-90.1	0	0	0	114.2	M893 K894 D898 L899 M900	M893-Y896 PolarHBondContact O-N 2.63Å; K894-Y896 VanDerWaalsContact C-N 3.35Å; K894-Y896 PolarHBondContact O-N 3.34Å; Y896-D898 PolarHBondContact O-N 3.13Å; Y896-L899 HydrophobicContact CD2-CB 4.26Å; Y896-L899 HydrophobicContact CD2-CD2 4.15Å; Y896-L899 HydrophobicContact CE2-CD2 3.7Å; Y896-L899 HydrophobicContact CG-CB 4.33Å; Y896-L899 CarbonylContact O-C 3.56Å; Y896-L899 WeakPolarHBondContact O-CA 3.24Å; Y896-L899 WeakPolarHBondContact O-CB 3.41Å; Y896-L899 PolarHBondContact O-N 3.31Å; Y896-M900 HydrophobicContact CD1-CG 3.84Å; Y896-M900 HydrophobicContact CE1-CG 3.83Å; Y896-M900 HydrophobicContact CE1-SD 3.93Å; Y896-M900 WeakPolarHBondContact O-CG 3.31Å; Y896-M900 PolarHBondContact O-N 3.32Å
897	V	46.5	Very low	41	Very low	38 Å²	38	109.4 Å²	109.4	23%	0.23	54%	0.542	C	S	.	.	H	α-helix	trans	-57.4	-41	163.7	172.1	0	0	0	0	108.9	K705 M893 L899 M900 L901	K705-V897 HydrophobicContact CD-CG1 4.44Å; K705-V897 HydrophobicContact CG-CG1 3.61Å; M893-V897 HydrophobicContact CG-CG2 4.41Å; M893-V897 PolarHBondContact O-N 2.91Å; V897-L899 VanDerWaalsContact C-N 3.26Å; V897-L899 PolarHBondContact O-N 3.5Å; V897-M900 PolarHBondContact O-N 3.47Å; V897-L901 HydrophobicContact CG1-CD1 4.3Å; V897-L901 VanDerWaalsContact O-CD1 3.3Å; V897-L901 WeakPolarHBondContact O-CD1 3.4Å; V897-L901 WeakPolarHBondContact O-CG 3.47Å; V897-L901 PolarHBondContact O-N 3.3Å
898	D	41.6	Very low	40.6	Very low	74 Å²	74	107 Å²	107	40%	0.396	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-26.7	172.1	-73.5	-13.3	0	0	0	113.6	K894 Y896 K902	K894-D898 VanDerWaalsContact O-CB 3.23Å; K894-D898 WeakPolarHBondContact O-CB 3.34Å; K894-D898 PolarHBondContact O-N 3.5Å; Y896-D898 PolarHBondContact O-N 3.13Å; D898-K902 WeakPolarHBondContact O-CD 3.3Å; D898-K902 VanDerWaalsContact O-CG 3.3Å; D898-K902 WeakPolarHBondContact O-CG 3.35Å
899	L	38.8	Very low	40.2	Very low	78 Å²	78	107.7 Å²	107.7	41%	0.408	55%	0.546	S	S	.	.	H	α-helix	trans	-79.3	-42.8	178	-156.8	119.1	0	0	0	112	G895 Y896 V897 L901 K902	G895-L899 PolarHBondContact O-N 3.49Å; Y896-L899 HydrophobicContact CD2-CB 4.26Å; Y896-L899 HydrophobicContact CD2-CD2 4.15Å; Y896-L899 HydrophobicContact CE2-CD2 3.7Å; Y896-L899 HydrophobicContact CG-CB 4.33Å; Y896-L899 CarbonylContact O-C 3.56Å; Y896-L899 WeakPolarHBondContact O-CA 3.24Å; Y896-L899 WeakPolarHBondContact O-CB 3.41Å; Y896-L899 PolarHBondContact O-N 3.31Å; V897-L899 VanDerWaalsContact C-N 3.26Å; V897-L899 PolarHBondContact O-N 3.5Å; L899-L901 PolarHBondContact O-N 3.45Å; L899-K902 PolarHBondContact O-N 2.9Å; L899-K902 VanDerWaalsContact O-N 3.14Å
900	M	37.2	Very low	39.7	Very low	111 Å²	111	111.7 Å²	111.7	55%	0.547	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-29	176.1	-70.5	-70.6	-72.7	0	0	112.3	Y896 V897 K902	Y896-M900 HydrophobicContact CD1-CG 3.84Å; Y896-M900 HydrophobicContact CE1-CG 3.83Å; Y896-M900 HydrophobicContact CE1-SD 3.93Å; Y896-M900 WeakPolarHBondContact O-CG 3.31Å; Y896-M900 PolarHBondContact O-N 3.32Å; V897-M900 PolarHBondContact O-N 3.47Å; M900-K902 VanDerWaalsContact C-N 3.34Å
901	L	47.4	Very low	39.2	Very low	59 Å²	59	116.3 Å²	116.3	31%	0.309	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-20.5	174.7	-68.6	164.2	0	0	0	114.6	K705 V897 L899	K705-L901 HydrophobicContact CD-CD1 4.46Å; K705-L901 HydrophobicContact CD-CD2 4.11Å; K705-L901 VanDerWaalsContact CE-CG 3.46Å; V897-L901 HydrophobicContact CG1-CD1 4.3Å; V897-L901 VanDerWaalsContact O-CD1 3.3Å; V897-L901 WeakPolarHBondContact O-CD1 3.4Å; V897-L901 WeakPolarHBondContact O-CG 3.47Å; V897-L901 PolarHBondContact O-N 3.3Å; L899-L901 PolarHBondContact O-N 3.45Å
902	K	43.7	Very low	38.9	Very low	168 Å²	168	120 Å²	120	73%	0.73	58%	0.576	S	S	*	*	S	Bend	trans	-85.9	-12.2	-175.4	-79.9	174	-178	174.7	0	113.2	D898 L899 M900	D898-K902 WeakPolarHBondContact O-CD 3.3Å; D898-K902 VanDerWaalsContact O-CG 3.3Å; D898-K902 WeakPolarHBondContact O-CG 3.35Å; L899-K902 PolarHBondContact O-N 2.9Å; L899-K902 VanDerWaalsContact O-N 3.14Å; M900-K902 VanDerWaalsContact C-N 3.34Å
903	H	38.5	Very low	38.2	Very low	137 Å²	137	125 Å²	125	63%	0.634	60%	0.597	S	S	*	*			trans	-113.2	93.3	-179.3	-73.1	-52.5	0	0	0	110.6	D905	H903-D905 VanDerWaalsContact C-N 3.27Å
904	E	40.8	Very low	37.6	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	64%	0.641	S	S	*	*			trans	-78.9	-5.2	172.8	-73.2	-169.8	154.1	0	0	113.5	Y906	E904-Y906 PolarHBondContact O-N 3.37Å
905	D	37.3	Very low	37.4	Very low	157 Å²	157	133.9 Å²	133.9	84%	0.84	64%	0.641	S	S	*	*			trans	-96.3	82.1	-176.9	-63.8	-39.2	0	0	0	111.5	H903	H903-D905 VanDerWaalsContact C-N 3.27Å
906	Y	41.6	Very low	37.3	Very low	172 Å²	172	138.5 Å²	138.5	68%	0.675	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-102	123.5	175.9	-147.4	-90.2	0	0	0	111.7	E904	E904-Y906 PolarHBondContact O-N 3.37Å
907	L	32.1	Very low	37.2	Very low	133 Å²	133	140.7 Å²	140.7	70%	0.696	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-89.1	139.5	177.8	-75.5	161	0	0	0	111.3
908	E	33.3	Very low	36.6	Very low	147 Å²	147	146.8 Å²	146.8	69%	0.687	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-68	143.9	179.1	-84.6	-162.3	162.8	0	0	113.5	R910 Q911	E908-R910 PolarHBondContact O-N 3.31Å; E908-Q911 PolarHBondContact O-N 3.28Å
909	P	35.8	Very low	36.3	Very low	102 Å²	102	151.3 Å²	151.3	66%	0.662	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-62.3	-12.2	-176	-23.5	33	0	0	0	116.5	Q911 Y912	P909-Q911 PolarHBondContact O-N 3.1Å; P909-Y912 PolarHBondContact O-N 3.02Å
910	R	30.6	Very low	36.1	Very low	218 Å²	218	156.2 Å²	156.2	82%	0.823	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-66.9	-15.5	-179.1	-82.9	-175.8	173.1	175.9	-0.1	113.8	E908	E908-R910 PolarHBondContact O-N 3.31Å
911	Q	33	Very low	36.1	Very low	140 Å²	140	159.4 Å²	159.4	65%	0.654	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-86.9	-5.8	-179.8	-72.4	-174.1	-20	0	0	115	E908 P909	E908-Q911 PolarHBondContact O-N 3.28Å; P909-Q911 PolarHBondContact O-N 3.1Å
912	Y	33.3	Very low	35.2	Very low	210 Å²	210	167.2 Å²	167.2	82%	0.824	77%	0.774	S	S	*	*	S	Bend	trans	-105.2	-7.1	-178.5	-106.7	-78.8	0	0	0	115.6	P909 H914	P909-Y912 PolarHBondContact O-N 3.02Å; Y912-H914 VanDerWaalsContact C-N 3.32Å
913	L	30.1	Very low	34.5	Very low	172 Å²	172	167.1 Å²	167.1	90%	0.901	78%	0.778	S	S	*	*			trans	-90.3	2.4	174.8	-109.1	150.7	0	0	0	113.2
914	H	27.4	Very low	34.1	Very low	229 Å²	229	169.8 Å²	169.8	100%	1.06	79%	0.791	S	S	*	*			trans	-110.1	0	177.4	-150.1	-33.8	0	0	0	110.5	Y912	Y912-H914 VanDerWaalsContact C-N 3.32Å

Retrieved 914 of 914 residues in 997.7 ms (Link to these results)

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