A0A077YX01_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YX01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 698 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	59.8	Low	184 Å²	184	148.5 Å²	148.5	91%	0.906	65%	0.651	S	S	*	*				0	-90.8	0	-61.7	-160.4	71.3	0	0	111.7	K3 E4	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.29Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-E4 PolarHBondContact N-OE2 2.82Å; M1-E4 PolarHBondContact O-N 3.03Å
2	F	42.1	Very low	60.4	Low	182 Å²	182	149 Å²	149	80%	0.798	65%	0.653	S	S	*	*	H	α-helix	trans	-62.1	-27.5	-176.4	-97	-80.9	0	0	0	116.2
3	K	54.8	Low	60.4	Low	186 Å²	186	147.2 Å²	147.2	81%	0.809	65%	0.648	S	S	*	*	H	α-helix	trans	-83.9	-13.5	175.7	-75.1	-173.5	175.7	-178.2	0	114.7	M1	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.29Å; M1-K3 VanDerWaalsContact O-N 3.17Å
4	E	60.2	Low	59.8	Low	134 Å²	134	142.1 Å²	142.1	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-84.9	-37.5	178.3	-81.6	162.4	138.3	0	0	111.5	M1 Y7 E8	M1-E4 PolarHBondContact N-OE2 2.82Å; M1-E4 PolarHBondContact O-N 3.03Å; E4-Y7 PolarHBondContact O-N 2.75Å; E4-E8 PolarHBondContact O-N 3.06Å; E4-E8 VanDerWaalsContact O-N 3.12Å
5	E	64.5	Low	59.2	Low	120 Å²	120	136.9 Å²	136.9	56%	0.561	63%	0.632	S	S	*	*	H	α-helix	trans	-64.5	-42.6	177.5	-73.5	178.7	161	0	0	112.1	Y7 E8 Q9	E5-Y7 VanDerWaalsContact C-N 3.26Å; E5-Y7 PolarHBondContact O-N 2.7Å; E5-E8 PolarHBondContact O-N 2.86Å; E5-Q9 WeakPolarHBondContact O-CB 3.22Å; E5-Q9 PolarHBondContact O-N 3.24Å
6	E	64.2	Low	58.5	Low	110 Å²	110	132.7 Å²	132.7	51%	0.514	63%	0.629	S	S	.	*	H	α-helix	trans	-61.1	-32.8	175.4	-101.6	-163	120.3	0	0	113.1	R10	E6-R10 WeakPolarHBondContact O-CG 3.41Å; E6-R10 PolarHBondContact O-N 3.36Å; E6-R10 IonicContact OE1-NH2 3.99Å; E6-R10 PolarHBondContact OE1-NH2 3.48Å
7	Y	62.3	Low	57.7	Low	166 Å²	166	131.5 Å²	131.5	65%	0.651	63%	0.632	S	S	*	*	H	α-helix	trans	-75.7	-39.7	179.7	-173.5	-98	0	0	0	111.9	E4 E5 Q9 R11	E4-Y7 PolarHBondContact O-N 2.75Å; E5-Y7 VanDerWaalsContact C-N 3.26Å; E5-Y7 PolarHBondContact O-N 2.7Å; Y7-Q9 VanDerWaalsContact C-N 3.33Å; Y7-R11 WeakPolarHBondContact O-CB 3.49Å; Y7-R11 PolarHBondContact O-N 3.28Å
8	E	66.9	Low	56.7	Low	121 Å²	121	133.7 Å²	133.7	57%	0.565	64%	0.642	S	S	*	*	H	α-helix	trans	-67.4	-33.4	174.4	-82.2	-175.9	153.5	0	0	112.7	E4 E5 R11 K12	E4-E8 PolarHBondContact O-N 3.06Å; E4-E8 VanDerWaalsContact O-N 3.12Å; E5-E8 PolarHBondContact O-N 2.86Å; E8-R11 PolarHBondContact O-N 3.23Å; E8-K12 WeakPolarHBondContact O-CG 3.04Å; E8-K12 PolarHBondContact O-N 3.2Å; E8-K12 VanDerWaalsContact O-N 3.08Å
9	Q	65.6	Low	55.8	Low	124 Å²	124	135.5 Å²	135.5	58%	0.579	65%	0.649	S	S	*	*	H	α-helix	trans	-69.7	-45.9	177.7	-142.6	146	-12.7	0	0	111.5	E5 Y7 R11 K12 E13	E5-Q9 WeakPolarHBondContact O-CB 3.22Å; E5-Q9 PolarHBondContact O-N 3.24Å; Y7-Q9 VanDerWaalsContact C-N 3.33Å; Q9-R11 VanDerWaalsContact C-N 3.29Å; Q9-R11 PolarHBondContact O-N 3.13Å; Q9-K12 PolarHBondContact O-N 2.9Å; Q9-E13 WeakPolarHBondContact O-CG 3.44Å; Q9-E13 PolarHBondContact O-N 3.08Å
10	R	66.3	Low	54.9	Low	160 Å²	160	137.7 Å²	137.7	60%	0.604	66%	0.658	S	S	*	*	H	α-helix	trans	-63.7	-32.5	173.7	-70.2	-175.8	-157.7	-148.1	4.8	113	E6 E13 S14	E6-R10 WeakPolarHBondContact O-CG 3.41Å; E6-R10 PolarHBondContact O-N 3.36Å; E6-R10 IonicContact OE1-NH2 3.99Å; E6-R10 PolarHBondContact OE1-NH2 3.48Å; R10-E13 PolarHBondContact O-N 2.98Å; R10-S14 VanDerWaalsContact O-CB 3.3Å; R10-S14 WeakPolarHBondContact O-CB 3.45Å; R10-S14 PolarHBondContact O-N 3.14Å
11	R	63.9	Low	53.9	Low	146 Å²	146	135.7 Å²	135.7	55%	0.551	66%	0.659	S	S	*	*	H	α-helix	trans	-68.6	-36.1	175.4	-171.2	178.6	170.3	175.7	-2.1	112.2	Y7 E8 Q9 A15	Y7-R11 WeakPolarHBondContact O-CB 3.49Å; Y7-R11 PolarHBondContact O-N 3.28Å; E8-R11 PolarHBondContact O-N 3.23Å; Q9-R11 VanDerWaalsContact C-N 3.29Å; Q9-R11 PolarHBondContact O-N 3.13Å; R11-A15 WeakPolarHBondContact O-CB 3.24Å; R11-A15 PolarHBondContact O-N 3.02Å; R11-A15 VanDerWaalsContact O-N 3.14Å
12	K	67.3	Low	53.4	Low	155 Å²	155	136.2 Å²	136.2	67%	0.674	66%	0.657	S	S	*	*	H	α-helix	trans	-70.8	-37	174.3	-73.2	175.6	-177.6	173.5	0	112	E8 Q9 A15 A16	E8-K12 WeakPolarHBondContact O-CG 3.04Å; E8-K12 PolarHBondContact O-N 3.2Å; E8-K12 VanDerWaalsContact O-N 3.08Å; Q9-K12 PolarHBondContact O-N 2.9Å; K12-A15 PolarHBondContact O-N 3.23Å; K12-A16 PolarHBondContact O-N 3.07Å
13	E	60.7	Low	53.1	Low	126 Å²	126	134.8 Å²	134.8	59%	0.589	66%	0.658	S	S	*	*	H	α-helix	trans	-71	-36.5	176.3	-70.7	172.6	176.3	0	0	112.9	Q9 R10 T17	Q9-E13 WeakPolarHBondContact O-CG 3.44Å; Q9-E13 PolarHBondContact O-N 3.08Å; R10-E13 PolarHBondContact O-N 2.98Å; E13-T17 PolarHBondContact O-OG1 3.27Å
14	S	51.5	Low	52.2	Low	75 Å²	75	134 Å²	134	52%	0.524	66%	0.66	S	S	.	*	H	α-helix	trans	-70.2	-31.2	173.7	162.8	0	0	0	0	113.4	R10 T17	R10-S14 VanDerWaalsContact O-CB 3.3Å; R10-S14 WeakPolarHBondContact O-CB 3.45Å; R10-S14 PolarHBondContact O-N 3.14Å; S14-T17 PolarHBondContact O-OG1 3.26Å
15	A	50.9	Low	51.1	Low	64 Å²	64	134.4 Å²	134.4	53%	0.529	67%	0.672	S	S	.	*	H	α-helix	trans	-78.2	-25.4	177.4	0	0	0	0	0	112.8	R11 K12 T17	R11-A15 WeakPolarHBondContact O-CB 3.24Å; R11-A15 PolarHBondContact O-N 3.02Å; R11-A15 VanDerWaalsContact O-N 3.14Å; K12-A15 PolarHBondContact O-N 3.23Å; A15-T17 VanDerWaalsContact C-N 3.35Å
16	A	48	Very low	49.7	Very low	70 Å²	70	133.9 Å²	133.9	58%	0.579	68%	0.68	S	S	*	*	H	α-helix	trans	-78.8	-15.6	179.2	0	0	0	0	0	113.8	K12	K12-A16 PolarHBondContact O-N 3.07Å
17	T	44.5	Very low	48.3	Very low	112 Å²	112	136 Å²	136	69%	0.687	69%	0.694	S	S	*	*	S	Bend	trans	-95.5	-5	-173.6	31.6	0	0	0	0	114.7	E13 S14 A15	E13-T17 PolarHBondContact O-OG1 3.27Å; S14-T17 PolarHBondContact O-OG1 3.26Å; A15-T17 VanDerWaalsContact C-N 3.35Å
18	E	40.4	Very low	47.3	Very low	172 Å²	172	136.4 Å²	136.4	80%	0.804	70%	0.702	S	S	*	*	S	Bend	trans	-104.1	-1.3	-179.9	-75	-169.5	159.7	0	0	115
19	E	40.2	Very low	46.1	Very low	167 Å²	167	136.5 Å²	136.5	78%	0.78	72%	0.716	S	S	*	*	S	Bend	trans	-98.9	-2.2	-176.9	-75.5	-164.7	149.3	0	0	115.9
20	E	36.4	Very low	45.2	Very low	179 Å²	179	138.1 Å²	138.1	84%	0.836	72%	0.721	S	S	*	*	S	Bend	trans	-120.7	79.2	-179	-68.1	-173.5	164	0	0	112.6
21	S	35.3	Very low	44.7	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	72%	0.721	S	S	*	*			trans	-175.3	46.8	160.4	50.5	0	0	0	0	115.2
22	F	36	Very low	44.3	Very low	195 Å²	195	131.7 Å²	131.7	86%	0.855	73%	0.726	S	S	*	*			trans	-150.6	119	163.2	-92.9	-81.3	0	0	0	111.4
23	D	34.7	Very low	43.8	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	73%	0.725	S	S	*	*			trans	129.4	80.4	152.5	-66.5	-19.3	0	0	0	114.6
24	I	37.5	Very low	43.5	Very low	169 Å²	169	127 Å²	127	87%	0.867	72%	0.72	S	S	*	*			trans	-142.1	95.5	149.9	-55.2	178.5	0	0	0	108.2
25	V	36.1	Very low	44.1	Very low	143 Å²	143	129.4 Å²	129.4	87%	0.867	72%	0.723	S	S	*	*			trans	-158.7	110.2	137.2	179.4	0	0	0	0	106.8
26	C	35.6	Very low	45.1	Very low	108 Å²	108	129.2 Å²	129.2	73%	0.73	72%	0.718	S	S	*	*			trans	-82.6	129.9	172.4	-110.5	0	0	0	0	110.9
27	L	33.9	Very low	46.2	Very low	156 Å²	156	132 Å²	132	82%	0.817	72%	0.719	S	S	*	*			trans	61.5	91.3	132.3	-58.4	168.8	0	0	0	118.1
28	Q	41.2	Very low	47.6	Very low	173 Å²	173	130.4 Å²	130.4	81%	0.808	71%	0.705	S	S	*	*			trans	-119.2	140.9	137.3	-72.8	-171.4	-19	0	0	108.4	F30	Q28-F30 WeakPolarHBondContact O-CD2 3.14Å; Q28-F30 PolarHBondContact O-N 2.67Å
29	S	42.8	Very low	49.3	Very low	123 Å²	123	126.2 Å²	126.2	86%	0.86	69%	0.688	S	S	*	*			trans	-56.5	122	-172.1	47	0	0	0	0	113.4
30	F	45.6	Very low	51	Low	159 Å²	159	125.2 Å²	125.2	70%	0.697	68%	0.682	S	S	*	*			trans	-116.1	149.5	170.4	-75.7	-84.1	0	0	0	111.2	Q28 E34	Q28-F30 WeakPolarHBondContact O-CD2 3.14Å; Q28-F30 PolarHBondContact O-N 2.67Å; F30-E34 WeakPolarHBondContact CD1-OE2 3.39Å
31	P	56.4	Low	52.7	Low	91 Å²	91	125.4 Å²	125.4	59%	0.591	68%	0.675	S	S	*	*			trans	-69.5	145.4	-173.4	-10.4	26.2	0	0	0	112.1	A33 E34	P31-A33 PolarHBondContact O-N 2.87Å; P31-E34 PolarHBondContact O-N 3.2Å
32	A	56.2	Low	54.5	Low	80 Å²	80	128.3 Å²	128.3	66%	0.661	67%	0.671	S	S	*	*	H	α-helix	trans	-52.8	-16.8	-173.4	0	0	0	0	0	116.5
33	A	55.6	Low	56.3	Low	80 Å²	80	121.4 Å²	121.4	66%	0.661	65%	0.649	S	S	*	*	H	α-helix	trans	-74.1	-33.7	177.1	0	0	0	0	0	113.5	P31	P31-A33 PolarHBondContact O-N 2.87Å
34	E	55.1	Low	58	Low	102 Å²	102	123.3 Å²	123.3	48%	0.477	65%	0.645	S	S	.	*	H	α-helix	trans	-75.1	-31.3	177.3	-89.8	-173.1	140.2	0	0	112.1	F30 P31 S36 Q37 I38	F30-E34 WeakPolarHBondContact CD1-OE2 3.39Å; P31-E34 PolarHBondContact O-N 3.2Å; E34-S36 VanDerWaalsContact C-N 3.29Å; E34-S36 PolarHBondContact O-N 2.82Å; E34-Q37 PolarHBondContact O-N 3.09Å; E34-Q37 VanDerWaalsContact O-N 3.13Å; E34-I38 WeakPolarHBondContact O-CG1 3.36Å; E34-I38 PolarHBondContact O-N 3.19Å
35	E	63	Low	59.3	Low	125 Å²	125	122.1 Å²	122.1	58%	0.584	63%	0.634	S	S	*	*	H	α-helix	trans	-63.2	-35.7	178.8	-152.5	175.4	-165.1	0	0	111.9	I38 N39	E35-I38 PolarHBondContact O-N 2.91Å; E35-N39 VanDerWaalsContact O-CB 3.24Å; E35-N39 WeakPolarHBondContact O-CB 3.26Å; E35-N39 PolarHBondContact O-N 3.36Å; E35-N39 PolarHBondContact O-ND2 3.14Å
36	S	71.8	Confident	60.6	Low	61 Å²	61	124.5 Å²	124.5	43%	0.427	63%	0.627	S	S	.	*	H	α-helix	trans	-64	-41.3	173.2	-179.5	0	0	0	0	112.8	E34 K40	E34-S36 VanDerWaalsContact C-N 3.29Å; E34-S36 PolarHBondContact O-N 2.82Å; S36-K40 WeakPolarHBondContact O-CG 3.44Å; S36-K40 PolarHBondContact O-N 2.93Å
37	Q	72.1	Confident	61.7	Low	128 Å²	128	126.7 Å²	126.7	60%	0.598	62%	0.624	S	S	*	*	H	α-helix	trans	-71.8	-40.1	177.1	-73.3	-157.6	7.9	0	0	112.4	E34 N39 K40 R41	E34-Q37 PolarHBondContact O-N 3.09Å; E34-Q37 VanDerWaalsContact O-N 3.13Å; Q37-N39 VanDerWaalsContact C-N 3.34Å; Q37-K40 PolarHBondContact O-N 3.35Å; Q37-R41 PolarHBondContact O-N 3.44Å
38	I	73.3	Confident	62.6	Low	78 Å²	78	124.8 Å²	124.8	40%	0.4	61%	0.611	S	S	.	*	H	α-helix	trans	-63.1	-42.2	175.1	-69.5	163.2	0	0	0	110.1	E34 E35 R41 R42	E34-I38 WeakPolarHBondContact O-CG1 3.36Å; E34-I38 PolarHBondContact O-N 3.19Å; E35-I38 PolarHBondContact O-N 2.91Å; I38-R41 PolarHBondContact O-N 2.79Å; I38-R42 HydrophobicContact CG2-CG 4.32Å; I38-R42 WeakPolarHBondContact O-CB 3.45Å; I38-R42 WeakPolarHBondContact O-CG 3.49Å; I38-R42 PolarHBondContact O-N 2.85Å
39	N	75.9	Confident	63.2	Low	84 Å²	84	124 Å²	124	45%	0.449	61%	0.605	S	S	.	*	H	α-helix	trans	-65.1	-38.5	175.6	-76.9	-26.9	0	0	0	112.5	E35 Q37 R42 A43	E35-N39 VanDerWaalsContact O-CB 3.24Å; E35-N39 WeakPolarHBondContact O-CB 3.26Å; E35-N39 PolarHBondContact O-N 3.36Å; E35-N39 PolarHBondContact O-ND2 3.14Å; Q37-N39 VanDerWaalsContact C-N 3.34Å; N39-R42 PolarHBondContact O-N 2.78Å; N39-A43 VanDerWaalsContact O-CB 3.27Å; N39-A43 WeakPolarHBondContact O-CB 3.32Å; N39-A43 PolarHBondContact O-N 2.89Å
40	K	77.1	Confident	63.5	Low	147 Å²	147	126.1 Å²	126.1	64%	0.639	60%	0.599	S	S	*	*	H	α-helix	trans	-63.8	-41.5	171.5	-75.4	176.5	-176.3	176.9	0	112.3	S36 Q37 A43 R44	S36-K40 WeakPolarHBondContact O-CG 3.44Å; S36-K40 PolarHBondContact O-N 2.93Å; Q37-K40 PolarHBondContact O-N 3.35Å; K40-A43 PolarHBondContact O-N 3.3Å; K40-R44 PolarHBondContact O-N 3.21Å
41	R	72	Confident	63.6	Low	183 Å²	183	125 Å²	125	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-65.8	-43	175.2	-80.2	-178.5	170	178.1	-1.8	112.1	Q37 I38 R44 K45	Q37-R41 PolarHBondContact O-N 3.44Å; I38-R41 PolarHBondContact O-N 2.79Å; R41-R44 PolarHBondContact O-N 3.09Å; R41-K45 PolarHBondContact O-N 2.86Å
42	R	73.9	Confident	63.3	Low	158 Å²	158	127.1 Å²	127.1	60%	0.596	61%	0.605	S	S	*	*	H	α-helix	trans	-63.7	-39.2	174.5	-75.5	177.9	172.3	-178	-4.3	111.5	I38 N39 K45 R46	I38-R42 HydrophobicContact CG2-CG 4.32Å; I38-R42 WeakPolarHBondContact O-CB 3.45Å; I38-R42 WeakPolarHBondContact O-CG 3.49Å; I38-R42 PolarHBondContact O-N 2.85Å; N39-R42 PolarHBondContact O-N 2.78Å; R42-K45 PolarHBondContact O-N 3.36Å; R42-R46 WeakPolarHBondContact O-CB 3.37Å; R42-R46 WeakPolarHBondContact O-CG 3.41Å; R42-R46 PolarHBondContact O-N 2.82Å
43	A	73.4	Confident	62.5	Low	49 Å²	49	133.3 Å²	133.3	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-66.6	-38.6	174.2	0	0	0	0	0	112.5	N39 K40 R46 K47	N39-A43 VanDerWaalsContact O-CB 3.27Å; N39-A43 WeakPolarHBondContact O-CB 3.32Å; N39-A43 PolarHBondContact O-N 2.89Å; K40-A43 PolarHBondContact O-N 3.3Å; A43-R46 PolarHBondContact O-N 3.31Å; A43-K47 WeakPolarHBondContact O-CG 3.49Å; A43-K47 PolarHBondContact O-N 3.48Å
44	R	69.5	Low	61.9	Low	192 Å²	192	132.4 Å²	132.4	73%	0.725	60%	0.601	S	S	*	*	H	α-helix	trans	-63.2	-49.4	172.2	-113.8	-177.4	178.3	177	-0.4	111.7	K40 R41 R46 K47 E48	K40-R44 PolarHBondContact O-N 3.21Å; R41-R44 PolarHBondContact O-N 3.09Å; R44-R46 VanDerWaalsContact C-N 3.32Å; R44-R46 PolarHBondContact O-N 2.9Å; R44-K47 CarbonylContact O-C 3.53Å; R44-K47 WeakPolarHBondContact O-CB 3.5Å; R44-K47 PolarHBondContact O-N 2.8Å; R44-K47 VanDerWaalsContact O-N 3.09Å; R44-E48 PolarHBondContact O-N 2.87Å
45	K	65.5	Low	61.2	Low	145 Å²	145	131.3 Å²	131.3	63%	0.63	60%	0.598	S	S	*	*	H	α-helix	trans	-62.2	-35.3	175.3	-78	-170.5	173.6	-173.5	0	112.8	R41 R42 E48 K49	R41-K45 PolarHBondContact O-N 2.86Å; R42-K45 PolarHBondContact O-N 3.36Å; K45-E48 PolarHBondContact O-N 2.91Å; K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 PolarHBondContact O-N 3.12Å
46	R	62.5	Low	60.1	Low	192 Å²	192	129.4 Å²	129.4	73%	0.725	60%	0.596	S	S	*	*	H	α-helix	trans	-68.5	-35.7	172.8	-79.8	179.8	175.2	178.4	-0.8	112.1	R42 A43 R44 K50	R42-R46 WeakPolarHBondContact O-CB 3.37Å; R42-R46 WeakPolarHBondContact O-CG 3.41Å; R42-R46 PolarHBondContact O-N 2.82Å; A43-R46 PolarHBondContact O-N 3.31Å; R44-R46 VanDerWaalsContact C-N 3.32Å; R44-R46 PolarHBondContact O-N 2.9Å; R46-K50 VanDerWaalsContact O-CB 3.3Å; R46-K50 WeakPolarHBondContact O-CB 3.46Å; R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 2.72Å
47	K	59.8	Low	58.5	Low	154 Å²	154	132.1 Å²	132.1	67%	0.67	60%	0.6	S	S	*	*	H	α-helix	trans	-69	-40	172.3	-80.1	-177.1	175.2	-176.9	0	111.8	A43 R44 K50 N51	A43-K47 WeakPolarHBondContact O-CG 3.49Å; A43-K47 PolarHBondContact O-N 3.48Å; R44-K47 CarbonylContact O-C 3.53Å; R44-K47 WeakPolarHBondContact O-CB 3.5Å; R44-K47 PolarHBondContact O-N 2.8Å; R44-K47 VanDerWaalsContact O-N 3.09Å; K47-K50 PolarHBondContact O-N 3.15Å; K47-N51 PolarHBondContact O-N 3.08Å
48	E	52.9	Low	57.4	Low	116 Å²	116	130.8 Å²	130.8	54%	0.542	60%	0.597	S	S	.	*	H	α-helix	trans	-65.8	-47.6	173.3	-80.1	171.6	163.9	0	0	111.6	R44 K45 K50 N51 I52	R44-E48 PolarHBondContact O-N 2.87Å; K45-E48 PolarHBondContact O-N 2.91Å; E48-K50 VanDerWaalsContact C-N 3.28Å; E48-K50 PolarHBondContact O-N 3.29Å; E48-N51 CarbonylContact O-C 3.59Å; E48-N51 PolarHBondContact O-N 3.38Å; E48-N51 VanDerWaalsContact O-N 3.09Å; E48-I52 WeakPolarHBondContact O-CD1 3.19Å; E48-I52 WeakPolarHBondContact O-CG1 3.19Å; E48-I52 PolarHBondContact O-N 2.99Å
49	K	52.5	Low	56.5	Low	157 Å²	157	131.3 Å²	131.3	68%	0.683	60%	0.601	S	S	*	*	H	α-helix	trans	-61.9	-32.3	173.8	-80.2	-169.4	173.8	-169.7	0	113	K45 R53	K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 PolarHBondContact O-N 3.12Å; K49-R53 WeakPolarHBondContact O-CG 3.45Å; K49-R53 PolarHBondContact O-N 3.12Å
50	K	50	Low	55.6	Low	168 Å²	168	130.5 Å²	130.5	73%	0.73	60%	0.596	S	S	*	*	H	α-helix	trans	-71.6	-33.7	172.5	-84.5	-174.2	173.6	-173	0	112.8	R46 K47 E48	R46-K50 VanDerWaalsContact O-CB 3.3Å; R46-K50 WeakPolarHBondContact O-CB 3.46Å; R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 2.72Å; K47-K50 PolarHBondContact O-N 3.15Å; E48-K50 VanDerWaalsContact C-N 3.28Å; E48-K50 PolarHBondContact O-N 3.29Å
51	N	46.9	Very low	55	Low	134 Å²	134	130 Å²	130	72%	0.717	59%	0.594	S	S	*	*	H	α-helix	trans	-76.4	-23	173.7	-84.4	0.4	0	0	0	113.2	K47 E48 S54	K47-N51 PolarHBondContact O-N 3.08Å; E48-N51 CarbonylContact O-C 3.59Å; E48-N51 PolarHBondContact O-N 3.38Å; E48-N51 VanDerWaalsContact O-N 3.09Å; N51-S54 PolarHBondContact O-OG 3.02Å
52	I	50.2	Low	54.7	Low	137 Å²	137	124 Å²	124	70%	0.703	58%	0.584	S	S	*	*	H	α-helix	trans	-84.1	-16.5	175.4	-63.6	161.7	0	0	0	111.5	E48 S54	E48-I52 WeakPolarHBondContact O-CD1 3.19Å; E48-I52 WeakPolarHBondContact O-CG1 3.19Å; E48-I52 PolarHBondContact O-N 2.99Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.41Å
53	R	39.7	Very low	54.1	Low	209 Å²	209	120.1 Å²	120.1	79%	0.789	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	20.7	174	-79.4	-174.2	175.1	-177.6	-2	114.1	K49 D55	K49-R53 WeakPolarHBondContact O-CG 3.45Å; K49-R53 PolarHBondContact O-N 3.12Å; R53-D55 PolarHBondContact O-N 3.1Å
54	S	43.8	Very low	53.8	Low	62 Å²	62	122.4 Å²	122.4	43%	0.434	58%	0.575	S	S	.	*			trans	-66.7	106	161.4	52.2	0	0	0	0	107.6	N51 I52 P56	N51-S54 PolarHBondContact O-OG 3.02Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.41Å; S54-P56 WeakPolarHBondContact O-CD 3.35Å; S54-P56 VanDerWaalsContact O-N 3.15Å
55	D	39.4	Very low	53.9	Low	79 Å²	79	115.5 Å²	115.5	42%	0.422	56%	0.559	S	S	.	*			trans	-51.4	118.4	177.4	-168.9	-5.8	0	0	0	109.1	R53 F57 N58	R53-D55 PolarHBondContact O-N 3.1Å; D55-F57 PolarHBondContact O-N 2.99Å; D55-F57 WeakPolarHBondContact OD1-CD2 2.86Å; D55-F57 PolarHBondContact OD1-N 3.03Å; D55-N58 HydrophobicContact CB-CB 4.47Å; D55-N58 WeakPolarHBondContact O-CB 3.44Å; D55-N58 PolarHBondContact O-N 2.93Å
56	P	39.6	Very low	54.1	Low	84 Å²	84	109.8 Å²	109.8	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-52.5	-27.4	-179.6	-25.6	32.5	0	0	0	112.4	S54 L60	S54-P56 WeakPolarHBondContact O-CD 3.35Å; S54-P56 VanDerWaalsContact O-N 3.15Å; P56-L60 WeakPolarHBondContact O-CB 2.84Å; P56-L60 WeakPolarHBondContact O-CD1 3.43Å; P56-L60 VanDerWaalsContact O-CG 3.26Å; P56-L60 WeakPolarHBondContact O-CG 3.47Å; P56-L60 PolarHBondContact O-N 3.36Å
57	F	39.5	Very low	54.3	Low	118 Å²	118	101.2 Å²	101.2	52%	0.518	51%	0.507	S	S	.	.	H	α-helix	trans	-68.3	-28.6	175.5	-72.5	-78.5	0	0	0	114.1	D55 K61	D55-F57 PolarHBondContact O-N 2.99Å; D55-F57 WeakPolarHBondContact OD1-CD2 2.86Å; D55-F57 PolarHBondContact OD1-N 3.03Å; F57-K61 WeakPolarHBondContact O-CB 3.13Å; F57-K61 WeakPolarHBondContact O-CG 3.21Å; F57-K61 PolarHBondContact O-N 3.45Å
58	N	47.4	Very low	55	Low	100 Å²	100	98 Å²	98	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-74.6	-38.7	175.8	-83.7	-22.6	0	0	0	112	D55 K61 A62	D55-N58 HydrophobicContact CB-CB 4.47Å; D55-N58 WeakPolarHBondContact O-CB 3.44Å; D55-N58 PolarHBondContact O-N 2.93Å; N58-K61 PolarHBondContact O-N 3.34Å; N58-A62 WeakPolarHBondContact O-CB 3.47Å; N58-A62 PolarHBondContact O-N 3.2Å
59	D	55.4	Low	56.1	Low	89 Å²	89	99.8 Å²	99.8	48%	0.476	50%	0.501	S	S	.	.	H	α-helix	trans	-66.3	-40.8	174.1	-72.8	-24.6	0	0	0	110.5	K61 A62 E63	D59-K61 PolarHBondContact O-N 3.11Å; D59-A62 PolarHBondContact O-N 3.16Å; D59-E63 WeakPolarHBondContact O-CG 3.37Å; D59-E63 PolarHBondContact O-N 3.19Å
60	L	55.6	Low	56.9	Low	67 Å²	67	92.6 Å²	92.6	35%	0.351	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-44	173.7	-75.8	165.7	0	0	0	112.8	P56 A62 E63 E64	P56-L60 WeakPolarHBondContact O-CB 2.84Å; P56-L60 WeakPolarHBondContact O-CD1 3.43Å; P56-L60 VanDerWaalsContact O-CG 3.26Å; P56-L60 WeakPolarHBondContact O-CG 3.47Å; P56-L60 PolarHBondContact O-N 3.36Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-E63 PolarHBondContact O-N 2.92Å; L60-E64 WeakPolarHBondContact O-CB 3.12Å; L60-E64 VanDerWaalsContact O-CG 3.32Å; L60-E64 WeakPolarHBondContact O-CG 3.31Å; L60-E64 PolarHBondContact O-N 3.17Å
61	K	65.1	Low	57.9	Low	136 Å²	136	87.5 Å²	87.5	59%	0.591	45%	0.447	S	S	*	.	H	α-helix	trans	-64.8	-37.6	175.3	-79.3	179.4	-178.1	176.8	0	112.1	F57 N58 D59 A65	F57-K61 WeakPolarHBondContact O-CB 3.13Å; F57-K61 WeakPolarHBondContact O-CG 3.21Å; F57-K61 PolarHBondContact O-N 3.45Å; N58-K61 PolarHBondContact O-N 3.34Å; D59-K61 PolarHBondContact O-N 3.11Å; K61-A65 VanDerWaalsContact O-CB 3.27Å; K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.13Å
62	A	65	Low	59.2	Low	58 Å²	58	85.6 Å²	85.6	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-66.8	-42	176.7	0	0	0	0	0	111.6	N58 D59 L60 A65 A66	N58-A62 WeakPolarHBondContact O-CB 3.47Å; N58-A62 PolarHBondContact O-N 3.2Å; D59-A62 PolarHBondContact O-N 3.16Å; L60-A62 VanDerWaalsContact C-N 3.33Å; A62-A65 PolarHBondContact O-N 2.92Å; A62-A66 WeakPolarHBondContact O-CB 3.3Å; A62-A66 PolarHBondContact O-N 3.48Å
63	E	63.1	Low	60.4	Low	76 Å²	76	84.8 Å²	84.8	36%	0.355	42%	0.422	S	S	.	.	H	α-helix	trans	-64.2	-44.2	173.6	-74.9	-176.1	169.6	0	0	112	D59 L60 A66 I67	D59-E63 WeakPolarHBondContact O-CG 3.37Å; D59-E63 PolarHBondContact O-N 3.19Å; L60-E63 PolarHBondContact O-N 2.92Å; E63-A66 WeakPolarHBondContact O-CB 3.38Å; E63-A66 PolarHBondContact O-N 2.62Å; E63-A66 VanDerWaalsContact O-N 3.15Å; E63-I67 WeakPolarHBondContact O-CG1 3.45Å; E63-I67 PolarHBondContact O-N 3.42Å
64	E	66.3	Low	61.9	Low	97 Å²	97	75.1 Å²	75.1	45%	0.453	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-45.1	175	-78.1	175	-178.3	0	0	111.6	L60 A66 I67 E68 K582	L60-E64 WeakPolarHBondContact O-CB 3.12Å; L60-E64 VanDerWaalsContact O-CG 3.32Å; L60-E64 WeakPolarHBondContact O-CG 3.31Å; L60-E64 PolarHBondContact O-N 3.17Å; E64-A66 VanDerWaalsContact C-N 3.26Å; E64-A66 PolarHBondContact O-N 2.92Å; E64-I67 PolarHBondContact O-N 3.02Å; E64-E68 WeakPolarHBondContact O-CB 2.89Å; E64-E68 PolarHBondContact O-N 2.82Å; E64-K582 IonicContact OE1-NZ 3.69Å; E64-K582 PolarHBondContact OE1-NZ 2.61Å
65	A	72.4	Confident	63.2	Low	47 Å²	47	72.4 Å²	72.4	39%	0.388	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-33.2	175	0	0	0	0	0	112.1	K61 A62 K69	K61-A65 VanDerWaalsContact O-CB 3.27Å; K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.13Å; A62-A65 PolarHBondContact O-N 2.92Å; A65-K69 VanDerWaalsContact O-CB 3.31Å; A65-K69 WeakPolarHBondContact O-CB 3.39Å; A65-K69 VanDerWaalsContact O-CG 3.23Å; A65-K69 WeakPolarHBondContact O-CG 3.21Å; A65-K69 PolarHBondContact O-N 3.31Å
66	A	68	Low	64.9	Low	25 Å²	25	74.5 Å²	74.5	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-71.9	-44	175.5	0	0	0	0	0	111.9	A62 E63 E64 E68 K69 I70 A541	A62-A66 WeakPolarHBondContact O-CB 3.3Å; A62-A66 PolarHBondContact O-N 3.48Å; E63-A66 WeakPolarHBondContact O-CB 3.38Å; E63-A66 PolarHBondContact O-N 2.62Å; E63-A66 VanDerWaalsContact O-N 3.15Å; E64-A66 VanDerWaalsContact C-N 3.26Å; E64-A66 PolarHBondContact O-N 2.92Å; A66-E68 VanDerWaalsContact C-N 3.31Å; A66-E68 PolarHBondContact O-N 2.64Å; A66-K69 WeakPolarHBondContact O-CB 3.42Å; A66-K69 PolarHBondContact O-N 3.15Å; A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.45Å; A66-I70 PolarHBondContact O-N 3.46Å; A66-A541 WeakPolarHBondContact CB-O 3.5Å
67	I	68	Low	66.6	Low	12 Å²	12	72.9 Å²	72.9	6%	0.062	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-43.2	172.9	-68.7	167.9	0	0	0	110.2	E63 E64 I70 K71 V542 R579	E63-I67 WeakPolarHBondContact O-CG1 3.45Å; E63-I67 PolarHBondContact O-N 3.42Å; E64-I67 PolarHBondContact O-N 3.02Å; I67-I70 WeakPolarHBondContact O-CB 3.49Å; I67-I70 PolarHBondContact O-N 2.81Å; I67-I70 VanDerWaalsContact O-N 3.14Å; I67-K71 HydrophobicContact CG2-CD 4.45Å; I67-K71 WeakPolarHBondContact O-CG 3.36Å; I67-K71 PolarHBondContact O-N 3.35Å; I67-V542 HydrophobicContact CD1-CG2 4.43Å; I67-V542 HydrophobicContact CG1-CG2 3.55Å; I67-R579 WeakPolarHBondContact CG2-O 3.4Å
68	E	73.5	Confident	67.9	Low	87 Å²	87	70.2 Å²	70.2	41%	0.407	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-40.2	179.3	-156.7	58.6	-142.1	0	0	111.4	E64 A66 I70 K71 E72	E64-E68 WeakPolarHBondContact O-CB 2.89Å; E64-E68 PolarHBondContact O-N 2.82Å; A66-E68 VanDerWaalsContact C-N 3.31Å; A66-E68 PolarHBondContact O-N 2.64Å; E68-I70 VanDerWaalsContact C-N 3.26Å; E68-I70 PolarHBondContact O-N 2.95Å; E68-K71 PolarHBondContact O-N 2.79Å; E68-K71 VanDerWaalsContact O-N 3.16Å; E68-K71 VanDerWaalsContact OE2-CD 3.3Å; E68-K71 WeakPolarHBondContact OE2-CD 3.15Å; E68-K71 IonicContact OE2-NZ 3.9Å; E68-K71 PolarHBondContact OE2-NZ 3.38Å; E68-E72 WeakPolarHBondContact O-CB 3.24Å; E68-E72 PolarHBondContact O-N 2.85Å
69	K	76.1	Confident	68.9	Low	154 Å²	154	70.7 Å²	70.7	67%	0.67	34%	0.342	S	S	*	.	H	α-helix	trans	-58.2	-39.1	169.1	-81.6	172.8	-179	175.1	0	111.8	A65 A66 R73	A65-K69 VanDerWaalsContact O-CB 3.31Å; A65-K69 WeakPolarHBondContact O-CB 3.39Å; A65-K69 VanDerWaalsContact O-CG 3.23Å; A65-K69 WeakPolarHBondContact O-CG 3.21Å; A65-K69 PolarHBondContact O-N 3.31Å; A66-K69 WeakPolarHBondContact O-CB 3.42Å; A66-K69 PolarHBondContact O-N 3.15Å; K69-R73 WeakPolarHBondContact O-CB 3.31Å; K69-R73 PolarHBondContact O-N 2.84Å
70	I	69.9	Low	69.8	Low	5 Å²	5	71 Å²	71	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-49.1	174.9	-69.6	168.2	0	0	0	109.7	A66 I67 E68 E72 R73 F74 A541 V542	A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.45Å; A66-I70 PolarHBondContact O-N 3.46Å; I67-I70 WeakPolarHBondContact O-CB 3.49Å; I67-I70 PolarHBondContact O-N 2.81Å; I67-I70 VanDerWaalsContact O-N 3.14Å; E68-I70 VanDerWaalsContact C-N 3.26Å; E68-I70 PolarHBondContact O-N 2.95Å; I70-E72 PolarHBondContact O-N 2.91Å; I70-R73 PolarHBondContact O-N 2.84Å; I70-F74 VanDerWaalsContact CA-CD2 3.49Å; I70-F74 HydrophobicContact CB-CD2 3.88Å; I70-F74 HydrophobicContact CB-CE2 4.23Å; I70-F74 HydrophobicContact CG1-CD2 4.17Å; I70-F74 HydrophobicContact CG1-CE2 4Å; I70-F74 HydrophobicContact CG2-CD2 3.57Å; I70-F74 HydrophobicContact CG2-CE2 4.17Å; I70-F74 WeakPolarHBondContact O-CB 3.39Å; I70-F74 WeakPolarHBondContact O-CD2 3.19Å; I70-F74 PolarHBondContact O-N 3.18Å; I70-A541 HydrophobicContact CD1-CB 3.69Å; I70-A541 HydrophobicContact CG1-CB 4.18Å; I70-V542 HydrophobicContact CD1-CG2 3.62Å
71	K	71.1	Confident	70.5	Confident	61 Å²	61	75.4 Å²	75.4	27%	0.265	35%	0.352	S	S	.	.	I	π-helix	trans	-57.8	-51.8	179.5	-70.6	172.6	-170.8	162.4	0	112.1	I67 E68 L75 R76 R579	I67-K71 HydrophobicContact CG2-CD 4.45Å; I67-K71 WeakPolarHBondContact O-CG 3.36Å; I67-K71 PolarHBondContact O-N 3.35Å; E68-K71 PolarHBondContact O-N 2.79Å; E68-K71 VanDerWaalsContact O-N 3.16Å; E68-K71 VanDerWaalsContact OE2-CD 3.3Å; E68-K71 WeakPolarHBondContact OE2-CD 3.15Å; E68-K71 IonicContact OE2-NZ 3.9Å; E68-K71 PolarHBondContact OE2-NZ 3.38Å; K71-L75 HydrophobicContact CG-CD1 4.48Å; K71-L75 WeakPolarHBondContact O-CB 3.5Å; K71-L75 PolarHBondContact O-N 3.28Å; K71-R76 PolarHBondContact O-N 3.18Å; K71-R579 HydrophobicContact CD-CB 4.49Å; K71-R579 WeakPolarHBondContact CE-O 3.33Å; K71-R579 HydrophobicContact CG-CB 4.36Å; K71-R579 HydrophobicContact CG-CG 4.31Å
72	E	75	Confident	70.4	Confident	94 Å²	94	71 Å²	71	44%	0.439	34%	0.342	S	S	.	.	I	π-helix	trans	-60.1	-47.7	178.3	-82.1	-77.8	174.6	0	0	111.2	E68 I70 R76	E68-E72 WeakPolarHBondContact O-CB 3.24Å; E68-E72 PolarHBondContact O-N 2.85Å; I70-E72 PolarHBondContact O-N 2.91Å; E72-R76 IonicContact OE1-NH1 2.65Å; E72-R76 PolarHBondContact OE1-NH1 2.86Å; E72-R76 VanDerWaalsContact OE2-CD 3.25Å; E72-R76 WeakPolarHBondContact OE2-CD 3.34Å; E72-R76 IonicContact OE2-CZ 3.58Å; E72-R76 IonicContact OE2-NE 3.66Å; E72-R76 IonicContact OE2-NH1 3.78Å; E72-R76 PolarHBondContact OE2-NH1 2.81Å
73	R	74.4	Confident	70.6	Confident	121 Å²	121	70.5 Å²	70.5	46%	0.457	34%	0.337	S	S	.	.	I	π-helix	trans	-74.3	-34.1	-174.1	-168.4	176.6	-168.9	172.9	8.8	113.5	K69 I70 D531	K69-R73 WeakPolarHBondContact O-CB 3.31Å; K69-R73 PolarHBondContact O-N 2.84Å; I70-R73 PolarHBondContact O-N 2.84Å; R73-D531 IonicContact CZ-OD2 3.38Å; R73-D531 IonicContact NE-OD2 3.74Å; R73-D531 IonicContact NH1-OD1 3.88Å; R73-D531 IonicContact NH1-OD2 2.71Å; R73-D531 PolarHBondContact NH1-OD2 2.72Å
74	F	70.6	Confident	70.9	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.026	35%	0.345	C	S	.	.	I	π-helix	trans	-112.8	-41.3	-165.8	-62.2	-69.3	0	0	0	114.2	I70 V514 Q516 L517 D531	I70-F74 VanDerWaalsContact CA-CD2 3.49Å; I70-F74 HydrophobicContact CB-CD2 3.88Å; I70-F74 HydrophobicContact CB-CE2 4.23Å; I70-F74 HydrophobicContact CG1-CD2 4.17Å; I70-F74 HydrophobicContact CG1-CE2 4Å; I70-F74 HydrophobicContact CG2-CD2 3.57Å; I70-F74 HydrophobicContact CG2-CE2 4.17Å; I70-F74 WeakPolarHBondContact O-CB 3.39Å; I70-F74 WeakPolarHBondContact O-CD2 3.19Å; I70-F74 PolarHBondContact O-N 3.18Å; F74-V514 HydrophobicContact CB-CG1 4.05Å; F74-V514 HydrophobicContact CB-CG2 4.22Å; F74-V514 HydrophobicContact CD1-CB 4.41Å; F74-V514 HydrophobicContact CD1-CG1 3.05Å; F74-V514 HydrophobicContact CE1-CG1 3.42Å; F74-V514 VanDerWaalsContact CE1-CG1 3.42Å; F74-V514 HydrophobicContact CG-CG1 3.87Å; F74-Q516 HydrophobicContact CD1-CG 4.18Å; F74-Q516 HydrophobicContact CE1-CB 4.34Å; F74-Q516 HydrophobicContact CE1-CG 3.28Å; F74-Q516 HydrophobicContact CZ-CG 3.96Å; F74-L517 HydrophobicContact CE1-CB 4.14Å; F74-L517 HydrophobicContact CZ-CB 4.44Å; F74-D531 HydrophobicContact CE2-CB 4.27Å; F74-D531 HydrophobicContact CZ-CB 3.9Å; F74-D531 VanDerWaalsContact CZ-CG 3.47Å
75	L	71.3	Confident	70.6	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.021	36%	0.36	C	S	.	.	I	π-helix	trans	-94.6	-40.4	-170.8	-70.7	175.4	0	0	0	112.2	K71 Q78 Y79 P561 V562 I578 R579	K71-L75 HydrophobicContact CG-CD1 4.48Å; K71-L75 WeakPolarHBondContact O-CB 3.5Å; K71-L75 PolarHBondContact O-N 3.28Å; L75-Q78 WeakPolarHBondContact O-CB 3.48Å; L75-Q78 PolarHBondContact O-N 2.83Å; L75-Y79 HydrophobicContact CB-CD2 4.14Å; L75-Y79 HydrophobicContact CB-CE2 3.97Å; L75-Y79 WeakPolarHBondContact O-CD2 3.44Å; L75-Y79 PolarHBondContact O-N 3.38Å; L75-P561 HydrophobicContact CD2-CB 4.42Å; L75-V562 HydrophobicContact CD1-CG2 4.5Å; L75-V562 HydrophobicContact CD2-CG2 4.11Å; L75-I578 HydrophobicContact CD1-CD1 4.15Å; L75-I578 HydrophobicContact CD1-CG1 4.13Å; L75-I578 HydrophobicContact CD2-CD1 4.09Å; L75-I578 HydrophobicContact CG-CD1 4.4Å; L75-R579 HydrophobicContact CD1-CG 3.28Å
76	R	75.2	Confident	69.9	Low	124 Å²	124	83.4 Å²	83.4	47%	0.468	38%	0.38	S	S	.	.	H	α-helix	trans	-54.2	-47	179.2	-177	179.5	-175.7	165.8	8.3	112.9	K71 E72 Q78 Y79 E80	K71-R76 PolarHBondContact O-N 3.18Å; E72-R76 IonicContact OE1-NH1 2.65Å; E72-R76 PolarHBondContact OE1-NH1 2.86Å; E72-R76 VanDerWaalsContact OE2-CD 3.25Å; E72-R76 WeakPolarHBondContact OE2-CD 3.34Å; E72-R76 IonicContact OE2-CZ 3.58Å; E72-R76 IonicContact OE2-NE 3.66Å; E72-R76 IonicContact OE2-NH1 3.78Å; E72-R76 PolarHBondContact OE2-NH1 2.81Å; R76-Q78 VanDerWaalsContact C-N 3.28Å; R76-Q78 PolarHBondContact O-N 2.98Å; R76-Y79 PolarHBondContact O-N 2.97Å; R76-E80 HydrophobicContact CG-CG 4.4Å; R76-E80 WeakPolarHBondContact CG-OE1 3.33Å; R76-E80 IonicContact CZ-OE1 2.74Å; R76-E80 IonicContact NE-OE1 3.75Å; R76-E80 PolarHBondContact NE-OE1 3.12Å; R76-E80 WeakPolarHBondContact O-CB 3.4Å; R76-E80 WeakPolarHBondContact O-CG 3.29Å; R76-E80 PolarHBondContact O-N 2.95Å
77	P	75.1	Confident	69.2	Low	49 Å²	49	92.8 Å²	92.8	32%	0.318	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-32.4	177.2	-22.4	34.4	0	0	0	113.4	R81	P77-R81 WeakPolarHBondContact O-CB 3.22Å; P77-R81 WeakPolarHBondContact O-CD 3.02Å; P77-R81 WeakPolarHBondContact O-CG 3.45Å; P77-R81 PolarHBondContact O-N 2.88Å
78	Q	68.1	Low	68.2	Low	62 Å²	62	101.4 Å²	101.4	29%	0.29	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-44.8	176.8	-71.5	-71.7	3	0	0	111.1	L75 R76 R81 A82 H513	L75-Q78 WeakPolarHBondContact O-CB 3.48Å; L75-Q78 PolarHBondContact O-N 2.83Å; R76-Q78 VanDerWaalsContact C-N 3.28Å; R76-Q78 PolarHBondContact O-N 2.98Å; Q78-R81 PolarHBondContact O-N 3.35Å; Q78-A82 WeakPolarHBondContact O-CB 3.44Å; Q78-A82 PolarHBondContact O-N 2.9Å; Q78-H513 PolarHBondContact NE2-O 3.35Å
79	Y	67.9	Low	66.6	Low	110 Å²	110	108.2 Å²	108.2	43%	0.431	46%	0.464	S	S	.	.	H	α-helix	trans	-64.6	-41.5	175.9	-75.5	-65.5	0	0	0	112.3	L75 R76 A82 A83 V562 R579	L75-Y79 HydrophobicContact CB-CD2 4.14Å; L75-Y79 HydrophobicContact CB-CE2 3.97Å; L75-Y79 WeakPolarHBondContact O-CD2 3.44Å; L75-Y79 PolarHBondContact O-N 3.38Å; R76-Y79 PolarHBondContact O-N 2.97Å; Y79-A82 PolarHBondContact O-N 3.12Å; Y79-A83 VanDerWaalsContact O-CB 3.27Å; Y79-A83 WeakPolarHBondContact O-CB 3.25Å; Y79-A83 PolarHBondContact O-N 3.26Å; Y79-V562 WeakPolarHBondContact OH-CG2 3.18Å; Y79-R579 PolarHBondContact OH-NH1 3.03Å
80	E	73.2	Confident	65	Low	95 Å²	95	106 Å²	106	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-44.5	175.7	-73.7	173	-179.8	0	0	111.1	R76 A82 A83 I84	R76-E80 HydrophobicContact CG-CG 4.4Å; R76-E80 WeakPolarHBondContact CG-OE1 3.33Å; R76-E80 IonicContact CZ-OE1 2.74Å; R76-E80 IonicContact NE-OE1 3.75Å; R76-E80 PolarHBondContact NE-OE1 3.12Å; R76-E80 WeakPolarHBondContact O-CB 3.4Å; R76-E80 WeakPolarHBondContact O-CG 3.29Å; R76-E80 PolarHBondContact O-N 2.95Å; E80-A82 PolarHBondContact O-N 2.94Å; E80-A83 PolarHBondContact O-N 3.44Å; E80-I84 WeakPolarHBondContact O-CB 3.36Å; E80-I84 WeakPolarHBondContact O-CD1 3.37Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 2.99Å
81	R	70.9	Confident	63.7	Low	160 Å²	160	112.3 Å²	112.3	60%	0.604	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-42.3	173.8	-74.9	172.1	-179	-174.9	0.1	112.4	P77 Q78 I84 R85	P77-R81 WeakPolarHBondContact O-CB 3.22Å; P77-R81 WeakPolarHBondContact O-CD 3.02Å; P77-R81 WeakPolarHBondContact O-CG 3.45Å; P77-R81 PolarHBondContact O-N 2.88Å; Q78-R81 PolarHBondContact O-N 3.35Å; R81-I84 PolarHBondContact O-N 3.25Å; R81-R85 WeakPolarHBondContact O-CG 3.4Å; R81-R85 PolarHBondContact O-N 3Å
82	A	64.2	Low	62.6	Low	45 Å²	45	115 Å²	115	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-39.2	176.7	0	0	0	0	0	112	Q78 Y79 E80 R85 K86	Q78-A82 WeakPolarHBondContact O-CB 3.44Å; Q78-A82 PolarHBondContact O-N 2.9Å; Y79-A82 PolarHBondContact O-N 3.12Å; E80-A82 PolarHBondContact O-N 2.94Å; A82-R85 PolarHBondContact O-N 3.42Å; A82-K86 WeakPolarHBondContact O-CG 3.49Å; A82-K86 PolarHBondContact O-N 3.14Å
83	A	68.3	Low	61.2	Low	46 Å²	46	114.7 Å²	114.7	38%	0.38	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-41.3	175.4	0	0	0	0	0	111.8	Y79 E80 R85 K86 R87	Y79-A83 VanDerWaalsContact O-CB 3.27Å; Y79-A83 WeakPolarHBondContact O-CB 3.25Å; Y79-A83 PolarHBondContact O-N 3.26Å; E80-A83 PolarHBondContact O-N 3.44Å; A83-R85 VanDerWaalsContact C-N 3.35Å; A83-K86 PolarHBondContact O-N 2.99Å; A83-R87 WeakPolarHBondContact O-CG 3.47Å; A83-R87 PolarHBondContact O-N 2.74Å
84	I	69.4	Low	59.8	Low	100 Å²	100	111.5 Å²	111.5	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-61.9	-43	173.2	-68.4	163.5	0	0	0	110.3	E80 R81 K86 R87 R88	E80-I84 WeakPolarHBondContact O-CB 3.36Å; E80-I84 WeakPolarHBondContact O-CD1 3.37Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 2.99Å; R81-I84 PolarHBondContact O-N 3.25Å; I84-K86 PolarHBondContact O-N 2.85Å; I84-R87 PolarHBondContact O-N 3.25Å; I84-R88 PolarHBondContact O-N 2.84Å; I84-R88 VanDerWaalsContact O-N 3.12Å
85	R	59.9	Low	58.8	Low	203 Å²	203	113.6 Å²	113.6	77%	0.766	52%	0.52	S	S	*	.	H	α-helix	trans	-61.6	-40.8	174.3	-76.8	178.4	178.9	176.9	-0.9	112.3	R81 A82 A83 R88	R81-R85 WeakPolarHBondContact O-CG 3.4Å; R81-R85 PolarHBondContact O-N 3Å; A82-R85 PolarHBondContact O-N 3.42Å; A83-R85 VanDerWaalsContact C-N 3.35Å; R85-R88 PolarHBondContact O-N 3.11Å
86	K	57.2	Low	57.7	Low	189 Å²	189	114.2 Å²	114.2	82%	0.822	52%	0.524	S	S	*	.	H	α-helix	trans	-68.9	-28.9	175.3	-76.2	-177.3	177.3	-176.8	0	113.5	A82 A83 I84	A82-K86 WeakPolarHBondContact O-CG 3.49Å; A82-K86 PolarHBondContact O-N 3.14Å; A83-K86 PolarHBondContact O-N 2.99Å; I84-K86 PolarHBondContact O-N 2.85Å
87	R	53.5	Low	56.5	Low	221 Å²	221	108.3 Å²	108.3	83%	0.834	50%	0.502	S	S	*	.	H	α-helix	trans	-78.8	-24.1	176.9	-76.8	-178.6	179.7	-177.4	0.9	113.6	A83 I84 R89	A83-R87 WeakPolarHBondContact O-CG 3.47Å; A83-R87 PolarHBondContact O-N 2.74Å; I84-R87 PolarHBondContact O-N 3.25Å; R87-R89 PolarHBondContact O-N 3Å
88	R	46.9	Very low	55.2	Low	194 Å²	194	107.3 Å²	107.3	73%	0.732	50%	0.495	S	S	*	.	S	Bend	trans	-66.3	114.8	168.1	-72.9	-175.1	175.6	-167	-2.2	107.7	I84 R85	I84-R88 PolarHBondContact O-N 2.84Å; I84-R88 VanDerWaalsContact O-N 3.12Å; R85-R88 PolarHBondContact O-N 3.11Å
89	R	41	Very low	54.3	Low	230 Å²	230	105.5 Å²	105.5	87%	0.868	49%	0.486	S	S	*	.			trans	-48.7	133.7	172.7	-72.9	-178.4	177.2	-178	-0.8	108.1	R87 V91	R87-R89 PolarHBondContact O-N 3Å; R89-V91 PolarHBondContact O-N 3.46Å; R89-V91 VanDerWaalsContact O-N 3.16Å
90	P	43	Very low	53.6	Low	108 Å²	108	106.3 Å²	106.3	70%	0.701	50%	0.498	S	S	*	.			trans	-56.4	127.2	174.1	24.3	-31.7	0	0	0	107.3	K92	P90-K92 PolarHBondContact O-N 2.91Å
91	V	42.4	Very low	52.3	Low	137 Å²	137	106 Å²	106	83%	0.83	50%	0.499	S	S	*	.			trans	-57.6	107.9	165.5	177.9	0	0	0	0	104.6	R89 E93	R89-V91 PolarHBondContact O-N 3.46Å; R89-V91 VanDerWaalsContact O-N 3.16Å; V91-E93 PolarHBondContact O-N 3.16Å; V91-E93 VanDerWaalsContact O-N 3.17Å
92	K	47.8	Very low	51.1	Low	117 Å²	117	102.4 Å²	102.4	51%	0.509	49%	0.492	S	S	.	.			trans	-71	114.3	-178.4	-65	-173.5	173.7	-177.8	0	106.8	P90 T111	P90-K92 PolarHBondContact O-N 2.91Å; K92-T111 VanDerWaalsContact C-OG1 3.23Å; K92-T111 WeakPolarHBondContact CB-OG1 3.36Å; K92-T111 WeakPolarHBondContact CD-O 3.27Å; K92-T111 PolarHBondContact O-OG1 3.02Å
93	E	45.5	Very low	50.6	Low	88 Å²	88	107.3 Å²	107.3	41%	0.411	51%	0.511	S	S	.	.			trans	-65.2	142.7	-179.9	-64.5	-179.2	176.7	0	0	110.2	V91 T111 P132 S133	V91-E93 PolarHBondContact O-N 3.16Å; V91-E93 VanDerWaalsContact O-N 3.17Å; E93-T111 WeakPolarHBondContact O-CB 3.37Å; E93-T111 WeakPolarHBondContact O-CG2 3.46Å; E93-T111 PolarHBondContact O-OG1 3.24Å; E93-P132 HydrophobicContact CB-CG 4.25Å; E93-S133 PolarHBondContact OE2-OG 3.29Å
94	P	45.1	Very low	49.5	Very low	54 Å²	54	109.5 Å²	109.5	35%	0.351	53%	0.529	S	S	.	.			trans	-61.5	152.3	172.3	23.5	-29.5	0	0	0	110.6	I108 Y109 P132	P94-I108 HydrophobicContact CB-CG2 3.65Å; P94-I108 HydrophobicContact CG-CG2 4.39Å; P94-Y109 CarbonylContact C-O 3.53Å; P94-Y109 VanDerWaalsContact CA-O 3.3Å; P94-Y109 WeakPolarHBondContact CA-O 3.48Å; P94-P132 HydrophobicContact CG-CG 3.79Å; P94-P132 WeakPolarHBondContact O-CD 3.37Å; P94-P132 WeakPolarHBondContact O-CG 3.39Å
95	I	48.8	Very low	48.7	Very low	49 Å²	49	106.3 Å²	106.3	25%	0.251	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.5	176.4	-66.5	167.1	0	0	0	108.8	V97 I108 Y109 T111 F129	I95-V97 HydrophobicContact CG2-CG2 4.16Å; I95-I108 CarbonylContact O-C 3.56Å; I95-I108 WeakPolarHBondContact O-CA 3.44Å; I95-Y109 PolarHBondContact N-O 2.9Å; I95-Y109 PolarHBondContact O-N 3.04Å; I95-T111 HydrophobicContact CB-CG2 4.46Å; I95-T111 HydrophobicContact CD1-CG2 3.44Å; I95-T111 VanDerWaalsContact CD1-CG2 3.44Å; I95-T111 HydrophobicContact CG1-CG2 3.54Å; I95-F129 HydrophobicContact CG2-CD1 4.35Å
96	V	47.4	Very low	48.2	Very low	17 Å²	17	99.3 Å²	99.3	10%	0.103	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.7	174.7	-174.8	0	0	0	0	109.5	T106 I108 M130 L135	V96-T106 HydrophobicContact CG1-CG2 3.16Å; V96-I108 HydrophobicContact CG2-CG1 4.29Å; V96-M130 PolarHBondContact N-O 3.22Å; V96-M130 PolarHBondContact O-N 2.85Å; V96-L135 HydrophobicContact CB-CD1 4.04Å; V96-L135 HydrophobicContact CG1-CD1 4.27Å; V96-L135 HydrophobicContact CG2-CD1 3.58Å
97	V	50.7	Low	48	Very low	1 Å²	1	95.8 Å²	95.8	1%	0.006	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.4	-178.3	179	0	0	0	0	109.1	I95 T106 K107 Y109 A126	I95-V97 HydrophobicContact CG2-CG2 4.16Å; V97-T106 CarbonylContact O-C 3.52Å; V97-T106 WeakPolarHBondContact O-CA 3.47Å; V97-K107 PolarHBondContact N-O 3.06Å; V97-K107 PolarHBondContact O-N 2.76Å; V97-Y109 HydrophobicContact CB-CD2 4.13Å; V97-Y109 HydrophobicContact CB-CE2 3.9Å; V97-Y109 HydrophobicContact CG2-CD2 3.61Å; V97-Y109 HydrophobicContact CG2-CE2 3.77Å; V97-A126 HydrophobicContact CG1-CB 3.7Å
98	V	48.8	Very low	48.1	Very low	28 Å²	28	91.1 Å²	91.1	17%	0.17	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.3	176	-175.1	0	0	0	0	109.1	N102 T106	V98-N102 WeakPolarHBondContact CG1-O 3.42Å; V98-T106 HydrophobicContact CG2-CG2 4.23Å
99	H	49.4	Very low	48.2	Very low	23 Å²	23	84.1 Å²	84.1	11%	0.106	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.2	178.9	-61.2	-69.9	0	0	0	111.5	D101 N102 S105	H99-D101 VanDerWaalsContact C-N 3.25Å; H99-D101 PolarHBondContact O-N 2.76Å; H99-N102 PolarHBondContact O-N 3.09Å; H99-S105 WeakPolarHBondContact CA-OG 3.43Å; H99-S105 WeakPolarHBondContact CB-OG 3.24Å; H99-S105 PolarHBondContact CD2-O 3.21Å; H99-S105 PolarHBondContact N-OG 3.08Å; H99-S105 PolarHBondContact O-OG 2.99Å
100	N	52.1	Low	48.6	Very low	127 Å²	127	78.1 Å²	78.1	68%	0.679	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	36.6	169.1	-61.3	-15.9	0	0	0	115.7	N102	N100-N102 PolarHBondContact O-N 2.78Å
101	D	46.7	Very low	49	Very low	88 Å²	88	73.9 Å²	73.9	47%	0.471	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	16	-177.7	-55.8	-35.5	0	0	0	114.7	H99 R127	H99-D101 VanDerWaalsContact C-N 3.25Å; H99-D101 PolarHBondContact O-N 2.76Å; D101-R127 IonicContact OD1-NH1 3.61Å; D101-R127 IonicContact OD2-CZ 2.63Å; D101-R127 IonicContact OD2-NH1 3.96Å; D101-R127 PolarHBondContact OD2-NH1 2.65Å
102	N	46.1	Very low	49.2	Very low	86 Å²	86	71.1 Å²	71.1	46%	0.46	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.6	178.9	-175.7	-3.6	0	0	0	110	V98 H99 N100 A104 S105	V98-N102 WeakPolarHBondContact CG1-O 3.42Å; H99-N102 PolarHBondContact O-N 3.09Å; N100-N102 PolarHBondContact O-N 2.78Å; N102-A104 PolarHBondContact O-N 3.08Å; N102-A104 VanDerWaalsContact O-N 3.13Å; N102-A104 WeakPolarHBondContact OD1-CB 3.41Å; N102-A104 PolarHBondContact OD1-N 2.97Å; N102-S105 WeakPolarHBondContact O-CB 3.44Å; N102-S105 PolarHBondContact O-N 3.19Å; N102-S105 PolarHBondContact O-OG 2.97Å
103	L	52.2	Low	49.1	Very low	147 Å²	147	67.9 Å²	67.9	77%	0.77	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	-24.7	175.3	-94.9	111.1	0	0	0	113.2	S105 T106	L103-S105 PolarHBondContact O-N 2.76Å; L103-T106 WeakPolarHBondContact O-CB 3.29Å; L103-T106 PolarHBondContact O-N 3.33Å; L103-T106 PolarHBondContact O-OG1 3.37Å
104	A	45	Very low	49	Very low	92 Å²	92	68.4 Å²	68.4	76%	0.76	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	-14	175.3	0	0	0	0	0	113.4	N102 T106	N102-A104 PolarHBondContact O-N 3.08Å; N102-A104 VanDerWaalsContact O-N 3.13Å; N102-A104 WeakPolarHBondContact OD1-CB 3.41Å; N102-A104 PolarHBondContact OD1-N 2.97Å; A104-T106 VanDerWaalsContact C-N 3.33Å
105	S	53.5	Low	48.9	Very low	33 Å²	33	71.9 Å²	71.9	23%	0.231	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	6.3	-180	75.3	0	0	0	0	114.2	H99 N102 L103 K107	H99-S105 WeakPolarHBondContact CA-OG 3.43Å; H99-S105 WeakPolarHBondContact CB-OG 3.24Å; H99-S105 PolarHBondContact CD2-O 3.21Å; H99-S105 PolarHBondContact N-OG 3.08Å; H99-S105 PolarHBondContact O-OG 2.99Å; N102-S105 WeakPolarHBondContact O-CB 3.44Å; N102-S105 PolarHBondContact O-N 3.19Å; N102-S105 PolarHBondContact O-OG 2.97Å; L103-S105 PolarHBondContact O-N 2.76Å; S105-K107 PolarHBondContact O-N 2.85Å
106	T	48.3	Very low	48.8	Very low	57 Å²	57	78 Å²	78	35%	0.35	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.6	-170.6	-56.2	0	0	0	0	112.2	V96 V97 V98 L103 A104	V96-T106 HydrophobicContact CG1-CG2 3.16Å; V97-T106 CarbonylContact O-C 3.52Å; V97-T106 WeakPolarHBondContact O-CA 3.47Å; V98-T106 HydrophobicContact CG2-CG2 4.23Å; L103-T106 WeakPolarHBondContact O-CB 3.29Å; L103-T106 PolarHBondContact O-N 3.33Å; L103-T106 PolarHBondContact O-OG1 3.37Å; A104-T106 VanDerWaalsContact C-N 3.33Å
107	K	53.2	Low	48.7	Very low	114 Å²	114	78 Å²	78	50%	0.496	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.4	176.3	-73.2	-178.4	-179.2	174.3	0	111.4	V97 S105 Y109	V97-K107 PolarHBondContact N-O 3.06Å; V97-K107 PolarHBondContact O-N 2.76Å; S105-K107 PolarHBondContact O-N 2.85Å; K107-Y109 HydrophobicContact CB-CD2 4.43Å; K107-Y109 HydrophobicContact CB-CE2 3.73Å
108	I	56.1	Low	48.4	Very low	124 Å²	124	81 Å²	81	64%	0.636	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	121	178.9	-54.6	-179.5	0	0	0	109	P94 I95 V96	P94-I108 HydrophobicContact CB-CG2 3.65Å; P94-I108 HydrophobicContact CG-CG2 4.39Å; I95-I108 CarbonylContact O-C 3.56Å; I95-I108 WeakPolarHBondContact O-CA 3.44Å; V96-I108 HydrophobicContact CG2-CG1 4.29Å
109	Y	49.2	Very low	48.4	Very low	46 Å²	46	83.7 Å²	83.7	18%	0.18	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125	179.3	-69.7	-89.2	0	0	0	111	P94 I95 V97 K107 T111	P94-Y109 CarbonylContact C-O 3.53Å; P94-Y109 VanDerWaalsContact CA-O 3.3Å; P94-Y109 WeakPolarHBondContact CA-O 3.48Å; I95-Y109 PolarHBondContact N-O 2.9Å; I95-Y109 PolarHBondContact O-N 3.04Å; V97-Y109 HydrophobicContact CB-CD2 4.13Å; V97-Y109 HydrophobicContact CB-CE2 3.9Å; V97-Y109 HydrophobicContact CG2-CD2 3.61Å; V97-Y109 HydrophobicContact CG2-CE2 3.77Å; K107-Y109 HydrophobicContact CB-CD2 4.43Å; K107-Y109 HydrophobicContact CB-CE2 3.73Å; Y109-T111 PolarHBondContact O-N 3.04Å
110	N	50.5	Low	48.4	Very low	105 Å²	105	85.2 Å²	85.2	56%	0.561	49%	0.485	S	S	*	.			trans	-74.6	120.9	173.6	-171.2	-17.9	0	0	0	110.5	A112	N110-A112 PolarHBondContact O-N 2.89Å; N110-A112 VanDerWaalsContact OD1-CB 3.31Å; N110-A112 WeakPolarHBondContact OD1-CB 3.29Å; N110-A112 PolarHBondContact OD1-N 3.28Å
111	T	51.4	Low	48	Very low	18 Å²	18	81.3 Å²	81.3	11%	0.11	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-76.9	-0	-178	46.1	0	0	0	0	114.3	K92 E93 I95 Y109 A113	K92-T111 VanDerWaalsContact C-OG1 3.23Å; K92-T111 WeakPolarHBondContact CB-OG1 3.36Å; K92-T111 WeakPolarHBondContact CD-O 3.27Å; K92-T111 PolarHBondContact O-OG1 3.02Å; E93-T111 WeakPolarHBondContact O-CB 3.37Å; E93-T111 WeakPolarHBondContact O-CG2 3.46Å; E93-T111 PolarHBondContact O-OG1 3.24Å; I95-T111 HydrophobicContact CB-CG2 4.46Å; I95-T111 HydrophobicContact CD1-CG2 3.44Å; I95-T111 VanDerWaalsContact CD1-CG2 3.44Å; I95-T111 HydrophobicContact CG1-CG2 3.54Å; Y109-T111 PolarHBondContact O-N 3.04Å; T111-A113 PolarHBondContact O-N 3.3Å
112	A	45.4	Very low	47.9	Very low	79 Å²	79	85.8 Å²	85.8	65%	0.653	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24	170.7	0	0	0	0	0	113.2	N110	N110-A112 PolarHBondContact O-N 2.89Å; N110-A112 VanDerWaalsContact OD1-CB 3.31Å; N110-A112 WeakPolarHBondContact OD1-CB 3.29Å; N110-A112 PolarHBondContact OD1-N 3.28Å
113	A	46	Very low	47.9	Very low	50 Å²	50	85.2 Å²	85.2	41%	0.413	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-109.1	36.9	-174.8	0	0	0	0	0	114.1	T111 D115 K116 S117	T111-A113 PolarHBondContact O-N 3.3Å; A113-D115 PolarHBondContact O-N 3.47Å; A113-K116 PolarHBondContact O-N 3.4Å; A113-S117 PolarHBondContact O-N 3.45Å; A113-S117 PolarHBondContact O-OG 2.95Å
114	H	43.9	Very low	47.6	Very low	98 Å²	98	81.4 Å²	81.4	45%	0.454	47%	0.472	S	S	.	.	H	α-helix	trans	-34	-41.2	-169.3	-162.2	-96.3	0	0	0	116.1	I118	H114-I118 WeakPolarHBondContact CE1-CD1 3.45Å; H114-I118 WeakPolarHBondContact ND1-CD1 3.01Å; H114-I118 WeakPolarHBondContact O-CB 3.2Å; H114-I118 WeakPolarHBondContact O-CD1 2.76Å; H114-I118 WeakPolarHBondContact O-CG1 3.18Å; H114-I118 PolarHBondContact O-N 3.36Å
115	D	41.6	Very low	47.4	Very low	127 Å²	127	83.6 Å²	83.6	68%	0.679	47%	0.471	S	S	*	.	H	α-helix	trans	-81.9	-31.8	-176.3	-59.6	-24.7	0	0	0	114.3	A113 S119	A113-D115 PolarHBondContact O-N 3.47Å; D115-S119 PolarHBondContact O-N 3.49Å; D115-S119 PolarHBondContact O-OG 3.47Å
116	K	46.7	Very low	46.8	Very low	178 Å²	178	83.4 Å²	83.4	77%	0.774	47%	0.472	S	S	*	.	H	α-helix	trans	-77.1	-36.2	174	-79.5	-176.9	176.6	179.9	0	111.5	A113 A120	A113-K116 PolarHBondContact O-N 3.4Å; K116-A120 WeakPolarHBondContact O-CB 3.44Å; K116-A120 PolarHBondContact O-N 2.85Å; K116-A120 VanDerWaalsContact O-N 3.11Å
117	S	45.5	Very low	46.1	Very low	18 Å²	18	89.1 Å²	89.1	13%	0.126	49%	0.487	C	S	.	.	H	α-helix	trans	-69.7	-42.8	-179.7	-44.9	0	0	0	0	112.1	A113 A120 M121	A113-S117 PolarHBondContact O-N 3.45Å; A113-S117 PolarHBondContact O-OG 2.95Å; S117-A120 PolarHBondContact O-N 3.3Å; S117-M121 WeakPolarHBondContact O-CB 3.28Å; S117-M121 VanDerWaalsContact O-CG 3.24Å; S117-M121 WeakPolarHBondContact O-CG 3.32Å; S117-M121 PolarHBondContact O-N 2.79Å
118	I	45.7	Very low	45.2	Very low	62 Å²	62	89.7 Å²	89.7	32%	0.318	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-37.2	178.3	-69.4	171.5	0	0	0	111.6	H114 M121 K122	H114-I118 WeakPolarHBondContact CE1-CD1 3.45Å; H114-I118 WeakPolarHBondContact ND1-CD1 3.01Å; H114-I118 WeakPolarHBondContact O-CB 3.2Å; H114-I118 WeakPolarHBondContact O-CD1 2.76Å; H114-I118 WeakPolarHBondContact O-CG1 3.18Å; H114-I118 PolarHBondContact O-N 3.36Å; I118-M121 HydrophobicContact CB-CE 4.39Å; I118-M121 HydrophobicContact CG1-CE 3.78Å; I118-M121 PolarHBondContact O-N 3.25Å; I118-K122 WeakPolarHBondContact O-CG 3.27Å; I118-K122 PolarHBondContact O-N 2.91Å; I118-K122 VanDerWaalsContact O-N 3.11Å
119	S	48.9	Very low	44.5	Very low	85 Å²	85	90 Å²	90	59%	0.594	48%	0.484	S	S	*	.	H	α-helix	trans	-66.9	-36.8	175.8	-56	0	0	0	0	112.3	D115 M121	D115-S119 PolarHBondContact O-N 3.49Å; D115-S119 PolarHBondContact O-OG 3.47Å; S119-M121 VanDerWaalsContact C-N 3.35Å
120	A	48.6	Very low	43.9	Very low	56 Å²	56	91.6 Å²	91.6	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-71	-27.7	172	0	0	0	0	0	113.1	K116 S117 L124	K116-A120 WeakPolarHBondContact O-CB 3.44Å; K116-A120 PolarHBondContact O-N 2.85Å; K116-A120 VanDerWaalsContact O-N 3.11Å; S117-A120 PolarHBondContact O-N 3.3Å; A120-L124 VanDerWaalsContact O-CD1 3.29Å; A120-L124 WeakPolarHBondContact O-CD1 3.48Å
121	M	43.4	Very low	43.4	Very low	44 Å²	44	92.8 Å²	92.8	22%	0.217	49%	0.494	C	S	.	.	H	α-helix	trans	-78.3	-20.7	176.7	-74	-173	-65.5	0	0	113.7	S117 I118 S119 G123 L124 F129	S117-M121 WeakPolarHBondContact O-CB 3.28Å; S117-M121 VanDerWaalsContact O-CG 3.24Å; S117-M121 WeakPolarHBondContact O-CG 3.32Å; S117-M121 PolarHBondContact O-N 2.79Å; I118-M121 HydrophobicContact CB-CE 4.39Å; I118-M121 HydrophobicContact CG1-CE 3.78Å; I118-M121 PolarHBondContact O-N 3.25Å; S119-M121 VanDerWaalsContact C-N 3.35Å; M121-G123 PolarHBondContact O-N 3.49Å; M121-G123 VanDerWaalsContact O-N 3.08Å; M121-L124 PolarHBondContact O-N 3.36Å; M121-F129 HydrophobicContact SD-CE1 4.16Å
122	K	44.5	Very low	42.6	Very low	182 Å²	182	93.7 Å²	93.7	79%	0.791	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-0.8	-179.6	-84.4	-177.9	176.7	-176.8	0	115.5	I118	I118-K122 WeakPolarHBondContact O-CG 3.27Å; I118-K122 PolarHBondContact O-N 2.91Å; I118-K122 VanDerWaalsContact O-N 3.11Å
123	G	47.5	Very low	42.2	Very low	74 Å²	74	92.3 Å²	92.3	76%	0.763	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	7.8	175.4	0	0	0	0	0	114.8	M121	M121-G123 PolarHBondContact O-N 3.49Å; M121-G123 VanDerWaalsContact O-N 3.08Å
124	L	44.1	Very low	41.5	Very low	67 Å²	67	94.2 Å²	94.2	35%	0.351	49%	0.487	S	S	.	.	S	Bend	trans	-110.6	126	-172.6	-68.5	166.8	0	0	0	110.5	A120 M121 A126	A120-L124 VanDerWaalsContact O-CD1 3.29Å; A120-L124 WeakPolarHBondContact O-CD1 3.48Å; M121-L124 PolarHBondContact O-N 3.36Å; L124-A126 PolarHBondContact O-N 2.73Å
125	N	41.6	Very low	40.9	Very low	138 Å²	138	92.2 Å²	92.2	74%	0.738	48%	0.48	S	S	*	.			trans	-65.3	71.2	168.3	-88.9	-15.2	0	0	0	110.5
126	A	40	Very low	40.3	Very low	29 Å²	29	90 Å²	90	24%	0.24	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.5	175.9	0	0	0	0	0	109.5	V97 L124 F129	V97-A126 HydrophobicContact CG1-CB 3.7Å; L124-A126 PolarHBondContact O-N 2.73Å; A126-F129 HydrophobicContact CB-CZ 4.5Å
127	R	33.9	Very low	39.4	Very low	177 Å²	177	89.7 Å²	89.7	67%	0.668	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	-23.4	177.3	-89.1	-177.5	175.3	173.9	-3	113.7	D101	D101-R127 IonicContact OD1-NH1 3.61Å; D101-R127 IonicContact OD2-CZ 2.63Å; D101-R127 IonicContact OD2-NH1 3.96Å; D101-R127 PolarHBondContact OD2-NH1 2.65Å
128	Y	35.3	Very low	38.6	Very low	127 Å²	127	95 Å²	95	50%	0.498	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.6	-172.3	-57.1	-77	0	0	0	112.3
129	F	40.2	Very low	37.6	Very low	131 Å²	131	96.9 Å²	96.9	58%	0.575	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.7	169.7	-63.9	-86.1	0	0	0	108.2	I95 M121 A126	I95-F129 HydrophobicContact CG2-CD1 4.35Å; M121-F129 HydrophobicContact SD-CE1 4.16Å; A126-F129 HydrophobicContact CB-CZ 4.5Å
130	M	38.2	Very low	36.6	Very low	78 Å²	78	96.6 Å²	96.6	38%	0.384	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.3	176.7	-77	-177.8	162.6	0	0	111.3	V96	V96-M130 PolarHBondContact N-O 3.22Å; V96-M130 PolarHBondContact O-N 2.85Å
131	K	39	Very low	35.7	Very low	130 Å²	130	101.8 Å²	101.8	57%	0.565	53%	0.529	S	S	*	.			trans	-76.7	140.4	167	-66.6	-177.4	179.5	176.3	0	108.9	S133 M134 L135	K131-S133 WeakPolarHBondContact CB-OG 3.17Å; K131-S133 PolarHBondContact O-N 3.24Å; K131-M134 HydrophobicContact CB-CG 4.42Å; K131-M134 WeakPolarHBondContact O-CA 3.26Å; K131-M134 WeakPolarHBondContact O-CB 3.5Å; K131-M134 PolarHBondContact O-N 3.45Å; K131-L135 PolarHBondContact O-N 3.22Å
132	P	35	Very low	35.2	Very low	38 Å²	38	104.8 Å²	104.8	25%	0.247	55%	0.552	C	S	.	*	H	α-helix	trans	-57.6	-31.5	173.4	-23.1	31.7	0	0	0	112.2	E93 P94 M134 L135 A136	E93-P132 HydrophobicContact CB-CG 4.25Å; P94-P132 HydrophobicContact CG-CG 3.79Å; P94-P132 WeakPolarHBondContact O-CD 3.37Å; P94-P132 WeakPolarHBondContact O-CG 3.39Å; P132-M134 PolarHBondContact O-N 2.91Å; P132-L135 WeakPolarHBondContact O-CB 3.38Å; P132-L135 PolarHBondContact O-N 3.12Å; P132-L135 VanDerWaalsContact O-N 3.11Å; P132-A136 PolarHBondContact O-N 3.07Å
133	S	36.7	Very low	34.6	Very low	50 Å²	50	103.7 Å²	103.7	35%	0.35	55%	0.554	S	S	.	*	H	α-helix	trans	-60.6	-28.7	171.4	41.5	0	0	0	0	113.4	E93 K131	E93-S133 PolarHBondContact OE2-OG 3.29Å; K131-S133 WeakPolarHBondContact CB-OG 3.17Å; K131-S133 PolarHBondContact O-N 3.24Å
134	M	32.1	Very low	33.8	Very low	89 Å²	89	107.7 Å²	107.7	44%	0.438	56%	0.557	S	S	.	*	H	α-helix	trans	-83.7	-26.3	171.9	-68	-152.8	-71.1	0	0	113.2	K131 P132 A136 E137 L138	K131-M134 HydrophobicContact CB-CG 4.42Å; K131-M134 WeakPolarHBondContact O-CA 3.26Å; K131-M134 WeakPolarHBondContact O-CB 3.5Å; K131-M134 PolarHBondContact O-N 3.45Å; P132-M134 PolarHBondContact O-N 2.91Å; M134-A136 VanDerWaalsContact C-N 3.33Å; M134-E137 PolarHBondContact O-N 3.21Å; M134-L138 PolarHBondContact O-N 3.47Å
135	L	30	Very low	33	Very low	57 Å²	57	108.3 Å²	108.3	30%	0.298	57%	0.566	S	S	.	*	H	α-helix	trans	-67.3	-34.4	170.6	-94.1	152.6	0	0	0	111.7	V96 K131 P132 E137 L138 I139	V96-L135 HydrophobicContact CB-CD1 4.04Å; V96-L135 HydrophobicContact CG1-CD1 4.27Å; V96-L135 HydrophobicContact CG2-CD1 3.58Å; K131-L135 PolarHBondContact O-N 3.22Å; P132-L135 WeakPolarHBondContact O-CB 3.38Å; P132-L135 PolarHBondContact O-N 3.12Å; P132-L135 VanDerWaalsContact O-N 3.11Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 3Å; L135-L138 PolarHBondContact O-N 3.01Å; L135-I139 HydrophobicContact CD2-CD1 3.66Å; L135-I139 HydrophobicContact CD2-CG1 4.46Å; L135-I139 WeakPolarHBondContact O-CG1 3.17Å; L135-I139 PolarHBondContact O-N 2.96Å
136	A	28.9	Very low	32.4	Very low	79 Å²	79	106.4 Å²	106.4	65%	0.653	57%	0.569	S	S	*	*	H	α-helix	trans	-70	-23	177	0	0	0	0	0	113.9	P132 M134	P132-A136 PolarHBondContact O-N 3.07Å; M134-A136 VanDerWaalsContact C-N 3.33Å
137	E	28.7	Very low	31.8	Very low	172 Å²	172	113 Å²	113	80%	0.804	60%	0.6	S	S	*	*	H	α-helix	trans	-89.2	-17.4	175	-77.2	-176.5	160.2	0	0	113.3	M134 L135	M134-E137 PolarHBondContact O-N 3.21Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 3Å
138	L	28.5	Very low	31.7	Very low	129 Å²	129	108.8 Å²	108.8	68%	0.675	60%	0.596	S	S	*	*	H	α-helix	trans	-104.6	-6.1	-177	-88.7	153	0	0	0	114.4	M134 L135	M134-L138 PolarHBondContact O-N 3.47Å; L135-L138 PolarHBondContact O-N 3.01Å
139	I	24.8	Very low	31.4	Very low	102 Å²	102	112.1 Å²	112.1	52%	0.523	62%	0.616	S	S	.	*			trans	-116.5	97.7	175.2	-56.3	170.5	0	0	0	108.4	L135 M141	L135-I139 HydrophobicContact CD2-CD1 3.66Å; L135-I139 HydrophobicContact CD2-CG1 4.46Å; L135-I139 WeakPolarHBondContact O-CG1 3.17Å; L135-I139 PolarHBondContact O-N 2.96Å; I139-M141 PolarHBondContact O-N 3.35Å
140	P	28.9	Very low	30.9	Very low	79 Å²	79	114.1 Å²	114.1	51%	0.513	63%	0.627	S	S	.	*			trans	-63.7	128.7	157	24.4	-20.4	0	0	0	106.8
141	M	29	Very low	30.4	Very low	165 Å²	165	116.3 Å²	116.3	81%	0.813	65%	0.648	S	S	*	*			trans	-42.3	124.9	168.3	-73.4	-99.8	-67.2	0	0	109.1	I139 D143	I139-M141 PolarHBondContact O-N 3.35Å; M141-D143 PolarHBondContact O-N 3.11Å
142	P	31.5	Very low	29.9	Very low	108 Å²	108	114.8 Å²	114.8	70%	0.701	66%	0.659	S	S	*	*			trans	-73.5	113.7	172.6	28.6	-29	0	0	0	107.6	I144	P142-I144 PolarHBondContact O-N 2.81Å
143	D	32	Very low	29.4	Very low	158 Å²	158	116 Å²	116	85%	0.845	68%	0.679	S	S	*	*			trans	-61.4	120.1	162.4	-76.8	-35.8	0	0	0	108	M141 C145	M141-D143 PolarHBondContact O-N 3.11Å; D143-C145 PolarHBondContact O-N 3.21Å
144	I	31.1	Very low	29.1	Very low	159 Å²	159	124.7 Å²	124.7	82%	0.815	71%	0.705	S	S	*	*			trans	-61.6	121.4	-177.6	-66.9	160.9	0	0	0	109.4	P142 A146	P142-I144 PolarHBondContact O-N 2.81Å; I144-A146 PolarHBondContact O-N 3.45Å
145	C	27.5	Very low	28.7	Very low	79 Å²	79	128.9 Å²	128.9	53%	0.534	72%	0.724	S	S	.	*			trans	-72	110.3	164.4	-178.7	0	0	0	0	109.1	D143 L147 C148	D143-C145 PolarHBondContact O-N 3.21Å; C145-L147 PolarHBondContact O-N 3.01Å; C145-C148 PolarHBondContact SG-SG 3.02Å
146	A	28.4	Very low	28.5	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	13.6	-175.5	0	0	0	0	0	115.1	I144	I144-A146 PolarHBondContact O-N 3.45Å
147	L	27.3	Very low	28.4	Very low	169 Å²	169	138 Å²	138	89%	0.885	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131	-11.5	-171.2	-88.9	149	0	0	0	116.4	C145	C145-L147 PolarHBondContact O-N 3.01Å
148	C	32.3	Very low	28.1	Very low	88 Å²	88	132.9 Å²	132.9	60%	0.595	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	-5.4	-172.2	59.8	0	0	0	0	119.3	C145 E150	C145-C148 PolarHBondContact SG-SG 3.02Å; C148-E150 VanDerWaalsContact C-N 3.27Å; C148-E150 PolarHBondContact O-N 2.78Å
149	Q	30.3	Very low	27.9	Very low	196 Å²	196	137 Å²	137	92%	0.916	77%	0.767	S	S	*	*			trans	37.7	29.5	168.7	-68.5	-162.9	-4.3	0	0	119.8
150	E	28.9	Very low	27.9	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.813	78%	0.784	S	S	*	*			trans	-138.2	147.2	173.5	-75.9	-155.2	172	0	0	115	C148	C148-E150 VanDerWaalsContact C-N 3.27Å; C148-E150 PolarHBondContact O-N 2.78Å
151	P	26.7	Very low	27.7	Very low	124 Å²	124	142.7 Å²	142.7	81%	0.805	80%	0.803	S	S	*	*			trans	-83.2	113.9	177.9	32.6	-28.9	0	0	0	110.7	G153	P151-G153 PolarHBondContact O-N 2.58Å; P151-G153 VanDerWaalsContact O-N 3.14Å
152	A	29.5	Very low	27.5	Very low	98 Å²	98	137.9 Å²	137.9	81%	0.81	80%	0.795	S	S	*	*			trans	-72.3	107.7	173.9	0	0	0	0	0	110.8
153	G	25.5	Very low	27.3	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	80%	0.797	S	S	*	*			trans	-72.2	143	161.2	0	0	0	0	0	111.4	P151	P151-G153 PolarHBondContact O-N 2.58Å; P151-G153 VanDerWaalsContact O-N 3.14Å
154	Y	30.3	Very low	27	Very low	231 Å²	231	141.3 Å²	141.3	91%	0.906	80%	0.798	S	S	*	*			trans	-133.5	86.1	154.5	-90	-80.5	0	0	0	108.1
155	E	23.8	Very low	26.6	Very low	177 Å²	177	144.8 Å²	144.8	83%	0.827	80%	0.803	S	S	*	*			trans	-86.8	118.9	150.5	-68.6	-178.8	159.8	0	0	107
156	N	24.5	Very low	26.4	Very low	155 Å²	155	147.3 Å²	147.3	83%	0.829	81%	0.81	S	S	*	*			trans	162.9	143.3	141.7	-85	-37.7	0	0	0	113
157	L	27.2	Very low	26.1	Very low	174 Å²	174	146.7 Å²	146.7	91%	0.911	81%	0.805	S	S	*	*			trans	87.1	97.1	175.5	-54.7	159.6	0	0	0	114.2
158	G	22.6	Very low	26	Very low	64 Å²	64	144.4 Å²	144.4	66%	0.66	79%	0.792	S	S	*	*			cis	94.4	94.5	24.1	0	0	0	0	0	111
159	F	23.7	Very low	25.6	Very low	214 Å²	214	144.2 Å²	144.2	94%	0.939	80%	0.797	S	S	*	*			trans	-170.4	111.6	141.2	-101.3	-70.8	0	0	0	111.6
160	L	25.5	Very low	25.3	Very low	168 Å²	168	140 Å²	140	88%	0.88	79%	0.789	S	S	*	*			trans	-82.7	144.2	159.4	-99	136.7	0	0	0	109.6
161	C	23.5	Very low	25.1	Very low	134 Å²	134	136.6 Å²	136.6	91%	0.905	78%	0.784	S	S	*	*			trans	152.5	105	141.1	-171.5	0	0	0	0	109.6
162	G	25.4	Very low	25	Very low	64 Å²	64	140.8 Å²	140.8	66%	0.66	78%	0.784	S	S	*	*				145.8	168.9	90.1	0	0	0	0	0	111.7
163	P	27	Very low	24.9	Very low	112 Å²	112	144.6 Å²	144.6	73%	0.727	79%	0.785	S	S	*	*			trans	-109.4	134.5	-139.6	36.3	-26.8	0	0	0	115.2
164	Y	26.5	Very low	24.9	Very low	225 Å²	225	152.4 Å²	152.4	88%	0.882	80%	0.795	S	S	*	*			trans	-146.6	81.2	156.8	-75.9	-73	0	0	0	111.3
165	Y	22.8	Very low	24.6	Very low	232 Å²	232	146.6 Å²	146.6	91%	0.91	79%	0.785	S	S	*	*			trans	-91	105.8	159	-129.5	-93.8	0	0	0	106.4
166	I	23.5	Very low	24.8	Very low	133 Å²	133	143.8 Å²	143.8	68%	0.682	78%	0.782	S	S	*	*			trans	-94.4	97.4	167	-58	179.8	0	0	0	107.2	I168	I166-I168 HydrophobicContact CG2-CD1 4.22Å; I166-I168 HydrophobicContact CG2-CG1 3.53Å; I166-I168 PolarHBondContact O-N 2.74Å
167	A	21.8	Very low	25	Very low	85 Å²	85	144.4 Å²	144.4	70%	0.702	78%	0.778	S	S	*	*			trans	-76.7	103.7	159.9	0	0	0	0	0	107.9	A169	A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 2.94Å; A167-A169 VanDerWaalsContact O-N 3.15Å
168	I	25.1	Very low	25.1	Very low	121 Å²	121	144.2 Å²	144.2	62%	0.621	78%	0.777	S	S	*	*			trans	-84.3	87.2	168.9	-53.7	-174.5	0	0	0	107.4	I166 F197	I166-I168 HydrophobicContact CG2-CD1 4.22Å; I166-I168 HydrophobicContact CG2-CG1 3.53Å; I166-I168 PolarHBondContact O-N 2.74Å; I168-F197 HydrophobicContact CD1-CE1 3.98Å; I168-F197 HydrophobicContact CD1-CZ 3.8Å
169	A	22.8	Very low	25.4	Very low	83 Å²	83	147.8 Å²	147.8	69%	0.686	78%	0.776	S	S	*	*			trans	-90.3	125.3	162.7	0	0	0	0	0	108.9	A167	A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 2.94Å; A167-A169 VanDerWaalsContact O-N 3.15Å
170	S	24.5	Very low	25.7	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	77%	0.768	S	S	*	*	S	Bend	trans	75.1	142	169.6	85.2	0	0	0	0	118.5	R172	S170-R172 PolarHBondContact O-N 2.52Å
171	S	25.9	Very low	26.1	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	77%	0.766	S	S	*	*	S	Bend	trans	-95.1	36.2	-157.8	60.4	0	0	0	0	115.4
172	R	24.3	Very low	26.5	Very low	212 Å²	212	142.8 Å²	142.8	80%	0.8	75%	0.745	S	S	*	*	S	Bend	trans	-137.8	-4.9	-170.7	-75.3	-168.7	-176.8	179.8	1.8	120.6	S170	S170-R172 PolarHBondContact O-N 2.52Å
173	H	26	Very low	27	Very low	179 Å²	179	147.1 Å²	147.1	83%	0.829	75%	0.746	S	S	*	*			trans	-138.7	123.1	-176.7	-66.3	76	0	0	0	113
174	W	25.6	Very low	27.5	Very low	228 Å²	228	146.6 Å²	146.6	86%	0.864	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-74.9	134.1	168.7	-103.7	48.6	0	0	0	109.9	F177	W174-F177 HydrophobicContact CZ3-CE2 4.24Å
175	P	24.4	Very low	28	Very low	108 Å²	108	143.1 Å²	143.1	70%	0.701	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-84.9	139.1	165.9	0.5	18	0	0	0	110.6
176	P	27.7	Very low	28.6	Very low	119 Å²	119	135.5 Å²	135.5	77%	0.773	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-71.3	140.2	178.1	30.1	-32.5	0	0	0	111	L178	P176-L178 PolarHBondContact O-N 3.48Å
177	F	30.1	Very low	29.2	Very low	167 Å²	167	132.4 Å²	132.4	73%	0.732	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-59.9	118.2	177.2	-78.8	-93.7	0	0	0	110.6	W174	W174-F177 HydrophobicContact CZ3-CE2 4.24Å
178	L	29.5	Very low	30.1	Very low	171 Å²	171	131.7 Å²	131.7	90%	0.895	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-70	140.6	174.2	-93.1	155.1	0	0	0	111.5	P176	P176-L178 PolarHBondContact O-N 3.48Å
179	H	27.7	Very low	30.7	Very low	139 Å²	139	130.8 Å²	130.8	64%	0.644	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-91.1	154.9	-156.7	-129.9	-114.8	0	0	0	114.2	N181	H179-N181 PolarHBondContact O-N 2.87Å
180	E	30.6	Very low	31.4	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.762	67%	0.667	S	S	*	*	S	Bend	trans	66.6	-15.6	143	-85.9	166.6	-178.7	0	0	125.7
181	N	33	Very low	32.2	Very low	157 Å²	157	132.7 Å²	132.7	84%	0.84	66%	0.656	S	S	*	*			trans	-121	15.5	-174.1	-76.9	-32.2	0	0	0	117.3	H179	H179-N181 PolarHBondContact O-N 2.87Å
182	L	33.3	Very low	32.9	Very low	91 Å²	91	132.6 Å²	132.6	48%	0.476	64%	0.644	S	S	.	*			trans	-90	128.2	-178.6	-78.5	154.9	0	0	0	112	D186 Q187 I190	L182-D186 HydrophobicContact CD2-CB 3.87Å; L182-Q187 HydrophobicContact CB-CG 4.17Å; L182-I190 HydrophobicContact CD1-CD1 4.03Å; L182-I190 HydrophobicContact CD2-CD1 4.24Å
183	K	35	Very low	33.7	Very low	154 Å²	154	125.3 Å²	125.3	67%	0.67	63%	0.629	S	S	*	*			trans	-62	149.9	174.2	-68.8	-176.9	-179.6	179.9	0	109.9	H185 D186	K183-H185 PolarHBondContact O-N 2.85Å; K183-D186 PolarHBondContact O-N 2.94Å
184	P	38	Very low	34.3	Very low	101 Å²	101	118.1 Å²	118.1	66%	0.656	60%	0.603	S	S	*	*	H	α-helix	trans	-55.5	-28	-174.4	-24.1	31.8	0	0	0	114.4
185	H	37.3	Very low	35.1	Very low	152 Å²	152	111.4 Å²	111.4	70%	0.704	58%	0.584	S	S	*	*	H	α-helix	trans	-76.7	-22.6	-178.6	-149.4	-64.3	0	0	0	113.6	K183	K183-H185 PolarHBondContact O-N 2.85Å
186	D	35	Very low	35.9	Very low	73 Å²	73	110 Å²	110	39%	0.39	57%	0.567	S	S	.	*	H	α-helix	trans	-86.8	-27.5	179.4	-61.2	-39.5	0	0	0	111.5	L182 K183 S188 M189 I190	L182-D186 HydrophobicContact CD2-CB 3.87Å; K183-D186 PolarHBondContact O-N 2.94Å; D186-S188 PolarHBondContact O-N 2.8Å; D186-M189 PolarHBondContact O-N 2.91Å; D186-I190 WeakPolarHBondContact O-CD1 3.24Å; D186-I190 WeakPolarHBondContact O-CG1 3.49Å; D186-I190 PolarHBondContact O-N 3.18Å; D186-I190 VanDerWaalsContact O-N 3.1Å
187	Q	36.7	Very low	36.5	Very low	68 Å²	68	109.4 Å²	109.4	32%	0.318	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-37.2	177.1	-72.8	-177	-21.6	0	0	112.6	L182 Y191	L182-Q187 HydrophobicContact CB-CG 4.17Å; Q187-Y191 WeakPolarHBondContact O-CB 3.22Å; Q187-Y191 PolarHBondContact O-N 3.1Å
188	S	39.9	Very low	36.9	Very low	69 Å²	69	105.5 Å²	105.5	48%	0.483	54%	0.536	S	S	.	.	H	α-helix	trans	-71.7	-37.6	178.3	80.3	0	0	0	0	112.3	D186 Y191 E192	D186-S188 PolarHBondContact O-N 2.8Å; S188-Y191 PolarHBondContact O-N 2.74Å; S188-E192 WeakPolarHBondContact O-CB 3.42Å; S188-E192 PolarHBondContact O-N 3.38Å
189	M	37.4	Very low	37.5	Very low	103 Å²	103	101.6 Å²	101.6	51%	0.507	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-39.2	176.1	-94	-160.3	73.8	0	0	112.4	D186 E192 A193	D186-M189 PolarHBondContact O-N 2.91Å; M189-E192 PolarHBondContact O-N 2.87Å; M189-A193 VanDerWaalsContact O-CB 3.23Å; M189-A193 WeakPolarHBondContact O-CB 3.35Å; M189-A193 PolarHBondContact O-N 3.42Å
190	I	38.4	Very low	38	Very low	96 Å²	96	104.2 Å²	104.2	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-67.1	-41.1	175.5	-68.5	163.5	0	0	0	110.3	L182 D186 G194	L182-I190 HydrophobicContact CD1-CD1 4.03Å; L182-I190 HydrophobicContact CD2-CD1 4.24Å; D186-I190 WeakPolarHBondContact O-CD1 3.24Å; D186-I190 WeakPolarHBondContact O-CG1 3.49Å; D186-I190 PolarHBondContact O-N 3.18Å; D186-I190 VanDerWaalsContact O-N 3.1Å; I190-G194 PolarHBondContact O-N 2.88Å
191	Y	40.1	Very low	38.4	Very low	133 Å²	133	99.3 Å²	99.3	52%	0.522	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-44.5	174.6	-108.9	-87.9	0	0	0	112.3	Q187 S188 G194 L195	Q187-Y191 WeakPolarHBondContact O-CB 3.22Å; Q187-Y191 PolarHBondContact O-N 3.1Å; S188-Y191 PolarHBondContact O-N 2.74Å; Y191-G194 PolarHBondContact O-N 2.77Å; Y191-L195 WeakPolarHBondContact O-CB 3.34Å; Y191-L195 PolarHBondContact O-N 3.05Å
192	E	42	Very low	38.6	Very low	102 Å²	102	95.1 Å²	95.1	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-67.2	-39.1	179.6	-159.8	-165.8	162.2	0	0	111.8	S188 M189 K196	S188-E192 WeakPolarHBondContact O-CB 3.42Å; S188-E192 PolarHBondContact O-N 3.38Å; M189-E192 PolarHBondContact O-N 2.87Å; E192-K196 HydrophobicContact CG-CD 4.42Å; E192-K196 VanDerWaalsContact O-CB 3.32Å; E192-K196 WeakPolarHBondContact O-CB 3.31Å; E192-K196 VanDerWaalsContact O-CG 3.28Å; E192-K196 WeakPolarHBondContact O-CG 3.47Å; E192-K196 PolarHBondContact O-N 2.96Å; E192-K196 WeakPolarHBondContact OE1-CE 3.12Å; E192-K196 IonicContact OE1-NZ 3.31Å; E192-K196 PolarHBondContact OE1-NZ 2.79Å
193	A	39.4	Very low	38.9	Very low	58 Å²	58	94.8 Å²	94.8	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-67.6	-41.3	174.3	0	0	0	0	0	112	M189 K196 F197	M189-A193 VanDerWaalsContact O-CB 3.23Å; M189-A193 WeakPolarHBondContact O-CB 3.35Å; M189-A193 PolarHBondContact O-N 3.42Å; A193-K196 PolarHBondContact O-N 3.47Å; A193-F197 WeakPolarHBondContact O-CB 3.49Å; A193-F197 PolarHBondContact O-N 3.18Å
194	G	39.1	Very low	39	Very low	28 Å²	28	92.7 Å²	92.7	29%	0.289	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-46.6	173.2	0	0	0	0	0	111.9	I190 Y191 F197 H198	I190-G194 PolarHBondContact O-N 2.88Å; Y191-G194 PolarHBondContact O-N 2.77Å; G194-F197 PolarHBondContact O-N 2.87Å; G194-H198 WeakPolarHBondContact O-CB 3.47Å; G194-H198 PolarHBondContact O-N 3.41Å; G194-H198 PolarHBondContact O-ND1 2.97Å
195	L	42.6	Very low	38.9	Very low	87 Å²	87	90 Å²	90	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.8	-137.9	90	0	0	0	111.6	Y191 F197 H198 I199 M222	Y191-L195 WeakPolarHBondContact O-CB 3.34Å; Y191-L195 PolarHBondContact O-N 3.05Å; L195-F197 PolarHBondContact O-N 2.81Å; L195-H198 PolarHBondContact O-N 2.85Å; L195-I199 HydrophobicContact CD2-CD1 4.3Å; L195-I199 HydrophobicContact CG-CD1 4.47Å; L195-I199 WeakPolarHBondContact O-CB 3.43Å; L195-I199 WeakPolarHBondContact O-CD1 3.19Å; L195-I199 WeakPolarHBondContact O-CG1 3.36Å; L195-I199 PolarHBondContact O-N 2.77Å; L195-M222 HydrophobicContact CD1-CE 4.21Å
196	K	41	Very low	38.6	Very low	80 Å²	80	89.1 Å²	89.1	35%	0.348	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-38.9	176.9	-80.7	168.8	171.1	165.2	0	112.4	E192 A193 R200 M375	E192-K196 HydrophobicContact CG-CD 4.42Å; E192-K196 VanDerWaalsContact O-CB 3.32Å; E192-K196 WeakPolarHBondContact O-CB 3.31Å; E192-K196 VanDerWaalsContact O-CG 3.28Å; E192-K196 WeakPolarHBondContact O-CG 3.47Å; E192-K196 PolarHBondContact O-N 2.96Å; E192-K196 WeakPolarHBondContact OE1-CE 3.12Å; E192-K196 IonicContact OE1-NZ 3.31Å; E192-K196 PolarHBondContact OE1-NZ 2.79Å; A193-K196 PolarHBondContact O-N 3.47Å; K196-R200 WeakPolarHBondContact O-CB 3.48Å; K196-R200 PolarHBondContact O-N 2.88Å; K196-M375 HydrophobicContact CD-CE 3.96Å; K196-M375 HydrophobicContact CD-SD 4.42Å
197	F	39.9	Very low	38.9	Very low	106 Å²	106	90.5 Å²	90.5	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-44.1	174.2	-176.1	-97.3	0	0	0	111.3	I168 A193 G194 L195 R200 C201	I168-F197 HydrophobicContact CD1-CE1 3.98Å; I168-F197 HydrophobicContact CD1-CZ 3.8Å; A193-F197 WeakPolarHBondContact O-CB 3.49Å; A193-F197 PolarHBondContact O-N 3.18Å; G194-F197 PolarHBondContact O-N 2.87Å; L195-F197 PolarHBondContact O-N 2.81Å; F197-R200 WeakPolarHBondContact O-CB 3.39Å; F197-R200 PolarHBondContact O-N 2.89Å; F197-C201 PolarHBondContact O-N 3.02Å; F197-C201 PolarHBondContact O-SG 2.83Å
198	H	39.1	Very low	39	Very low	84 Å²	84	94.3 Å²	94.3	39%	0.389	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-39.9	-178.1	-76.6	50.7	0	0	0	112.8	G194 L195 R200 C201 I202 F214	G194-H198 WeakPolarHBondContact O-CB 3.47Å; G194-H198 PolarHBondContact O-N 3.41Å; G194-H198 PolarHBondContact O-ND1 2.97Å; L195-H198 PolarHBondContact O-N 2.85Å; H198-R200 PolarHBondContact O-N 3.38Å; H198-C201 PolarHBondContact O-N 2.91Å; H198-I202 VanDerWaalsContact O-CG1 3.28Å; H198-I202 WeakPolarHBondContact O-CG1 3.44Å; H198-I202 PolarHBondContact O-N 3.42Å; H198-F214 AromaticContact CD2-CE1 3.95Å; H198-F214 AromaticContact CD2-CZ 3.55Å
199	I	43.1	Very low	39	Very low	90 Å²	90	98.2 Å²	98.2	46%	0.462	52%	0.524	S	S	.	.	H	α-helix	trans	-59.6	-35.9	172.1	-70	164.9	0	0	0	110.8	L195 A203	L195-I199 HydrophobicContact CD2-CD1 4.3Å; L195-I199 HydrophobicContact CG-CD1 4.47Å; L195-I199 WeakPolarHBondContact O-CB 3.43Å; L195-I199 WeakPolarHBondContact O-CD1 3.19Å; L195-I199 WeakPolarHBondContact O-CG1 3.36Å; L195-I199 PolarHBondContact O-N 2.77Å; I199-A203 WeakPolarHBondContact O-CB 3.34Å; I199-A203 PolarHBondContact O-N 2.59Å
200	R	37.9	Very low	39.1	Very low	193 Å²	193	102.4 Å²	102.4	73%	0.728	53%	0.534	S	S	*	.	H	α-helix	trans	-71.6	-38.3	178	-149.5	169.7	-174.8	164.7	-2.5	112	K196 F197 H198 A203 T204	K196-R200 WeakPolarHBondContact O-CB 3.48Å; K196-R200 PolarHBondContact O-N 2.88Å; F197-R200 WeakPolarHBondContact O-CB 3.39Å; F197-R200 PolarHBondContact O-N 2.89Å; H198-R200 PolarHBondContact O-N 3.38Å; R200-A203 PolarHBondContact O-N 2.91Å; R200-T204 WeakPolarHBondContact O-CG2 3.43Å; R200-T204 PolarHBondContact O-N 3.34Å; R200-T204 PolarHBondContact O-OG1 2.98Å
201	C	37.6	Very low	39.2	Very low	60 Å²	60	99.3 Å²	99.3	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-65.9	-40.1	173.2	-69.3	0	0	0	0	112.5	F197 H198 T204 A205	F197-C201 PolarHBondContact O-N 3.02Å; F197-C201 PolarHBondContact O-SG 2.83Å; H198-C201 PolarHBondContact O-N 2.91Å; C201-T204 WeakPolarHBondContact CA-OG1 3.3Å; C201-T204 PolarHBondContact O-N 3.3Å; C201-T204 PolarHBondContact O-OG1 2.94Å; C201-A205 PolarHBondContact O-N 3.26Å; C201-A205 VanDerWaalsContact O-N 3.11Å
202	I	38.9	Very low	39.2	Very low	69 Å²	69	98 Å²	98	35%	0.354	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-42	176.1	-66.9	163.3	0	0	0	110.9	H198 T204 A205 V211 F214	H198-I202 VanDerWaalsContact O-CG1 3.28Å; H198-I202 WeakPolarHBondContact O-CG1 3.44Å; H198-I202 PolarHBondContact O-N 3.42Å; I202-T204 PolarHBondContact O-N 2.8Å; I202-A205 PolarHBondContact O-N 2.79Å; I202-V211 HydrophobicContact CG2-CG1 4.36Å; I202-F214 HydrophobicContact CD1-CD1 4.48Å; I202-F214 HydrophobicContact CD1-CE1 4.46Å
203	A	38.5	Very low	39.2	Very low	85 Å²	85	101.1 Å²	101.1	70%	0.702	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	177.2	0	0	0	0	0	114.2	I199 R200	I199-A203 WeakPolarHBondContact O-CB 3.34Å; I199-A203 PolarHBondContact O-N 2.59Å; R200-A203 PolarHBondContact O-N 2.91Å
204	T	36.3	Very low	39.3	Very low	110 Å²	110	102.4 Å²	102.4	68%	0.675	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	0.2	-179.7	53.8	0	0	0	0	113.9	R200 C201 I202	R200-T204 WeakPolarHBondContact O-CG2 3.43Å; R200-T204 PolarHBondContact O-N 3.34Å; R200-T204 PolarHBondContact O-OG1 2.98Å; C201-T204 WeakPolarHBondContact CA-OG1 3.3Å; C201-T204 PolarHBondContact O-N 3.3Å; C201-T204 PolarHBondContact O-OG1 2.94Å; I202-T204 PolarHBondContact O-N 2.8Å
205	A	36	Very low	39.4	Very low	43 Å²	43	104.5 Å²	104.5	36%	0.355	53%	0.533	S	S	.	.			trans	-76.5	125.1	-177.6	0	0	0	0	0	110.6	C201 I202 D207 V211	C201-A205 PolarHBondContact O-N 3.26Å; C201-A205 VanDerWaalsContact O-N 3.11Å; I202-A205 PolarHBondContact O-N 2.79Å; A205-D207 VanDerWaalsContact C-N 3.26Å; A205-D207 PolarHBondContact O-N 2.97Å; A205-V211 HydrophobicContact CB-CG2 4.38Å
206	P	32.7	Very low	39.6	Very low	134 Å²	134	104.6 Å²	104.6	87%	0.87	53%	0.533	S	S	*	.	S	Bend	trans	-77.6	-6.4	-177.5	29.6	-34	0	0	0	114.1
207	D	41.1	Very low	39.7	Very low	102 Å²	102	102.4 Å²	102.4	55%	0.545	53%	0.533	S	S	.	.			trans	-135.8	123.1	-167.9	-145.7	-14.6	0	0	0	112.5	A205 E209	A205-D207 VanDerWaalsContact C-N 3.26Å; A205-D207 PolarHBondContact O-N 2.97Å; D207-E209 PolarHBondContact O-N 2.86Å
208	L	39	Very low	39.7	Very low	149 Å²	149	100.6 Å²	100.6	78%	0.78	53%	0.527	S	S	*	.	H	α-helix	trans	-68.5	-30.5	-173	-89.9	138.2	0	0	0	112.9	R210 V211 D212	L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 2.8Å; L208-V211 WeakPolarHBondContact O-CB 3.46Å; L208-V211 PolarHBondContact O-N 2.9Å; L208-V211 VanDerWaalsContact O-N 3.1Å; L208-D212 PolarHBondContact O-N 2.8Å
209	E	39.5	Very low	39.7	Very low	151 Å²	151	102.8 Å²	102.8	71%	0.706	54%	0.538	S	S	*	.	H	α-helix	trans	-66.8	-29.4	-177.1	-126.9	-174.9	-175.8	0	0	113.1	D207 V211	D207-E209 PolarHBondContact O-N 2.86Å; E209-V211 VanDerWaalsContact C-N 3.33Å
210	R	38.8	Very low	39.7	Very low	190 Å²	190	105.5 Å²	105.5	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-72.7	-27.8	175.2	-109	179.2	-178.6	164.7	2.3	112.5	L208 F214	L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 2.8Å; R210-F214 VanDerWaalsContact O-CB 3.23Å; R210-F214 WeakPolarHBondContact O-CB 3.45Å; R210-F214 PolarHBondContact O-N 2.86Å
211	V	39.7	Very low	39.9	Very low	32 Å²	32	103.8 Å²	103.8	19%	0.194	55%	0.548	C	S	.	.	H	α-helix	trans	-75.5	-39.5	-179.2	179.3	0	0	0	0	110.2	I202 A205 L208 E209 F214 I215	I202-V211 HydrophobicContact CG2-CG1 4.36Å; A205-V211 HydrophobicContact CB-CG2 4.38Å; L208-V211 WeakPolarHBondContact O-CB 3.46Å; L208-V211 PolarHBondContact O-N 2.9Å; L208-V211 VanDerWaalsContact O-N 3.1Å; E209-V211 VanDerWaalsContact C-N 3.33Å; V211-F214 WeakPolarHBondContact O-CB 3.23Å; V211-F214 PolarHBondContact O-N 3.06Å; V211-I215 HydrophobicContact CG1-CD1 3.73Å; V211-I215 HydrophobicContact CG1-CG1 4.37Å; V211-I215 VanDerWaalsContact O-CG1 3.26Å; V211-I215 WeakPolarHBondContact O-CG1 3.14Å; V211-I215 PolarHBondContact O-N 3.33Å
212	D	40.7	Very low	39.7	Very low	106 Å²	106	105.2 Å²	105.2	57%	0.567	55%	0.551	S	S	*	*	H	α-helix	trans	-66.8	-48.6	179.4	-88.9	-14.6	0	0	0	113.5	L208 F214 I215 I216	L208-D212 PolarHBondContact O-N 2.8Å; D212-F214 PolarHBondContact O-N 3.48Å; D212-I215 PolarHBondContact O-N 3.43Å; D212-I216 WeakPolarHBondContact O-CG1 3.48Å; D212-I216 PolarHBondContact O-N 2.81Å; D212-I216 VanDerWaalsContact O-N 3.12Å
213	K	43.3	Very low	39.5	Very low	167 Å²	167	105.1 Å²	105.1	73%	0.726	55%	0.554	S	S	*	*	H	α-helix	trans	-60.5	-29	175.1	-77.7	-178.7	178.1	170.6	0	112.6	G217	K213-G217 PolarHBondContact O-N 2.81Å
214	F	40	Very low	39.5	Very low	84 Å²	84	109.7 Å²	109.7	37%	0.368	56%	0.558	S	S	.	*	H	α-helix	trans	-79.1	-37.7	-179.8	-162.3	-101	0	0	0	112.5	H198 I202 R210 V211 D212 G217 I218	H198-F214 AromaticContact CD2-CE1 3.95Å; H198-F214 AromaticContact CD2-CZ 3.55Å; I202-F214 HydrophobicContact CD1-CD1 4.48Å; I202-F214 HydrophobicContact CD1-CE1 4.46Å; R210-F214 VanDerWaalsContact O-CB 3.23Å; R210-F214 WeakPolarHBondContact O-CB 3.45Å; R210-F214 PolarHBondContact O-N 2.86Å; V211-F214 WeakPolarHBondContact O-CB 3.23Å; V211-F214 PolarHBondContact O-N 3.06Å; D212-F214 PolarHBondContact O-N 3.48Å; F214-G217 PolarHBondContact O-N 3.14Å; F214-I218 HydrophobicContact CD1-CD1 3.88Å; F214-I218 HydrophobicContact CE1-CD1 3.8Å; F214-I218 WeakPolarHBondContact O-CG1 3.31Å; F214-I218 PolarHBondContact O-N 2.92Å
215	I	41.8	Very low	39.6	Very low	73 Å²	73	110.6 Å²	110.6	37%	0.374	55%	0.55	S	S	.	*	H	α-helix	trans	-65.5	-39.6	174.7	-72.1	170.8	0	0	0	110.9	V211 D212 G217 I218 Q219	V211-I215 HydrophobicContact CG1-CD1 3.73Å; V211-I215 HydrophobicContact CG1-CG1 4.37Å; V211-I215 VanDerWaalsContact O-CG1 3.26Å; V211-I215 WeakPolarHBondContact O-CG1 3.14Å; V211-I215 PolarHBondContact O-N 3.33Å; D212-I215 PolarHBondContact O-N 3.43Å; I215-G217 VanDerWaalsContact C-N 3.34Å; I215-G217 PolarHBondContact O-N 2.98Å; I215-I218 PolarHBondContact O-N 3.13Å; I215-Q219 WeakPolarHBondContact O-CG 3.28Å; I215-Q219 PolarHBondContact O-N 2.98Å
216	I	46.4	Very low	39.7	Very low	88 Å²	88	117 Å²	117	45%	0.451	57%	0.565	S	S	.	*	H	α-helix	trans	-60.3	-43.6	175.3	-66.9	166.6	0	0	0	110.8	D212 I218 Q219 E220	D212-I216 WeakPolarHBondContact O-CG1 3.48Å; D212-I216 PolarHBondContact O-N 2.81Å; D212-I216 VanDerWaalsContact O-N 3.12Å; I216-I218 PolarHBondContact O-N 2.9Å; I216-Q219 PolarHBondContact O-N 3.18Å; I216-E220 PolarHBondContact O-N 3.27Å
217	G	42.6	Very low	40	Very low	34 Å²	34	115.9 Å²	115.9	35%	0.351	55%	0.551	S	S	.	*	H	α-helix	trans	-65.5	-31.7	177.2	0	0	0	0	0	114.6	K213 F214 I215	K213-G217 PolarHBondContact O-N 2.81Å; F214-G217 PolarHBondContact O-N 3.14Å; I215-G217 VanDerWaalsContact C-N 3.34Å; I215-G217 PolarHBondContact O-N 2.98Å
218	I	40.9	Very low	40	Very low	68 Å²	68	118 Å²	118	35%	0.349	56%	0.558	S	S	.	*	H	α-helix	trans	-72.9	-38	175	-68.1	173	0	0	0	111	F214 I215 I216 E220 Q221 M222	F214-I218 HydrophobicContact CD1-CD1 3.88Å; F214-I218 HydrophobicContact CE1-CD1 3.8Å; F214-I218 WeakPolarHBondContact O-CG1 3.31Å; F214-I218 PolarHBondContact O-N 2.92Å; I215-I218 PolarHBondContact O-N 3.13Å; I216-I218 PolarHBondContact O-N 2.9Å; I218-E220 VanDerWaalsContact C-N 3.34Å; I218-E220 PolarHBondContact O-N 2.87Å; I218-Q221 PolarHBondContact O-N 3.36Å; I218-M222 HydrophobicContact CG2-CE 3.96Å; I218-M222 HydrophobicContact CG2-CG 3.81Å; I218-M222 WeakPolarHBondContact O-CB 3.38Å; I218-M222 VanDerWaalsContact O-CG 3.22Å; I218-M222 WeakPolarHBondContact O-CG 3.19Å; I218-M222 PolarHBondContact O-N 3.14Å
219	Q	38	Very low	40.2	Very low	130 Å²	130	115 Å²	115	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-33.6	178.9	-77.1	179.3	-38.7	0	0	113	I215 I216 P223	I215-Q219 WeakPolarHBondContact O-CG 3.28Å; I215-Q219 PolarHBondContact O-N 2.98Å; I216-Q219 PolarHBondContact O-N 3.18Å; Q219-P223 WeakPolarHBondContact O-CD 3.37Å
220	E	44.8	Very low	40.1	Very low	147 Å²	147	110.7 Å²	110.7	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-78.1	-24.7	-179.4	-70.9	-179	166.5	0	0	113.9	I216 I218	I216-E220 PolarHBondContact O-N 3.27Å; I218-E220 VanDerWaalsContact C-N 3.34Å; I218-E220 PolarHBondContact O-N 2.87Å
221	Q	41.5	Very low	40.1	Very low	157 Å²	157	105 Å²	105	73%	0.734	51%	0.508	S	S	*	.	H	α-helix	trans	-102.5	-29.7	-171.8	-70.5	-84.1	-24.1	0	0	114.1	I218 P223	I218-Q221 PolarHBondContact O-N 3.36Å; Q221-P223 VanDerWaalsContact C-CD 3.46Å
222	M	33.6	Very low	40	Very low	91 Å²	91	110.9 Å²	110.9	45%	0.448	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.8	-178.1	-82.1	-89.7	-159.7	0	0	116.6	L195 I218 K224	L195-M222 HydrophobicContact CD1-CE 4.21Å; I218-M222 HydrophobicContact CG2-CE 3.96Å; I218-M222 HydrophobicContact CG2-CG 3.81Å; I218-M222 WeakPolarHBondContact O-CB 3.38Å; I218-M222 VanDerWaalsContact O-CG 3.22Å; I218-M222 WeakPolarHBondContact O-CG 3.19Å; I218-M222 PolarHBondContact O-N 3.14Å; M222-K224 PolarHBondContact O-N 3.28Å
223	P	34.7	Very low	40	Very low	67 Å²	67	111 Å²	111	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-72.3	-27.6	-169.6	-21.4	33.1	0	0	0	115.7	Q219 Q221 I227	Q219-P223 WeakPolarHBondContact O-CD 3.37Å; Q221-P223 VanDerWaalsContact C-CD 3.46Å; P223-I227 WeakPolarHBondContact O-CD1 3.42Å; P223-I227 WeakPolarHBondContact O-CG1 3.41Å
224	K	38.7	Very low	39.5	Very low	180 Å²	180	106.3 Å²	106.3	78%	0.783	52%	0.516	S	S	*	.	H	α-helix	trans	-79.4	-28.8	-170	-77.1	-178.9	176.9	175.8	0	114.3	M222	M222-K224 PolarHBondContact O-N 3.28Å
225	Y	38.4	Very low	39.2	Very low	130 Å²	130	108.2 Å²	108.2	51%	0.51	53%	0.528	S	S	.	.	H	α-helix	trans	-97.3	-34.2	-173.4	-155.3	-96.4	0	0	0	112.7	Q228 Q229	Y225-Q228 PolarHBondContact O-N 3.37Å; Y225-Q229 PolarHBondContact O-N 3.19Å
226	W	37.9	Very low	39	Very low	177 Å²	177	111 Å²	111	67%	0.67	54%	0.539	S	S	*	.	H	α-helix	trans	-75.9	-31.6	-174.5	-148.1	70	0	0	0	113.2	N230	W226-N230 PolarHBondContact O-N 3.24Å; W226-N230 PolarHBondContact O-ND2 3.49Å
227	I	38.2	Very low	38.6	Very low	110 Å²	110	112 Å²	112	56%	0.564	55%	0.549	S	S	*	.	H	α-helix	trans	-70.9	-37	175	-63.7	176	0	0	0	110.9	P223 V231	P223-I227 WeakPolarHBondContact O-CD1 3.42Å; P223-I227 WeakPolarHBondContact O-CG1 3.41Å; I227-V231 HydrophobicContact CG2-CG2 4.31Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 WeakPolarHBondContact O-CG2 3.42Å; I227-V231 PolarHBondContact O-N 3.01Å
228	Q	40.5	Very low	38.1	Very low	147 Å²	147	116.7 Å²	116.7	69%	0.687	57%	0.565	S	S	*	*	H	α-helix	trans	-72	-33.9	-177.1	-77.1	-174.6	-17.4	0	0	114	Y225 K232	Y225-Q228 PolarHBondContact O-N 3.37Å; Q228-K232 WeakPolarHBondContact O-CB 3.16Å
229	Q	44.7	Very low	38	Very low	86 Å²	86	116.8 Å²	116.8	40%	0.402	58%	0.576	S	S	.	*	H	α-helix	trans	-81.4	-43	178.7	-94.9	-142	-13.6	0	0	113.5	Y225 V231 K232 Q233	Y225-Q229 PolarHBondContact O-N 3.19Å; Q229-V231 PolarHBondContact O-N 3.13Å; Q229-K232 PolarHBondContact O-N 2.91Å; Q229-Q233 PolarHBondContact O-N 2.86Å
230	N	37.4	Very low	38.1	Very low	60 Å²	60	118.8 Å²	118.8	32%	0.321	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-32.5	-177.4	-76	-31.1	0	0	0	112	W226 S234	W226-N230 PolarHBondContact O-N 3.24Å; W226-N230 PolarHBondContact O-ND2 3.49Å; N230-S234 VanDerWaalsContact O-CB 3.25Å; N230-S234 WeakPolarHBondContact O-CB 3.29Å; N230-S234 PolarHBondContact O-N 3.16Å; N230-S234 VanDerWaalsContact O-N 3.08Å; N230-S234 PolarHBondContact O-OG 2.87Å
231	V	38.2	Very low	37.5	Very low	71 Å²	71	114.9 Å²	114.9	43%	0.43	58%	0.578	S	S	.	*	H	α-helix	trans	-69	-36	173.5	172.8	0	0	0	0	111.7	I227 Q229 M235	I227-V231 HydrophobicContact CG2-CG2 4.31Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 WeakPolarHBondContact O-CG2 3.42Å; I227-V231 PolarHBondContact O-N 3.01Å; Q229-V231 PolarHBondContact O-N 3.13Å; V231-M235 HydrophobicContact CG1-CE 3.65Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 3.37Å
232	K	38.5	Very low	36.9	Very low	156 Å²	156	115.2 Å²	115.2	68%	0.678	59%	0.585	S	S	*	*	H	α-helix	trans	-74.9	-38.5	-178.4	-149	178.1	-171.5	-177.9	0	112.7	Q228 Q229 Q236	Q228-K232 WeakPolarHBondContact O-CB 3.16Å; Q229-K232 PolarHBondContact O-N 2.91Å; K232-Q236 PolarHBondContact O-N 3.48Å
233	Q	38.9	Very low	37	Very low	107 Å²	107	115.5 Å²	115.5	50%	0.5	60%	0.596	S	S	.	*	H	α-helix	trans	-70.4	-36.6	172.8	-78.7	-177.5	-15.9	0	0	112.1	Q229 Q236 V237	Q229-Q233 PolarHBondContact O-N 2.86Å; Q233-Q236 PolarHBondContact O-N 3.04Å; Q233-V237 WeakPolarHBondContact O-CG2 3.41Å; Q233-V237 PolarHBondContact O-N 3.01Å
234	S	33.5	Very low	37	Very low	70 Å²	70	120.4 Å²	120.4	49%	0.49	62%	0.618	S	S	.	*	H	α-helix	trans	-66.9	-36.9	175.9	-56.4	0	0	0	0	112.2	N230 I238	N230-S234 VanDerWaalsContact O-CB 3.25Å; N230-S234 WeakPolarHBondContact O-CB 3.29Å; N230-S234 PolarHBondContact O-N 3.16Å; N230-S234 VanDerWaalsContact O-N 3.08Å; N230-S234 PolarHBondContact O-OG 2.87Å; S234-I238 VanDerWaalsContact O-CD1 3.31Å; S234-I238 WeakPolarHBondContact O-CD1 3.49Å; S234-I238 VanDerWaalsContact O-CG1 3.24Å; S234-I238 WeakPolarHBondContact O-CG1 3.21Å; S234-I238 PolarHBondContact O-N 2.86Å
235	M	33.2	Very low	36.8	Very low	124 Å²	124	119.7 Å²	119.7	61%	0.611	62%	0.623	S	S	*	*	H	α-helix	trans	-71.4	-26.9	175.6	-76.7	-152.9	-110.6	0	0	114.3	V231 A239	V231-M235 HydrophobicContact CG1-CE 3.65Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 3.37Å; M235-A239 PolarHBondContact O-N 2.94Å
236	Q	39.4	Very low	36.5	Very low	130 Å²	130	115.8 Å²	115.8	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-74.8	-30.3	175.5	-78.5	179.7	-37.3	0	0	113.1	K232 Q233	K232-Q236 PolarHBondContact O-N 3.48Å; Q233-Q236 PolarHBondContact O-N 3.04Å
237	V	36.4	Very low	36.4	Very low	110 Å²	110	113.1 Å²	113.1	67%	0.667	62%	0.621	S	S	*	*	H	α-helix	trans	-74.7	-28.4	175.2	176.7	0	0	0	0	111.5	Q233	Q233-V237 WeakPolarHBondContact O-CG2 3.41Å; Q233-V237 PolarHBondContact O-N 3.01Å
238	I	33.2	Very low	36.2	Very low	132 Å²	132	114.9 Å²	114.9	68%	0.677	63%	0.631	S	S	*	*	H	α-helix	trans	-72.9	-26.3	176.5	-67.5	165	0	0	0	112.2	S234 H240	S234-I238 VanDerWaalsContact O-CD1 3.31Å; S234-I238 WeakPolarHBondContact O-CD1 3.49Å; S234-I238 VanDerWaalsContact O-CG1 3.24Å; S234-I238 WeakPolarHBondContact O-CG1 3.21Å; S234-I238 PolarHBondContact O-N 2.86Å; I238-H240 VanDerWaalsContact C-N 3.33Å; I238-H240 PolarHBondContact O-N 2.71Å
239	A	37.7	Very low	35.9	Very low	70 Å²	70	113.4 Å²	113.4	58%	0.579	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	2.2	-177.4	0	0	0	0	0	114.9	M235	M235-A239 PolarHBondContact O-N 2.94Å
240	H	39.8	Very low	35.5	Very low	172 Å²	172	113.2 Å²	113.2	80%	0.796	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	8.1	-177.3	-73.4	-13.8	0	0	0	113.9	I238	I238-H240 VanDerWaalsContact C-N 3.33Å; I238-H240 PolarHBondContact O-N 2.71Å
241	A	32.4	Very low	35.3	Very low	66 Å²	66	114.3 Å²	114.3	55%	0.545	65%	0.648	S	S	.	*			trans	-109.4	55.1	-178.5	0	0	0	0	0	111.5	S243	A241-S243 PolarHBondContact O-N 2.77Å
242	D	29.6	Very low	35.2	Very low	164 Å²	164	113.9 Å²	113.9	88%	0.877	65%	0.652	S	S	*	*			trans	-89.6	78.2	164.6	-80.2	-23.3	0	0	0	108.5
243	S	35.5	Very low	35.1	Very low	97 Å²	97	109.5 Å²	109.5	68%	0.678	64%	0.641	S	S	*	*	S	Bend	trans	-165.5	135.5	157.2	52.5	0	0	0	0	110.4	A241 D245	A241-S243 PolarHBondContact O-N 2.77Å; S243-D245 VanDerWaalsContact C-N 3.3Å; S243-D245 PolarHBondContact O-N 3.11Å
244	D	35	Very low	34.9	Very low	169 Å²	169	108.5 Å²	108.5	90%	0.904	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	13.7	-151.2	-74	-47	0	0	0	118.8
245	D	35	Very low	35.1	Very low	166 Å²	166	110.9 Å²	110.9	89%	0.888	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	6.2	-169	-87.6	-28	0	0	0	116.7	S243	S243-D245 VanDerWaalsContact C-N 3.3Å; S243-D245 PolarHBondContact O-N 3.11Å
246	A	31.3	Very low	35.3	Very low	48 Å²	48	110.8 Å²	110.8	40%	0.397	65%	0.647	S	S	.	*			trans	-110.2	8.1	-163.7	0	0	0	0	0	117.7	N248 T250	A246-N248 PolarHBondContact O-N 3.08Å; A246-T250 PolarHBondContact O-OG1 3.29Å
247	T	35.2	Very low	35.3	Very low	120 Å²	120	111.9 Å²	111.9	74%	0.736	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-11.2	-165.1	45.9	0	0	0	0	116.6
248	N	34.5	Very low	35.4	Very low	148 Å²	148	111.6 Å²	111.6	79%	0.791	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-9.7	-178.2	-83.3	-26.7	0	0	0	115.8	A246	A246-N248 PolarHBondContact O-N 3.08Å
249	V	35.4	Very low	35.7	Very low	116 Å²	116	108.3 Å²	108.3	70%	0.703	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-18.7	-171.6	-178.7	0	0	0	0	112.7
250	T	35.2	Very low	36	Very low	82 Å²	82	109.3 Å²	109.3	50%	0.503	63%	0.63	S	S	.	*	H	α-helix	trans	-91.6	-26.9	-173.3	51	0	0	0	0	113.9	A246 S253 V254	A246-T250 PolarHBondContact O-OG1 3.29Å; T250-S253 PolarHBondContact O-OG 3.18Å; T250-V254 WeakPolarHBondContact O-CG2 3.28Å
251	C	34.2	Very low	36.1	Very low	83 Å²	83	103.5 Å²	103.5	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-75.3	-33.2	176.1	-76.7	0	0	0	0	113.3	L255	C251-L255 WeakPolarHBondContact O-CB 3.37Å; C251-L255 WeakPolarHBondContact O-CD1 3.38Å; C251-L255 PolarHBondContact O-N 3.06Å
252	A	34.3	Very low	36.6	Very low	62 Å²	62	104.3 Å²	104.3	51%	0.512	61%	0.61	S	S	.	*	H	α-helix	trans	-71.2	-41	-176.1	0	0	0	0	0	112.6	E256	A252-E256 VanDerWaalsContact O-CB 3.27Å; A252-E256 WeakPolarHBondContact O-CB 3.35Å; A252-E256 PolarHBondContact O-N 3.22Å
253	S	37	Very low	37.2	Very low	63 Å²	63	99.3 Å²	99.3	44%	0.441	59%	0.591	S	S	.	*	H	α-helix	trans	-71	-33.3	-179.2	61.3	0	0	0	0	113	T250 Q257	T250-S253 PolarHBondContact O-OG 3.18Å; S253-Q257 WeakPolarHBondContact O-CG 3.22Å; S253-Q257 PolarHBondContact O-N 3.45Å
254	V	34.4	Very low	37.6	Very low	87 Å²	87	100 Å²	100	53%	0.527	59%	0.585	S	S	.	*	H	α-helix	trans	-74.8	-38.9	177.6	177.6	0	0	0	0	111.3	T250 L258	T250-V254 WeakPolarHBondContact O-CG2 3.28Å; V254-L258 HydrophobicContact CG1-CD1 4.18Å; V254-L258 WeakPolarHBondContact O-CD1 3.36Å; V254-L258 PolarHBondContact O-N 3.18Å
255	L	37.9	Very low	37.9	Very low	119 Å²	119	97.6 Å²	97.6	62%	0.623	57%	0.571	S	S	*	*	H	α-helix	trans	-68.7	-36.2	174.3	-83.5	161.2	0	0	0	112.7	C251 L258 S259	C251-L255 WeakPolarHBondContact O-CB 3.37Å; C251-L255 WeakPolarHBondContact O-CD1 3.38Å; C251-L255 PolarHBondContact O-N 3.06Å; L255-L258 PolarHBondContact O-N 2.87Å; L255-S259 PolarHBondContact O-N 3.14Å
256	E	38.3	Very low	38.2	Very low	122 Å²	122	93.6 Å²	93.6	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-67.5	-41.6	178.7	-159.6	172.8	-156.2	0	0	111.3	A252 S259 I260	A252-E256 VanDerWaalsContact O-CB 3.27Å; A252-E256 WeakPolarHBondContact O-CB 3.35Å; A252-E256 PolarHBondContact O-N 3.22Å; E256-S259 PolarHBondContact O-N 3.06Å; E256-S259 PolarHBondContact O-OG 2.72Å; E256-I260 HydrophobicContact CG-CD1 4.39Å; E256-I260 WeakPolarHBondContact O-CD1 3.41Å; E256-I260 VanDerWaalsContact O-CG1 3.3Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.34Å; E256-I260 VanDerWaalsContact O-N 3.14Å
257	Q	39.5	Very low	38.7	Very low	154 Å²	154	93.5 Å²	93.5	72%	0.72	55%	0.551	S	S	*	*	H	α-helix	trans	-67.5	-36.5	175	-71.6	-155.5	2.5	0	0	113.5	S253 A261	S253-Q257 WeakPolarHBondContact O-CG 3.22Å; S253-Q257 PolarHBondContact O-N 3.45Å; Q257-A261 PolarHBondContact O-N 3.08Å
258	L	37.4	Very low	38.9	Very low	104 Å²	104	94.9 Å²	94.9	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-36.9	174.5	-81.2	161	0	0	0	112.3	V254 L255 T262	V254-L258 HydrophobicContact CG1-CD1 4.18Å; V254-L258 WeakPolarHBondContact O-CD1 3.36Å; V254-L258 PolarHBondContact O-N 3.18Å; L255-L258 PolarHBondContact O-N 2.87Å; L258-T262 PolarHBondContact O-N 2.83Å; L258-T262 PolarHBondContact O-OG1 2.97Å
259	S	40.9	Very low	39.1	Very low	62 Å²	62	93.3 Å²	93.3	43%	0.434	53%	0.533	S	S	.	.	H	α-helix	trans	-70.7	-34.6	177.5	77.6	0	0	0	0	113.7	L255 E256 T262 A263	L255-S259 PolarHBondContact O-N 3.14Å; E256-S259 PolarHBondContact O-N 3.06Å; E256-S259 PolarHBondContact O-OG 2.72Å; S259-T262 WeakPolarHBondContact CA-OG1 3.5Å; S259-T262 PolarHBondContact O-OG1 3.42Å; S259-A263 WeakPolarHBondContact O-CB 3.2Å; S259-A263 PolarHBondContact O-N 2.69Å
260	I	43.5	Very low	39.2	Very low	92 Å²	92	92.7 Å²	92.7	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-71.7	-40.9	-179.9	-69.2	165.3	0	0	0	109.7	E256 A263 M264	E256-I260 HydrophobicContact CG-CD1 4.39Å; E256-I260 WeakPolarHBondContact O-CD1 3.41Å; E256-I260 VanDerWaalsContact O-CG1 3.3Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.34Å; E256-I260 VanDerWaalsContact O-N 3.14Å; I260-A263 PolarHBondContact O-N 2.98Å; I260-M264 HydrophobicContact CG2-SD 4.25Å; I260-M264 WeakPolarHBondContact O-CB 3.2Å; I260-M264 VanDerWaalsContact O-CG 3.26Å; I260-M264 WeakPolarHBondContact O-CG 3.23Å; I260-M264 PolarHBondContact O-N 3.41Å
261	A	42.6	Very low	39.5	Very low	50 Å²	50	95.7 Å²	95.7	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-42.8	176.5	0	0	0	0	0	112.2	Q257 M264 I265	Q257-A261 PolarHBondContact O-N 3.08Å; A261-M264 PolarHBondContact O-N 3.26Å; A261-I265 WeakPolarHBondContact O-CD1 3.46Å; A261-I265 VanDerWaalsContact O-CG1 3.23Å; A261-I265 WeakPolarHBondContact O-CG1 3.28Å; A261-I265 PolarHBondContact O-N 3.28Å; A261-I265 VanDerWaalsContact O-N 3.13Å
262	T	42.9	Very low	39.6	Very low	83 Å²	83	96.1 Å²	96.1	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-40.4	174.9	28.8	0	0	0	0	112.2	L258 S259 M264 I265 V266	L258-T262 PolarHBondContact O-N 2.83Å; L258-T262 PolarHBondContact O-OG1 2.97Å; S259-T262 WeakPolarHBondContact CA-OG1 3.5Å; S259-T262 PolarHBondContact O-OG1 3.42Å; T262-M264 PolarHBondContact O-N 3.06Å; T262-I265 PolarHBondContact O-N 3.1Å; T262-V266 WeakPolarHBondContact O-CB 2.74Å; T262-V266 VanDerWaalsContact O-CG2 3.28Å; T262-V266 WeakPolarHBondContact O-CG2 3.5Å; T262-V266 PolarHBondContact O-N 3Å
263	A	41	Very low	39.6	Very low	58 Å²	58	102 Å²	102	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-37.8	175.7	0	0	0	0	0	112.6	S259 I260 A267	S259-A263 WeakPolarHBondContact O-CB 3.2Å; S259-A263 PolarHBondContact O-N 2.69Å; I260-A263 PolarHBondContact O-N 2.98Å; A263-A267 WeakPolarHBondContact O-CB 3.2Å; A263-A267 PolarHBondContact O-N 3.35Å
264	M	43.4	Very low	39.3	Very low	113 Å²	113	104.1 Å²	104.1	56%	0.557	56%	0.56	S	S	*	*	H	α-helix	trans	-69.1	-33.9	175.8	-74.8	-174.9	75.9	0	0	113	I260 A261 T262 K268	I260-M264 HydrophobicContact CG2-SD 4.25Å; I260-M264 WeakPolarHBondContact O-CB 3.2Å; I260-M264 VanDerWaalsContact O-CG 3.26Å; I260-M264 WeakPolarHBondContact O-CG 3.23Å; I260-M264 PolarHBondContact O-N 3.41Å; A261-M264 PolarHBondContact O-N 3.26Å; T262-M264 PolarHBondContact O-N 3.06Å; M264-K268 WeakPolarHBondContact O-CB 3.37Å; M264-K268 PolarHBondContact O-N 3.09Å; M264-K268 VanDerWaalsContact O-N 3.13Å
265	I	42.8	Very low	39	Very low	118 Å²	118	108.8 Å²	108.8	61%	0.605	58%	0.576	S	S	*	*	H	α-helix	trans	-71.6	-43.7	175.4	-67.8	165.2	0	0	0	110.3	A261 T262 K268 F269	A261-I265 WeakPolarHBondContact O-CD1 3.46Å; A261-I265 VanDerWaalsContact O-CG1 3.23Å; A261-I265 WeakPolarHBondContact O-CG1 3.28Å; A261-I265 PolarHBondContact O-N 3.28Å; A261-I265 VanDerWaalsContact O-N 3.13Å; T262-I265 PolarHBondContact O-N 3.1Å; I265-K268 PolarHBondContact O-N 2.96Å; I265-F269 WeakPolarHBondContact O-CB 3.43Å; I265-F269 PolarHBondContact O-N 2.91Å
266	V	41.3	Very low	38.6	Very low	82 Å²	82	112 Å²	112	50%	0.497	59%	0.585	S	S	.	*	H	α-helix	trans	-67.3	-40.5	176.8	173.1	0	0	0	0	111.7	T262 F269 I270	T262-V266 WeakPolarHBondContact O-CB 2.74Å; T262-V266 VanDerWaalsContact O-CG2 3.28Å; T262-V266 WeakPolarHBondContact O-CG2 3.5Å; T262-V266 PolarHBondContact O-N 3Å; V266-F269 WeakPolarHBondContact O-CB 2.82Å; V266-F269 PolarHBondContact O-N 3.02Å; V266-I270 HydrophobicContact CG1-CD1 3.78Å; V266-I270 HydrophobicContact CG1-CG1 4.41Å; V266-I270 VanDerWaalsContact O-CG1 3.29Å; V266-I270 WeakPolarHBondContact O-CG1 3.45Å; V266-I270 PolarHBondContact O-N 2.95Å
267	A	40.6	Very low	38.1	Very low	46 Å²	46	111.3 Å²	111.3	38%	0.38	59%	0.591	S	S	.	*	H	α-helix	trans	-64.8	-41.1	176.3	0	0	0	0	0	112.2	A263 F269 I270 I271	A263-A267 WeakPolarHBondContact O-CB 3.2Å; A263-A267 PolarHBondContact O-N 3.35Å; A267-F269 VanDerWaalsContact C-N 3.33Å; A267-F269 PolarHBondContact O-N 3.04Å; A267-I270 PolarHBondContact O-N 3.02Å; A267-I271 WeakPolarHBondContact O-CB 3.21Å; A267-I271 WeakPolarHBondContact O-CD1 3.36Å; A267-I271 WeakPolarHBondContact O-CG1 3.16Å; A267-I271 PolarHBondContact O-N 3Å
268	K	39	Very low	37.5	Very low	148 Å²	148	112.8 Å²	112.8	64%	0.643	60%	0.598	S	S	*	*	H	α-helix	trans	-65.3	-34.6	172.2	-91.7	179.8	171.1	176.9	0	112.7	M264 I265 S272	M264-K268 WeakPolarHBondContact O-CB 3.37Å; M264-K268 PolarHBondContact O-N 3.09Å; M264-K268 VanDerWaalsContact O-N 3.13Å; I265-K268 PolarHBondContact O-N 2.96Å; K268-S272 WeakPolarHBondContact O-CB 3.41Å; K268-S272 PolarHBondContact O-N 2.89Å; K268-S272 VanDerWaalsContact O-N 3.14Å; K268-S272 PolarHBondContact O-OG 2.8Å
269	F	39.1	Very low	36.9	Very low	116 Å²	116	118.8 Å²	118.8	51%	0.509	61%	0.613	S	S	.	*	H	α-helix	trans	-69.4	-36.3	176.4	-165.7	-95.2	0	0	0	112.8	I265 V266 A267 R273	I265-F269 WeakPolarHBondContact O-CB 3.43Å; I265-F269 PolarHBondContact O-N 2.91Å; V266-F269 WeakPolarHBondContact O-CB 2.82Å; V266-F269 PolarHBondContact O-N 3.02Å; A267-F269 VanDerWaalsContact C-N 3.33Å; A267-F269 PolarHBondContact O-N 3.04Å; F269-R273 WeakPolarHBondContact O-CB 3.38Å
270	I	37.1	Very low	36.2	Very low	103 Å²	103	123.3 Å²	123.3	53%	0.528	63%	0.632	S	S	.	*	H	α-helix	trans	-72.7	-39.7	175.7	-67.4	167	0	0	0	110.9	V266 A267 S272	V266-I270 HydrophobicContact CG1-CD1 3.78Å; V266-I270 HydrophobicContact CG1-CG1 4.41Å; V266-I270 VanDerWaalsContact O-CG1 3.29Å; V266-I270 WeakPolarHBondContact O-CG1 3.45Å; V266-I270 PolarHBondContact O-N 2.95Å; A267-I270 PolarHBondContact O-N 3.02Å; I270-S272 VanDerWaalsContact C-N 3.31Å; I270-S272 PolarHBondContact O-N 2.87Å
271	I	42.3	Very low	35.4	Very low	144 Å²	144	124.2 Å²	124.2	74%	0.738	65%	0.646	S	S	*	*	H	α-helix	trans	-69.8	-27.2	179.3	-68.2	165.9	0	0	0	112	A267	A267-I271 WeakPolarHBondContact O-CB 3.21Å; A267-I271 WeakPolarHBondContact O-CD1 3.36Å; A267-I271 WeakPolarHBondContact O-CG1 3.16Å; A267-I271 PolarHBondContact O-N 3Å
272	S	37.2	Very low	34.7	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-3.5	-179.6	84	0	0	0	0	115.1	K268 I270	K268-S272 WeakPolarHBondContact O-CB 3.41Å; K268-S272 PolarHBondContact O-N 2.89Å; K268-S272 VanDerWaalsContact O-N 3.14Å; K268-S272 PolarHBondContact O-OG 2.8Å; I270-S272 VanDerWaalsContact C-N 3.31Å; I270-S272 PolarHBondContact O-N 2.87Å
273	R	33.1	Very low	33.9	Very low	184 Å²	184	129.3 Å²	129.3	69%	0.694	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	2.2	-171.2	-84.4	-153.8	171.6	-168.2	-0.5	117.4	F269	F269-R273 WeakPolarHBondContact O-CB 3.38Å
274	V	31.2	Very low	33.3	Very low	109 Å²	109	131.1 Å²	131.1	66%	0.661	69%	0.685	S	S	*	*			trans	-111.4	77.8	-177.1	-168.9	0	0	0	0	111.9
275	Q	27.8	Very low	32.5	Very low	184 Å²	184	132.7 Å²	132.7	86%	0.86	70%	0.695	S	S	*	*			trans	-86.5	95.8	146.7	-84	-174	-26.4	0	0	107.2
276	F	29.1	Very low	31.6	Very low	188 Å²	188	136.7 Å²	136.7	83%	0.825	71%	0.708	S	S	*	*			trans	-165.4	119.4	155.5	-105.9	-73.6	0	0	0	109.5
277	P	28.7	Very low	30.8	Very low	106 Å²	106	138 Å²	138	69%	0.688	72%	0.716	S	S	*	*			trans	-81.1	151.1	172.6	34.3	-30.7	0	0	0	109.7
278	Q	26.7	Very low	30	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	74%	0.743	S	S	*	*	S	Bend	trans	79	119.1	171.6	-46	-169.1	-5.3	0	0	116.2
279	R	25	Very low	29.2	Very low	230 Å²	230	147 Å²	147	87%	0.868	75%	0.747	S	S	*	*			trans	121.1	11	160.8	-66.2	-172.4	173.6	-166.9	-0.2	119.9
280	L	26.3	Very low	28.4	Very low	158 Å²	158	147.1 Å²	147.1	83%	0.827	76%	0.762	S	S	*	*			trans	-106.2	25.3	170.4	-83.4	164.5	0	0	0	114.9
281	S	26.9	Very low	27.7	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	77%	0.768	S	S	*	*	S	Bend	trans	-87.2	4.6	178.4	52	0	0	0	0	115.5
282	S	28	Very low	26.9	Very low	92 Å²	92	145.4 Å²	145.4	64%	0.643	75%	0.753	S	S	*	*	S	Bend	trans	-125.3	-5.4	-174.2	67.5	0	0	0	0	117.3
283	L	26.5	Very low	26.4	Very low	148 Å²	148	145.9 Å²	145.9	78%	0.775	74%	0.743	S	S	*	*	S	Bend	trans	-107.6	-12.8	-177.7	-113.9	87.3	0	0	0	115.9	L285	L283-L285 VanDerWaalsContact C-N 3.29Å; L283-L285 PolarHBondContact O-N 2.97Å
284	A	28	Very low	26.1	Very low	95 Å²	95	142.6 Å²	142.6	79%	0.785	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	3.2	-179.9	0	0	0	0	0	114.2
285	L	26.5	Very low	25.9	Very low	147 Å²	147	141.7 Å²	141.7	77%	0.77	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	9.1	-169.6	-100.6	158.7	0	0	0	115.8	L283	L283-L285 VanDerWaalsContact C-N 3.29Å; L283-L285 PolarHBondContact O-N 2.97Å
286	K	24.6	Very low	26.3	Very low	202 Å²	202	135.5 Å²	135.5	88%	0.878	70%	0.704	S	S	*	*	S	Bend	trans	-137.3	5	-173.8	-79.2	-171.8	177.6	178.4	0	118.9
287	T	23.5	Very low	26.6	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	69%	0.694	S	S	*	*			trans	-120.4	83.4	176.9	36.8	0	0	0	0	111.9	F289	T287-F289 VanDerWaalsContact C-N 3.29Å; T287-F289 PolarHBondContact O-N 3.26Å
288	K	22.8	Very low	26.7	Very low	217 Å²	217	132.6 Å²	132.6	94%	0.943	69%	0.685	S	S	*	*			trans	-66.4	88.6	158.6	-81.8	-179.1	172.9	-179.2	0	108.4
289	F	22.8	Very low	26.9	Very low	166 Å²	166	129 Å²	129	73%	0.728	67%	0.666	S	S	*	*			trans	-104.6	120.5	160.9	-96.5	-82.1	0	0	0	108.6	T287 F291	T287-F289 VanDerWaalsContact C-N 3.29Å; T287-F289 PolarHBondContact O-N 3.26Å; F289-F291 HydrophobicContact CB-CD2 4.5Å; F289-F291 PolarHBondContact O-N 3.49Å
290	S	22.5	Very low	27.7	Very low	117 Å²	117	118.7 Å²	118.7	82%	0.818	63%	0.63	S	S	*	*			trans	-65	92.5	176.4	54.4	0	0	0	0	110.9
291	F	22	Very low	28.3	Very low	151 Å²	151	120.8 Å²	120.8	66%	0.662	63%	0.627	S	S	*	*			trans	-132.8	15.6	177.7	-103.2	-83.7	0	0	0	113.6	F289 F293	F289-F291 HydrophobicContact CB-CD2 4.5Å; F289-F291 PolarHBondContact O-N 3.49Å; F291-F293 PolarHBondContact O-N 2.79Å
292	S	27	Very low	28.6	Very low	60 Å²	60	119.8 Å²	119.8	42%	0.42	61%	0.612	S	S	.	*	H	α-helix	trans	-77	-22.2	-167.2	72.2	0	0	0	0	115.7	N296	S292-N296 WeakPolarHBondContact O-CB 3.37Å
293	F	26.7	Very low	29.1	Very low	103 Å²	103	122.3 Å²	122.3	45%	0.452	61%	0.608	S	S	.	*	H	α-helix	trans	-85	-34.6	-169.8	-143.6	-99	0	0	0	114.7	F291	F291-F293 PolarHBondContact O-N 2.79Å
294	N	26	Very low	30.1	Very low	115 Å²	115	116.3 Å²	116.3	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-83.1	-36.3	-176.8	-82.2	-7	0	0	0	113.1
295	N	26.8	Very low	30.9	Very low	90 Å²	90	112.5 Å²	112.5	48%	0.481	55%	0.547	S	S	.	.	H	α-helix	trans	-69.3	-37.5	176.9	-78.2	-18.1	0	0	0	111.7	R297 S298 F299	N295-R297 VanDerWaalsContact C-N 3.31Å; N295-R297 PolarHBondContact O-N 2.91Å; N295-S298 PolarHBondContact O-N 3.01Å; N295-F299 HydrophobicContact CB-CD2 4.36Å; N295-F299 VanDerWaalsContact O-CD2 3.3Å; N295-F299 WeakPolarHBondContact O-CD2 3.48Å; N295-F299 PolarHBondContact O-N 2.67Å
296	N	36.8	Very low	32.2	Very low	54 Å²	54	107.7 Å²	107.7	29%	0.289	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-27.5	-179.1	-83	0.4	0	0	0	113.4	S292 A300 D645	S292-N296 WeakPolarHBondContact O-CB 3.37Å; N296-A300 WeakPolarHBondContact O-CA 3.4Å; N296-A300 WeakPolarHBondContact O-CB 3.47Å; N296-A300 PolarHBondContact O-N 3.16Å; N296-D645 PolarHBondContact ND2-O 2.86Å; N296-D645 VanDerWaalsContact ND2-O 3.16Å
297	R	35.5	Very low	33.8	Very low	165 Å²	165	99.9 Å²	99.9	62%	0.623	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-39.6	173.4	-78.1	-175.4	174.2	-175.6	-1.3	112.4	N295 R301	N295-R297 VanDerWaalsContact C-N 3.31Å; N295-R297 PolarHBondContact O-N 2.91Å; R297-R301 PolarHBondContact O-N 2.95Å
298	S	29.5	Very low	35.5	Very low	69 Å²	69	95.1 Å²	95.1	48%	0.483	46%	0.461	S	S	.	.	H	α-helix	trans	-71.4	-44.5	178.4	-50.5	0	0	0	0	111.3	N295 R301 I302	N295-S298 PolarHBondContact O-N 3.01Å; S298-R301 PolarHBondContact O-N 3.11Å; S298-I302 WeakPolarHBondContact O-CG1 3.35Å
299	F	31.6	Very low	37.3	Very low	110 Å²	110	88.1 Å²	88.1	48%	0.482	44%	0.436	S	S	.	.	H	α-helix	trans	-70.7	-35.1	176.1	-83.4	-78.3	0	0	0	113	N295 R301 I302 Y303	N295-F299 HydrophobicContact CB-CD2 4.36Å; N295-F299 VanDerWaalsContact O-CD2 3.3Å; N295-F299 WeakPolarHBondContact O-CD2 3.48Å; N295-F299 PolarHBondContact O-N 2.67Å; F299-R301 VanDerWaalsContact C-N 3.26Å; F299-R301 PolarHBondContact O-N 2.97Å; F299-I302 PolarHBondContact O-N 3.37Å; F299-Y303 HydrophobicContact CD1-CD2 4.14Å; F299-Y303 AromaticContact CD1-CE2 3.9Å; F299-Y303 HydrophobicContact CD1-CE2 3.9Å; F299-Y303 HydrophobicContact CE1-CE2 4.38Å; F299-Y303 PolarHBondContact O-N 3.03Å
300	A	41.9	Very low	39.1	Very low	12 Å²	12	84.3 Å²	84.3	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-35	175.7	0	0	0	0	0	111.7	N296 I302 N304 P307	N296-A300 WeakPolarHBondContact O-CA 3.4Å; N296-A300 WeakPolarHBondContact O-CB 3.47Å; N296-A300 PolarHBondContact O-N 3.16Å; A300-I302 PolarHBondContact O-N 3.5Å; A300-N304 HydrophobicContact CB-CB 4.3Å; A300-N304 CarbonylContact O-C 3.58Å; A300-N304 VanDerWaalsContact O-CA 3.27Å; A300-N304 WeakPolarHBondContact O-CA 3.38Å; A300-N304 WeakPolarHBondContact O-CB 3.15Å; A300-N304 PolarHBondContact O-N 2.98Å; A300-P307 HydrophobicContact CB-CG 3.99Å
301	R	38.1	Very low	40.7	Very low	203 Å²	203	83.9 Å²	83.9	77%	0.766	40%	0.4	S	S	*	.	H	α-helix	trans	-66.6	-22.6	173.6	-74.6	179.2	178.7	174.2	-0.5	113.8	R297 S298 F299	R297-R301 PolarHBondContact O-N 2.95Å; S298-R301 PolarHBondContact O-N 3.11Å; F299-R301 VanDerWaalsContact C-N 3.26Å; F299-R301 PolarHBondContact O-N 2.97Å
302	I	33.5	Very low	42	Very low	90 Å²	90	77 Å²	77	46%	0.462	37%	0.37	S	S	.	.	H	α-helix	trans	-91.5	-37.1	-176.7	-62	169.1	0	0	0	111.3	S298 F299 A300	S298-I302 WeakPolarHBondContact O-CG1 3.35Å; F299-I302 PolarHBondContact O-N 3.37Å; A300-I302 PolarHBondContact O-N 3.5Å
303	Y	38.1	Very low	42.8	Very low	144 Å²	144	76.8 Å²	76.8	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-111.6	-26.9	-172.5	-70.4	-80.5	0	0	0	114	F299 S679	F299-Y303 HydrophobicContact CD1-CD2 4.14Å; F299-Y303 AromaticContact CD1-CE2 3.9Å; F299-Y303 HydrophobicContact CD1-CE2 3.9Å; F299-Y303 HydrophobicContact CE1-CE2 4.38Å; F299-Y303 PolarHBondContact O-N 3.03Å; Y303-S679 WeakPolarHBondContact O-CB 3.48Å; Y303-S679 PolarHBondContact O-N 2.89Å
304	N	47.1	Very low	43.3	Very low	23 Å²	23	77.6 Å²	77.6	12%	0.123	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.6	-174.6	-48.4	-12.8	0	0	0	107.5	A300 F306 F642 Q677	A300-N304 HydrophobicContact CB-CB 4.3Å; A300-N304 CarbonylContact O-C 3.58Å; A300-N304 VanDerWaalsContact O-CA 3.27Å; A300-N304 WeakPolarHBondContact O-CA 3.38Å; A300-N304 WeakPolarHBondContact O-CB 3.15Å; A300-N304 PolarHBondContact O-N 2.98Å; N304-F306 VanDerWaalsContact C-N 3.33Å; N304-F306 PolarHBondContact O-N 2.87Å; N304-F642 HydrophobicContact CB-CZ 4.43Å; N304-F642 WeakPolarHBondContact OD1-CZ 3.48Å; N304-Q677 CarbonylContact C-O 3.57Å
305	G	45.3	Very low	43.4	Very low	14 Å²	14	79.8 Å²	79.8	14%	0.144	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	98.8	167.3	0	0	0	0	0	108.6	Q677	G305-Q677 CarbonylContact C-O 3.59Å; G305-Q677 VanDerWaalsContact C-O 3.25Å; G305-Q677 VanDerWaalsContact CA-O 3.23Å; G305-Q677 WeakPolarHBondContact CA-O 3.35Å; G305-Q677 PolarHBondContact N-O 2.98Å; G305-Q677 CarbonylContact O-C 3.43Å; G305-Q677 VanDerWaalsContact O-C 3.26Å; G305-Q677 VanDerWaalsContact O-CA 3.32Å; G305-Q677 WeakPolarHBondContact O-CA 3.28Å; G305-Q677 WeakPolarHBondContact O-CB 3.46Å; G305-Q677 PolarHBondContact O-N 2.92Å
306	F	53.8	Low	44.2	Very low	46 Å²	46	76.4 Å²	76.4	20%	0.202	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	45.7	90	172.2	-165.4	-109.3	0	0	0	116.7	N304 C308 V363 Q367 A387	N304-F306 VanDerWaalsContact C-N 3.33Å; N304-F306 PolarHBondContact O-N 2.87Å; F306-C308 WeakPolarHBondContact CD1-SG 3.49Å; F306-C308 HydrophobicContact CE1-CB 4.1Å; F306-C308 WeakPolarHBondContact CE1-SG 3.47Å; F306-C308 PolarHBondContact O-N 3.15Å; F306-V363 HydrophobicContact CE1-CG1 4.4Å; F306-Q367 HydrophobicContact CD1-CB 4.37Å; F306-Q367 HydrophobicContact CD2-CG 4.25Å; F306-Q367 VanDerWaalsContact CE2-CD 3.45Å; F306-Q367 HydrophobicContact CG-CB 4.34Å; F306-Q367 HydrophobicContact CG-CG 4.28Å; F306-A387 HydrophobicContact CE1-CB 3.7Å; F306-A387 HydrophobicContact CZ-CB 4Å
307	P	58.2	Low	44.8	Very low	39 Å²	39	80 Å²	80	25%	0.253	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	111.7	162.8	31.8	-31.9	0	0	0	110.4	A300 I675 W676	A300-P307 HydrophobicContact CB-CG 3.99Å; P307-I675 CarbonylContact C-O 3.59Å; P307-W676 HydrophobicContact CB-CB 4.31Å
308	C	59.1	Low	45.8	Very low	9 Å²	9	74 Å²	74	6%	0.061	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.4	159.1	-16.5	0	0	0	0	108.4	F306 A387 F389 H674 I675	F306-C308 WeakPolarHBondContact CD1-SG 3.49Å; F306-C308 HydrophobicContact CE1-CB 4.1Å; F306-C308 WeakPolarHBondContact CE1-SG 3.47Å; F306-C308 PolarHBondContact O-N 3.15Å; C308-A387 HydrophobicContact CB-CB 3.95Å; C308-F389 HydrophobicContact CB-CE2 3.8Å; C308-F389 HydrophobicContact CB-CZ 4.04Å; C308-H674 WeakPolarHBondContact O-CA 3.13Å; C308-I675 HydrophobicContact CB-CB 4.33Å; C308-I675 PolarHBondContact N-O 2.91Å; C308-I675 PolarHBondContact O-N 3.42Å
309	T	60.2	Low	47.1	Very low	70 Å²	70	72.2 Å²	72.2	43%	0.429	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.3	173.5	65	0	0	0	0	109	H674	T309-H674 WeakPolarHBondContact CG2-CD2 3.29Å; T309-H674 VanDerWaalsContact CG2-NE2 3.35Å; T309-H674 WeakPolarHBondContact CG2-NE2 3.44Å
310	K	61.8	Low	48.8	Very low	86 Å²	86	67.1 Å²	67.1	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.2	170.3	-168.1	66.4	174.4	-173.4	0	108.3	F389 V673	K310-F389 HydrophobicContact CB-CB 4.48Å; K310-F389 HydrophobicContact CB-CD1 3.85Å; K310-F389 HydrophobicContact CB-CD2 3.74Å; K310-F389 HydrophobicContact CB-CE1 3.89Å; K310-F389 HydrophobicContact CB-CE2 3.78Å; K310-F389 HydrophobicContact CB-CG 3.77Å; K310-F389 HydrophobicContact CB-CZ 3.85Å; K310-F389 HydrophobicContact CD-CB 3.88Å; K310-F389 HydrophobicContact CD-CD2 3.98Å; K310-F389 HydrophobicContact CD-CG 4Å; K310-F389 HydrophobicContact CG-CB 3.93Å; K310-F389 HydrophobicContact CG-CD1 4.09Å; K310-F389 HydrophobicContact CG-CD2 4.04Å; K310-F389 HydrophobicContact CG-CG 3.77Å; K310-V673 PolarHBondContact N-O 3.45Å; K310-V673 PolarHBondContact O-N 2.88Å; K310-V673 VanDerWaalsContact O-N 3.14Å
311	R	55.6	Low	50.1	Low	109 Å²	109	67.9 Å²	67.9	41%	0.411	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.2	158.6	-158.7	179.7	-174.5	165.5	2.3	107.4	F317 E671 Y672	R311-F317 VanDerWaalsContact NH2-CE1 3.3Å; R311-E671 IonicContact CZ-OE2 3.98Å; R311-E671 IonicContact NE-OE2 3.39Å; R311-E671 IonicContact NH2-OE2 3.84Å; R311-E671 PolarHBondContact NH2-OE2 3.48Å; R311-Y672 HydrophobicContact CB-CD1 3.9Å; R311-Y672 HydrophobicContact CB-CE1 3.51Å; R311-Y672 HydrophobicContact CG-CD1 4.23Å; R311-Y672 HydrophobicContact CG-CE1 3.8Å; R311-Y672 HydrophobicContact CG-CE2 4.4Å
312	A	48.8	Very low	51.7	Low	5 Å²	5	58.3 Å²	58.3	4%	0.041	30%	0.303	C	S	.	.			trans	-78.5	129.6	175.6	0	0	0	0	0	110.9	Y320	A312-Y320 HydrophobicContact CB-CE2 3.48Å; A312-Y320 VanDerWaalsContact CB-CE2 3.48Å; A312-Y320 WeakPolarHBondContact CB-OH 3.31Å
313	S	44.8	Very low	54	Low	57 Å²	57	54.1 Å²	54.1	40%	0.399	28%	0.281	S	S	.	.			trans	45.9	112	173.3	50.8	0	0	0	0	115.5	L315 S316	S313-L315 PolarHBondContact O-N 2.75Å; S313-S316 PolarHBondContact O-N 3.26Å; S313-S316 PolarHBondContact OG-O 3.2Å; S313-S316 PolarHBondContact OG-OG 2.82Å
314	S	36.4	Very low	56	Low	120 Å²	120	47.5 Å²	47.5	84%	0.839	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	5.4	173.7	60.5	0	0	0	0	115.5
315	L	29.6	Very low	57.5	Low	161 Å²	161	47 Å²	47	84%	0.843	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	-1.4	-170.9	-78.2	145.4	0	0	0	114	S313	S313-L315 PolarHBondContact O-N 2.75Å
316	S	43.5	Very low	58.6	Low	19 Å²	19	46.7 Å²	46.7	13%	0.133	25%	0.25	C	S	.	.			trans	-149.4	127.7	172.3	63.1	0	0	0	0	112.7	S313 R318	S313-S316 PolarHBondContact O-N 3.26Å; S313-S316 PolarHBondContact OG-O 3.2Å; S313-S316 PolarHBondContact OG-OG 2.82Å; S316-R318 VanDerWaalsContact C-N 3.28Å; S316-R318 PolarHBondContact O-N 2.85Å; S316-R318 PolarHBondContact OG-NE 2.84Å
317	F	48.2	Very low	59.1	Low	130 Å²	130	47.2 Å²	47.2	57%	0.57	26%	0.255	S	S	*	.			trans	-80.8	58.1	-172.2	-71	-89	0	0	0	112.5	R311 T319 E349 E671	R311-F317 VanDerWaalsContact NH2-CE1 3.3Å; F317-T319 PolarHBondContact O-N 3.26Å; F317-E349 WeakPolarHBondContact CA-OE1 3.38Å; F317-E349 WeakPolarHBondContact CB-OE1 3.41Å; F317-E349 PolarHBondContact N-OE1 3.24Å; F317-E671 WeakPolarHBondContact CB-OE1 3.45Å; F317-E671 WeakPolarHBondContact CD1-OE1 3.39Å; F317-E671 VanDerWaalsContact CD1-OE2 3.26Å; F317-E671 WeakPolarHBondContact CD1-OE2 3.23Å
318	R	55.8	Low	59	Low	39 Å²	39	46.4 Å²	46.4	15%	0.147	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-76.2	116.1	-173.2	-66.1	-177.7	-179	-158.4	-7.4	112.7	S316 S355	S316-R318 VanDerWaalsContact C-N 3.28Å; S316-R318 PolarHBondContact O-N 2.85Å; S316-R318 PolarHBondContact OG-NE 2.84Å; R318-S355 PolarHBondContact NH1-OG 3.26Å
319	T	57.6	Low	58.8	Low	30 Å²	30	51.3 Å²	51.3	18%	0.184	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.8	132.7	167.4	-38.6	0	0	0	0	110.9	F317 S346 K347 N669	F317-T319 PolarHBondContact O-N 3.26Å; T319-S346 WeakPolarHBondContact O-CA 3.44Å; T319-K347 PolarHBondContact O-N 2.81Å; T319-N669 HydrophobicContact CG2-CB 4.11Å; T319-N669 WeakPolarHBondContact CG2-OD1 3.25Å
320	Y	67.2	Low	58.1	Low	3 Å²	3	53.8 Å²	53.8	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.7	178.7	-70.8	-65.5	0	0	0	112.1	A312 V344 T652 V673	A312-Y320 HydrophobicContact CB-CE2 3.48Å; A312-Y320 VanDerWaalsContact CB-CE2 3.48Å; A312-Y320 WeakPolarHBondContact CB-OH 3.31Å; Y320-V344 HydrophobicContact CD1-CB 3.92Å; Y320-V344 HydrophobicContact CD1-CG1 3.1Å; Y320-V344 HydrophobicContact CD2-CG1 4.26Å; Y320-V344 HydrophobicContact CE1-CB 3.93Å; Y320-V344 HydrophobicContact CE1-CG1 3.58Å; Y320-V344 HydrophobicContact CG-CG1 3.46Å; Y320-V344 VanDerWaalsContact CG-CG1 3.46Å; Y320-T652 WeakPolarHBondContact O-CB 3.45Å; Y320-T652 PolarHBondContact O-OG1 3.18Å; Y320-V673 HydrophobicContact CD2-CG2 3.6Å; Y320-V673 HydrophobicContact CE2-CG2 3.8Å; Y320-V673 HydrophobicContact CG-CG2 4.17Å
321	L	69	Low	57	Low	28 Å²	28	51.8 Å²	51.8	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-23.6	-176.8	-68.4	174	0	0	0	113.1	G345 K347 D400 V401 T652	L321-G345 PolarHBondContact N-O 3.34Å; L321-K347 HydrophobicContact CD1-CB 3.92Å; L321-K347 HydrophobicContact CD1-CD 4.49Å; L321-K347 HydrophobicContact CD1-CG 4.06Å; L321-K347 HydrophobicContact CG-CB 4.27Å; L321-D400 HydrophobicContact CD1-CB 3.85Å; L321-V401 VanDerWaalsContact CB-O 3.28Å; L321-V401 WeakPolarHBondContact CB-O 3.48Å; L321-T652 HydrophobicContact CD2-CG2 4.34Å
322	A	71.4	Confident	56.2	Low	3 Å²	3	49.7 Å²	49.7	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141	-172.2	0	0	0	0	0	112.1	V344 G345 V401 C404	A322-V344 WeakPolarHBondContact O-CA 3.37Å; A322-V344 WeakPolarHBondContact O-CG1 3.44Å; A322-G345 PolarHBondContact O-N 3.19Å; A322-V401 HydrophobicContact CB-CG1 4.19Å; A322-C404 HydrophobicContact CB-CB 4.18Å; A322-C404 VanDerWaalsContact CB-SG 3.58Å
323	I	83.5	Confident	56.1	Low	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.4	178	-170.1	156.1	0	0	0	111	L342 M343 R405 A665 T667 V673	I323-L342 HydrophobicContact CD1-CD1 3.83Å; I323-L342 HydrophobicContact CG1-CD1 3.75Å; I323-M343 WeakPolarHBondContact CA-O 3.45Å; I323-R405 PolarHBondContact O-NH1 2.98Å; I323-A665 HydrophobicContact CD1-CB 3.57Å; I323-A665 HydrophobicContact CG1-CB 4.22Å; I323-T667 HydrophobicContact CB-CG2 3.74Å; I323-T667 HydrophobicContact CD1-CG2 3.51Å; I323-T667 HydrophobicContact CG1-CG2 4.18Å; I323-T667 HydrophobicContact CG2-CG2 4.27Å; I323-V673 HydrophobicContact CD1-CG1 3.71Å
324	A	79.5	Confident	55.9	Low	5 Å²	5	63.6 Å²	63.6	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	116.5	169.8	0	0	0	0	0	109.7	M343 Y406	A324-M343 HydrophobicContact CB-CE 4.15Å; A324-M343 PolarHBondContact N-O 2.98Å; A324-M343 PolarHBondContact O-N 2.92Å; A324-Y406 HydrophobicContact CB-CD2 3.76Å; A324-Y406 HydrophobicContact CB-CE2 3.58Å
325	I	78	Confident	56.7	Low	13 Å²	13	60.7 Å²	60.7	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.5	171.5	-157.5	168	0	0	0	108.9	L342 S655 W656 H657 L663 A665	I325-L342 HydrophobicContact CB-CD1 4.21Å; I325-L342 HydrophobicContact CG1-CD1 4.27Å; I325-S655 WeakPolarHBondContact CG2-OG 3.4Å; I325-S655 PolarHBondContact N-OG 3.26Å; I325-S655 VanDerWaalsContact N-OG 3.11Å; I325-W656 VanDerWaalsContact CG2-O 3.3Å; I325-W656 WeakPolarHBondContact CG2-O 3.33Å; I325-H657 HydrophobicContact CD1-CB 4.23Å; I325-H657 HydrophobicContact CG2-CB 4.12Å; I325-L663 HydrophobicContact CD1-CD2 4.41Å; I325-A665 HydrophobicContact CB-CB 4.41Å; I325-A665 HydrophobicContact CD1-CB 4.18Å
326	G	68.3	Low	58.2	Low	7 Å²	7	60.5 Å²	60.5	7%	0.072	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	179.3	179.7	0	0	0	0	0	112.1	R341	G326-R341 PolarHBondContact N-O 3.33Å
327	D	64	Low	59.1	Low	57 Å²	57	61.9 Å²	61.9	31%	0.305	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	140	-179.8	-72.9	44.2	0	0	0	113.2	H658 K659	D327-H658 WeakPolarHBondContact CA-NE2 3.27Å; D327-H658 IonicContact OD1-CD2 2.79Å; D327-H658 IonicContact OD1-CE1 3.72Å; D327-H658 PolarHBondContact OD1-CE1 2.9Å; D327-H658 IonicContact OD1-ND1 3.05Å; D327-H658 IonicContact OD1-NE2 2.67Å; D327-H658 PolarHBondContact OD1-NE2 2.9Å; D327-H658 IonicContact OD2-CE1 3.59Å; D327-H658 PolarHBondContact OD2-CE1 2.88Å; D327-H658 IonicContact OD2-NE2 3.68Å; D327-H658 PolarHBondContact OD2-NE2 3.13Å; D327-K659 IonicContact OD2-NZ 3.47Å; D327-K659 PolarHBondContact OD2-NZ 3.18Å
328	A	57.3	Low	60.1	Low	22 Å²	22	56.4 Å²	56.4	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.5	166.4	0	0	0	0	0	110.1	Q339 L340	A328-Q339 CarbonylContact C-O 3.49Å; A328-Q339 WeakPolarHBondContact CA-O 3.3Å; A328-L340 HydrophobicContact CB-CD2 3.7Å
329	F	54.8	Low	61	Low	112 Å²	112	56.9 Å²	56.9	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.8	162.6	-63.3	-86.5	0	0	0	106.9	C331 Q339 R341	F329-C331 PolarHBondContact O-N 2.92Å; F329-C331 VanDerWaalsContact O-N 3.16Å; F329-Q339 PolarHBondContact N-O 2.74Å; F329-Q339 PolarHBondContact O-N 3.36Å; F329-R341 HydrophobicContact CD2-CG 4.25Å; F329-R341 HydrophobicContact CE2-CG 3.98Å
330	T	45.4	Very low	62.1	Low	122 Å²	122	55.5 Å²	55.5	75%	0.748	29%	0.294	S	S	*	.			trans	-73.9	104.7	170.2	44.5	0	0	0	0	107.8
331	C	39.2	Very low	62.8	Low	45 Å²	45	56.4 Å²	56.4	30%	0.304	30%	0.297	S	S	.	.			trans	-67.4	151.7	161.8	-163.2	0	0	0	0	108.8	F329 K365	F329-C331 PolarHBondContact O-N 2.92Å; F329-C331 VanDerWaalsContact O-N 3.16Å; C331-K365 PolarHBondContact O-NZ 3.15Å
332	S	37.7	Very low	63.5	Low	65 Å²	65	55.1 Å²	55.1	46%	0.455	29%	0.29	S	S	.	.			trans	-37.2	158.9	-169.1	58.6	0	0	0	0	116.3	E334 V335	S332-E334 PolarHBondContact O-N 3.46Å; S332-V335 PolarHBondContact O-N 2.89Å; S332-V335 VanDerWaalsContact O-N 3.08Å
333	Q	47.1	Very low	64.2	Low	170 Å²	170	55 Å²	55	79%	0.794	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-23.6	178.3	-74.3	-174.1	-17.1	0	0	113.6
334	E	41.3	Very low	64.3	Low	183 Å²	183	55 Å²	55	86%	0.855	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-21.4	-179.3	-65.3	-177.5	160.1	0	0	114.2	S332	S332-E334 PolarHBondContact O-N 3.46Å
335	V	51.4	Low	64.6	Low	59 Å²	59	54.7 Å²	54.7	36%	0.358	29%	0.287	S	S	.	.			trans	-103.7	118.3	-176.8	-169.1	0	0	0	0	110	S332 M337 K365	S332-V335 PolarHBondContact O-N 2.89Å; S332-V335 VanDerWaalsContact O-N 3.08Å; V335-M337 HydrophobicContact CG1-CB 3.85Å; V335-M337 HydrophobicContact CG1-CG 3.93Å; V335-M337 PolarHBondContact O-N 2.83Å; V335-K365 WeakPolarHBondContact O-CE 3.34Å; V335-K365 PolarHBondContact O-NZ 2.82Å
336	E	62.2	Low	64.9	Low	157 Å²	157	54.1 Å²	54.1	73%	0.734	28%	0.284	S	S	*	.	S	Bend	trans	-68.2	15.6	175.7	-69.1	-165.4	152.7	0	0	114	P364 K365	E336-P364 CarbonylContact O-C 3.55Å; E336-P364 WeakPolarHBondContact O-CA 3.05Å; E336-K365 WeakPolarHBondContact O-CB 3.43Å; E336-K365 PolarHBondContact O-N 3.1Å
337	M	63	Low	65.5	Low	49 Å²	49	58.4 Å²	58.4	24%	0.241	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.3	-176.4	-53.4	-68.5	-78	0	0	110.8	V335 A362 P364 K365	V335-M337 HydrophobicContact CG1-CB 3.85Å; V335-M337 HydrophobicContact CG1-CG 3.93Å; V335-M337 PolarHBondContact O-N 2.83Å; M337-A362 HydrophobicContact CE-CB 3.78Å; M337-A362 WeakPolarHBondContact CE-O 3.34Å; M337-P364 VanDerWaalsContact CE-CD 3.47Å; M337-P364 HydrophobicContact CE-CG 3.86Å; M337-P364 VanDerWaalsContact SD-CA 3.5Å; M337-P364 HydrophobicContact SD-CB 3.9Å; M337-P364 HydrophobicContact SD-CG 3.59Å; M337-P364 VanDerWaalsContact SD-CG 3.59Å; M337-K365 WeakPolarHBondContact O-CE 3.42Å
338	S	68.4	Low	65.8	Low	14 Å²	14	58.7 Å²	58.7	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.3	166.9	-70.7	0	0	0	0	109.3	A362 V363 K365 L368	S338-A362 CarbonylContact O-C 3.58Å; S338-A362 WeakPolarHBondContact O-CA 3.3Å; S338-V363 PolarHBondContact N-O 3.07Å; S338-V363 PolarHBondContact O-N 3.31Å; S338-K365 VanDerWaalsContact OG-CG 3.3Å; S338-K365 WeakPolarHBondContact OG-CG 3.47Å; S338-L368 WeakPolarHBondContact OG-CD1 3.13Å
339	Q	74.3	Confident	66.3	Low	50 Å²	50	59.7 Å²	59.7	23%	0.234	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.9	177.5	-68.8	177.2	-16.8	0	0	110.1	A328 F329 E360	A328-Q339 CarbonylContact C-O 3.49Å; A328-Q339 WeakPolarHBondContact CA-O 3.3Å; F329-Q339 PolarHBondContact N-O 2.74Å; F329-Q339 PolarHBondContact O-N 3.36Å; Q339-E360 PolarHBondContact NE2-OE1 2.75Å; Q339-E360 PolarHBondContact OE1-OE1 3.44Å
340	L	81.2	Confident	66.3	Low	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.8	174.4	-49	175.1	0	0	0	110.1	A328 E360 V361 V363 L660 L663	A328-L340 HydrophobicContact CB-CD2 3.7Å; L340-E360 WeakPolarHBondContact O-CA 3.36Å; L340-V361 HydrophobicContact CB-CB 4.23Å; L340-V361 PolarHBondContact N-O 3.47Å; L340-V361 PolarHBondContact O-N 3.45Å; L340-V363 HydrophobicContact CD1-CG2 3.67Å; L340-V363 HydrophobicContact CG-CG2 4.27Å; L340-L660 HydrophobicContact CD2-CD1 3.83Å; L340-L663 HydrophobicContact CD1-CD2 3.7Å; L340-L663 HydrophobicContact CD2-CD2 4.41Å
341	R	81.1	Confident	66.8	Low	22 Å²	22	63.2 Å²	63.2	8%	0.083	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133	170.4	-64.9	-68.7	177.5	-144.1	-6.6	109.8	G326 F329 E360 R392	G326-R341 PolarHBondContact N-O 3.33Å; F329-R341 HydrophobicContact CD2-CG 4.25Å; F329-R341 HydrophobicContact CE2-CG 3.98Å; R341-E360 IonicContact CZ-OE2 3.55Å; R341-E360 VanDerWaalsContact NH1-CB 3.29Å; R341-E360 VanDerWaalsContact NH1-CG 3.25Å; R341-E360 IonicContact NH1-OE2 2.74Å; R341-E360 PolarHBondContact NH1-OE2 2.91Å; R341-E360 IonicContact NH2-OE2 3.44Å; R341-E360 PolarHBondContact NH2-OE2 3.11Å; R341-R392 VanDerWaalsContact CZ-NH1 3.32Å; R341-R392 VanDerWaalsContact NH1-CZ 3.27Å
342	L	85	Confident	67.9	Low	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	118.9	177.9	-176.9	75.9	0	0	0	110.3	I323 I325 V344 Y359 V361 F389 A665 V673 I675	I323-L342 HydrophobicContact CD1-CD1 3.83Å; I323-L342 HydrophobicContact CG1-CD1 3.75Å; I325-L342 HydrophobicContact CB-CD1 4.21Å; I325-L342 HydrophobicContact CG1-CD1 4.27Å; L342-V344 HydrophobicContact CD2-CG2 3.81Å; L342-V344 HydrophobicContact CG-CG2 3.89Å; L342-Y359 PolarHBondContact N-O 2.9Å; L342-Y359 PolarHBondContact O-N 2.84Å; L342-V361 HydrophobicContact CB-CG2 4.17Å; L342-F389 HydrophobicContact CD2-CE1 4.22Å; L342-A665 HydrophobicContact CD1-CB 3.88Å; L342-V673 HydrophobicContact CD2-CG1 3.76Å; L342-I675 HydrophobicContact CD2-CD1 4.07Å
343	M	85.1	Confident	69.3	Low	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.4	169.9	-82.1	-178.2	-23.4	0	0	110.6	I323 A324 V357 D358 Y406 I414	I323-M343 WeakPolarHBondContact CA-O 3.45Å; A324-M343 HydrophobicContact CB-CE 4.15Å; A324-M343 PolarHBondContact N-O 2.98Å; A324-M343 PolarHBondContact O-N 2.92Å; M343-V357 WeakPolarHBondContact CA-O 3.41Å; M343-D358 HydrophobicContact CG-CB 4.48Å; M343-Y406 HydrophobicContact CE-CD1 3.51Å; M343-Y406 HydrophobicContact CE-CD2 4.07Å; M343-Y406 HydrophobicContact CE-CE1 3.03Å; M343-Y406 HydrophobicContact CE-CE2 3.68Å; M343-Y406 HydrophobicContact CE-CG 4.01Å; M343-Y406 HydrophobicContact CG-CE1 4.12Å; M343-Y406 WeakPolarHBondContact CG-OH 3.18Å; M343-Y406 HydrophobicContact SD-CD1 4.13Å; M343-Y406 HydrophobicContact SD-CE1 3.22Å; M343-Y406 WeakPolarHBondContact SD-CE1 3.39Å; M343-Y406 VanDerWaalsContact SD-CZ 3.51Å; M343-Y406 PolarHBondContact SD-OH 3.35Å; M343-I414 HydrophobicContact CE-CB 4.32Å; M343-I414 HydrophobicContact CE-CD1 4.25Å; M343-I414 HydrophobicContact CE-CG1 3.87Å; M343-I414 HydrophobicContact CE-CG2 3.55Å; M343-I414 HydrophobicContact SD-CB 4.36Å; M343-I414 HydrophobicContact SD-CD1 3.24Å; M343-I414 WeakPolarHBondContact SD-CD1 3.35Å; M343-I414 HydrophobicContact SD-CG1 3.52Å; M343-I414 VanDerWaalsContact SD-CG1 3.52Å; M343-I414 HydrophobicContact SD-CG2 3.91Å
344	V	86.5	Confident	70.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.3	177.5	-154.7	0	0	0	0	109.8	Y320 A322 L342 I356 V357 Y359 T667 V673	Y320-V344 HydrophobicContact CD1-CB 3.92Å; Y320-V344 HydrophobicContact CD1-CG1 3.1Å; Y320-V344 HydrophobicContact CD2-CG1 4.26Å; Y320-V344 HydrophobicContact CE1-CB 3.93Å; Y320-V344 HydrophobicContact CE1-CG1 3.58Å; Y320-V344 HydrophobicContact CG-CG1 3.46Å; Y320-V344 VanDerWaalsContact CG-CG1 3.46Å; A322-V344 WeakPolarHBondContact O-CA 3.37Å; A322-V344 WeakPolarHBondContact O-CG1 3.44Å; L342-V344 HydrophobicContact CD2-CG2 3.81Å; L342-V344 HydrophobicContact CG-CG2 3.89Å; V344-I356 WeakPolarHBondContact O-CA 3.18Å; V344-V357 PolarHBondContact N-O 2.91Å; V344-V357 PolarHBondContact O-N 3.01Å; V344-Y359 HydrophobicContact CG2-CD2 4Å; V344-Y359 HydrophobicContact CG2-CE2 4.16Å; V344-T667 HydrophobicContact CG1-CG2 3.9Å; V344-V673 HydrophobicContact CG1-CG2 3.98Å; V344-V673 HydrophobicContact CG2-CG1 4.36Å; V344-V673 HydrophobicContact CG2-CG2 4.26Å
345	G	85.1	Confident	72.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.2	178.9	0	0	0	0	0	111.8	L321 A322	L321-G345 PolarHBondContact N-O 3.34Å; A322-G345 PolarHBondContact O-N 3.19Å
346	S	84	Confident	74.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	157.2	-179.3	79	0	0	0	0	113.3	T319 S354 S355 V401	T319-S346 WeakPolarHBondContact O-CA 3.44Å; S346-S354 WeakPolarHBondContact O-CB 3.33Å; S346-S355 PolarHBondContact N-O 2.89Å; S346-S355 PolarHBondContact OG-N 3.01Å; S346-S355 PolarHBondContact OG-O 2.79Å; S346-V401 PolarHBondContact O-N 2.9Å; S346-V401 VanDerWaalsContact O-N 3.1Å
347	K	81.7	Confident	75.3	Confident	97 Å²	97	37 Å²	37	42%	0.422	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-76.6	157.4	161.4	-163.2	175.9	176.8	-175.8	0	110.3	T319 L321 E349 D400	T319-K347 PolarHBondContact O-N 2.81Å; L321-K347 HydrophobicContact CD1-CB 3.92Å; L321-K347 HydrophobicContact CD1-CD 4.49Å; L321-K347 HydrophobicContact CD1-CG 4.06Å; L321-K347 HydrophobicContact CG-CB 4.27Å; K347-E349 PolarHBondContact O-N 3.06Å; K347-D400 HydrophobicContact CG-CB 4.4Å; K347-D400 VanDerWaalsContact CG-OD1 3.22Å; K347-D400 WeakPolarHBondContact CG-OD1 3.26Å
348	V	70.8	Confident	76.2	Confident	63 Å²	63	34.8 Å²	34.8	38%	0.382	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-70.1	116.9	174.8	174.9	0	0	0	0	109.4	D400	V348-D400 WeakPolarHBondContact CB-OD1 3.44Å; V348-D400 VanDerWaalsContact CG2-OD1 3.28Å; V348-D400 WeakPolarHBondContact CG2-OD1 3.27Å; V348-D400 PolarHBondContact N-OD1 3.24Å
349	E	65.8	Low	76.9	Confident	44 Å²	44	35.2 Å²	35.2	21%	0.206	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-66.9	138	161.1	56.2	102.5	92.1	0	0	111	F317 K347 S351 N352	F317-E349 WeakPolarHBondContact CA-OE1 3.38Å; F317-E349 WeakPolarHBondContact CB-OE1 3.41Å; F317-E349 PolarHBondContact N-OE1 3.24Å; K347-E349 PolarHBondContact O-N 3.06Å; E349-S351 PolarHBondContact O-N 3.08Å; E349-S351 VanDerWaalsContact O-N 3.08Å; E349-N352 WeakPolarHBondContact CA-O 3.49Å; E349-N352 PolarHBondContact N-O 3.4Å; E349-N352 CarbonylContact O-C 3.59Å; E349-N352 PolarHBondContact O-N 3.41Å
350	E	56.2	Low	77.3	Confident	211 Å²	211	34.2 Å²	34.2	99%	0.986	19%	0.187	S	C	*	.	S	Bend	trans	-54.6	-28.8	170	-73.9	-174.4	170.1	0	0	112.7
351	S	56.2	Low	77.3	Confident	96 Å²	96	34.2 Å²	34.2	67%	0.671	19%	0.187	S	C	*	.	S	Bend	trans	-99.8	-16	-177.6	58.2	0	0	0	0	114.5	E349	E349-S351 PolarHBondContact O-N 3.08Å; E349-S351 VanDerWaalsContact O-N 3.08Å
352	N	60.8	Low	77.2	Confident	76 Å²	76	34.1 Å²	34.1	41%	0.406	19%	0.191	S	C	.	.	S	Bend	trans	-146.3	122	-173.8	-79.6	-46.3	0	0	0	109.9	E349	E349-N352 WeakPolarHBondContact CA-O 3.49Å; E349-N352 PolarHBondContact N-O 3.4Å; E349-N352 CarbonylContact O-C 3.59Å; E349-N352 PolarHBondContact O-N 3.41Å
353	G	67.4	Low	76.7	Confident	48 Å²	48	34.2 Å²	34.2	50%	0.495	19%	0.192	S	C	.	.			trans	-51.7	156.9	174.6	0	0	0	0	0	112.6
354	S	81.4	Confident	75.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	19%	0.193	C	C	.	.			trans	-64.9	159.6	177.6	57	0	0	0	0	111.3	S346 H397 G399	S346-S354 WeakPolarHBondContact O-CB 3.33Å; S354-H397 PolarHBondContact O-N 2.9Å; S354-H397 PolarHBondContact OG-O 2.78Å; S354-G399 WeakPolarHBondContact CB-O 3.44Å; S354-G399 VanDerWaalsContact OG-C 3.24Å; S354-G399 PolarHBondContact OG-O 3.29Å
355	S	82.6	Confident	74.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.4	-179.6	68.1	0	0	0	0	112.4	R318 S346 T394 I395	R318-S355 PolarHBondContact NH1-OG 3.26Å; S346-S355 PolarHBondContact N-O 2.89Å; S346-S355 PolarHBondContact OG-N 3.01Å; S346-S355 PolarHBondContact OG-O 2.79Å; S355-T394 VanDerWaalsContact CB-CG2 3.5Å; S355-I395 CarbonylContact C-O 3.54Å; S355-I395 WeakPolarHBondContact CA-O 3.43Å; S355-I395 VanDerWaalsContact CB-O 3.27Å; S355-I395 WeakPolarHBondContact CB-O 3.24Å
356	I	83	Confident	73.6	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.4	167.9	-54.6	157.2	0	0	0	106.6	V344 T394 I395 V401 T416 F426	V344-I356 WeakPolarHBondContact O-CA 3.18Å; I356-T394 CarbonylContact O-C 3.56Å; I356-T394 WeakPolarHBondContact O-CA 3.26Å; I356-I395 HydrophobicContact CB-CB 4.22Å; I356-I395 HydrophobicContact CD1-CD1 4.46Å; I356-I395 PolarHBondContact N-O 2.89Å; I356-I395 PolarHBondContact O-N 2.91Å; I356-V401 HydrophobicContact CG1-CG1 4.33Å; I356-V401 HydrophobicContact CG1-CG2 3.9Å; I356-T416 HydrophobicContact CD1-CG2 3.36Å; I356-T416 HydrophobicContact CG1-CG2 4.11Å; I356-F426 HydrophobicContact CD1-CD2 3.82Å; I356-F426 HydrophobicContact CD1-CE2 3.48Å; I356-F426 VanDerWaalsContact CD1-CE2 3.48Å; I356-F426 HydrophobicContact CD1-CZ 4.16Å
357	V	81.6	Confident	72.5	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.2	177.6	-169.3	0	0	0	0	108.8	M343 V344 Y359 K391	M343-V357 WeakPolarHBondContact CA-O 3.41Å; V344-V357 PolarHBondContact N-O 2.91Å; V344-V357 PolarHBondContact O-N 3.01Å; V357-Y359 HydrophobicContact CB-CD2 4.27Å; V357-Y359 HydrophobicContact CB-CE2 3.7Å; V357-Y359 HydrophobicContact CG1-CD1 4.47Å; V357-Y359 HydrophobicContact CG1-CD2 3.9Å; V357-Y359 HydrophobicContact CG1-CE1 4.03Å; V357-Y359 HydrophobicContact CG1-CE2 3.4Å; V357-Y359 VanDerWaalsContact CG1-CE2 3.4Å; V357-Y359 HydrophobicContact CG1-CG 4.41Å; V357-Y359 VanDerWaalsContact CG1-CZ 3.47Å; V357-K391 HydrophobicContact CG1-CD 4.18Å; V357-K391 HydrophobicContact CG1-CG 3.82Å
358	D	81.7	Confident	71.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.8	169.9	-172.3	62.3	0	0	0	108.8	M343 R392 F393	M343-D358 HydrophobicContact CG-CB 4.48Å; D358-R392 PolarHBondContact O-N 2.93Å; D358-R392 VanDerWaalsContact OD2-CD 3.31Å; D358-R392 WeakPolarHBondContact OD2-CD 3.3Å; D358-F393 HydrophobicContact CB-CD1 4.08Å; D358-F393 HydrophobicContact CB-CD2 4.16Å; D358-F393 HydrophobicContact CB-CE1 3.59Å; D358-F393 HydrophobicContact CB-CE2 3.67Å; D358-F393 HydrophobicContact CB-CG 4.35Å; D358-F393 HydrophobicContact CB-CZ 3.36Å; D358-F393 PolarHBondContact N-O 3.05Å; D358-F393 WeakPolarHBondContact OD2-CE1 3.37Å
359	Y	82.5	Confident	71.2	Confident	22 Å²	22	39.6 Å²	39.6	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.8	175.8	-69.5	-80.2	0	0	0	110.1	L342 V344 V357 F389 T390 K391	L342-Y359 PolarHBondContact N-O 2.9Å; L342-Y359 PolarHBondContact O-N 2.84Å; V344-Y359 HydrophobicContact CG2-CD2 4Å; V344-Y359 HydrophobicContact CG2-CE2 4.16Å; V357-Y359 HydrophobicContact CB-CD2 4.27Å; V357-Y359 HydrophobicContact CB-CE2 3.7Å; V357-Y359 HydrophobicContact CG1-CD1 4.47Å; V357-Y359 HydrophobicContact CG1-CD2 3.9Å; V357-Y359 HydrophobicContact CG1-CE1 4.03Å; V357-Y359 HydrophobicContact CG1-CE2 3.4Å; V357-Y359 VanDerWaalsContact CG1-CE2 3.4Å; V357-Y359 HydrophobicContact CG1-CG 4.41Å; V357-Y359 VanDerWaalsContact CG1-CZ 3.47Å; Y359-F389 HydrophobicContact CD1-CB 4.4Å; Y359-T390 WeakPolarHBondContact CA-O 3.32Å; Y359-K391 HydrophobicContact CD1-CB 4.17Å; Y359-K391 HydrophobicContact CE1-CB 3.97Å
360	E	83	Confident	70.5	Confident	30 Å²	30	39.9 Å²	39.9	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.7	159.4	-170.9	163.8	158.4	0	0	108.1	Q339 L340 R341 T390 R392	Q339-E360 PolarHBondContact NE2-OE1 2.75Å; Q339-E360 PolarHBondContact OE1-OE1 3.44Å; L340-E360 WeakPolarHBondContact O-CA 3.36Å; R341-E360 IonicContact CZ-OE2 3.55Å; R341-E360 VanDerWaalsContact NH1-CB 3.29Å; R341-E360 VanDerWaalsContact NH1-CG 3.25Å; R341-E360 IonicContact NH1-OE2 2.74Å; R341-E360 PolarHBondContact NH1-OE2 2.91Å; R341-E360 IonicContact NH2-OE2 3.44Å; R341-E360 PolarHBondContact NH2-OE2 3.11Å; E360-T390 PolarHBondContact N-O 3.19Å; E360-T390 PolarHBondContact O-N 2.85Å; E360-R392 HydrophobicContact CB-CG 4.02Å; E360-R392 IonicContact OE2-CZ 3.65Å; E360-R392 IonicContact OE2-NE 2.95Å; E360-R392 PolarHBondContact OE2-NE 3.41Å; E360-R392 IonicContact OE2-NH2 3.76Å
361	V	82	Confident	70.2	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.2	179.4	-170.4	0	0	0	0	108.3	L340 L342 V363 A387 A388 F389 I675	L340-V361 HydrophobicContact CB-CB 4.23Å; L340-V361 PolarHBondContact N-O 3.47Å; L340-V361 PolarHBondContact O-N 3.45Å; L342-V361 HydrophobicContact CB-CG2 4.17Å; V361-V363 HydrophobicContact CG1-CG2 3.83Å; V361-V363 PolarHBondContact O-N 2.92Å; V361-A387 HydrophobicContact CG1-CB 4.38Å; V361-A388 WeakPolarHBondContact CA-O 3.48Å; V361-F389 HydrophobicContact CB-CD1 4.5Å; V361-F389 HydrophobicContact CG1-CD1 4.29Å; V361-F389 HydrophobicContact CG1-CD2 4.37Å; V361-F389 HydrophobicContact CG1-CE1 4.1Å; V361-F389 HydrophobicContact CG1-CE2 4.19Å; V361-F389 HydrophobicContact CG1-CG 4.43Å; V361-F389 HydrophobicContact CG1-CZ 4.06Å; V361-F389 HydrophobicContact CG2-CD1 3.53Å; V361-F389 HydrophobicContact CG2-CE1 3.59Å; V361-F389 HydrophobicContact CG2-CG 4.26Å; V361-F389 HydrophobicContact CG2-CZ 4.37Å; V361-I675 HydrophobicContact CB-CD1 4.18Å; V361-I675 HydrophobicContact CG1-CD1 3.91Å; V361-I675 HydrophobicContact CG2-CD1 3.78Å
362	A	78.8	Confident	69.9	Low	20 Å²	20	32.3 Å²	32.3	17%	0.165	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.1	173	0	0	0	0	0	108.5	M337 S338 A387 A388	M337-A362 HydrophobicContact CE-CB 3.78Å; M337-A362 WeakPolarHBondContact CE-O 3.34Å; S338-A362 CarbonylContact O-C 3.58Å; S338-A362 WeakPolarHBondContact O-CA 3.3Å; A362-A387 CarbonylContact O-C 3.56Å; A362-A387 WeakPolarHBondContact O-CA 3.4Å; A362-A387 WeakPolarHBondContact O-CB 3.46Å; A362-A388 HydrophobicContact CB-CB 4.45Å; A362-A388 PolarHBondContact N-O 3.5Å; A362-A388 PolarHBondContact O-N 2.92Å
363	V	74	Confident	69.2	Low	2 Å²	2	31.8 Å²	31.8	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.6	177.5	-174.8	0	0	0	0	108.8	F306 S338 L340 V361 K365 Q367 L368 A387	F306-V363 HydrophobicContact CE1-CG1 4.4Å; S338-V363 PolarHBondContact N-O 3.07Å; S338-V363 PolarHBondContact O-N 3.31Å; L340-V363 HydrophobicContact CD1-CG2 3.67Å; L340-V363 HydrophobicContact CG-CG2 4.27Å; V361-V363 HydrophobicContact CG1-CG2 3.83Å; V361-V363 PolarHBondContact O-N 2.92Å; V363-K365 PolarHBondContact O-N 2.89Å; V363-Q367 HydrophobicContact CG1-CB 4.25Å; V363-L368 HydrophobicContact CB-CD1 4.33Å; V363-L368 HydrophobicContact CB-CD2 4.48Å; V363-L368 HydrophobicContact CB-CG 4.42Å; V363-L368 HydrophobicContact CG1-CD1 4.33Å; V363-L368 HydrophobicContact CG1-CD2 3.87Å; V363-L368 HydrophobicContact CG1-CG 3.89Å; V363-A387 HydrophobicContact CG2-CB 4.05Å
364	P	67	Low	68.3	Low	4 Å²	4	32.6 Å²	32.6	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.2	126.9	172.2	-25.8	29.5	0	0	0	112.4	E336 M337 I366 Q367	E336-P364 CarbonylContact O-C 3.55Å; E336-P364 WeakPolarHBondContact O-CA 3.05Å; M337-P364 VanDerWaalsContact CE-CD 3.47Å; M337-P364 HydrophobicContact CE-CG 3.86Å; M337-P364 VanDerWaalsContact SD-CA 3.5Å; M337-P364 HydrophobicContact SD-CB 3.9Å; M337-P364 HydrophobicContact SD-CG 3.59Å; M337-P364 VanDerWaalsContact SD-CG 3.59Å; P364-I366 HydrophobicContact CB-CG2 3.93Å; P364-I366 PolarHBondContact O-N 2.88Å; P364-I366 VanDerWaalsContact O-N 3.13Å; P364-Q367 HydrophobicContact CB-CB 4.5Å; P364-Q367 HydrophobicContact CB-CG 4.12Å; P364-Q367 HydrophobicContact CG-CG 4.46Å; P364-Q367 WeakPolarHBondContact O-CB 3.4Å; P364-Q367 PolarHBondContact O-N 2.94Å
365	K	67.6	Low	66.4	Low	60 Å²	60	38.3 Å²	38.3	26%	0.261	20%	0.195	S	C	.	.	H	α-helix	trans	-53.8	-34.5	178.5	-76.8	171.2	179.9	162.6	0	111.5	C331 V335 E336 M337 S338 V363 Q367 L368 R369	C331-K365 PolarHBondContact O-NZ 3.15Å; V335-K365 WeakPolarHBondContact O-CE 3.34Å; V335-K365 PolarHBondContact O-NZ 2.82Å; E336-K365 WeakPolarHBondContact O-CB 3.43Å; E336-K365 PolarHBondContact O-N 3.1Å; M337-K365 WeakPolarHBondContact O-CE 3.42Å; S338-K365 VanDerWaalsContact OG-CG 3.3Å; S338-K365 WeakPolarHBondContact OG-CG 3.47Å; V363-K365 PolarHBondContact O-N 2.89Å; K365-Q367 PolarHBondContact O-N 3.28Å; K365-L368 PolarHBondContact O-N 2.68Å; K365-L368 VanDerWaalsContact O-N 3.14Å; K365-R369 PolarHBondContact O-N 2.79Å
366	I	58.5	Low	64.6	Low	35 Å²	35	44.4 Å²	44.4	18%	0.179	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-30.6	176.2	-161.4	166.5	0	0	0	112.9	P364 F372 Y380	P364-I366 HydrophobicContact CB-CG2 3.93Å; P364-I366 PolarHBondContact O-N 2.88Å; P364-I366 VanDerWaalsContact O-N 3.13Å; I366-F372 HydrophobicContact CD1-CD1 4.28Å; I366-F372 HydrophobicContact CD1-CE1 3.65Å; I366-F372 HydrophobicContact CD1-CE2 4.39Å; I366-F372 HydrophobicContact CD1-CZ 3.71Å; I366-F372 HydrophobicContact CG1-CD1 3.97Å; I366-F372 HydrophobicContact CG1-CD2 4.27Å; I366-F372 HydrophobicContact CG1-CE1 3.82Å; I366-F372 HydrophobicContact CG1-CE2 4.12Å; I366-F372 HydrophobicContact CG1-CG 4.19Å; I366-F372 HydrophobicContact CG1-CZ 3.89Å; I366-Y380 HydrophobicContact CD1-CD1 4.3Å; I366-Y380 HydrophobicContact CD1-CD2 4.02Å; I366-Y380 HydrophobicContact CD1-CE2 4.39Å; I366-Y380 HydrophobicContact CD1-CG 3.99Å
367	Q	60	Low	62.9	Low	13 Å²	13	45.4 Å²	45.4	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-81.6	-18.6	178.5	-68.8	170.4	-11.3	0	0	112.9	F306 V363 P364 K365 L377 T385	F306-Q367 HydrophobicContact CD1-CB 4.37Å; F306-Q367 HydrophobicContact CD2-CG 4.25Å; F306-Q367 VanDerWaalsContact CE2-CD 3.45Å; F306-Q367 HydrophobicContact CG-CB 4.34Å; F306-Q367 HydrophobicContact CG-CG 4.28Å; V363-Q367 HydrophobicContact CG1-CB 4.25Å; P364-Q367 HydrophobicContact CB-CB 4.5Å; P364-Q367 HydrophobicContact CB-CG 4.12Å; P364-Q367 HydrophobicContact CG-CG 4.46Å; P364-Q367 WeakPolarHBondContact O-CB 3.4Å; P364-Q367 PolarHBondContact O-N 2.94Å; K365-Q367 PolarHBondContact O-N 3.28Å; Q367-L377 HydrophobicContact CG-CD2 4.33Å; Q367-T385 PolarHBondContact NE2-O 2.7Å
368	L	64.2	Low	61.1	Low	19 Å²	19	49.3 Å²	49.3	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-90.4	-7.5	176.2	-62.5	175.6	0	0	0	112.5	S338 V363 K365 P370 L660 L663	S338-L368 WeakPolarHBondContact OG-CD1 3.13Å; V363-L368 HydrophobicContact CB-CD1 4.33Å; V363-L368 HydrophobicContact CB-CD2 4.48Å; V363-L368 HydrophobicContact CB-CG 4.42Å; V363-L368 HydrophobicContact CG1-CD1 4.33Å; V363-L368 HydrophobicContact CG1-CD2 3.87Å; V363-L368 HydrophobicContact CG1-CG 3.89Å; K365-L368 PolarHBondContact O-N 2.68Å; K365-L368 VanDerWaalsContact O-N 3.14Å; L368-P370 WeakPolarHBondContact O-CD 3.5Å; L368-L660 HydrophobicContact CD1-CD1 3.89Å; L368-L660 HydrophobicContact CD2-CD1 4.09Å; L368-L663 HydrophobicContact CD2-CD1 4.36Å; L368-L663 HydrophobicContact CD2-CD2 4.2Å
369	R	60.1	Low	59.2	Low	143 Å²	143	57.4 Å²	57.4	54%	0.54	29%	0.289	S	S	.	.			trans	-74.5	116.8	179.2	-84.6	-163.4	-172.2	-175.3	6.2	110.3	K365 D371 F372	K365-R369 PolarHBondContact O-N 2.79Å; R369-D371 WeakPolarHBondContact CB-OD1 3.47Å; R369-D371 PolarHBondContact O-N 3.25Å; R369-F372 HydrophobicContact CB-CB 4.23Å; R369-F372 HydrophobicContact CB-CD2 4.25Å; R369-F372 PolarHBondContact O-N 3.14Å
370	P	52.5	Low	57.3	Low	51 Å²	51	63.1 Å²	63.1	33%	0.331	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-36.3	179.4	-14.8	26.7	0	0	0	111.5	L368 F372 L680	L368-P370 WeakPolarHBondContact O-CD 3.5Å; P370-F372 VanDerWaalsContact C-N 3.29Å; P370-F372 PolarHBondContact O-N 3.39Å; P370-L680 HydrophobicContact CB-CD1 4.01Å; P370-L680 WeakPolarHBondContact O-CB 3.42Å; P370-L680 WeakPolarHBondContact O-CD2 3.49Å; P370-L680 WeakPolarHBondContact O-CG 3.37Å
371	D	49.1	Very low	55.4	Low	107 Å²	107	66.4 Å²	66.4	57%	0.572	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.4	-173	60.7	-49.8	0	0	0	114.8	R369 S373	R369-D371 WeakPolarHBondContact CB-OD1 3.47Å; R369-D371 PolarHBondContact O-N 3.25Å; D371-S373 PolarHBondContact O-N 3.01Å
372	F	49.4	Very low	53.3	Low	41 Å²	41	70.7 Å²	70.7	18%	0.18	36%	0.356	C	S	.	.			trans	-78.6	113.5	-179	-117.9	-98.3	0	0	0	110.7	I366 R369 P370 K376 L377 Y380	I366-F372 HydrophobicContact CD1-CD1 4.28Å; I366-F372 HydrophobicContact CD1-CE1 3.65Å; I366-F372 HydrophobicContact CD1-CE2 4.39Å; I366-F372 HydrophobicContact CD1-CZ 3.71Å; I366-F372 HydrophobicContact CG1-CD1 3.97Å; I366-F372 HydrophobicContact CG1-CD2 4.27Å; I366-F372 HydrophobicContact CG1-CE1 3.82Å; I366-F372 HydrophobicContact CG1-CE2 4.12Å; I366-F372 HydrophobicContact CG1-CG 4.19Å; I366-F372 HydrophobicContact CG1-CZ 3.89Å; R369-F372 HydrophobicContact CB-CB 4.23Å; R369-F372 HydrophobicContact CB-CD2 4.25Å; R369-F372 PolarHBondContact O-N 3.14Å; P370-F372 VanDerWaalsContact C-N 3.29Å; P370-F372 PolarHBondContact O-N 3.39Å; F372-K376 HydrophobicContact CD1-CB 3.99Å; F372-K376 HydrophobicContact CE1-CB 3.68Å; F372-K376 HydrophobicContact CE1-CD 4.34Å; F372-L377 HydrophobicContact CB-CD1 4.14Å; F372-L377 HydrophobicContact CD1-CD1 4.02Å; F372-L377 HydrophobicContact CD1-CG 4.44Å; F372-Y380 HydrophobicContact CE1-CD2 4.38Å; F372-Y380 HydrophobicContact CE1-CE2 4.27Å; F372-Y380 HydrophobicContact CZ-CE2 4.46Å
373	S	46.4	Very low	51.6	Low	65 Å²	65	79.3 Å²	79.3	46%	0.455	39%	0.392	S	S	.	.			trans	-75.1	142.1	173.2	58.9	0	0	0	0	111.2	D371 M375 K376	D371-S373 PolarHBondContact O-N 3.01Å; S373-M375 PolarHBondContact O-N 2.94Å; S373-K376 PolarHBondContact O-N 3.05Å
374	D	49.2	Very low	50.2	Low	65 Å²	65	86.4 Å²	86.4	35%	0.348	43%	0.431	S	S	.	.	H	α-helix	trans	-52.9	-28	-179.5	-61.2	-45.1	0	0	0	113.2	K376 L377 S378	D374-K376 VanDerWaalsContact C-N 3.3Å; D374-K376 PolarHBondContact O-N 3.46Å; D374-L377 PolarHBondContact O-N 2.82Å; D374-S378 PolarHBondContact O-N 3.47Å
375	M	41.4	Very low	49.5	Very low	120 Å²	120	88 Å²	88	59%	0.591	44%	0.44	S	S	*	.	H	α-helix	trans	-65	-25.9	176.7	-105.9	-178.2	54.4	0	0	114.7	K196 S373 S378	K196-M375 HydrophobicContact CD-CE 3.96Å; K196-M375 HydrophobicContact CD-SD 4.42Å; S373-M375 PolarHBondContact O-N 2.94Å; M375-S378 PolarHBondContact O-OG 2.74Å
376	K	45.1	Very low	49.3	Very low	128 Å²	128	89.1 Å²	89.1	56%	0.557	46%	0.455	S	S	*	.	H	α-helix	trans	-88	-31.5	173.5	-74.8	-173.8	177.4	-178.2	0	111.2	F372 S373 D374 S378 K379 Y380	F372-K376 HydrophobicContact CD1-CB 3.99Å; F372-K376 HydrophobicContact CE1-CB 3.68Å; F372-K376 HydrophobicContact CE1-CD 4.34Å; S373-K376 PolarHBondContact O-N 3.05Å; D374-K376 VanDerWaalsContact C-N 3.3Å; D374-K376 PolarHBondContact O-N 3.46Å; K376-S378 VanDerWaalsContact C-N 3.29Å; K376-S378 PolarHBondContact O-N 3.25Å; K376-K379 PolarHBondContact O-N 3.39Å; K376-Y380 VanDerWaalsContact O-CD2 3.27Å; K376-Y380 WeakPolarHBondContact O-CD2 3.48Å
377	L	47.9	Very low	49.7	Very low	22 Å²	22	88.1 Å²	88.1	12%	0.115	45%	0.452	C	S	.	.	H	α-helix	trans	-59.3	-37.5	178.8	-95.9	111.8	0	0	0	112.6	Q367 F372 D374 K379 Y380 F381	Q367-L377 HydrophobicContact CG-CD2 4.33Å; F372-L377 HydrophobicContact CB-CD1 4.14Å; F372-L377 HydrophobicContact CD1-CD1 4.02Å; F372-L377 HydrophobicContact CD1-CG 4.44Å; D374-L377 PolarHBondContact O-N 2.82Å; L377-K379 PolarHBondContact O-N 3.24Å; L377-K379 VanDerWaalsContact O-N 3.14Å; L377-Y380 PolarHBondContact O-N 2.97Å; L377-F381 HydrophobicContact CB-CD2 4.13Å; L377-F381 HydrophobicContact CB-CE2 3.73Å; L377-F381 HydrophobicContact CD2-CD2 4.36Å; L377-F381 HydrophobicContact CD2-CE2 3.31Å; L377-F381 HydrophobicContact CD2-CZ 3.51Å; L377-F381 HydrophobicContact CG-CE2 4.09Å; L377-F381 WeakPolarHBondContact O-CD2 3.48Å; L377-F381 PolarHBondContact O-N 2.86Å; L377-F381 VanDerWaalsContact O-N 3.16Å
378	S	42.5	Very low	50.4	Low	87 Å²	87	89.7 Å²	89.7	61%	0.608	47%	0.467	S	S	*	.	H	α-helix	trans	-59.5	-26.1	-179.8	64.5	0	0	0	0	114.5	D374 M375 K376	D374-S378 PolarHBondContact O-N 3.47Å; M375-S378 PolarHBondContact O-OG 2.74Å; K376-S378 VanDerWaalsContact C-N 3.29Å; K376-S378 PolarHBondContact O-N 3.25Å
379	K	41.3	Very low	51.1	Low	171 Å²	171	89.9 Å²	89.9	74%	0.743	47%	0.468	S	S	*	.	H	α-helix	trans	-80.8	-19.7	174.9	-83.9	-173.2	173	-173.7	0	113.8	K376 L377	K376-K379 PolarHBondContact O-N 3.39Å; L377-K379 PolarHBondContact O-N 3.24Å; L377-K379 VanDerWaalsContact O-N 3.14Å
380	Y	43.3	Very low	52.1	Low	142 Å²	142	86.9 Å²	86.9	56%	0.557	47%	0.465	S	S	*	.	H	α-helix	trans	-98.8	-11.7	-179.1	-72.6	-82.2	0	0	0	113.4	I366 F372 K376 L377 S382	I366-Y380 HydrophobicContact CD1-CD1 4.3Å; I366-Y380 HydrophobicContact CD1-CD2 4.02Å; I366-Y380 HydrophobicContact CD1-CE2 4.39Å; I366-Y380 HydrophobicContact CD1-CG 3.99Å; F372-Y380 HydrophobicContact CE1-CD2 4.38Å; F372-Y380 HydrophobicContact CE1-CE2 4.27Å; F372-Y380 HydrophobicContact CZ-CE2 4.46Å; K376-Y380 VanDerWaalsContact O-CD2 3.27Å; K376-Y380 WeakPolarHBondContact O-CD2 3.48Å; L377-Y380 PolarHBondContact O-N 2.97Å; Y380-S382 PolarHBondContact O-N 2.95Å
381	F	43.8	Very low	53.4	Low	99 Å²	99	90.1 Å²	90.1	43%	0.434	47%	0.474	S	S	.	.			trans	-80.4	68.7	171.9	-74.7	-67.1	0	0	0	110.9	L377 T385	L377-F381 HydrophobicContact CB-CD2 4.13Å; L377-F381 HydrophobicContact CB-CE2 3.73Å; L377-F381 HydrophobicContact CD2-CD2 4.36Å; L377-F381 HydrophobicContact CD2-CE2 3.31Å; L377-F381 HydrophobicContact CD2-CZ 3.51Å; L377-F381 HydrophobicContact CG-CE2 4.09Å; L377-F381 WeakPolarHBondContact O-CD2 3.48Å; L377-F381 PolarHBondContact O-N 2.86Å; L377-F381 VanDerWaalsContact O-N 3.16Å; F381-T385 WeakPolarHBondContact CD1-OG1 3.07Å; F381-T385 WeakPolarHBondContact CE1-OG1 3.43Å
382	S	37.3	Very low	54.7	Low	91 Å²	91	91.1 Å²	91.1	64%	0.636	47%	0.47	S	S	*	.	S	Bend	trans	-76.2	152.9	142.6	63.6	0	0	0	0	107.8	Y380 N384	Y380-S382 PolarHBondContact O-N 2.95Å; S382-N384 PolarHBondContact O-N 3.44Å
383	E	43.8	Very low	55.9	Low	200 Å²	200	91 Å²	91	94%	0.935	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	3	-157.7	-65.8	173.1	146.6	0	0	118.6
384	N	43.1	Very low	57.4	Low	152 Å²	152	89.1 Å²	89.1	81%	0.813	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	6.8	-170.7	-86.1	-16.2	0	0	0	117.3	S382 S386	S382-N384 PolarHBondContact O-N 3.44Å; N384-S386 PolarHBondContact O-N 2.87Å
385	T	53.5	Low	58.9	Low	38 Å²	38	86 Å²	86	23%	0.233	44%	0.439	C	S	.	.			trans	-99.4	31.8	-176.9	51.3	0	0	0	0	114.2	Q367 F381	Q367-T385 PolarHBondContact NE2-O 2.7Å; F381-T385 WeakPolarHBondContact CD1-OG1 3.07Å; F381-T385 WeakPolarHBondContact CE1-OG1 3.43Å
386	S	62.6	Low	60.7	Low	82 Å²	82	84 Å²	84	57%	0.573	43%	0.43	S	S	*	.	S	Bend	trans	-82.6	147.6	172.6	72.5	0	0	0	0	111.2	N384 A388	N384-S386 PolarHBondContact O-N 2.87Å; S386-A388 PolarHBondContact O-N 2.97Å
387	A	67.8	Low	62.6	Low	14 Å²	14	78.5 Å²	78.5	12%	0.116	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-67.1	129.3	173.7	0	0	0	0	0	110	F306 C308 V361 A362 V363	F306-A387 HydrophobicContact CE1-CB 3.7Å; F306-A387 HydrophobicContact CZ-CB 4Å; C308-A387 HydrophobicContact CB-CB 3.95Å; V361-A387 HydrophobicContact CG1-CB 4.38Å; A362-A387 CarbonylContact O-C 3.56Å; A362-A387 WeakPolarHBondContact O-CA 3.4Å; A362-A387 WeakPolarHBondContact O-CB 3.46Å; V363-A387 HydrophobicContact CG2-CB 4.05Å
388	A	73.7	Confident	64.4	Low	46 Å²	46	82.2 Å²	82.2	38%	0.38	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.4	-178.4	0	0	0	0	0	110.1	V361 A362 S386	V361-A388 WeakPolarHBondContact CA-O 3.48Å; A362-A388 HydrophobicContact CB-CB 4.45Å; A362-A388 PolarHBondContact N-O 3.5Å; A362-A388 PolarHBondContact O-N 2.92Å; S386-A388 PolarHBondContact O-N 2.97Å
389	F	78.8	Confident	66.4	Low	24 Å²	24	78.6 Å²	78.6	11%	0.105	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.3	172.3	-70.8	-105.1	0	0	0	109.3	C308 K310 L342 Y359 V361 I675	C308-F389 HydrophobicContact CB-CE2 3.8Å; C308-F389 HydrophobicContact CB-CZ 4.04Å; K310-F389 HydrophobicContact CB-CB 4.48Å; K310-F389 HydrophobicContact CB-CD1 3.85Å; K310-F389 HydrophobicContact CB-CD2 3.74Å; K310-F389 HydrophobicContact CB-CE1 3.89Å; K310-F389 HydrophobicContact CB-CE2 3.78Å; K310-F389 HydrophobicContact CB-CG 3.77Å; K310-F389 HydrophobicContact CB-CZ 3.85Å; K310-F389 HydrophobicContact CD-CB 3.88Å; K310-F389 HydrophobicContact CD-CD2 3.98Å; K310-F389 HydrophobicContact CD-CG 4Å; K310-F389 HydrophobicContact CG-CB 3.93Å; K310-F389 HydrophobicContact CG-CD1 4.09Å; K310-F389 HydrophobicContact CG-CD2 4.04Å; K310-F389 HydrophobicContact CG-CG 3.77Å; L342-F389 HydrophobicContact CD2-CE1 4.22Å; Y359-F389 HydrophobicContact CD1-CB 4.4Å; V361-F389 HydrophobicContact CB-CD1 4.5Å; V361-F389 HydrophobicContact CG1-CD1 4.29Å; V361-F389 HydrophobicContact CG1-CD2 4.37Å; V361-F389 HydrophobicContact CG1-CE1 4.1Å; V361-F389 HydrophobicContact CG1-CE2 4.19Å; V361-F389 HydrophobicContact CG1-CG 4.43Å; V361-F389 HydrophobicContact CG1-CZ 4.06Å; V361-F389 HydrophobicContact CG2-CD1 3.53Å; V361-F389 HydrophobicContact CG2-CE1 3.59Å; V361-F389 HydrophobicContact CG2-CG 4.26Å; V361-F389 HydrophobicContact CG2-CZ 4.37Å; F389-I675 HydrophobicContact CE1-CD1 3.77Å; F389-I675 HydrophobicContact CE1-CG1 4.45Å; F389-I675 HydrophobicContact CZ-CD1 3.83Å; F389-I675 HydrophobicContact CZ-CG1 4.27Å
390	T	80.9	Confident	68.7	Low	80 Å²	80	72 Å²	72	49%	0.491	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.5	174.5	-56.9	0	0	0	0	108.7	Y359 E360 R392	Y359-T390 WeakPolarHBondContact CA-O 3.32Å; E360-T390 PolarHBondContact N-O 3.19Å; E360-T390 PolarHBondContact O-N 2.85Å; T390-R392 PolarHBondContact O-N 2.98Å
391	K	80.7	Confident	70.9	Confident	119 Å²	119	65.2 Å²	65.2	52%	0.517	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.6	173.4	175.7	-178.2	173.6	174.1	0	108.7	V357 Y359 T394	V357-K391 HydrophobicContact CG1-CD 4.18Å; V357-K391 HydrophobicContact CG1-CG 3.82Å; Y359-K391 HydrophobicContact CD1-CB 4.17Å; Y359-K391 HydrophobicContact CE1-CB 3.97Å; K391-T394 WeakPolarHBondContact CE-OG1 3.43Å; K391-T394 PolarHBondContact NZ-OG1 2.84Å
392	R	76.2	Confident	73.2	Confident	127 Å²	127	60.8 Å²	60.8	48%	0.479	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-54.4	178.4	-68	-168.2	121.6	-157.2	-7.8	112.7	R341 D358 E360 T390	R341-R392 VanDerWaalsContact CZ-NH1 3.32Å; R341-R392 VanDerWaalsContact NH1-CZ 3.27Å; D358-R392 PolarHBondContact O-N 2.93Å; D358-R392 VanDerWaalsContact OD2-CD 3.31Å; D358-R392 WeakPolarHBondContact OD2-CD 3.3Å; E360-R392 HydrophobicContact CB-CG 4.02Å; E360-R392 IonicContact OE2-CZ 3.65Å; E360-R392 IonicContact OE2-NE 2.95Å; E360-R392 PolarHBondContact OE2-NE 3.41Å; E360-R392 IonicContact OE2-NH2 3.76Å; T390-R392 PolarHBondContact O-N 2.98Å
393	F	74	Confident	75.8	Confident	38 Å²	38	57.1 Å²	57.1	17%	0.167	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	161.4	179.5	58.3	-93.7	0	0	0	110.3	D358 I395 K428 L431	D358-F393 HydrophobicContact CB-CD1 4.08Å; D358-F393 HydrophobicContact CB-CD2 4.16Å; D358-F393 HydrophobicContact CB-CE1 3.59Å; D358-F393 HydrophobicContact CB-CE2 3.67Å; D358-F393 HydrophobicContact CB-CG 4.35Å; D358-F393 HydrophobicContact CB-CZ 3.36Å; D358-F393 PolarHBondContact N-O 3.05Å; D358-F393 WeakPolarHBondContact OD2-CE1 3.37Å; F393-I395 HydrophobicContact CD2-CD1 4.46Å; F393-I395 HydrophobicContact CD2-CG1 3.84Å; F393-I395 HydrophobicContact CE2-CD1 3.92Å; F393-I395 HydrophobicContact CE2-CG1 3.81Å; F393-K428 HydrophobicContact CZ-CG 4.44Å; F393-L431 HydrophobicContact CD2-CD1 4.1Å; F393-L431 HydrophobicContact CE2-CD1 3.56Å; F393-L431 HydrophobicContact CZ-CD1 4.05Å
394	T	79.1	Confident	78.1	Confident	27 Å²	27	47.6 Å²	47.6	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.4	172.6	-75.7	0	0	0	0	109.2	S355 I356 K391 I435	S355-T394 VanDerWaalsContact CB-CG2 3.5Å; I356-T394 CarbonylContact O-C 3.56Å; I356-T394 WeakPolarHBondContact O-CA 3.26Å; K391-T394 WeakPolarHBondContact CE-OG1 3.43Å; K391-T394 PolarHBondContact NZ-OG1 2.84Å; T394-I435 WeakPolarHBondContact O-CD1 3.36Å
395	I	79.2	Confident	80.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120	171.4	-47.6	176.7	0	0	0	107.7	S355 I356 F393 H397 F426 L431 P441	S355-I395 CarbonylContact C-O 3.54Å; S355-I395 WeakPolarHBondContact CA-O 3.43Å; S355-I395 VanDerWaalsContact CB-O 3.27Å; S355-I395 WeakPolarHBondContact CB-O 3.24Å; I356-I395 HydrophobicContact CB-CB 4.22Å; I356-I395 HydrophobicContact CD1-CD1 4.46Å; I356-I395 PolarHBondContact N-O 2.89Å; I356-I395 PolarHBondContact O-N 2.91Å; F393-I395 HydrophobicContact CD2-CD1 4.46Å; F393-I395 HydrophobicContact CD2-CG1 3.84Å; F393-I395 HydrophobicContact CE2-CD1 3.92Å; F393-I395 HydrophobicContact CE2-CG1 3.81Å; I395-H397 PolarHBondContact O-N 2.74Å; I395-F426 HydrophobicContact CD1-CB 4.15Å; I395-F426 HydrophobicContact CD1-CD1 4.17Å; I395-F426 HydrophobicContact CD1-CG 4.04Å; I395-F426 HydrophobicContact CG2-CD1 3.69Å; I395-F426 HydrophobicContact CG2-CE1 3.42Å; I395-F426 VanDerWaalsContact CG2-CE1 3.42Å; I395-F426 HydrophobicContact CG2-CG 4.42Å; I395-F426 HydrophobicContact CG2-CZ 3.94Å; I395-L431 HydrophobicContact CD1-CD1 3.38Å; I395-L431 HydrophobicContact CD1-CD2 4.09Å; I395-L431 HydrophobicContact CD1-CG 4.4Å; I395-L431 HydrophobicContact CG1-CD1 3.81Å; I395-L431 HydrophobicContact CG1-CD2 4.18Å; I395-L431 HydrophobicContact CG2-CD2 4.48Å; I395-P441 HydrophobicContact CB-CG 4.35Å; I395-P441 HydrophobicContact CG2-CB 4.05Å; I395-P441 HydrophobicContact CG2-CG 3.65Å
396	L	81	Confident	82.1	Confident	77 Å²	77	43.1 Å²	43.1	40%	0.403	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.4	168.6	-63.6	174.6	0	0	0	109.3	P441	L396-P441 HydrophobicContact CB-CG 4.3Å
397	H	83.4	Confident	83.4	Confident	13 Å²	13	40 Å²	40	6%	0.06	20%	0.201	C	C	.	.			trans	-121.4	145.4	-176.8	-168.4	-94.3	0	0	0	109.4	S354 I395 G399 V401 T416 Y424 F426	S354-H397 PolarHBondContact O-N 2.9Å; S354-H397 PolarHBondContact OG-O 2.78Å; I395-H397 PolarHBondContact O-N 2.74Å; H397-G399 PolarHBondContact ND1-O 2.89Å; H397-V401 HydrophobicContact CB-CG2 3.97Å; H397-T416 PolarHBondContact CD2-OG1 3.22Å; H397-T416 PolarHBondContact NE2-OG1 3.07Å; H397-Y424 AromaticContact CE1-CD2 3.9Å; H397-Y424 AromaticContact NE2-CD2 3.42Å; H397-Y424 WeakPolarHBondContact NE2-CD2 3.32Å; H397-F426 AromaticContact CD2-CE2 3.94Å
398	N	85.5	Confident	84.4	Confident	100 Å²	100	43.1 Å²	43.1	54%	0.535	22%	0.221	S	C	.	.	S	Bend	trans	-95.7	114.5	177.1	-177.4	12.7	0	0	0	109.1	S418 Y424	N398-S418 WeakPolarHBondContact O-CB 3.47Å; N398-S418 PolarHBondContact O-OG 3.03Å; N398-Y424 HydrophobicContact CB-CE2 4.32Å; N398-Y424 PolarHBondContact ND2-OH 2.96Å
399	G	85.3	Confident	85	Confident	10 Å²	10	44.2 Å²	44.2	10%	0.103	22%	0.218	C	C	.	.	S	Bend	trans	76	166.8	-172.8	0	0	0	0	0	113.5	S354 H397	S354-G399 WeakPolarHBondContact CB-O 3.44Å; S354-G399 VanDerWaalsContact OG-C 3.24Å; S354-G399 PolarHBondContact OG-O 3.29Å; H397-G399 PolarHBondContact ND1-O 2.89Å
400	D	89.1	Confident	85.3	Confident	32 Å²	32	45.6 Å²	45.6	17%	0.171	23%	0.23	C	C	.	.			trans	-57.7	142	-175.4	-52.8	-47.4	0	0	0	111.9	L321 K347 V348 N402 S418 S419	L321-D400 HydrophobicContact CD1-CB 3.85Å; K347-D400 HydrophobicContact CG-CB 4.4Å; K347-D400 VanDerWaalsContact CG-OD1 3.22Å; K347-D400 WeakPolarHBondContact CG-OD1 3.26Å; V348-D400 WeakPolarHBondContact CB-OD1 3.44Å; V348-D400 VanDerWaalsContact CG2-OD1 3.28Å; V348-D400 WeakPolarHBondContact CG2-OD1 3.27Å; V348-D400 PolarHBondContact N-OD1 3.24Å; D400-N402 VanDerWaalsContact C-N 3.32Å; D400-N402 PolarHBondContact O-N 3.27Å; D400-S418 CarbonylContact O-C 3.6Å; D400-S418 VanDerWaalsContact O-CA 3.28Å; D400-S418 WeakPolarHBondContact O-CA 3.07Å; D400-S419 PolarHBondContact N-OG 2.81Å; D400-S419 PolarHBondContact O-N 3.11Å; D400-S419 WeakPolarHBondContact OD2-CB 3.25Å; D400-S419 PolarHBondContact OD2-OG 2.72Å
401	V	90.3	Very high	85.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	79.6	173.5	-171.5	0	0	0	0	109.2	L321 A322 S346 I356 H397 R403 C404 T416	L321-V401 VanDerWaalsContact CB-O 3.28Å; L321-V401 WeakPolarHBondContact CB-O 3.48Å; A322-V401 HydrophobicContact CB-CG1 4.19Å; S346-V401 PolarHBondContact O-N 2.9Å; S346-V401 VanDerWaalsContact O-N 3.1Å; I356-V401 HydrophobicContact CG1-CG1 4.33Å; I356-V401 HydrophobicContact CG1-CG2 3.9Å; H397-V401 HydrophobicContact CB-CG2 3.97Å; V401-R403 VanDerWaalsContact C-N 3.26Å; V401-R403 PolarHBondContact O-N 2.8Å; V401-C404 HydrophobicContact CG1-CB 4.19Å; V401-T416 HydrophobicContact CG1-CG2 4.14Å
402	N	91.8	Very high	85.2	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	-35	-178.1	-73.3	-7.9	0	0	0	113.1	D400 Q417 G454 F455	D400-N402 VanDerWaalsContact C-N 3.32Å; D400-N402 PolarHBondContact O-N 3.27Å; N402-Q417 PolarHBondContact N-O 3Å; N402-G454 WeakPolarHBondContact CB-O 3.44Å; N402-G454 PolarHBondContact ND2-O 2.87Å; N402-F455 HydrophobicContact CB-CD1 3.73Å; N402-F455 HydrophobicContact CB-CE1 3.98Å
403	R	91.8	Very high	85.7	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	146.2	174.1	-168.2	163	-76.8	179.5	13.3	111	V401 R405 T416 Q417 F455 L457 D507	V401-R403 VanDerWaalsContact C-N 3.26Å; V401-R403 PolarHBondContact O-N 2.8Å; R403-R405 HydrophobicContact CG-CG 4.35Å; R403-T416 CarbonylContact O-C 3.12Å; R403-T416 VanDerWaalsContact O-CA 3.24Å; R403-T416 WeakPolarHBondContact O-CA 3.05Å; R403-Q417 HydrophobicContact CB-CB 4.46Å; R403-Q417 PolarHBondContact O-N 3.42Å; R403-F455 WeakPolarHBondContact CD-O 3.24Å; R403-F455 PolarHBondContact NE-O 3.3Å; R403-F455 PolarHBondContact NH1-O 2.88Å; R403-F455 PolarHBondContact NH2-O 2.85Å; R403-L457 HydrophobicContact CB-CB 4.12Å; R403-L457 HydrophobicContact CG-CB 3.94Å; R403-D507 IonicContact CZ-OD1 2.72Å; R403-D507 IonicContact NH1-OD1 3.31Å; R403-D507 PolarHBondContact NH1-OD1 3.16Å; R403-D507 IonicContact NH1-OD2 3.33Å; R403-D507 IonicContact NH2-OD1 3.44Å; R403-D507 IonicContact NH2-OD2 3.58Å
404	C	91.4	Very high	86.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.4	171.5	68.1	0	0	0	0	110.4	A322 V401 A415 T416	A322-C404 HydrophobicContact CB-CB 4.18Å; A322-C404 VanDerWaalsContact CB-SG 3.58Å; V401-C404 HydrophobicContact CG1-CB 4.19Å; C404-A415 CarbonylContact C-O 3.11Å; C404-A415 WeakPolarHBondContact CA-O 3.41Å; C404-T416 HydrophobicContact CB-CG2 3.67Å
405	R	91.3	Very high	87	Confident	66 Å²	66	32.3 Å²	32.3	25%	0.249	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	132.1	-179.3	-65.3	-65.7	177.5	-129	17.1	111.4	I323 R403 A415 L457 W459	I323-R405 PolarHBondContact O-NH1 2.98Å; R403-R405 HydrophobicContact CG-CG 4.35Å; R405-A415 PolarHBondContact N-O 2.88Å; R405-A415 PolarHBondContact O-N 3.4Å; R405-L457 HydrophobicContact CB-CD2 4.47Å; R405-L457 HydrophobicContact CG-CD2 4.39Å; R405-W459 PolarHBondContact O-NE1 3.29Å; R405-W459 VanDerWaalsContact O-NE1 3.12Å
406	Y	89.3	Confident	87.6	Confident	30 Å²	30	32.3 Å²	32.3	12%	0.118	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.6	165.6	-61.2	-67.1	0	0	0	111	A324 M343 P408 S411 I414	A324-Y406 HydrophobicContact CB-CD2 3.76Å; A324-Y406 HydrophobicContact CB-CE2 3.58Å; M343-Y406 HydrophobicContact CE-CD1 3.51Å; M343-Y406 HydrophobicContact CE-CD2 4.07Å; M343-Y406 HydrophobicContact CE-CE1 3.03Å; M343-Y406 HydrophobicContact CE-CE2 3.68Å; M343-Y406 HydrophobicContact CE-CG 4.01Å; M343-Y406 HydrophobicContact CG-CE1 4.12Å; M343-Y406 WeakPolarHBondContact CG-OH 3.18Å; M343-Y406 HydrophobicContact SD-CD1 4.13Å; M343-Y406 HydrophobicContact SD-CE1 3.22Å; M343-Y406 WeakPolarHBondContact SD-CE1 3.39Å; M343-Y406 VanDerWaalsContact SD-CZ 3.51Å; M343-Y406 PolarHBondContact SD-OH 3.35Å; Y406-P408 WeakPolarHBondContact O-CD 3.45Å; Y406-S411 WeakPolarHBondContact CD1-O 3.28Å; Y406-I414 HydrophobicContact CD1-CG1 4.06Å; Y406-I414 HydrophobicContact CE1-CG1 4.12Å
407	M	90.8	Very high	88.2	Confident	17 Å²	17	28.7 Å²	28.7	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.6	166.3	-173.3	166.9	67.3	0	0	109.1	Q409 C410 A413 W459 T464	M407-Q409 VanDerWaalsContact CG-OE1 3.27Å; M407-Q409 PolarHBondContact O-N 3.14Å; M407-Q409 VanDerWaalsContact O-N 3.1Å; M407-C410 HydrophobicContact CE-CB 3.57Å; M407-C410 CarbonylContact O-C 3.56Å; M407-C410 PolarHBondContact O-N 3.42Å; M407-A413 HydrophobicContact CB-CB 4.03Å; M407-A413 HydrophobicContact CE-CB 3.98Å; M407-A413 PolarHBondContact N-O 2.87Å; M407-W459 HydrophobicContact CB-CD2 4.08Å; M407-W459 HydrophobicContact CB-CE3 4.47Å; M407-W459 HydrophobicContact CB-CG 4.47Å; M407-W459 HydrophobicContact CB-CZ2 4.13Å; M407-W459 HydrophobicContact CG-CD2 4.07Å; M407-W459 HydrophobicContact CG-CE3 4.04Å; M407-W459 HydrophobicContact CG-CZ3 4.33Å; M407-W459 HydrophobicContact SD-CE3 4.14Å; M407-W459 HydrophobicContact SD-CH2 4.15Å; M407-W459 HydrophobicContact SD-CZ3 3.88Å; M407-T464 HydrophobicContact CE-CG2 4.18Å; M407-T464 HydrophobicContact SD-CG2 4.2Å
408	P	87.9	Confident	88.6	Confident	80 Å²	80	28 Å²	28	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.2	-174.2	-27.8	35.6	0	0	0	114.6	Y406 W459 A461	Y406-P408 WeakPolarHBondContact O-CD 3.45Å; P408-W459 VanDerWaalsContact CD-CB 3.5Å; P408-W459 HydrophobicContact CG-CB 4.19Å; P408-A461 HydrophobicContact CG-CB 4.39Å
409	Q	87.3	Confident	88.8	Confident	69 Å²	69	25.4 Å²	25.4	32%	0.322	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15	-179.5	-54.3	87.2	-7.9	0	0	113.5	M407 N460 A461 T464	M407-Q409 VanDerWaalsContact CG-OE1 3.27Å; M407-Q409 PolarHBondContact O-N 3.14Å; M407-Q409 VanDerWaalsContact O-N 3.1Å; Q409-N460 PolarHBondContact NE2-O 2.89Å; Q409-A461 PolarHBondContact NE2-O 3.32Å; Q409-T464 HydrophobicContact CB-CG2 4.22Å
410	C	84.6	Confident	88.9	Confident	52 Å²	52	28.3 Å²	28.3	35%	0.351	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	101.4	178.1	179.3	0	0	0	0	109.2	M407 D412 A413	M407-C410 HydrophobicContact CE-CB 3.57Å; M407-C410 CarbonylContact O-C 3.56Å; M407-C410 PolarHBondContact O-N 3.42Å; C410-D412 PolarHBondContact O-N 3.49Å; C410-D412 VanDerWaalsContact O-N 3.12Å; C410-A413 PolarHBondContact O-N 2.96Å; C410-A413 VanDerWaalsContact O-N 3.12Å
411	S	80.6	Confident	88.8	Confident	50 Å²	50	26.9 Å²	26.9	35%	0.35	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-8.4	-176	53.9	0	0	0	0	114.3	Y406 K428	Y406-S411 WeakPolarHBondContact CD1-O 3.28Å; S411-K428 WeakPolarHBondContact O-CE 3.42Å; S411-K428 PolarHBondContact O-NZ 3Å
412	D	79.1	Confident	88.9	Confident	49 Å²	49	29 Å²	29	26%	0.262	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-21.8	174.1	-62.5	-30.4	0	0	0	112.9	C410 K428 N429	C410-D412 PolarHBondContact O-N 3.49Å; C410-D412 VanDerWaalsContact O-N 3.12Å; D412-K428 HydrophobicContact CB-CB 4.13Å; D412-K428 WeakPolarHBondContact O-CG 3.32Å; D412-K428 PolarHBondContact O-N 3.31Å; D412-N429 PolarHBondContact OD2-ND2 3.01Å
413	A	86.5	Confident	88.9	Confident	14 Å²	14	28.7 Å²	28.7	12%	0.116	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.4	176.1	0	0	0	0	0	110.4	M407 C410 F426	M407-A413 HydrophobicContact CB-CB 4.03Å; M407-A413 HydrophobicContact CE-CB 3.98Å; M407-A413 PolarHBondContact N-O 2.87Å; C410-A413 PolarHBondContact O-N 2.96Å; C410-A413 VanDerWaalsContact O-N 3.12Å; A413-F426 WeakPolarHBondContact CA-O 3.48Å
414	I	88.5	Confident	88.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.9	-178.1	-53.7	156.5	0	0	0	108.7	M343 Y406 T416 L425 F426 K428	M343-I414 HydrophobicContact CE-CB 4.32Å; M343-I414 HydrophobicContact CE-CD1 4.25Å; M343-I414 HydrophobicContact CE-CG1 3.87Å; M343-I414 HydrophobicContact CE-CG2 3.55Å; M343-I414 HydrophobicContact SD-CB 4.36Å; M343-I414 HydrophobicContact SD-CD1 3.24Å; M343-I414 WeakPolarHBondContact SD-CD1 3.35Å; M343-I414 HydrophobicContact SD-CG1 3.52Å; M343-I414 VanDerWaalsContact SD-CG1 3.52Å; M343-I414 HydrophobicContact SD-CG2 3.91Å; Y406-I414 HydrophobicContact CD1-CG1 4.06Å; Y406-I414 HydrophobicContact CE1-CG1 4.12Å; I414-T416 HydrophobicContact CG2-CG2 4.07Å; I414-L425 CarbonylContact O-C 3.52Å; I414-L425 WeakPolarHBondContact O-CA 3.4Å; I414-F426 HydrophobicContact CB-CB 4.37Å; I414-F426 PolarHBondContact N-O 2.63Å; I414-F426 PolarHBondContact O-N 3.33Å; I414-K428 HydrophobicContact CD1-CD 4.23Å; I414-K428 HydrophobicContact CD1-CG 3.62Å; I414-K428 HydrophobicContact CG1-CG 4.33Å
415	A	92.5	Very high	88.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.6	166.8	0	0	0	0	0	110.5	C404 R405 I423 Y424 L425 L457 W459 L467	C404-A415 CarbonylContact C-O 3.11Å; C404-A415 WeakPolarHBondContact CA-O 3.41Å; R405-A415 PolarHBondContact N-O 2.88Å; R405-A415 PolarHBondContact O-N 3.4Å; A415-I423 HydrophobicContact CB-CG2 4.43Å; A415-Y424 CarbonylContact C-O 3.45Å; A415-Y424 WeakPolarHBondContact CA-O 3.35Å; A415-L425 HydrophobicContact CB-CD1 4.29Å; A415-L457 HydrophobicContact CB-CD2 4.09Å; A415-L457 WeakPolarHBondContact O-CD2 3.38Å; A415-W459 HydrophobicContact CB-CH2 4.47Å; A415-W459 HydrophobicContact CB-CZ2 3.47Å; A415-W459 VanDerWaalsContact CB-CZ2 3.47Å; A415-L467 HydrophobicContact CB-CD1 4.39Å; A415-L467 HydrophobicContact CB-CD2 3.79Å
416	T	92.5	Very high	88.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141	171.9	62.4	0	0	0	0	111.7	I356 H397 V401 R403 C404 I414 I423 Y424 F426	I356-T416 HydrophobicContact CD1-CG2 3.36Å; I356-T416 HydrophobicContact CG1-CG2 4.11Å; H397-T416 PolarHBondContact CD2-OG1 3.22Å; H397-T416 PolarHBondContact NE2-OG1 3.07Å; V401-T416 HydrophobicContact CG1-CG2 4.14Å; R403-T416 CarbonylContact O-C 3.12Å; R403-T416 VanDerWaalsContact O-CA 3.24Å; R403-T416 WeakPolarHBondContact O-CA 3.05Å; C404-T416 HydrophobicContact CB-CG2 3.67Å; I414-T416 HydrophobicContact CG2-CG2 4.07Å; T416-I423 CarbonylContact O-C 3.52Å; T416-I423 WeakPolarHBondContact O-CA 3.47Å; T416-I423 WeakPolarHBondContact O-CG2 3.36Å; T416-Y424 PolarHBondContact N-O 3.44Å; T416-Y424 PolarHBondContact O-N 3.41Å; T416-F426 HydrophobicContact CG2-CD2 4.44Å; T416-F426 HydrophobicContact CG2-CE2 4.33Å; T416-F426 WeakPolarHBondContact OG1-CE2 3.17Å
417	Q	93.1	Very high	88.4	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.6	174.4	-172.5	170.5	14.7	0	0	109.1	N402 R403 I423 G454 F455 G456 L457 S469 S470	N402-Q417 PolarHBondContact N-O 3Å; R403-Q417 HydrophobicContact CB-CB 4.46Å; R403-Q417 PolarHBondContact O-N 3.42Å; Q417-I423 HydrophobicContact CG-CG1 4.33Å; Q417-G454 VanDerWaalsContact NE2-CA 3.25Å; Q417-G454 PolarHBondContact NE2-O 3.22Å; Q417-G454 PolarHBondContact OE1-O 2.9Å; Q417-F455 VanDerWaalsContact OE1-C 3.31Å; Q417-G456 PolarHBondContact OE1-O 3.45Å; Q417-L457 HydrophobicContact CB-CD2 4.32Å; Q417-S469 PolarHBondContact NE2-OG 3.48Å; Q417-S469 PolarHBondContact OE1-OG 2.84Å; Q417-S470 PolarHBondContact NE2-O 2.74Å
418	S	91.4	Very high	87.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	151	179.5	176.3	0	0	0	0	112.6	N398 D400 T420 G421 I422	N398-S418 WeakPolarHBondContact O-CB 3.47Å; N398-S418 PolarHBondContact O-OG 3.03Å; D400-S418 CarbonylContact O-C 3.6Å; D400-S418 VanDerWaalsContact O-CA 3.28Å; D400-S418 WeakPolarHBondContact O-CA 3.07Å; S418-T420 VanDerWaalsContact CB-OG1 3.29Å; S418-T420 WeakPolarHBondContact CB-OG1 3.35Å; S418-T420 PolarHBondContact O-N 2.91Å; S418-T420 PolarHBondContact OG-N 2.9Å; S418-T420 PolarHBondContact OG-OG1 3.29Å; S418-G421 PolarHBondContact O-N 3.25Å; S418-I422 WeakPolarHBondContact CB-O 3.42Å; S418-I422 PolarHBondContact N-O 3.34Å
419	S	90	Very high	87	Confident	45 Å²	45	29.8 Å²	29.8	32%	0.315	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.8	165.5	64.7	0	0	0	0	113.9	D400 G421 A453	D400-S419 PolarHBondContact N-OG 2.81Å; D400-S419 PolarHBondContact O-N 3.11Å; D400-S419 WeakPolarHBondContact OD2-CB 3.25Å; D400-S419 PolarHBondContact OD2-OG 2.72Å; S419-G421 PolarHBondContact O-N 3.32Å; S419-A453 WeakPolarHBondContact O-CB 3.35Å
420	T	87.4	Confident	86.1	Confident	70 Å²	70	34 Å²	34	43%	0.429	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.7	170	61.3	0	0	0	0	113.7	S418 I422	S418-T420 VanDerWaalsContact CB-OG1 3.29Å; S418-T420 WeakPolarHBondContact CB-OG1 3.35Å; S418-T420 PolarHBondContact O-N 2.91Å; S418-T420 PolarHBondContact OG-N 2.9Å; S418-T420 PolarHBondContact OG-OG1 3.29Å; T420-I422 VanDerWaalsContact C-N 3.31Å
421	G	86.8	Confident	85.3	Confident	3 Å²	3	32.8 Å²	32.8	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	87.8	-9.8	-173.8	0	0	0	0	0	114.6	S418 S419 Q450	S418-G421 PolarHBondContact O-N 3.25Å; S419-G421 PolarHBondContact O-N 3.32Å; G421-Q450 WeakPolarHBondContact O-CB 3.38Å
422	I	91.8	Very high	84.1	Confident	45 Å²	45	33.3 Å²	33.3	23%	0.231	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-80.9	140.5	172.7	-59.5	174.2	0	0	0	109.5	S418 T420 Y424 R446	S418-I422 WeakPolarHBondContact CB-O 3.42Å; S418-I422 PolarHBondContact N-O 3.34Å; T420-I422 VanDerWaalsContact C-N 3.31Å; I422-Y424 HydrophobicContact CB-CE1 4.45Å; I422-Y424 HydrophobicContact CB-CE2 4.22Å; I422-Y424 HydrophobicContact CG2-CD1 4.07Å; I422-Y424 HydrophobicContact CG2-CE1 3.68Å; I422-Y424 HydrophobicContact CG2-CE2 4.16Å; I422-Y424 HydrophobicContact CG2-CG 4.48Å; I422-R446 HydrophobicContact CG2-CB 4.33Å
423	I	93.3	Very high	82.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.7	168.5	-61.8	163.7	0	0	0	108.1	A415 T416 Q417 L447 L457 L467 W479	A415-I423 HydrophobicContact CB-CG2 4.43Å; T416-I423 CarbonylContact O-C 3.52Å; T416-I423 WeakPolarHBondContact O-CA 3.47Å; T416-I423 WeakPolarHBondContact O-CG2 3.36Å; Q417-I423 HydrophobicContact CG-CG1 4.33Å; I423-L447 HydrophobicContact CB-CB 3.89Å; I423-L447 HydrophobicContact CB-CD1 4.41Å; I423-L447 HydrophobicContact CG2-CB 4.28Å; I423-L447 HydrophobicContact CG2-CD1 3.9Å; I423-L447 HydrophobicContact CG2-CG 4.5Å; I423-L447 PolarHBondContact N-O 3.05Å; I423-L447 VanDerWaalsContact N-O 3.12Å; I423-L447 WeakPolarHBondContact O-CB 2.88Å; I423-L447 PolarHBondContact O-N 3.4Å; I423-L457 HydrophobicContact CD1-CD1 4.1Å; I423-L457 HydrophobicContact CG1-CD1 4.5Å; I423-L457 HydrophobicContact CG2-CD1 4.32Å; I423-L467 HydrophobicContact CG2-CD2 3.95Å; I423-W479 HydrophobicContact CD1-CE3 4.04Å; I423-W479 HydrophobicContact CD1-CH2 3.3Å; I423-W479 HydrophobicContact CD1-CZ2 4.02Å; I423-W479 HydrophobicContact CD1-CZ3 3.34Å; I423-W479 HydrophobicContact CG1-CH2 4.49Å
424	Y	91.8	Very high	81.1	Confident	6 Å²	6	42.6 Å²	42.6	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.5	178.8	-62.2	-74	0	0	0	109.9	H397 N398 A415 T416 I422 F426 P443 R446	H397-Y424 AromaticContact CE1-CD2 3.9Å; H397-Y424 AromaticContact NE2-CD2 3.42Å; H397-Y424 WeakPolarHBondContact NE2-CD2 3.32Å; N398-Y424 HydrophobicContact CB-CE2 4.32Å; N398-Y424 PolarHBondContact ND2-OH 2.96Å; A415-Y424 CarbonylContact C-O 3.45Å; A415-Y424 WeakPolarHBondContact CA-O 3.35Å; T416-Y424 PolarHBondContact N-O 3.44Å; T416-Y424 PolarHBondContact O-N 3.41Å; I422-Y424 HydrophobicContact CB-CE1 4.45Å; I422-Y424 HydrophobicContact CB-CE2 4.22Å; I422-Y424 HydrophobicContact CG2-CD1 4.07Å; I422-Y424 HydrophobicContact CG2-CE1 3.68Å; I422-Y424 HydrophobicContact CG2-CE2 4.16Å; I422-Y424 HydrophobicContact CG2-CG 4.48Å; Y424-F426 VanDerWaalsContact CB-CE2 3.5Å; Y424-F426 HydrophobicContact CG-CE2 4.48Å; Y424-F426 HydrophobicContact CG-CZ 4.35Å; Y424-P443 HydrophobicContact CD1-CB 3.73Å; Y424-P443 HydrophobicContact CD1-CG 3.59Å; Y424-P443 HydrophobicContact CE1-CG 4.06Å; Y424-P443 HydrophobicContact CG-CB 4.35Å; Y424-R446 HydrophobicContact CD1-CG 4.02Å; Y424-R446 HydrophobicContact CE1-CG 3.99Å
425	L	90.6	Very high	79.4	Confident	22 Å²	22	45 Å²	45	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124	169.8	-170	73.5	0	0	0	108.6	I414 A415 S444 L445 W459 V481	I414-L425 CarbonylContact O-C 3.52Å; I414-L425 WeakPolarHBondContact O-CA 3.4Å; A415-L425 HydrophobicContact CB-CD1 4.29Å; L425-S444 WeakPolarHBondContact O-CB 3.38Å; L425-S444 PolarHBondContact O-N 3.47Å; L425-L445 HydrophobicContact CB-CB 3.95Å; L425-L445 HydrophobicContact CD2-CB 4.12Å; L425-L445 HydrophobicContact CD2-CD2 4.24Å; L425-L445 PolarHBondContact N-O 3.39Å; L425-L445 PolarHBondContact O-N 3.08Å; L425-W459 HydrophobicContact CD1-CH2 3.85Å; L425-W459 HydrophobicContact CD1-CZ2 3.72Å; L425-V481 HydrophobicContact CD2-CB 4.28Å; L425-V481 HydrophobicContact CD2-CG1 4.28Å
426	F	87.2	Confident	77.1	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.5	173.7	-58.3	-83.7	0	0	0	109.4	I356 I395 H397 A413 I414 T416 Y424 P443	I356-F426 HydrophobicContact CD1-CD2 3.82Å; I356-F426 HydrophobicContact CD1-CE2 3.48Å; I356-F426 VanDerWaalsContact CD1-CE2 3.48Å; I356-F426 HydrophobicContact CD1-CZ 4.16Å; I395-F426 HydrophobicContact CD1-CB 4.15Å; I395-F426 HydrophobicContact CD1-CD1 4.17Å; I395-F426 HydrophobicContact CD1-CG 4.04Å; I395-F426 HydrophobicContact CG2-CD1 3.69Å; I395-F426 HydrophobicContact CG2-CE1 3.42Å; I395-F426 VanDerWaalsContact CG2-CE1 3.42Å; I395-F426 HydrophobicContact CG2-CG 4.42Å; I395-F426 HydrophobicContact CG2-CZ 3.94Å; H397-F426 AromaticContact CD2-CE2 3.94Å; A413-F426 WeakPolarHBondContact CA-O 3.48Å; I414-F426 HydrophobicContact CB-CB 4.37Å; I414-F426 PolarHBondContact N-O 2.63Å; I414-F426 PolarHBondContact O-N 3.33Å; T416-F426 HydrophobicContact CG2-CD2 4.44Å; T416-F426 HydrophobicContact CG2-CE2 4.33Å; T416-F426 WeakPolarHBondContact OG1-CE2 3.17Å; Y424-F426 VanDerWaalsContact CB-CE2 3.5Å; Y424-F426 HydrophobicContact CG-CE2 4.48Å; Y424-F426 HydrophobicContact CG-CZ 4.35Å; F426-P443 HydrophobicContact CD1-CB 4.24Å; F426-P443 HydrophobicContact CE1-CB 3.78Å; F426-P443 HydrophobicContact CZ-CB 4.14Å
427	D	82.5	Confident	75	Confident	40 Å²	40	55 Å²	55	21%	0.214	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.4	171.7	179.3	-5.6	0	0	0	107.3	N429 R430 S444	D427-N429 PolarHBondContact O-N 2.79Å; D427-N429 VanDerWaalsContact O-N 3.15Å; D427-N429 PolarHBondContact OD1-N 2.72Å; D427-N429 VanDerWaalsContact OD1-N 3.14Å; D427-R430 HydrophobicContact CB-CB 4.32Å; D427-R430 HydrophobicContact CB-CG 4.11Å; D427-R430 PolarHBondContact O-N 3Å; D427-R430 WeakPolarHBondContact OD2-CD 3.32Å; D427-R430 WeakPolarHBondContact OD2-CG 3.3Å; D427-R430 IonicContact OD2-CZ 4Å; D427-R430 IonicContact OD2-NE 2.98Å; D427-R430 PolarHBondContact OD2-NE 2.93Å; D427-S444 VanDerWaalsContact CB-OG 3.26Å; D427-S444 WeakPolarHBondContact CB-OG 3.38Å; D427-S444 PolarHBondContact N-OG 3.16Å; D427-S444 VanDerWaalsContact N-OG 3.09Å
428	K	76.2	Confident	72.8	Confident	35 Å²	35	63.7 Å²	63.7	15%	0.152	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-54.7	-34.8	-176.9	-72.8	-174.7	-169.3	174.6	0	112.5	F393 S411 D412 I414 R430 L431	F393-K428 HydrophobicContact CZ-CG 4.44Å; S411-K428 WeakPolarHBondContact O-CE 3.42Å; S411-K428 PolarHBondContact O-NZ 3Å; D412-K428 HydrophobicContact CB-CB 4.13Å; D412-K428 WeakPolarHBondContact O-CG 3.32Å; D412-K428 PolarHBondContact O-N 3.31Å; I414-K428 HydrophobicContact CD1-CD 4.23Å; I414-K428 HydrophobicContact CD1-CG 3.62Å; I414-K428 HydrophobicContact CG1-CG 4.33Å; K428-R430 PolarHBondContact O-N 2.83Å; K428-L431 PolarHBondContact O-N 3.36Å
429	N	73.1	Confident	70.9	Confident	121 Å²	121	68.4 Å²	68.4	65%	0.647	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-73.4	-12.1	-176.4	-63	-40.4	0	0	0	113.1	D412 D427	D412-N429 PolarHBondContact OD2-ND2 3.01Å; D427-N429 PolarHBondContact O-N 2.79Å; D427-N429 VanDerWaalsContact O-N 3.15Å; D427-N429 PolarHBondContact OD1-N 2.72Å; D427-N429 VanDerWaalsContact OD1-N 3.14Å
430	R	69.8	Low	69.1	Low	157 Å²	157	70.4 Å²	70.4	59%	0.592	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-104.7	-4.7	178.1	-61.8	-177.6	-171.9	-142.9	-10.8	113.5	D427 K428	D427-R430 HydrophobicContact CB-CB 4.32Å; D427-R430 HydrophobicContact CB-CG 4.11Å; D427-R430 PolarHBondContact O-N 3Å; D427-R430 WeakPolarHBondContact OD2-CD 3.32Å; D427-R430 WeakPolarHBondContact OD2-CG 3.3Å; D427-R430 IonicContact OD2-CZ 4Å; D427-R430 IonicContact OD2-NE 2.98Å; D427-R430 PolarHBondContact OD2-NE 2.93Å; K428-R430 PolarHBondContact O-N 2.83Å
431	L	66.9	Low	67.6	Low	27 Å²	27	67.7 Å²	67.7	14%	0.141	37%	0.366	C	S	.	.	S	Bend	trans	-75.5	129.8	178.6	-65.7	169.3	0	0	0	108.6	F393 I395 K428 S433 P441	F393-L431 HydrophobicContact CD2-CD1 4.1Å; F393-L431 HydrophobicContact CE2-CD1 3.56Å; F393-L431 HydrophobicContact CZ-CD1 4.05Å; I395-L431 HydrophobicContact CD1-CD1 3.38Å; I395-L431 HydrophobicContact CD1-CD2 4.09Å; I395-L431 HydrophobicContact CD1-CG 4.4Å; I395-L431 HydrophobicContact CG1-CD1 3.81Å; I395-L431 HydrophobicContact CG1-CD2 4.18Å; I395-L431 HydrophobicContact CG2-CD2 4.48Å; K428-L431 PolarHBondContact O-N 3.36Å; L431-S433 PolarHBondContact O-N 3.3Å; L431-P441 HydrophobicContact CD2-CB 4.17Å
432	P	56	Low	66.8	Low	62 Å²	62	72.9 Å²	72.9	40%	0.403	40%	0.397	S	S	.	.			trans	-60.5	134.1	173.9	23.5	-29.9	0	0	0	109.1	L434 I435	P432-L434 PolarHBondContact O-N 3.17Å; P432-I435 HydrophobicContact CG-CG1 3.92Å
433	S	53.4	Low	66.2	Low	112 Å²	112	71.9 Å²	71.9	78%	0.783	39%	0.393	S	S	*	.	S	Bend	trans	-61.4	-23.3	179.3	48.5	0	0	0	0	112.9	L431	L431-S433 PolarHBondContact O-N 3.3Å
434	L	49.1	Very low	65.6	Low	145 Å²	145	73.9 Å²	73.9	76%	0.759	41%	0.407	S	S	*	.	S	Bend	trans	-130.9	106	174.5	-80.1	153.5	0	0	0	108.3	P432 T436	P432-L434 PolarHBondContact O-N 3.17Å; L434-T436 PolarHBondContact O-N 3.09Å
435	I	53.1	Low	65.3	Low	50 Å²	50	74.3 Å²	74.3	26%	0.256	41%	0.41	S	S	.	.			trans	-78.1	111.1	167.5	-69.7	159.7	0	0	0	106.5	T394 P432 D439 P441	T394-I435 WeakPolarHBondContact O-CD1 3.36Å; P432-I435 HydrophobicContact CG-CG1 3.92Å; I435-D439 VanDerWaalsContact CG2-O 3.24Å; I435-D439 WeakPolarHBondContact CG2-O 3.27Å; I435-P441 HydrophobicContact CD1-CB 4.15Å; I435-P441 HydrophobicContact CD1-CG 3.8Å
436	T	43.9	Very low	65.2	Low	76 Å²	76	78.8 Å²	78.8	47%	0.466	43%	0.425	S	S	.	.			trans	-66.7	151	165.5	69.7	0	0	0	0	108.2	L434 F438 D439	L434-T436 PolarHBondContact O-N 3.09Å; T436-F438 PolarHBondContact O-N 2.78Å; T436-D439 PolarHBondContact O-N 3.43Å; T436-D439 VanDerWaalsContact O-N 3.09Å; T436-D439 PolarHBondContact OG1-OD2 3.11Å
437	V	48.3	Very low	65.5	Low	135 Å²	135	78.6 Å²	78.6	82%	0.818	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-15.9	-175.2	-179.4	0	0	0	0	113.3
438	F	47.2	Very low	65.9	Low	182 Å²	182	79 Å²	79	80%	0.798	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-13.4	-174.6	-58.9	-71.4	0	0	0	114.8	T436	T436-F438 PolarHBondContact O-N 2.78Å
439	D	51.6	Low	66.4	Low	100 Å²	100	79 Å²	79	54%	0.535	44%	0.436	S	S	.	.			trans	-97.7	107.2	179.9	-72.2	-38	0	0	0	110.7	I435 T436 P441	I435-D439 VanDerWaalsContact CG2-O 3.24Å; I435-D439 WeakPolarHBondContact CG2-O 3.27Å; T436-D439 PolarHBondContact O-N 3.43Å; T436-D439 VanDerWaalsContact O-N 3.09Å; T436-D439 PolarHBondContact OG1-OD2 3.11Å; D439-P441 WeakPolarHBondContact O-CD 3.07Å
440	S	52.1	Low	67.2	Low	87 Å²	87	74 Å²	74	61%	0.608	41%	0.409	S	S	*	.			trans	-71.3	111.7	167.5	-65	0	0	0	0	108.4	T442	S440-T442 PolarHBondContact O-N 3.1Å
441	P	55.7	Low	68.1	Low	13 Å²	13	72.6 Å²	72.6	8%	0.084	41%	0.409	C	S	.	.			trans	-56.1	113.9	178.7	21.2	-33.2	0	0	0	109.4	I395 L396 L431 I435 D439	I395-P441 HydrophobicContact CB-CG 4.35Å; I395-P441 HydrophobicContact CG2-CB 4.05Å; I395-P441 HydrophobicContact CG2-CG 3.65Å; L396-P441 HydrophobicContact CB-CG 4.3Å; L431-P441 HydrophobicContact CD2-CB 4.17Å; I435-P441 HydrophobicContact CD1-CB 4.15Å; I435-P441 HydrophobicContact CD1-CG 3.8Å; D439-P441 WeakPolarHBondContact O-CD 3.07Å
442	T	69.1	Low	69.3	Low	112 Å²	112	76.8 Å²	76.8	69%	0.687	43%	0.426	S	S	*	.			trans	-72.5	128.5	-178.9	52.1	0	0	0	0	108.7	S440 S444	S440-T442 PolarHBondContact O-N 3.1Å; T442-S444 PolarHBondContact O-N 3.31Å
443	P	79.7	Confident	71	Confident	23 Å²	23	74.4 Å²	74.4	15%	0.149	41%	0.412	C	S	.	.			trans	-57.5	139.9	173.2	27	-35.9	0	0	0	109.6	Y424 F426 L445 R446	Y424-P443 HydrophobicContact CD1-CB 3.73Å; Y424-P443 HydrophobicContact CD1-CG 3.59Å; Y424-P443 HydrophobicContact CE1-CG 4.06Å; Y424-P443 HydrophobicContact CG-CB 4.35Å; F426-P443 HydrophobicContact CD1-CB 4.24Å; F426-P443 HydrophobicContact CE1-CB 3.78Å; F426-P443 HydrophobicContact CZ-CB 4.14Å; P443-L445 PolarHBondContact O-N 3.44Å; P443-R446 HydrophobicContact CG-CG 3.77Å
444	S	80.8	Confident	72.9	Confident	43 Å²	43	69.1 Å²	69.1	30%	0.301	38%	0.375	S	S	.	.	S	Bend	trans	-61.3	-32.4	177.6	-56.9	0	0	0	0	112	L425 D427 T442	L425-S444 WeakPolarHBondContact O-CB 3.38Å; L425-S444 PolarHBondContact O-N 3.47Å; D427-S444 VanDerWaalsContact CB-OG 3.26Å; D427-S444 WeakPolarHBondContact CB-OG 3.38Å; D427-S444 PolarHBondContact N-OG 3.16Å; D427-S444 VanDerWaalsContact N-OG 3.09Å; T442-S444 PolarHBondContact O-N 3.31Å
445	L	85.5	Confident	75	Confident	14 Å²	14	65.5 Å²	65.5	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	138.1	175.7	-170.7	70.6	0	0	0	110.4	L425 P443 L447 V481 V484 G490 M492	L425-L445 HydrophobicContact CB-CB 3.95Å; L425-L445 HydrophobicContact CD2-CB 4.12Å; L425-L445 HydrophobicContact CD2-CD2 4.24Å; L425-L445 PolarHBondContact N-O 3.39Å; L425-L445 PolarHBondContact O-N 3.08Å; P443-L445 PolarHBondContact O-N 3.44Å; L445-L447 HydrophobicContact CD2-CD2 3.48Å; L445-L447 VanDerWaalsContact CD2-CD2 3.48Å; L445-L447 HydrophobicContact CD2-CG 4.45Å; L445-L447 HydrophobicContact CG-CD2 3.89Å; L445-V481 HydrophobicContact CD2-CB 4.37Å; L445-V481 HydrophobicContact CD2-CG1 4.21Å; L445-V484 HydrophobicContact CD2-CG2 4.03Å; L445-G490 WeakPolarHBondContact CA-O 3.3Å; L445-M492 HydrophobicContact CD1-CB 4.41Å; L445-M492 HydrophobicContact CD2-CB 4.49Å
446	R	89.3	Confident	77	Confident	117 Å²	117	63.1 Å²	63.1	44%	0.442	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.5	169.8	-60.8	-176.5	-177.1	-178	0.7	109.9	I422 Y424 P443 G490 A491 M492	I422-R446 HydrophobicContact CG2-CB 4.33Å; Y424-R446 HydrophobicContact CD1-CG 4.02Å; Y424-R446 HydrophobicContact CE1-CG 3.99Å; P443-R446 HydrophobicContact CG-CG 3.77Å; R446-G490 PolarHBondContact N-O 3.13Å; R446-A491 HydrophobicContact CB-CB 4.27Å; R446-A491 CarbonylContact O-C 3.56Å; R446-A491 VanDerWaalsContact O-CA 3.22Å; R446-A491 WeakPolarHBondContact O-CA 3.2Å; R446-M492 PolarHBondContact O-N 3.21Å
447	L	91.9	Very high	79.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	102.9	179.6	-60.8	-175.9	0	0	0	108.9	I423 L445 L467 W479 V481 M492	I423-L447 HydrophobicContact CB-CB 3.89Å; I423-L447 HydrophobicContact CB-CD1 4.41Å; I423-L447 HydrophobicContact CG2-CB 4.28Å; I423-L447 HydrophobicContact CG2-CD1 3.9Å; I423-L447 HydrophobicContact CG2-CG 4.5Å; I423-L447 PolarHBondContact N-O 3.05Å; I423-L447 VanDerWaalsContact N-O 3.12Å; I423-L447 WeakPolarHBondContact O-CB 2.88Å; I423-L447 PolarHBondContact O-N 3.4Å; L445-L447 HydrophobicContact CD2-CD2 3.48Å; L445-L447 VanDerWaalsContact CD2-CD2 3.48Å; L445-L447 HydrophobicContact CD2-CG 4.45Å; L445-L447 HydrophobicContact CG-CD2 3.89Å; L447-L467 HydrophobicContact CD1-CD2 3.71Å; L447-W479 HydrophobicContact CB-CD2 4.25Å; L447-W479 HydrophobicContact CB-CG 4.18Å; L447-W479 HydrophobicContact CD1-CB 4.13Å; L447-W479 HydrophobicContact CD1-CD2 4.36Å; L447-W479 HydrophobicContact CD1-CG 4.03Å; L447-W479 HydrophobicContact CD2-CB 4.33Å; L447-W479 HydrophobicContact CD2-CG 4.12Å; L447-W479 HydrophobicContact CG-CG 4.34Å; L447-V481 HydrophobicContact CD1-CG1 4Å; L447-V481 HydrophobicContact CD2-CG1 4.17Å; L447-M492 CarbonylContact C-O 3.5Å; L447-M492 WeakPolarHBondContact CA-O 3.46Å; L447-M492 HydrophobicContact CD2-CB 3.95Å; L447-M492 HydrophobicContact CD2-CG 4.39Å; L447-M492 HydrophobicContact CD2-SD 4.31Å
448	N	90.9	Very high	81.8	Confident	47 Å²	47	54.2 Å²	54.2	25%	0.251	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	169.7	-176.2	-64.4	-20.4	0	0	0	111.3	W479 M492 N493 S494	N448-W479 PolarHBondContact O-NE1 2.84Å; N448-M492 PolarHBondContact N-O 3.49Å; N448-N493 WeakPolarHBondContact CB-OD1 3.08Å; N448-N493 CarbonylContact O-C 3.51Å; N448-N493 WeakPolarHBondContact O-CA 3.45Å; N448-S494 PolarHBondContact O-N 3.49Å
449	G	87	Confident	84.1	Confident	35 Å²	35	46.2 Å²	46.2	36%	0.361	25%	0.252	S	S	.	.			trans	115.9	-15.9	173.5	0	0	0	0	0	114.4	Y477	G449-Y477 WeakPolarHBondContact O-CE1 2.95Å
450	Q	90.9	Very high	86.2	Confident	17 Å²	17	41.4 Å²	41.4	8%	0.079	23%	0.226	C	C	.	.			trans	-81	124	174.6	169.2	161.8	-17.3	0	0	110.7	G421 K452 S469 S470 Y477 W479	G421-Q450 WeakPolarHBondContact O-CB 3.38Å; Q450-K452 WeakPolarHBondContact CG-O 3.04Å; Q450-K452 PolarHBondContact NE2-O 3.5Å; Q450-S469 PolarHBondContact OE1-OG 3.13Å; Q450-S470 PolarHBondContact NE2-O 2.91Å; Q450-S470 VanDerWaalsContact NE2-O 3.1Å; Q450-Y477 HydrophobicContact CB-CD2 3.9Å; Q450-Y477 HydrophobicContact CB-CE2 4.03Å; Q450-Y477 HydrophobicContact CB-CG 4.26Å; Q450-Y477 HydrophobicContact CG-CD2 4.06Å; Q450-Y477 HydrophobicContact CG-CE2 4Å; Q450-W479 HydrophobicContact CB-CH2 4.31Å
451	E	88.1	Confident	88.2	Confident	127 Å²	127	39 Å²	39	59%	0.593	21%	0.211	S	C	*	.	S	Bend	trans	-78.6	-30.9	-172.8	-64.6	166.3	-171.8	0	0	114.1	N473 R497	E451-N473 PolarHBondContact OE2-ND2 3.35Å; E451-R497 IonicContact OE1-NH1 2.76Å; E451-R497 PolarHBondContact OE1-NH1 2.87Å
452	K	92.3	Very high	90	Very high	116 Å²	116	42.6 Å²	42.6	50%	0.504	23%	0.23	S	C	.	.	S	Bend	trans	-134.2	153.6	178.6	-67.3	-169.2	176.3	-173.9	0	110.3	Q450 S471 Q472 N473	Q450-K452 WeakPolarHBondContact CG-O 3.04Å; Q450-K452 PolarHBondContact NE2-O 3.5Å; K452-S471 PolarHBondContact O-OG 2.97Å; K452-Q472 HydrophobicContact CB-CB 4.14Å; K452-Q472 HydrophobicContact CD-CB 4.34Å; K452-N473 HydrophobicContact CB-CB 4.44Å; K452-N473 HydrophobicContact CD-CB 4.15Å; K452-N473 HydrophobicContact CG-CB 4.29Å
453	A	92.2	Very high	91.2	Very high	12 Å²	12	41.3 Å²	41.3	10%	0.099	21%	0.212	C	C	.	.			trans	-53.4	162.9	172.3	0	0	0	0	0	112.8	S419 Q472	S419-A453 WeakPolarHBondContact O-CB 3.35Å; A453-Q472 WeakPolarHBondContact O-CB 3.32Å; A453-Q472 WeakPolarHBondContact O-CG 3.28Å; A453-Q472 PolarHBondContact O-N 3.35Å
454	G	92.4	Very high	91.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.			trans	-157.8	-176.6	171.4	0	0	0	0	0	110.7	N402 Q417 S470	N402-G454 WeakPolarHBondContact CB-O 3.44Å; N402-G454 PolarHBondContact ND2-O 2.87Å; Q417-G454 VanDerWaalsContact NE2-CA 3.25Å; Q417-G454 PolarHBondContact NE2-O 3.22Å; Q417-G454 PolarHBondContact OE1-O 2.9Å; G454-S470 WeakPolarHBondContact CA-O 3.38Å
455	F	93.5	Very high	92.3	Very high	70 Å²	70	41.4 Å²	41.4	31%	0.307	21%	0.21	S	C	.	.	S	Bend	trans	-123.7	-20.5	-175.8	-63.5	-81.8	0	0	0	112.6	N402 R403 Q417	N402-F455 HydrophobicContact CB-CD1 3.73Å; N402-F455 HydrophobicContact CB-CE1 3.98Å; R403-F455 WeakPolarHBondContact CD-O 3.24Å; R403-F455 PolarHBondContact NE-O 3.3Å; R403-F455 PolarHBondContact NH1-O 2.88Å; R403-F455 PolarHBondContact NH2-O 2.85Å; Q417-F455 VanDerWaalsContact OE1-C 3.31Å
456	G	94.6	Very high	92.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.			trans	-81.2	127.2	177.9	0	0	0	0	0	112.1	Q417 S469 S470 D507	Q417-G456 PolarHBondContact OE1-O 3.45Å; G456-S469 CarbonylContact O-C 3.54Å; G456-S469 WeakPolarHBondContact O-CA 3.27Å; G456-S469 PolarHBondContact O-OG 3.09Å; G456-S470 WeakPolarHBondContact CA-OG 3.1Å; G456-S470 PolarHBondContact N-OG 2.91Å; G456-S470 PolarHBondContact O-N 3.25Å; G456-D507 WeakPolarHBondContact CA-OD1 3.27Å
457	L	95.8	Very high	93.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	122.9	177.5	-168.5	69.8	0	0	0	108.9	R403 R405 A415 Q417 I423 L467 L468	R403-L457 HydrophobicContact CB-CB 4.12Å; R403-L457 HydrophobicContact CG-CB 3.94Å; R405-L457 HydrophobicContact CB-CD2 4.47Å; R405-L457 HydrophobicContact CG-CD2 4.39Å; A415-L457 HydrophobicContact CB-CD2 4.09Å; A415-L457 WeakPolarHBondContact O-CD2 3.38Å; Q417-L457 HydrophobicContact CB-CD2 4.32Å; I423-L457 HydrophobicContact CD1-CD1 4.1Å; I423-L457 HydrophobicContact CG1-CD1 4.5Å; I423-L457 HydrophobicContact CG2-CD1 4.32Å; L457-L467 HydrophobicContact CD1-CD1 3.78Å; L457-L467 HydrophobicContact CD1-CD2 4.12Å; L457-L467 HydrophobicContact CD1-CG 4.1Å; L457-L467 HydrophobicContact CG-CD1 4.06Å; L457-L468 WeakPolarHBondContact CA-O 3.35Å
458	S	96.6	Very high	93.3	Very high	20 Å²	20	36.5 Å²	36.5	14%	0.14	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	122.4	-175.4	-170.6	0	0	0	0	112.2	L468 V508 W510	S458-L468 PolarHBondContact N-O 3.39Å; S458-L468 PolarHBondContact O-N 2.83Å; S458-V508 WeakPolarHBondContact CB-O 3.47Å; S458-W510 PolarHBondContact O-NE1 2.79Å; S458-W510 PolarHBondContact OG-N 3.14Å
459	W	96.3	Very high	93.6	Very high	14 Å²	14	34.3 Å²	34.3	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.6	168.5	-73	108.5	0	0	0	111	R405 M407 P408 A415 L425 A461 L467 V481 W510	R405-W459 PolarHBondContact O-NE1 3.29Å; R405-W459 VanDerWaalsContact O-NE1 3.12Å; M407-W459 HydrophobicContact CB-CD2 4.08Å; M407-W459 HydrophobicContact CB-CE3 4.47Å; M407-W459 HydrophobicContact CB-CG 4.47Å; M407-W459 HydrophobicContact CB-CZ2 4.13Å; M407-W459 HydrophobicContact CG-CD2 4.07Å; M407-W459 HydrophobicContact CG-CE3 4.04Å; M407-W459 HydrophobicContact CG-CZ3 4.33Å; M407-W459 HydrophobicContact SD-CE3 4.14Å; M407-W459 HydrophobicContact SD-CH2 4.15Å; M407-W459 HydrophobicContact SD-CZ3 3.88Å; P408-W459 VanDerWaalsContact CD-CB 3.5Å; P408-W459 HydrophobicContact CG-CB 4.19Å; A415-W459 HydrophobicContact CB-CH2 4.47Å; A415-W459 HydrophobicContact CB-CZ2 3.47Å; A415-W459 VanDerWaalsContact CB-CZ2 3.47Å; L425-W459 HydrophobicContact CD1-CH2 3.85Å; L425-W459 HydrophobicContact CD1-CZ2 3.72Å; W459-A461 PolarHBondContact O-N 3.24Å; W459-L467 HydrophobicContact CD2-CB 4.42Å; W459-L467 HydrophobicContact CD2-CD1 3.69Å; W459-L467 HydrophobicContact CE3-CB 3.85Å; W459-L467 HydrophobicContact CE3-CD1 4Å; W459-L467 HydrophobicContact CE3-CG 4.43Å; W459-L467 HydrophobicContact CG-CD1 3.99Å; W459-L467 HydrophobicContact CH2-CB 4.26Å; W459-L467 HydrophobicContact CH2-CD2 4.19Å; W459-L467 HydrophobicContact CZ2-CD1 4.34Å; W459-L467 HydrophobicContact CZ2-CD2 4.26Å; W459-L467 HydrophobicContact CZ3-CB 3.73Å; W459-L467 HydrophobicContact CZ3-CD1 4.42Å; W459-L467 HydrophobicContact CZ3-CD2 4.48Å; W459-L467 HydrophobicContact CZ3-CG 4.44Å; W459-V481 HydrophobicContact CH2-CG1 4.23Å; W459-V481 HydrophobicContact CH2-CG2 3.87Å; W459-V481 HydrophobicContact CZ3-CG2 3.91Å; W459-W510 VanDerWaalsContact C-CD1 3.41Å
460	N	96.4	Very high	94.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.			trans	-76.5	112.6	170.3	-167.4	-43.3	0	0	0	109.5	Q409 L462 R463 H466 W510 A515	Q409-N460 PolarHBondContact NE2-O 2.89Å; N460-L462 PolarHBondContact O-N 2.95Å; N460-L462 PolarHBondContact OD1-N 3.43Å; N460-R463 HydrophobicContact CB-CB 4.39Å; N460-R463 PolarHBondContact OD1-N 3.25Å; N460-H466 HydrophobicContact CB-CB 3.7Å; N460-H466 WeakPolarHBondContact CB-O 3.32Å; N460-H466 PolarHBondContact N-O 2.94Å; N460-W510 HydrophobicContact CB-CD2 4Å; N460-W510 HydrophobicContact CB-CG 4.07Å; N460-W510 HydrophobicContact CB-CZ2 4.45Å; N460-W510 WeakPolarHBondContact ND2-CZ3 3.19Å; N460-A515 PolarHBondContact ND2-O 3.24Å
461	A	93.2	Very high	94.3	Very high	36 Å²	36	31.8 Å²	31.8	30%	0.298	16%	0.159	S	C	.	.	S	Bend	trans	-66.6	-20.2	-179.6	0	0	0	0	0	113.5	P408 Q409 W459	P408-A461 HydrophobicContact CG-CB 4.39Å; Q409-A461 PolarHBondContact NE2-O 3.32Å; W459-A461 PolarHBondContact O-N 3.24Å
462	L	93.6	Very high	94.6	Very high	89 Å²	89	29.8 Å²	29.8	47%	0.466	15%	0.15	S	C	.	.	S	Bend	trans	-104.6	-19.9	-174.4	-60.9	174.8	0	0	0	113.8	N460 H513 A515	N460-L462 PolarHBondContact O-N 2.95Å; N460-L462 PolarHBondContact OD1-N 3.43Å; L462-H513 WeakPolarHBondContact CD1-O 3.32Å; L462-A515 HydrophobicContact CB-CB 3.78Å; L462-A515 HydrophobicContact CD1-CB 4.1Å
463	R	93.5	Very high	94.7	Very high	84 Å²	84	26 Å²	26	32%	0.317	14%	0.135	S	C	.	.	S	Bend	trans	-124.5	111.3	175.9	-71	178.3	179.4	-176.6	-1.4	110.1	N460 G465 H466 A515	N460-R463 HydrophobicContact CB-CB 4.39Å; N460-R463 PolarHBondContact OD1-N 3.25Å; R463-G465 PolarHBondContact O-N 3.23Å; R463-H466 HydrophobicContact CB-CB 4.43Å; R463-H466 PolarHBondContact O-N 3.37Å; R463-A515 HydrophobicContact CG-CB 3.97Å
464	T	92.7	Very high	94.8	Very high	68 Å²	68	25.4 Å²	25.4	42%	0.417	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	133.1	-179.9	-51.6	0	0	0	0	111.7	M407 Q409 H466 T482	M407-T464 HydrophobicContact CE-CG2 4.18Å; M407-T464 HydrophobicContact SD-CG2 4.2Å; Q409-T464 HydrophobicContact CB-CG2 4.22Å; T464-H466 VanDerWaalsContact C-N 3.29Å; T464-H466 PolarHBondContact O-N 3.34Å; T464-T482 HydrophobicContact CG2-CG2 4.15Å
465	G	91.3	Very high	95	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	0.1	173.3	0	0	0	0	0	116.9	R463 N480 V481	R463-G465 PolarHBondContact O-N 3.23Å; G465-N480 WeakPolarHBondContact O-CA 3.37Å; G465-V481 VanDerWaalsContact CA-CG2 3.46Å; G465-V481 WeakPolarHBondContact O-CG2 3.26Å; G465-V481 PolarHBondContact O-N 3.31Å
466	H	95.3	Very high	95.2	Very high	29 Å²	29	22.5 Å²	22.5	13%	0.134	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118	173	-74.6	-108.6	0	0	0	110.6	N460 R463 T464 H478 W479	N460-H466 HydrophobicContact CB-CB 3.7Å; N460-H466 WeakPolarHBondContact CB-O 3.32Å; N460-H466 PolarHBondContact N-O 2.94Å; R463-H466 HydrophobicContact CB-CB 4.43Å; R463-H466 PolarHBondContact O-N 3.37Å; T464-H466 VanDerWaalsContact C-N 3.29Å; T464-H466 PolarHBondContact O-N 3.34Å; H466-H478 AromaticContact CG-NE2 3.78Å; H466-H478 AromaticContact ND1-CE1 3.6Å; H466-H478 AromaticContact ND1-NE2 3.08Å; H466-H478 PolarHBondContact ND1-NE2 3.29Å; H466-W479 WeakPolarHBondContact CA-O 3.44Å
467	L	96.2	Very high	95.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.3	-178.6	-176.7	61.7	0	0	0	110.3	A415 I423 L447 L457 W459 H478 W479	A415-L467 HydrophobicContact CB-CD1 4.39Å; A415-L467 HydrophobicContact CB-CD2 3.79Å; I423-L467 HydrophobicContact CG2-CD2 3.95Å; L447-L467 HydrophobicContact CD1-CD2 3.71Å; L457-L467 HydrophobicContact CD1-CD1 3.78Å; L457-L467 HydrophobicContact CD1-CD2 4.12Å; L457-L467 HydrophobicContact CD1-CG 4.1Å; L457-L467 HydrophobicContact CG-CD1 4.06Å; W459-L467 HydrophobicContact CD2-CB 4.42Å; W459-L467 HydrophobicContact CD2-CD1 3.69Å; W459-L467 HydrophobicContact CE3-CB 3.85Å; W459-L467 HydrophobicContact CE3-CD1 4Å; W459-L467 HydrophobicContact CE3-CG 4.43Å; W459-L467 HydrophobicContact CG-CD1 3.99Å; W459-L467 HydrophobicContact CH2-CB 4.26Å; W459-L467 HydrophobicContact CH2-CD2 4.19Å; W459-L467 HydrophobicContact CZ2-CD1 4.34Å; W459-L467 HydrophobicContact CZ2-CD2 4.26Å; W459-L467 HydrophobicContact CZ3-CB 3.73Å; W459-L467 HydrophobicContact CZ3-CD1 4.42Å; W459-L467 HydrophobicContact CZ3-CD2 4.48Å; W459-L467 HydrophobicContact CZ3-CG 4.44Å; L467-H478 WeakPolarHBondContact O-CA 3.14Å; L467-H478 PolarHBondContact O-CD2 3.25Å; L467-W479 PolarHBondContact N-O 3.36Å; L467-W479 PolarHBondContact O-N 3.33Å
468	L	97.1	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.1	167.5	-69.5	174.9	0	0	0	110.6	L457 S458 V476 Y477 H478 V508 W510 F518	L457-L468 WeakPolarHBondContact CA-O 3.35Å; S458-L468 PolarHBondContact N-O 3.39Å; S458-L468 PolarHBondContact O-N 2.83Å; L468-V476 HydrophobicContact CB-CG1 4.14Å; L468-V476 HydrophobicContact CD1-CG1 4.44Å; L468-V476 HydrophobicContact CD2-CG1 3.85Å; L468-V476 HydrophobicContact CG-CG1 4.35Å; L468-Y477 VanDerWaalsContact CA-O 3.31Å; L468-Y477 WeakPolarHBondContact CA-O 3.5Å; L468-H478 HydrophobicContact CD2-CB 3.66Å; L468-V508 HydrophobicContact CB-CG1 4.3Å; L468-V508 HydrophobicContact CB-CG2 3.97Å; L468-V508 HydrophobicContact CD1-CG2 3.86Å; L468-W510 HydrophobicContact CD1-CD2 3.8Å; L468-W510 HydrophobicContact CD1-CE3 4.4Å; L468-W510 HydrophobicContact CD1-CG 4.3Å; L468-W510 HydrophobicContact CD1-CH2 4.06Å; L468-W510 HydrophobicContact CD1-CZ2 3.4Å; L468-W510 HydrophobicContact CD2-CZ2 3.96Å; L468-W510 HydrophobicContact CG-CD2 4.42Å; L468-W510 VanDerWaalsContact CG-CE2 3.4Å; L468-W510 HydrophobicContact CG-CH2 4.42Å; L468-W510 HydrophobicContact CG-CZ2 3.42Å; L468-W510 VanDerWaalsContact CG-CZ2 3.42Å; L468-W510 VanDerWaalsContact CG-NE1 3.27Å; L468-F518 HydrophobicContact CD1-CB 3.81Å; L468-F518 HydrophobicContact CD1-CD1 3.97Å; L468-F518 HydrophobicContact CD1-CD2 3.72Å; L468-F518 HydrophobicContact CD1-CE1 4.45Å; L468-F518 HydrophobicContact CD1-CE2 4.22Å; L468-F518 HydrophobicContact CD1-CG 3.56Å
469	S	97.2	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140	169.3	-173.9	0	0	0	0	112.2	Q417 Q450 G456 V476 Y477	Q417-S469 PolarHBondContact NE2-OG 3.48Å; Q417-S469 PolarHBondContact OE1-OG 2.84Å; Q450-S469 PolarHBondContact OE1-OG 3.13Å; G456-S469 CarbonylContact O-C 3.54Å; G456-S469 WeakPolarHBondContact O-CA 3.27Å; G456-S469 PolarHBondContact O-OG 3.09Å; S469-V476 CarbonylContact O-C 3.53Å; S469-V476 VanDerWaalsContact O-CA 3.26Å; S469-V476 WeakPolarHBondContact O-CA 3.32Å; S469-V476 WeakPolarHBondContact O-CG1 3.36Å; S469-Y477 PolarHBondContact N-O 3.28Å; S469-Y477 PolarHBondContact O-N 3.12Å
470	S	96.2	Very high	94.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	154.6	172.9	80.8	0	0	0	0	110.9	Q417 Q450 G454 G456 A505	Q417-S470 PolarHBondContact NE2-O 2.74Å; Q450-S470 PolarHBondContact NE2-O 2.91Å; Q450-S470 VanDerWaalsContact NE2-O 3.1Å; G454-S470 WeakPolarHBondContact CA-O 3.38Å; G456-S470 WeakPolarHBondContact CA-OG 3.1Å; G456-S470 PolarHBondContact N-OG 2.91Å; G456-S470 PolarHBondContact O-N 3.25Å; S470-A505 WeakPolarHBondContact CB-O 3.38Å; S470-A505 PolarHBondContact OG-O 2.89Å
471	S	96	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.			trans	-133.7	150.5	-179.6	179.1	0	0	0	0	111.1	K452 N473 G474 C475 A505	K452-S471 PolarHBondContact O-OG 2.97Å; S471-N473 VanDerWaalsContact CB-OD1 3.23Å; S471-N473 WeakPolarHBondContact CB-OD1 3.5Å; S471-N473 PolarHBondContact O-N 3.15Å; S471-N473 VanDerWaalsContact O-N 3.08Å; S471-N473 PolarHBondContact OG-N 2.64Å; S471-N473 PolarHBondContact OG-OD1 3.48Å; S471-G474 PolarHBondContact O-N 2.93Å; S471-C475 PolarHBondContact N-O 3.09Å; S471-A505 WeakPolarHBondContact O-CB 3.27Å; S471-A505 PolarHBondContact O-N 3.33Å; S471-A505 VanDerWaalsContact O-N 3.09Å
472	Q	95.1	Very high	94.2	Very high	84 Å²	84	25.7 Å²	25.7	39%	0.393	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.7	173	-72.5	169.4	-1.5	0	0	113.4	K452 A453 G474 S504	K452-Q472 HydrophobicContact CB-CB 4.14Å; K452-Q472 HydrophobicContact CD-CB 4.34Å; A453-Q472 WeakPolarHBondContact O-CB 3.32Å; A453-Q472 WeakPolarHBondContact O-CG 3.28Å; A453-Q472 PolarHBondContact O-N 3.35Å; Q472-G474 PolarHBondContact O-N 2.97Å; Q472-S504 WeakPolarHBondContact O-CA 3.37Å
473	N	94.1	Very high	93.5	Very high	37 Å²	37	24.1 Å²	24.1	20%	0.198	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	5	173.2	79.7	-11.9	0	0	0	113.7	E451 K452 S471 C475 Y477	E451-N473 PolarHBondContact OE2-ND2 3.35Å; K452-N473 HydrophobicContact CB-CB 4.44Å; K452-N473 HydrophobicContact CD-CB 4.15Å; K452-N473 HydrophobicContact CG-CB 4.29Å; S471-N473 VanDerWaalsContact CB-OD1 3.23Å; S471-N473 WeakPolarHBondContact CB-OD1 3.5Å; S471-N473 PolarHBondContact O-N 3.15Å; S471-N473 VanDerWaalsContact O-N 3.08Å; S471-N473 PolarHBondContact OG-N 2.64Å; S471-N473 PolarHBondContact OG-OD1 3.48Å; N473-C475 VanDerWaalsContact C-N 3.28Å; N473-C475 PolarHBondContact O-N 3.42Å; N473-C475 WeakPolarHBondContact OD1-CB 3.1Å; N473-C475 PolarHBondContact OD1-N 3.43Å; N473-Y477 PolarHBondContact ND2-OH 3.08Å
474	G	94.3	Very high	92.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	80.8	4.8	179.4	0	0	0	0	0	114.9	S471 Q472 C500 H501 G503	S471-G474 PolarHBondContact O-N 2.93Å; Q472-G474 PolarHBondContact O-N 2.97Å; G474-C500 PolarHBondContact O-N 2.81Å; G474-H501 PolarHBondContact O-N 3.47Å; G474-G503 WeakPolarHBondContact CA-O 3.33Å; G474-G503 PolarHBondContact N-O 3.33Å
475	C	96.3	Very high	90.4	Very high	8 Å²	8	26 Å²	26	5%	0.054	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	155.2	177.5	-56.5	0	0	0	0	111.9	S471 N473 Y477 R497 F498	S471-C475 PolarHBondContact N-O 3.09Å; N473-C475 VanDerWaalsContact C-N 3.28Å; N473-C475 PolarHBondContact O-N 3.42Å; N473-C475 WeakPolarHBondContact OD1-CB 3.1Å; N473-C475 PolarHBondContact OD1-N 3.43Å; C475-Y477 HydrophobicContact CB-CD2 4.49Å; C475-Y477 HydrophobicContact CB-CE2 3.83Å; C475-R497 HydrophobicContact CB-CG 4.07Å; C475-F498 CarbonylContact C-O 3.54Å; C475-F498 WeakPolarHBondContact CA-O 3.21Å; C475-F498 WeakPolarHBondContact CB-O 3.43Å
476	V	96.6	Very high	88.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.8	166	171.5	0	0	0	0	109.2	L468 S469 R497 F498 V508 F518 T520	L468-V476 HydrophobicContact CB-CG1 4.14Å; L468-V476 HydrophobicContact CD1-CG1 4.44Å; L468-V476 HydrophobicContact CD2-CG1 3.85Å; L468-V476 HydrophobicContact CG-CG1 4.35Å; S469-V476 CarbonylContact O-C 3.53Å; S469-V476 VanDerWaalsContact O-CA 3.26Å; S469-V476 WeakPolarHBondContact O-CA 3.32Å; S469-V476 WeakPolarHBondContact O-CG1 3.36Å; V476-R497 CarbonylContact O-C 3.56Å; V476-R497 WeakPolarHBondContact O-CA 3.38Å; V476-F498 HydrophobicContact CB-CB 4.38Å; V476-F498 PolarHBondContact N-O 2.88Å; V476-F498 PolarHBondContact O-N 2.89Å; V476-V508 HydrophobicContact CG1-CG2 4.1Å; V476-V508 HydrophobicContact CG2-CB 4.4Å; V476-V508 HydrophobicContact CG2-CG2 4.41Å; V476-F518 HydrophobicContact CG1-CE2 4.49Å; V476-T520 HydrophobicContact CG2-CG2 3.67Å
477	Y	96.6	Very high	86.6	Confident	3 Å²	3	38.3 Å²	38.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.5	-178.9	-64.4	-91.9	0	0	0	110.4	G449 Q450 L468 S469 N473 C475 W479 R496 R497	G449-Y477 WeakPolarHBondContact O-CE1 2.95Å; Q450-Y477 HydrophobicContact CB-CD2 3.9Å; Q450-Y477 HydrophobicContact CB-CE2 4.03Å; Q450-Y477 HydrophobicContact CB-CG 4.26Å; Q450-Y477 HydrophobicContact CG-CD2 4.06Å; Q450-Y477 HydrophobicContact CG-CE2 4Å; L468-Y477 VanDerWaalsContact CA-O 3.31Å; L468-Y477 WeakPolarHBondContact CA-O 3.5Å; S469-Y477 PolarHBondContact N-O 3.28Å; S469-Y477 PolarHBondContact O-N 3.12Å; N473-Y477 PolarHBondContact ND2-OH 3.08Å; C475-Y477 HydrophobicContact CB-CD2 4.49Å; C475-Y477 HydrophobicContact CB-CE2 3.83Å; Y477-W479 VanDerWaalsContact CB-CZ3 3.44Å; Y477-W479 HydrophobicContact CG-CH2 4.12Å; Y477-W479 WeakPolarHBondContact O-CZ3 3.33Å; Y477-R496 WeakPolarHBondContact CA-O 3.36Å; Y477-R497 HydrophobicContact CD1-CB 4.23Å; Y477-R497 HydrophobicContact CD1-CG 4.04Å; Y477-R497 HydrophobicContact CE1-CB 4.24Å; Y477-R497 HydrophobicContact CE1-CG 3.69Å
478	H	95.7	Very high	84.5	Confident	4 Å²	4	48 Å²	48	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.8	-177.6	171.2	-108.4	0	0	0	111.5	H466 L467 L468 S494 I495 R496 F498 F532	H466-H478 AromaticContact CG-NE2 3.78Å; H466-H478 AromaticContact ND1-CE1 3.6Å; H466-H478 AromaticContact ND1-NE2 3.08Å; H466-H478 PolarHBondContact ND1-NE2 3.29Å; L467-H478 WeakPolarHBondContact O-CA 3.14Å; L467-H478 PolarHBondContact O-CD2 3.25Å; L468-H478 HydrophobicContact CD2-CB 3.66Å; H478-S494 CarbonylContact O-C 3.56Å; H478-S494 WeakPolarHBondContact O-CA 3.35Å; H478-I495 PolarHBondContact O-N 3.24Å; H478-R496 HydrophobicContact CB-CB 3.99Å; H478-R496 PolarHBondContact N-O 3.14Å; H478-F498 HydrophobicContact CB-CE2 4.35Å; H478-F532 HydrophobicContact CB-CE2 4.25Å; H478-F532 AromaticContact CD2-CE2 3.81Å; H478-F532 AromaticContact CE1-CZ 3.58Å; H478-F532 AromaticContact CG-CE2 3.61Å; H478-F532 AromaticContact CG-CZ 3.88Å; H478-F532 AromaticContact ND1-CE2 3.78Å; H478-F532 AromaticContact ND1-CZ 3.57Å; H478-F532 AromaticContact NE2-CZ 3.84Å
479	W	94.2	Very high	82.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.3	170.9	-61.4	-98.6	0	0	0	110.7	I423 L447 N448 Q450 H466 L467 Y477	I423-W479 HydrophobicContact CD1-CE3 4.04Å; I423-W479 HydrophobicContact CD1-CH2 3.3Å; I423-W479 HydrophobicContact CD1-CZ2 4.02Å; I423-W479 HydrophobicContact CD1-CZ3 3.34Å; I423-W479 HydrophobicContact CG1-CH2 4.49Å; L447-W479 HydrophobicContact CB-CD2 4.25Å; L447-W479 HydrophobicContact CB-CG 4.18Å; L447-W479 HydrophobicContact CD1-CB 4.13Å; L447-W479 HydrophobicContact CD1-CD2 4.36Å; L447-W479 HydrophobicContact CD1-CG 4.03Å; L447-W479 HydrophobicContact CD2-CB 4.33Å; L447-W479 HydrophobicContact CD2-CG 4.12Å; L447-W479 HydrophobicContact CG-CG 4.34Å; N448-W479 PolarHBondContact O-NE1 2.84Å; Q450-W479 HydrophobicContact CB-CH2 4.31Å; H466-W479 WeakPolarHBondContact CA-O 3.44Å; L467-W479 PolarHBondContact N-O 3.36Å; L467-W479 PolarHBondContact O-N 3.33Å; Y477-W479 VanDerWaalsContact CB-CZ3 3.44Å; Y477-W479 HydrophobicContact CG-CH2 4.12Å; Y477-W479 WeakPolarHBondContact O-CZ3 3.33Å
480	N	92.2	Very high	81.8	Confident	26 Å²	26	58.5 Å²	58.5	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	99.1	166.9	-178.5	2.8	0	0	0	109	G465 T482 A483 M492 I495	G465-N480 WeakPolarHBondContact O-CA 3.37Å; N480-T482 PolarHBondContact O-N 3Å; N480-T482 PolarHBondContact OD1-N 2.83Å; N480-T482 PolarHBondContact OD1-OG1 2.93Å; N480-A483 HydrophobicContact CB-CB 4.12Å; N480-A483 PolarHBondContact O-N 3.43Å; N480-M492 WeakPolarHBondContact O-CE 3.46Å; N480-I495 HydrophobicContact CB-CD1 3.5Å
481	V	88.9	Confident	81.2	Confident	23 Å²	23	59.9 Å²	59.9	14%	0.139	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.4	-177	-53.6	0	0	0	0	113.5	L425 L445 L447 W459 G465 V484	L425-V481 HydrophobicContact CD2-CB 4.28Å; L425-V481 HydrophobicContact CD2-CG1 4.28Å; L445-V481 HydrophobicContact CD2-CB 4.37Å; L445-V481 HydrophobicContact CD2-CG1 4.21Å; L447-V481 HydrophobicContact CD1-CG1 4Å; L447-V481 HydrophobicContact CD2-CG1 4.17Å; W459-V481 HydrophobicContact CH2-CG1 4.23Å; W459-V481 HydrophobicContact CH2-CG2 3.87Å; W459-V481 HydrophobicContact CZ3-CG2 3.91Å; G465-V481 VanDerWaalsContact CA-CG2 3.46Å; G465-V481 WeakPolarHBondContact O-CG2 3.26Å; G465-V481 PolarHBondContact O-N 3.31Å; V481-V484 WeakPolarHBondContact O-CG2 3.27Å
482	T	85.6	Confident	80.8	Confident	85 Å²	85	61.3 Å²	61.3	52%	0.521	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-24.1	171.6	61.3	0	0	0	0	112.6	T464 N480 V484	T464-T482 HydrophobicContact CG2-CG2 4.15Å; N480-T482 PolarHBondContact O-N 3Å; N480-T482 PolarHBondContact OD1-N 2.83Å; N480-T482 PolarHBondContact OD1-OG1 2.93Å; T482-V484 PolarHBondContact O-N 3.37Å; T482-V484 VanDerWaalsContact O-N 3.08Å
483	A	77.3	Confident	80.5	Confident	56 Å²	56	62.7 Å²	62.7	46%	0.463	33%	0.333	S	S	.	.	S	Bend	trans	-80	20	178.4	0	0	0	0	0	112.9	N480 N485	N480-A483 HydrophobicContact CB-CB 4.12Å; N480-A483 PolarHBondContact O-N 3.43Å; A483-N485 VanDerWaalsContact C-N 3.35Å; A483-N485 PolarHBondContact O-N 2.87Å
484	V	65.2	Low	80.4	Confident	43 Å²	43	62.5 Å²	62.5	26%	0.261	33%	0.334	S	S	.	.			trans	-70	93.2	-177.8	179.8	0	0	0	0	108.4	L445 V481 T482 R486 M492	L445-V484 HydrophobicContact CD2-CG2 4.03Å; V481-V484 WeakPolarHBondContact O-CG2 3.27Å; T482-V484 PolarHBondContact O-N 3.37Å; T482-V484 VanDerWaalsContact O-N 3.08Å; V484-R486 HydrophobicContact CG1-CB 4.21Å; V484-R486 HydrophobicContact CG1-CG 3.64Å; V484-R486 PolarHBondContact O-N 2.74Å; V484-M492 HydrophobicContact CB-CE 4.12Å; V484-M492 HydrophobicContact CG2-CE 3.42Å; V484-M492 VanDerWaalsContact CG2-CE 3.42Å; V484-M492 HydrophobicContact CG2-SD 4.47Å
485	N	56	Low	80.3	Confident	147 Å²	147	66.5 Å²	66.5	79%	0.786	36%	0.355	S	S	*	.			trans	-61.3	103.2	141.1	-86.7	-4.9	0	0	0	104.3	A483 T487	A483-N485 VanDerWaalsContact C-N 3.35Å; A483-N485 PolarHBondContact O-N 2.87Å; N485-T487 PolarHBondContact O-N 3.09Å
486	R	54.7	Low	80.2	Confident	201 Å²	201	69.1 Å²	69.1	76%	0.758	36%	0.363	S	S	*	.			trans	-59.5	90.4	178.8	-70.1	-179	179.1	167.8	2.9	107.2	V484	V484-R486 HydrophobicContact CG1-CB 4.21Å; V484-R486 HydrophobicContact CG1-CG 3.64Å; V484-R486 PolarHBondContact O-N 2.74Å
487	T	53.5	Low	80.1	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.534	39%	0.387	S	S	.	.			trans	-62.1	141.9	163.6	53	0	0	0	0	106.1	N485 K489 G490 A491	N485-T487 PolarHBondContact O-N 3.09Å; T487-K489 PolarHBondContact O-N 3.38Å; T487-G490 PolarHBondContact O-N 2.85Å; T487-A491 PolarHBondContact OG1-O 3.4Å
488	E	51.1	Low	80	Confident	203 Å²	203	75.3 Å²	75.3	95%	0.949	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-5.9	-171	-64.7	176.8	158.7	0	0	114.7
489	K	61.8	Low	79.9	Confident	189 Å²	189	82.2 Å²	82.2	82%	0.822	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	7.3	-173.7	-63.9	-172.3	177.5	-178.5	0	115.4	T487 A491	T487-K489 PolarHBondContact O-N 3.38Å; K489-A491 PolarHBondContact O-N 2.92Å; K489-A491 VanDerWaalsContact O-N 3.13Å
490	G	76.8	Confident	79.8	Confident	32 Å²	32	82.8 Å²	82.8	33%	0.33	42%	0.42	S	S	.	.	S	Bend	trans	58.8	32	174.4	0	0	0	0	0	113.8	L445 R446 T487	L445-G490 WeakPolarHBondContact CA-O 3.3Å; R446-G490 PolarHBondContact N-O 3.13Å; T487-G490 PolarHBondContact O-N 2.85Å
491	A	84	Confident	79.9	Confident	30 Å²	30	81.9 Å²	81.9	25%	0.248	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.7	180	0	0	0	0	0	111.5	R446 T487 K489	R446-A491 HydrophobicContact CB-CB 4.27Å; R446-A491 CarbonylContact O-C 3.56Å; R446-A491 VanDerWaalsContact O-CA 3.22Å; R446-A491 WeakPolarHBondContact O-CA 3.2Å; T487-A491 PolarHBondContact OG1-O 3.4Å; K489-A491 PolarHBondContact O-N 2.92Å; K489-A491 VanDerWaalsContact O-N 3.13Å
492	M	87.2	Confident	80.1	Confident	29 Å²	29	87.8 Å²	87.8	14%	0.143	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.4	-179.7	173.6	-179.1	-83.2	0	0	110.4	L445 R446 L447 N448 N480 V484	L445-M492 HydrophobicContact CD1-CB 4.41Å; L445-M492 HydrophobicContact CD2-CB 4.49Å; R446-M492 PolarHBondContact O-N 3.21Å; L447-M492 CarbonylContact C-O 3.5Å; L447-M492 WeakPolarHBondContact CA-O 3.46Å; L447-M492 HydrophobicContact CD2-CB 3.95Å; L447-M492 HydrophobicContact CD2-CG 4.39Å; L447-M492 HydrophobicContact CD2-SD 4.31Å; N448-M492 PolarHBondContact N-O 3.49Å; N480-M492 WeakPolarHBondContact O-CE 3.46Å; V484-M492 HydrophobicContact CB-CE 4.12Å; V484-M492 HydrophobicContact CG2-CE 3.42Å; V484-M492 VanDerWaalsContact CG2-CE 3.42Å; V484-M492 HydrophobicContact CG2-SD 4.47Å
493	N	89.3	Confident	80.4	Confident	114 Å²	114	85.6 Å²	85.6	61%	0.61	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.6	173.1	-69.1	-30.8	0	0	0	111.4	N448 I495	N448-N493 WeakPolarHBondContact CB-OD1 3.08Å; N448-N493 CarbonylContact O-C 3.51Å; N448-N493 WeakPolarHBondContact O-CA 3.45Å; N493-I495 PolarHBondContact O-N 2.89Å
494	S	91	Very high	81.2	Confident	33 Å²	33	84.1 Å²	84.1	23%	0.231	43%	0.425	C	S	.	.			trans	-58.9	135.8	175.4	63.6	0	0	0	0	111.6	N448 H478	N448-S494 PolarHBondContact O-N 3.49Å; H478-S494 CarbonylContact O-C 3.56Å; H478-S494 WeakPolarHBondContact O-CA 3.35Å
495	I	92	Very high	82.7	Confident	84 Å²	84	82.1 Å²	82.1	43%	0.431	41%	0.413	S	S	.	.	S	Bend	trans	-81.8	-39.9	-179.9	-57.8	175.6	0	0	0	110.7	H478 N480 N493	H478-I495 PolarHBondContact O-N 3.24Å; N480-I495 HydrophobicContact CB-CD1 3.5Å; N493-I495 PolarHBondContact O-N 2.89Å
496	R	93.6	Very high	84.7	Confident	62 Å²	62	76.2 Å²	76.2	23%	0.234	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.7	179.3	-50.3	-174.8	176.4	-169.9	-2.2	110.5	Y477 H478 F498 F532	Y477-R496 WeakPolarHBondContact CA-O 3.36Å; H478-R496 HydrophobicContact CB-CB 3.99Å; H478-R496 PolarHBondContact N-O 3.14Å; R496-F498 HydrophobicContact CB-CE2 3.89Å; R496-F498 HydrophobicContact CB-CZ 4.29Å; R496-F532 PolarHBondContact NH1-O 2.85Å
497	R	94.7	Very high	86.7	Confident	132 Å²	132	67 Å²	67	50%	0.498	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.2	170.9	-174.5	179	70.9	154.6	0.9	108.3	E451 C475 V476 Y477	E451-R497 IonicContact OE1-NH1 2.76Å; E451-R497 PolarHBondContact OE1-NH1 2.87Å; C475-R497 HydrophobicContact CB-CG 4.07Å; V476-R497 CarbonylContact O-C 3.56Å; V476-R497 WeakPolarHBondContact O-CA 3.38Å; Y477-R497 HydrophobicContact CD1-CB 4.23Å; Y477-R497 HydrophobicContact CD1-CG 4.04Å; Y477-R497 HydrophobicContact CE1-CB 4.24Å; Y477-R497 HydrophobicContact CE1-CG 3.69Å
498	F	95.5	Very high	88.8	Confident	2 Å²	2	63 Å²	63	1%	0.009	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.3	175	-60	-93.4	0	0	0	107.8	C475 V476 H478 R496 C500 F518 W530 F532 R537	C475-F498 CarbonylContact C-O 3.54Å; C475-F498 WeakPolarHBondContact CA-O 3.21Å; C475-F498 WeakPolarHBondContact CB-O 3.43Å; V476-F498 HydrophobicContact CB-CB 4.38Å; V476-F498 PolarHBondContact N-O 2.88Å; V476-F498 PolarHBondContact O-N 2.89Å; H478-F498 HydrophobicContact CB-CE2 4.35Å; R496-F498 HydrophobicContact CB-CE2 3.89Å; R496-F498 HydrophobicContact CB-CZ 4.29Å; F498-C500 VanDerWaalsContact CB-SG 3.55Å; F498-C500 PolarHBondContact O-N 2.83Å; F498-F518 AromaticContact CD1-CZ 3.92Å; F498-F518 HydrophobicContact CD1-CZ 3.92Å; F498-F518 HydrophobicContact CD2-CZ 4.04Å; F498-F518 HydrophobicContact CE1-CE1 4.22Å; F498-F518 AromaticContact CE1-CZ 3.96Å; F498-F518 HydrophobicContact CE1-CZ 3.96Å; F498-F518 HydrophobicContact CE2-CE1 4.43Å; F498-F518 HydrophobicContact CE2-CZ 4.09Å; F498-F518 AromaticContact CG-CZ 3.96Å; F498-F518 HydrophobicContact CG-CZ 3.96Å; F498-F518 HydrophobicContact CZ-CE1 4.12Å; F498-F518 HydrophobicContact CZ-CZ 4.05Å; F498-W530 HydrophobicContact CB-CZ3 4.47Å; F498-W530 AromaticContact CD1-CE3 3.9Å; F498-W530 HydrophobicContact CD1-CE3 3.9Å; F498-W530 HydrophobicContact CD1-CZ3 4.23Å; F498-F532 HydrophobicContact CE2-CD2 4.14Å; F498-F532 HydrophobicContact CE2-CE2 4.13Å; F498-F532 AromaticContact CZ-CD2 3.68Å; F498-F532 HydrophobicContact CZ-CD2 3.68Å; F498-F532 AromaticContact CZ-CE2 3.96Å; F498-F532 HydrophobicContact CZ-CE2 3.96Å; F498-R537 HydrophobicContact CD1-CB 3.74Å; F498-R537 HydrophobicContact CD1-CG 4.04Å; F498-R537 HydrophobicContact CE1-CB 4.07Å; F498-R537 HydrophobicContact CE1-CG 3.82Å; F498-R537 HydrophobicContact CG-CB 4.45Å
499	K	93.3	Very high	91	Very high	148 Å²	148	53.8 Å²	53.8	64%	0.643	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	99.7	176.1	-177	174.7	-179.6	178.1	0	107.5	W530 R537	K499-W530 WeakPolarHBondContact O-CH2 3.44Å; K499-R537 PolarHBondContact N-O 3.01Å
500	C	92.6	Very high	92.7	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.081	24%	0.244	C	C	.	.			trans	-99.2	-43.3	-162.4	-60.7	0	0	0	0	114.5	G474 F498 T520 W530	G474-C500 PolarHBondContact O-N 2.81Å; F498-C500 VanDerWaalsContact CB-SG 3.55Å; F498-C500 PolarHBondContact O-N 2.83Å; C500-T520 HydrophobicContact CB-CG2 4.48Å; C500-W530 VanDerWaalsContact CA-CZ2 3.49Å; C500-W530 HydrophobicContact CB-CZ2 3.69Å; C500-W530 VanDerWaalsContact SG-CE2 3.57Å; C500-W530 WeakPolarHBondContact SG-CZ2 3.41Å
501	H	94.5	Very high	93.6	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.037	23%	0.228	C	C	.	.			trans	-133.2	156.2	-169.5	-68.2	-77.4	0	0	0	111.9	G474 G503 T520 V521 D524 K526	G474-H501 PolarHBondContact O-N 3.47Å; H501-G503 PolarHBondContact O-N 2.86Å; H501-T520 WeakPolarHBondContact NE2-CB 3.47Å; H501-T520 PolarHBondContact NE2-O 3.05Å; H501-T520 PolarHBondContact NE2-OG1 2.97Å; H501-V521 PolarHBondContact NE2-N 2.81Å; H501-D524 VanDerWaalsContact CA-OD2 3.26Å; H501-D524 WeakPolarHBondContact CA-OD2 3.44Å; H501-D524 WeakPolarHBondContact CB-OD2 3.11Å; H501-D524 IonicContact CE1-OD1 3.08Å; H501-D524 IonicContact CG-OD1 3.21Å; H501-D524 IonicContact CG-OD2 3.01Å; H501-D524 IonicContact ND1-OD1 2.97Å; H501-D524 PolarHBondContact ND1-OD1 3.41Å; H501-D524 IonicContact ND1-OD2 3.89Å; H501-D524 PolarHBondContact ND1-OD2 2.82Å; H501-K526 PolarHBondContact CE1-O 3.01Å; H501-K526 VanDerWaalsContact CE1-O 3.25Å
502	I	91.6	Very high	94.1	Very high	147 Å²	147	43.7 Å²	43.7	75%	0.754	23%	0.225	S	C	*	.	S	Bend	trans	-92.5	92.1	169.9	-55.6	173.3	0	0	0	107.7	D524	I502-D524 HydrophobicContact CB-CB 4.38Å; I502-D524 PolarHBondContact N-OD2 2.91Å; I502-D524 VanDerWaalsContact N-OD2 3.07Å; I502-D524 WeakPolarHBondContact O-CB 3.44Å
503	G	92.6	Very high	94.4	Very high	39 Å²	39	44.1 Å²	44.1	40%	0.402	23%	0.226	S	C	.	.	S	Bend	trans	118.9	-159.2	-171.3	0	0	0	0	0	110.9	G474 H501	G474-G503 WeakPolarHBondContact CA-O 3.33Å; G474-G503 PolarHBondContact N-O 3.33Å; H501-G503 PolarHBondContact O-N 2.86Å
504	S	95	Very high	94.6	Very high	24 Å²	24	39 Å²	39	17%	0.168	20%	0.199	C	C	.	.			trans	-67.9	134.4	-179	179	0	0	0	0	111.9	Q472 N506 G522 S523	Q472-S504 WeakPolarHBondContact O-CA 3.37Å; S504-N506 WeakPolarHBondContact CB-OD1 3.29Å; S504-N506 PolarHBondContact OG-OD1 2.87Å; S504-G522 CarbonylContact O-C 3.49Å; S504-G522 WeakPolarHBondContact O-CA 3.49Å; S504-S523 PolarHBondContact O-N 2.85Å
505	A	96.7	Very high	94.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	103.9	164.1	0	0	0	0	0	108.1	S470 S471 V521	S470-A505 WeakPolarHBondContact CB-O 3.38Å; S470-A505 PolarHBondContact OG-O 2.89Å; S471-A505 WeakPolarHBondContact O-CB 3.27Å; S471-A505 PolarHBondContact O-N 3.33Å; S471-A505 VanDerWaalsContact O-N 3.09Å; A505-V521 CarbonylContact C-O 3.55Å
506	N	96.9	Very high	94.8	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-38.2	-168.8	-67.3	-22.4	0	0	0	112	S504 V521 A551	S504-N506 WeakPolarHBondContact CB-OD1 3.29Å; S504-N506 PolarHBondContact OG-OD1 2.87Å; N506-V521 PolarHBondContact N-O 2.8Å; N506-A551 WeakPolarHBondContact CB-O 3.33Å; N506-A551 PolarHBondContact ND2-O 2.92Å
507	D	97.2	Very high	94.9	Very high	8 Å²	8	33 Å²	33	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.8	-179.5	-156.4	7.1	0	0	0	113.2	R403 G456 T520 V521 C553 V554	R403-D507 IonicContact CZ-OD1 2.72Å; R403-D507 IonicContact NH1-OD1 3.31Å; R403-D507 PolarHBondContact NH1-OD1 3.16Å; R403-D507 IonicContact NH1-OD2 3.33Å; R403-D507 IonicContact NH2-OD1 3.44Å; R403-D507 IonicContact NH2-OD2 3.58Å; G456-D507 WeakPolarHBondContact CA-OD1 3.27Å; D507-T520 WeakPolarHBondContact O-CA 3.33Å; D507-V521 HydrophobicContact CB-CG2 3.78Å; D507-V521 PolarHBondContact N-O 3.25Å; D507-V521 PolarHBondContact O-N 2.85Å; D507-V521 VanDerWaalsContact O-N 3.16Å; D507-C553 WeakPolarHBondContact OD2-CA 3.33Å; D507-V554 HydrophobicContact CB-CG1 4.17Å; D507-V554 PolarHBondContact OD2-N 2.96Å
508	V	97.5	Very high	95	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.9	177.4	59.6	0	0	0	0	109.9	S458 L468 V476 F518 A519 T520	S458-V508 WeakPolarHBondContact CB-O 3.47Å; L468-V508 HydrophobicContact CB-CG1 4.3Å; L468-V508 HydrophobicContact CB-CG2 3.97Å; L468-V508 HydrophobicContact CD1-CG2 3.86Å; V476-V508 HydrophobicContact CG1-CG2 4.1Å; V476-V508 HydrophobicContact CG2-CB 4.4Å; V476-V508 HydrophobicContact CG2-CG2 4.41Å; V508-F518 HydrophobicContact CG2-CD2 4.17Å; V508-A519 WeakPolarHBondContact CA-O 3.39Å; V508-T520 HydrophobicContact CB-CG2 4.36Å; V508-T520 HydrophobicContact CG2-CG2 4.02Å
509	A	97.6	Very high	95.1	Very high	11 Å²	11	26.6 Å²	26.6	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.8	176.6	0	0	0	0	0	111.4	F518 A519 V554 F556	A509-F518 CarbonylContact O-C 3.56Å; A509-F518 VanDerWaalsContact O-CA 3.27Å; A509-F518 WeakPolarHBondContact O-CA 3.47Å; A509-F518 WeakPolarHBondContact O-CB 3.26Å; A509-A519 PolarHBondContact N-O 2.91Å; A509-A519 PolarHBondContact O-N 2.98Å; A509-V554 HydrophobicContact CB-CG1 4.13Å; A509-F556 HydrophobicContact CB-CD2 4.06Å; A509-F556 WeakPolarHBondContact O-CE2 3.27Å
510	W	97.5	Very high	95.4	Very high	6 Å²	6	19.5 Å²	19.5	2%	0.023	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	148.1	163	-75.8	104.2	0	0	0	111.2	S458 W459 N460 L468 A515 F518 F532 F556	S458-W510 PolarHBondContact O-NE1 2.79Å; S458-W510 PolarHBondContact OG-N 3.14Å; W459-W510 VanDerWaalsContact C-CD1 3.41Å; N460-W510 HydrophobicContact CB-CD2 4Å; N460-W510 HydrophobicContact CB-CG 4.07Å; N460-W510 HydrophobicContact CB-CZ2 4.45Å; N460-W510 WeakPolarHBondContact ND2-CZ3 3.19Å; L468-W510 HydrophobicContact CD1-CD2 3.8Å; L468-W510 HydrophobicContact CD1-CE3 4.4Å; L468-W510 HydrophobicContact CD1-CG 4.3Å; L468-W510 HydrophobicContact CD1-CH2 4.06Å; L468-W510 HydrophobicContact CD1-CZ2 3.4Å; L468-W510 HydrophobicContact CD2-CZ2 3.96Å; L468-W510 HydrophobicContact CG-CD2 4.42Å; L468-W510 VanDerWaalsContact CG-CE2 3.4Å; L468-W510 HydrophobicContact CG-CH2 4.42Å; L468-W510 HydrophobicContact CG-CZ2 3.42Å; L468-W510 VanDerWaalsContact CG-CZ2 3.42Å; L468-W510 VanDerWaalsContact CG-NE1 3.27Å; W510-A515 VanDerWaalsContact CZ3-O 3.22Å; W510-A515 WeakPolarHBondContact CZ3-O 3.23Å; W510-F518 HydrophobicContact CD2-CB 4.16Å; W510-F518 HydrophobicContact CE3-CB 3.84Å; W510-F518 HydrophobicContact CE3-CD1 4.4Å; W510-F518 HydrophobicContact CH2-CD1 4.26Å; W510-F518 HydrophobicContact CZ3-CB 4.27Å; W510-F518 AromaticContact CZ3-CD1 3.96Å; W510-F518 HydrophobicContact CZ3-CD1 3.96Å; W510-F532 HydrophobicContact CH2-CB 4.05Å; W510-F532 HydrophobicContact CH2-CD1 4.39Å; W510-F532 AromaticContact CH2-CD2 3.49Å; W510-F532 HydrophobicContact CH2-CD2 3.49Å; W510-F532 VanDerWaalsContact CH2-CD2 3.49Å; W510-F532 AromaticContact CH2-CE2 3.98Å; W510-F532 HydrophobicContact CH2-CE2 3.98Å; W510-F532 AromaticContact CH2-CG 3.71Å; W510-F532 HydrophobicContact CH2-CG 3.71Å; W510-F532 HydrophobicContact CZ2-CD2 4.29Å; W510-F532 HydrophobicContact CZ2-CE2 4.45Å; W510-F532 HydrophobicContact CZ3-CB 4.07Å; W510-F532 HydrophobicContact CZ3-CD2 4.33Å; W510-F532 HydrophobicContact CZ3-CG 4.23Å; W510-F556 WeakPolarHBondContact O-CD2 3.46Å
511	S	96.4	Very high	95.6	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.112	C	C	.	.			trans	-67.4	135.6	165.9	176.8	0	0	0	0	110.6	H513 V514 L517	S511-H513 PolarHBondContact O-N 3.26Å; S511-H513 PolarHBondContact OG-N 3.42Å; S511-V514 WeakPolarHBondContact CB-O 3.42Å; S511-V514 PolarHBondContact OG-N 3.42Å; S511-L517 WeakPolarHBondContact CB-O 3.43Å; S511-L517 PolarHBondContact N-O 3.07Å
512	N	94.3	Very high	95.7	Very high	32 Å²	32	18.6 Å²	18.6	17%	0.171	11%	0.11	C	C	.	.	S	Bend	trans	-76.2	-13	176.2	-50.9	-73.7	0	0	0	112.5	F556 N557 K558	N512-F556 PolarHBondContact ND2-O 2.7Å; N512-N557 PolarHBondContact ND2-O 3.35Å; N512-K558 PolarHBondContact OD1-NZ 3.4Å
513	H	93.4	Very high	95.9	Very high	37 Å²	37	13.3 Å²	13.3	17%	0.171	9%	0.086	C	C	.	.	S	Bend	trans	-116.3	-17.3	-174	-56.4	-80	0	0	0	113.1	Q78 L462 S511 N557 K558 L559 P561	Q78-H513 PolarHBondContact NE2-O 3.35Å; L462-H513 WeakPolarHBondContact CD1-O 3.32Å; S511-H513 PolarHBondContact O-N 3.26Å; S511-H513 PolarHBondContact OG-N 3.42Å; H513-N557 PolarHBondContact NE2-O 2.83Å; H513-K558 PolarHBondContact CE1-O 2.81Å; H513-K558 VanDerWaalsContact CE1-O 3.24Å; H513-K558 PolarHBondContact NE2-O 2.8Å; H513-L559 VanDerWaalsContact CE1-C 3.43Å; H513-L559 PolarHBondContact CE1-O 3.42Å; H513-P561 HydrophobicContact CB-CB 3.7Å; H513-P561 WeakPolarHBondContact CD2-CA 3.08Å
514	V	93.5	Very high	96.1	Very high	8 Å²	8	12.7 Å²	12.7	5%	0.048	7%	0.074	C	C	.	.			trans	-133.5	108.9	-174.5	176.4	0	0	0	0	110.2	F74 S511 Q516 L517	F74-V514 HydrophobicContact CB-CG1 4.05Å; F74-V514 HydrophobicContact CB-CG2 4.22Å; F74-V514 HydrophobicContact CD1-CB 4.41Å; F74-V514 HydrophobicContact CD1-CG1 3.05Å; F74-V514 HydrophobicContact CE1-CG1 3.42Å; F74-V514 VanDerWaalsContact CE1-CG1 3.42Å; F74-V514 HydrophobicContact CG-CG1 3.87Å; S511-V514 WeakPolarHBondContact CB-O 3.42Å; S511-V514 PolarHBondContact OG-N 3.42Å; V514-Q516 PolarHBondContact O-N 2.93Å; V514-Q516 VanDerWaalsContact O-N 3.09Å; V514-L517 HydrophobicContact CB-CB 3.9Å; V514-L517 HydrophobicContact CB-CD2 4.5Å; V514-L517 HydrophobicContact CG1-CB 3.54Å; V514-L517 PolarHBondContact O-N 2.83Å
515	A	93.9	Very high	96.1	Very high	16 Å²	16	17.2 Å²	17.2	13%	0.132	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22	-169.7	0	0	0	0	0	114.7	N460 L462 R463 W510	N460-A515 PolarHBondContact ND2-O 3.24Å; L462-A515 HydrophobicContact CB-CB 3.78Å; L462-A515 HydrophobicContact CD1-CB 4.1Å; R463-A515 HydrophobicContact CG-CB 3.97Å; W510-A515 VanDerWaalsContact CZ3-O 3.22Å; W510-A515 WeakPolarHBondContact CZ3-O 3.23Å
516	Q	93.6	Very high	96.1	Very high	34 Å²	34	20.3 Å²	20.3	16%	0.159	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	9.6	-177.3	73	-63.5	-4.6	0	0	113.6	F74 V514 D531 F532	F74-Q516 HydrophobicContact CD1-CG 4.18Å; F74-Q516 HydrophobicContact CE1-CB 4.34Å; F74-Q516 HydrophobicContact CE1-CG 3.28Å; F74-Q516 HydrophobicContact CZ-CG 3.96Å; V514-Q516 PolarHBondContact O-N 2.93Å; V514-Q516 VanDerWaalsContact O-N 3.09Å; Q516-D531 CarbonylContact O-C 3.54Å; Q516-F532 HydrophobicContact CB-CB 4.15Å; Q516-F532 WeakPolarHBondContact O-CB 3.46Å; Q516-F532 PolarHBondContact O-N 3.47Å
517	L	95.3	Very high	96.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.7	175.2	-179.9	67.4	0	0	0	110.2	F74 S511 V514 L529 W530 F556 I578	F74-L517 HydrophobicContact CE1-CB 4.14Å; F74-L517 HydrophobicContact CZ-CB 4.44Å; S511-L517 WeakPolarHBondContact CB-O 3.43Å; S511-L517 PolarHBondContact N-O 3.07Å; V514-L517 HydrophobicContact CB-CB 3.9Å; V514-L517 HydrophobicContact CB-CD2 4.5Å; V514-L517 HydrophobicContact CG1-CB 3.54Å; V514-L517 PolarHBondContact O-N 2.83Å; L517-L529 HydrophobicContact CD1-CB 4.42Å; L517-W530 WeakPolarHBondContact CA-O 3.37Å; L517-F556 HydrophobicContact CD2-CE1 4.06Å; L517-F556 HydrophobicContact CD2-CZ 4.18Å; L517-F556 HydrophobicContact CG-CZ 4.15Å; L517-I578 HydrophobicContact CD2-CD1 4.21Å
518	F	97.3	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.1	169.1	66.9	-86.8	0	0	0	111.1	L468 V476 F498 V508 A509 W510 T520 W530 F532	L468-F518 HydrophobicContact CD1-CB 3.81Å; L468-F518 HydrophobicContact CD1-CD1 3.97Å; L468-F518 HydrophobicContact CD1-CD2 3.72Å; L468-F518 HydrophobicContact CD1-CE1 4.45Å; L468-F518 HydrophobicContact CD1-CE2 4.22Å; L468-F518 HydrophobicContact CD1-CG 3.56Å; V476-F518 HydrophobicContact CG1-CE2 4.49Å; F498-F518 AromaticContact CD1-CZ 3.92Å; F498-F518 HydrophobicContact CD1-CZ 3.92Å; F498-F518 HydrophobicContact CD2-CZ 4.04Å; F498-F518 HydrophobicContact CE1-CE1 4.22Å; F498-F518 AromaticContact CE1-CZ 3.96Å; F498-F518 HydrophobicContact CE1-CZ 3.96Å; F498-F518 HydrophobicContact CE2-CE1 4.43Å; F498-F518 HydrophobicContact CE2-CZ 4.09Å; F498-F518 AromaticContact CG-CZ 3.96Å; F498-F518 HydrophobicContact CG-CZ 3.96Å; F498-F518 HydrophobicContact CZ-CE1 4.12Å; F498-F518 HydrophobicContact CZ-CZ 4.05Å; V508-F518 HydrophobicContact CG2-CD2 4.17Å; A509-F518 CarbonylContact O-C 3.56Å; A509-F518 VanDerWaalsContact O-CA 3.27Å; A509-F518 WeakPolarHBondContact O-CA 3.47Å; A509-F518 WeakPolarHBondContact O-CB 3.26Å; W510-F518 HydrophobicContact CD2-CB 4.16Å; W510-F518 HydrophobicContact CE3-CB 3.84Å; W510-F518 HydrophobicContact CE3-CD1 4.4Å; W510-F518 HydrophobicContact CH2-CD1 4.26Å; W510-F518 HydrophobicContact CZ3-CB 4.27Å; W510-F518 AromaticContact CZ3-CD1 3.96Å; W510-F518 HydrophobicContact CZ3-CD1 3.96Å; F518-T520 HydrophobicContact CD2-CG2 3.94Å; F518-T520 HydrophobicContact CE2-CG2 3.91Å; F518-W530 HydrophobicContact CD1-CB 3.76Å; F518-W530 HydrophobicContact CD2-CB 3.83Å; F518-W530 AromaticContact CD2-CD1 3.88Å; F518-W530 HydrophobicContact CD2-CG 4.03Å; F518-W530 HydrophobicContact CE1-CB 3.33Å; F518-W530 HydrophobicContact CE1-CG 4.17Å; F518-W530 HydrophobicContact CE2-CB 3.41Å; F518-W530 VanDerWaalsContact CE2-CB 3.41Å; F518-W530 AromaticContact CE2-CD1 3.46Å; F518-W530 VanDerWaalsContact CE2-CD1 3.46Å; F518-W530 HydrophobicContact CE2-CD2 4.14Å; F518-W530 AromaticContact CE2-CG 3.37Å; F518-W530 HydrophobicContact CE2-CG 3.37Å; F518-W530 HydrophobicContact CG-CB 4Å; F518-W530 HydrophobicContact CZ-CB 3.15Å; F518-W530 HydrophobicContact CZ-CD2 4.06Å; F518-W530 AromaticContact CZ-CG 3.46Å; F518-W530 HydrophobicContact CZ-CG 3.46Å; F518-W530 VanDerWaalsContact CZ-CG 3.46Å; F518-W530 PolarHBondContact N-O 3.1Å; F518-W530 VanDerWaalsContact N-O 3.14Å; F518-W530 PolarHBondContact O-N 3.4Å; F518-F532 HydrophobicContact CD1-CB 4.19Å; F518-F532 HydrophobicContact CE1-CB 4.04Å; F518-F532 HydrophobicContact CE1-CD2 4.09Å
519	A	97.7	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.3	179.9	0	0	0	0	0	110.3	V508 A509 L527 C528 L529 V554 F556 L564	V508-A519 WeakPolarHBondContact CA-O 3.39Å; A509-A519 PolarHBondContact N-O 2.91Å; A509-A519 PolarHBondContact O-N 2.98Å; A519-L527 HydrophobicContact CB-CD1 4.17Å; A519-C528 CarbonylContact C-O 3.57Å; A519-C528 VanDerWaalsContact CA-O 3.31Å; A519-C528 WeakPolarHBondContact CA-O 3.42Å; A519-L529 HydrophobicContact CB-CD2 3.72Å; A519-V554 HydrophobicContact CB-CG2 3.91Å; A519-F556 HydrophobicContact CB-CD2 4.47Å; A519-F556 HydrophobicContact CB-CE2 3.47Å; A519-F556 VanDerWaalsContact CB-CE2 3.47Å; A519-F556 HydrophobicContact CB-CZ 3.72Å; A519-L564 HydrophobicContact CB-CD1 4.02Å
520	T	97.9	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.7	175.9	65.3	0	0	0	0	110.2	V476 C500 H501 D507 V508 F518 C528 W530	V476-T520 HydrophobicContact CG2-CG2 3.67Å; C500-T520 HydrophobicContact CB-CG2 4.48Å; H501-T520 WeakPolarHBondContact NE2-CB 3.47Å; H501-T520 PolarHBondContact NE2-O 3.05Å; H501-T520 PolarHBondContact NE2-OG1 2.97Å; D507-T520 WeakPolarHBondContact O-CA 3.33Å; V508-T520 HydrophobicContact CB-CG2 4.36Å; V508-T520 HydrophobicContact CG2-CG2 4.02Å; F518-T520 HydrophobicContact CD2-CG2 3.94Å; F518-T520 HydrophobicContact CE2-CG2 3.91Å; T520-C528 PolarHBondContact N-O 3.13Å; T520-C528 PolarHBondContact O-N 3.13Å; T520-C528 WeakPolarHBondContact OG1-CB 3.41Å; T520-W530 PolarHBondContact OG1-NE1 2.97Å
521	V	97.7	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.5	172.2	-69.7	0	0	0	0	110.2	H501 A505 N506 D507 K526 L527 A551 V554 T566	H501-V521 PolarHBondContact NE2-N 2.81Å; A505-V521 CarbonylContact C-O 3.55Å; N506-V521 PolarHBondContact N-O 2.8Å; D507-V521 HydrophobicContact CB-CG2 3.78Å; D507-V521 PolarHBondContact N-O 3.25Å; D507-V521 PolarHBondContact O-N 2.85Å; D507-V521 VanDerWaalsContact O-N 3.16Å; V521-K526 WeakPolarHBondContact CA-O 3.33Å; V521-L527 HydrophobicContact CG1-CB 4.32Å; V521-L527 HydrophobicContact CG1-CD1 3.84Å; V521-A551 HydrophobicContact CB-CB 3.76Å; V521-A551 HydrophobicContact CG1-CB 4.11Å; V521-A551 HydrophobicContact CG2-CB 4.5Å; V521-V554 HydrophobicContact CG1-CB 3.82Å; V521-V554 HydrophobicContact CG1-CG1 4.33Å; V521-V554 HydrophobicContact CG1-CG2 4.31Å; V521-V554 HydrophobicContact CG2-CB 3.91Å; V521-V554 HydrophobicContact CG2-CG1 3.9Å; V521-T566 HydrophobicContact CG1-CG2 3.91Å
522	G	96.8	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-179.1	-177.8	0	0	0	0	0	114.8	S504 D524 R525 A551	S504-G522 CarbonylContact O-C 3.49Å; S504-G522 WeakPolarHBondContact O-CA 3.49Å; G522-D524 PolarHBondContact O-N 2.64Å; G522-R525 PolarHBondContact O-N 3.33Å; G522-R525 VanDerWaalsContact O-N 3.08Å; G522-A551 PolarHBondContact O-N 3.17Å
523	S	96	Very high	95.5	Very high	36 Å²	36	20.4 Å²	20.4	25%	0.252	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.4	177.8	-67.3	0	0	0	0	113.9	S504 R525 D550	S504-S523 PolarHBondContact O-N 2.85Å; S523-R525 PolarHBondContact O-N 3.36Å; S523-D550 WeakPolarHBondContact CA-OD2 3.39Å; S523-D550 WeakPolarHBondContact CB-OD2 3.4Å; S523-D550 PolarHBondContact OG-OD2 3.27Å
524	D	95.5	Very high	95.3	Very high	26 Å²	26	21.1 Å²	21.1	14%	0.139	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	4	170.4	63.5	1.6	0	0	0	113.4	H501 I502 G522 K526	H501-D524 VanDerWaalsContact CA-OD2 3.26Å; H501-D524 WeakPolarHBondContact CA-OD2 3.44Å; H501-D524 WeakPolarHBondContact CB-OD2 3.11Å; H501-D524 IonicContact CE1-OD1 3.08Å; H501-D524 IonicContact CG-OD1 3.21Å; H501-D524 IonicContact CG-OD2 3.01Å; H501-D524 IonicContact ND1-OD1 2.97Å; H501-D524 PolarHBondContact ND1-OD1 3.41Å; H501-D524 IonicContact ND1-OD2 3.89Å; H501-D524 PolarHBondContact ND1-OD2 2.82Å; I502-D524 HydrophobicContact CB-CB 4.38Å; I502-D524 PolarHBondContact N-OD2 2.91Å; I502-D524 VanDerWaalsContact N-OD2 3.07Å; I502-D524 WeakPolarHBondContact O-CB 3.44Å; G522-D524 PolarHBondContact O-N 2.64Å; D524-K526 PolarHBondContact O-N 2.83Å; D524-K526 WeakPolarHBondContact OD1-CB 3.28Å; D524-K526 PolarHBondContact OD1-N 2.91Å; D524-K526 VanDerWaalsContact OD1-N 3.12Å
525	R	96.2	Very high	95	Very high	119 Å²	119	26.4 Å²	26.4	45%	0.449	14%	0.139	S	C	.	.			trans	67.6	15.1	178.1	-42.2	171.7	-75.2	-173.1	-1.8	113.4	G522 S523 C546 H547 D548 K549	G522-R525 PolarHBondContact O-N 3.33Å; G522-R525 VanDerWaalsContact O-N 3.08Å; S523-R525 PolarHBondContact O-N 3.36Å; R525-C546 PolarHBondContact O-N 3.33Å; R525-C546 PolarHBondContact O-SG 2.96Å; R525-H547 WeakPolarHBondContact CB-O 3.19Å; R525-D548 WeakPolarHBondContact CD-O 3.38Å; R525-K549 WeakPolarHBondContact CG-O 3.31Å
526	K	96	Very high	94.8	Very high	66 Å²	66	28.7 Å²	28.7	29%	0.287	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.8	-178.3	-66.8	-178.8	173.3	-171.8	0	111.8	H501 V521 D524 V544 V545 C546	H501-K526 PolarHBondContact CE1-O 3.01Å; H501-K526 VanDerWaalsContact CE1-O 3.25Å; V521-K526 WeakPolarHBondContact CA-O 3.33Å; D524-K526 PolarHBondContact O-N 2.83Å; D524-K526 WeakPolarHBondContact OD1-CB 3.28Å; D524-K526 PolarHBondContact OD1-N 2.91Å; D524-K526 VanDerWaalsContact OD1-N 3.12Å; K526-V544 CarbonylContact C-O 3.55Å; K526-V544 VanDerWaalsContact CA-O 3.27Å; K526-V544 WeakPolarHBondContact CA-O 3.26Å; K526-V545 HydrophobicContact CG-CG2 4.43Å; K526-C546 VanDerWaalsContact C-SG 3.59Å
527	L	97.1	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.8	161.7	167.8	62	0	0	0	107.6	A519 V521 V544 C546 V554 L564 T566 W576 M581	A519-L527 HydrophobicContact CB-CD1 4.17Å; V521-L527 HydrophobicContact CG1-CB 4.32Å; V521-L527 HydrophobicContact CG1-CD1 3.84Å; L527-V544 HydrophobicContact CB-CG2 4.11Å; L527-V544 HydrophobicContact CD2-CG2 4.4Å; L527-V544 HydrophobicContact CG-CG2 4.45Å; L527-V544 PolarHBondContact N-O 3.07Å; L527-V544 PolarHBondContact O-N 3.33Å; L527-C546 HydrophobicContact CB-CB 3.61Å; L527-V554 HydrophobicContact CD1-CG2 4.1Å; L527-L564 HydrophobicContact CD1-CD2 3.71Å; L527-L564 HydrophobicContact CD2-CD2 3.48Å; L527-L564 VanDerWaalsContact CD2-CD2 3.48Å; L527-L564 HydrophobicContact CG-CD2 4.17Å; L527-T566 HydrophobicContact CD1-CG2 4.03Å; L527-T566 HydrophobicContact CD2-CG2 3.9Å; L527-T566 HydrophobicContact CG-CG2 4.37Å; L527-W576 HydrophobicContact CD2-CD2 4Å; L527-W576 HydrophobicContact CD2-CG 3.98Å; L527-M581 HydrophobicContact CD2-CE 3.41Å; L527-M581 VanDerWaalsContact CD2-CE 3.41Å; L527-M581 HydrophobicContact CG-CE 3.98Å
528	C	96.1	Very high	94.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.7	179.7	-65.2	0	0	0	0	110.1	A519 T520 W530 P540 V542	A519-C528 CarbonylContact C-O 3.57Å; A519-C528 VanDerWaalsContact CA-O 3.31Å; A519-C528 WeakPolarHBondContact CA-O 3.42Å; T520-C528 PolarHBondContact N-O 3.13Å; T520-C528 PolarHBondContact O-N 3.13Å; T520-C528 WeakPolarHBondContact OG1-CB 3.41Å; C528-W530 HydrophobicContact CB-CZ2 4.3Å; C528-P540 HydrophobicContact CB-CB 3.91Å; C528-P540 HydrophobicContact CB-CG 4.25Å; C528-V542 CarbonylContact C-O 3.58Å; C528-V542 VanDerWaalsContact CA-O 3.28Å; C528-V542 WeakPolarHBondContact CA-O 3.22Å
529	L	96.3	Very high	94	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.4	170.1	-63	179.3	0	0	0	109.9	L517 A519 P540 A541 V542 F556 I578 M581	L517-L529 HydrophobicContact CD1-CB 4.42Å; A519-L529 HydrophobicContact CB-CD2 3.72Å; L529-P540 WeakPolarHBondContact O-CB 3.33Å; L529-A541 PolarHBondContact O-N 3.13Å; L529-V542 HydrophobicContact CB-CB 4.16Å; L529-V542 HydrophobicContact CD1-CB 4.42Å; L529-V542 PolarHBondContact N-O 3.32Å; L529-V542 PolarHBondContact O-N 3.26Å; L529-F556 HydrophobicContact CD2-CZ 4.12Å; L529-I578 HydrophobicContact CD1-CB 4.27Å; L529-I578 HydrophobicContact CD1-CG2 4.16Å; L529-M581 HydrophobicContact CD1-CE 3.75Å; L529-M581 HydrophobicContact CD1-CG 3.92Å; L529-M581 HydrophobicContact CD1-SD 3.9Å; L529-M581 HydrophobicContact CG-CE 4Å
530	W	95.8	Very high	93.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.5	-173.8	-63.4	84.9	0	0	0	111.2	F498 K499 C500 L517 F518 T520 C528 K539 P540	F498-W530 HydrophobicContact CB-CZ3 4.47Å; F498-W530 AromaticContact CD1-CE3 3.9Å; F498-W530 HydrophobicContact CD1-CE3 3.9Å; F498-W530 HydrophobicContact CD1-CZ3 4.23Å; K499-W530 WeakPolarHBondContact O-CH2 3.44Å; C500-W530 VanDerWaalsContact CA-CZ2 3.49Å; C500-W530 HydrophobicContact CB-CZ2 3.69Å; C500-W530 VanDerWaalsContact SG-CE2 3.57Å; C500-W530 WeakPolarHBondContact SG-CZ2 3.41Å; L517-W530 WeakPolarHBondContact CA-O 3.37Å; F518-W530 HydrophobicContact CD1-CB 3.76Å; F518-W530 HydrophobicContact CD2-CB 3.83Å; F518-W530 AromaticContact CD2-CD1 3.88Å; F518-W530 HydrophobicContact CD2-CG 4.03Å; F518-W530 HydrophobicContact CE1-CB 3.33Å; F518-W530 HydrophobicContact CE1-CG 4.17Å; F518-W530 HydrophobicContact CE2-CB 3.41Å; F518-W530 VanDerWaalsContact CE2-CB 3.41Å; F518-W530 AromaticContact CE2-CD1 3.46Å; F518-W530 VanDerWaalsContact CE2-CD1 3.46Å; F518-W530 HydrophobicContact CE2-CD2 4.14Å; F518-W530 AromaticContact CE2-CG 3.37Å; F518-W530 HydrophobicContact CE2-CG 3.37Å; F518-W530 HydrophobicContact CG-CB 4Å; F518-W530 HydrophobicContact CZ-CB 3.15Å; F518-W530 HydrophobicContact CZ-CD2 4.06Å; F518-W530 AromaticContact CZ-CG 3.46Å; F518-W530 HydrophobicContact CZ-CG 3.46Å; F518-W530 VanDerWaalsContact CZ-CG 3.46Å; F518-W530 PolarHBondContact N-O 3.1Å; F518-W530 VanDerWaalsContact N-O 3.14Å; F518-W530 PolarHBondContact O-N 3.4Å; T520-W530 PolarHBondContact OG1-NE1 2.97Å; C528-W530 HydrophobicContact CB-CZ2 4.3Å; W530-K539 VanDerWaalsContact CZ3-C 3.41Å; W530-K539 WeakPolarHBondContact CZ3-O 3.34Å; W530-P540 HydrophobicContact CD2-CB 3.97Å; W530-P540 HydrophobicContact CE3-CB 4.26Å; W530-P540 HydrophobicContact CH2-CB 3.96Å; W530-P540 HydrophobicContact CH2-CG 4.26Å; W530-P540 HydrophobicContact CZ2-CB 3.6Å; W530-P540 HydrophobicContact CZ2-CG 4.04Å; W530-P540 HydrophobicContact CZ3-CB 4.29Å
531	D	93.6	Very high	93.5	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110	162	-175.7	-14.7	0	0	0	108.5	R73 F74 Q516 N533 N534	R73-D531 IonicContact CZ-OD2 3.38Å; R73-D531 IonicContact NE-OD2 3.74Å; R73-D531 IonicContact NH1-OD1 3.88Å; R73-D531 IonicContact NH1-OD2 2.71Å; R73-D531 PolarHBondContact NH1-OD2 2.72Å; F74-D531 HydrophobicContact CE2-CB 4.27Å; F74-D531 HydrophobicContact CZ-CB 3.9Å; F74-D531 VanDerWaalsContact CZ-CG 3.47Å; Q516-D531 CarbonylContact O-C 3.54Å; D531-N533 PolarHBondContact O-N 2.89Å; D531-N533 VanDerWaalsContact O-N 3.14Å; D531-N533 PolarHBondContact OD1-N 3.48Å; D531-N534 HydrophobicContact CB-CB 4.24Å; D531-N534 VanDerWaalsContact O-CB 3.29Å; D531-N534 WeakPolarHBondContact O-CB 3.45Å; D531-N534 PolarHBondContact O-N 3.44Å
532	F	93.6	Very high	93.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.2	179.8	-178.5	-98.9	0	0	0	113	H478 R496 F498 W510 Q516 F518	H478-F532 HydrophobicContact CB-CE2 4.25Å; H478-F532 AromaticContact CD2-CE2 3.81Å; H478-F532 AromaticContact CE1-CZ 3.58Å; H478-F532 AromaticContact CG-CE2 3.61Å; H478-F532 AromaticContact CG-CZ 3.88Å; H478-F532 AromaticContact ND1-CE2 3.78Å; H478-F532 AromaticContact ND1-CZ 3.57Å; H478-F532 AromaticContact NE2-CZ 3.84Å; R496-F532 PolarHBondContact NH1-O 2.85Å; F498-F532 HydrophobicContact CE2-CD2 4.14Å; F498-F532 HydrophobicContact CE2-CE2 4.13Å; F498-F532 AromaticContact CZ-CD2 3.68Å; F498-F532 HydrophobicContact CZ-CD2 3.68Å; F498-F532 AromaticContact CZ-CE2 3.96Å; F498-F532 HydrophobicContact CZ-CE2 3.96Å; W510-F532 HydrophobicContact CH2-CB 4.05Å; W510-F532 HydrophobicContact CH2-CD1 4.39Å; W510-F532 AromaticContact CH2-CD2 3.49Å; W510-F532 HydrophobicContact CH2-CD2 3.49Å; W510-F532 VanDerWaalsContact CH2-CD2 3.49Å; W510-F532 AromaticContact CH2-CE2 3.98Å; W510-F532 HydrophobicContact CH2-CE2 3.98Å; W510-F532 AromaticContact CH2-CG 3.71Å; W510-F532 HydrophobicContact CH2-CG 3.71Å; W510-F532 HydrophobicContact CZ2-CD2 4.29Å; W510-F532 HydrophobicContact CZ2-CE2 4.45Å; W510-F532 HydrophobicContact CZ3-CB 4.07Å; W510-F532 HydrophobicContact CZ3-CD2 4.33Å; W510-F532 HydrophobicContact CZ3-CG 4.23Å; Q516-F532 HydrophobicContact CB-CB 4.15Å; Q516-F532 WeakPolarHBondContact O-CB 3.46Å; Q516-F532 PolarHBondContact O-N 3.47Å; F518-F532 HydrophobicContact CD1-CB 4.19Å; F518-F532 HydrophobicContact CE1-CB 4.04Å; F518-F532 HydrophobicContact CE1-CD2 4.09Å
533	N	92.2	Very high	93.1	Very high	58 Å²	58	46 Å²	46	31%	0.31	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.9	179.4	-69.8	-19.8	0	0	0	113.1	D531	D531-N533 PolarHBondContact O-N 2.89Å; D531-N533 VanDerWaalsContact O-N 3.14Å; D531-N533 PolarHBondContact OD1-N 3.48Å
534	N	89.6	Confident	93.1	Very high	52 Å²	52	45.4 Å²	45.4	28%	0.278	24%	0.237	S	C	.	.			trans	-65.5	126.1	173.6	-170.4	-8.6	0	0	0	109.6	D531 D536	D531-N534 HydrophobicContact CB-CB 4.24Å; D531-N534 VanDerWaalsContact O-CB 3.29Å; D531-N534 WeakPolarHBondContact O-CB 3.45Å; D531-N534 PolarHBondContact O-N 3.44Å; N534-D536 VanDerWaalsContact C-N 3.26Å; N534-D536 PolarHBondContact O-N 2.8Å; N534-D536 PolarHBondContact OD1-N 3.34Å; N534-D536 VanDerWaalsContact OD1-N 3.11Å
535	P	87.3	Confident	93.1	Very high	118 Å²	118	48.4 Å²	48.4	77%	0.766	26%	0.257	S	S	*	.	S	Bend	trans	-62.4	-33.2	176	24.4	-35.3	0	0	0	112.6	R537	P535-R537 PolarHBondContact O-N 3.28Å
536	D	90.2	Very high	93	Very high	65 Å²	65	42.8 Å²	42.8	35%	0.348	24%	0.235	S	C	.	.			trans	-81	105.2	175	-172.9	-1.5	0	0	0	110.4	N534 S538	N534-D536 VanDerWaalsContact C-N 3.26Å; N534-D536 PolarHBondContact O-N 2.8Å; N534-D536 PolarHBondContact OD1-N 3.34Å; N534-D536 VanDerWaalsContact OD1-N 3.11Å; D536-S538 VanDerWaalsContact C-N 3.34Å; D536-S538 WeakPolarHBondContact OD1-CB 3.48Å; D536-S538 PolarHBondContact OD1-N 3.04Å; D536-S538 PolarHBondContact OD1-OG 3.07Å
537	R	89.1	Confident	92.9	Very high	92 Å²	92	39.7 Å²	39.7	35%	0.347	22%	0.222	S	C	.	.			trans	-92.5	3.7	179.9	-54.3	175.5	-164.9	159.3	2.9	113	F498 K499 P535	F498-R537 HydrophobicContact CD1-CB 3.74Å; F498-R537 HydrophobicContact CD1-CG 4.04Å; F498-R537 HydrophobicContact CE1-CB 4.07Å; F498-R537 HydrophobicContact CE1-CG 3.82Å; F498-R537 HydrophobicContact CG-CB 4.45Å; K499-R537 PolarHBondContact N-O 3.01Å; P535-R537 PolarHBondContact O-N 3.28Å
538	S	89.6	Confident	92.8	Very high	72 Å²	72	45.8 Å²	45.8	50%	0.503	26%	0.255	S	S	.	.	S	Bend	trans	-93.6	-16.7	178.6	74.3	0	0	0	0	112.9	D536	D536-S538 VanDerWaalsContact C-N 3.34Å; D536-S538 WeakPolarHBondContact OD1-CB 3.48Å; D536-S538 PolarHBondContact OD1-N 3.04Å; D536-S538 PolarHBondContact OD1-OG 3.07Å
539	K	89.8	Confident	92.8	Very high	137 Å²	137	51.4 Å²	51.4	60%	0.596	28%	0.279	S	S	*	.	S	Bend	trans	-123.6	124.7	-177.7	-67.4	-177.7	-178.9	-178.5	0	111.1	W530	W530-K539 VanDerWaalsContact CZ3-C 3.41Å; W530-K539 WeakPolarHBondContact CZ3-O 3.34Å
540	P	93.1	Very high	92.8	Very high	39 Å²	39	54.4 Å²	54.4	25%	0.253	30%	0.295	S	S	.	.			trans	-66.6	159.3	170.5	27.8	-31.5	0	0	0	110.3	C528 L529 W530 V542	C528-P540 HydrophobicContact CB-CB 3.91Å; C528-P540 HydrophobicContact CB-CG 4.25Å; L529-P540 WeakPolarHBondContact O-CB 3.33Å; W530-P540 HydrophobicContact CD2-CB 3.97Å; W530-P540 HydrophobicContact CE3-CB 4.26Å; W530-P540 HydrophobicContact CH2-CB 3.96Å; W530-P540 HydrophobicContact CH2-CG 4.26Å; W530-P540 HydrophobicContact CZ2-CB 3.6Å; W530-P540 HydrophobicContact CZ2-CG 4.04Å; W530-P540 HydrophobicContact CZ3-CB 4.29Å; P540-V542 VanDerWaalsContact C-N 3.34Å; P540-V542 WeakPolarHBondContact CB-O 3.47Å
541	A	91.8	Very high	92.8	Very high	18 Å²	18	54.2 Å²	54.2	15%	0.149	29%	0.294	C	S	.	.	S	Bend	trans	-73.1	-31.7	173	0	0	0	0	0	111.2	A66 I70 L529	A66-A541 WeakPolarHBondContact CB-O 3.5Å; I70-A541 HydrophobicContact CD1-CB 3.69Å; I70-A541 HydrophobicContact CG1-CB 4.18Å; L529-A541 PolarHBondContact O-N 3.13Å
542	V	92.8	Very high	93	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.9	170.7	178	0	0	0	0	108.6	I67 I70 C528 L529 P540 V544 M581	I67-V542 HydrophobicContact CD1-CG2 4.43Å; I67-V542 HydrophobicContact CG1-CG2 3.55Å; I70-V542 HydrophobicContact CD1-CG2 3.62Å; C528-V542 CarbonylContact C-O 3.58Å; C528-V542 VanDerWaalsContact CA-O 3.28Å; C528-V542 WeakPolarHBondContact CA-O 3.22Å; L529-V542 HydrophobicContact CB-CB 4.16Å; L529-V542 HydrophobicContact CD1-CB 4.42Å; L529-V542 PolarHBondContact N-O 3.32Å; L529-V542 PolarHBondContact O-N 3.26Å; P540-V542 VanDerWaalsContact C-N 3.34Å; P540-V542 WeakPolarHBondContact CB-O 3.47Å; V542-V544 HydrophobicContact CG1-CG1 3.9Å; V542-M581 HydrophobicContact CG1-CB 3.8Å; V542-M581 HydrophobicContact CG1-CG 4.15Å
543	S	93.9	Very high	93.1	Very high	34 Å²	34	54.6 Å²	54.6	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	115.7	173.6	150.9	0	0	0	0	108.8
544	V	95.3	Very high	93.4	Very high	22 Å²	22	52 Å²	52	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.2	-179.9	-64.9	0	0	0	0	110.7	K526 L527 V542 C546 W576 M581	K526-V544 CarbonylContact C-O 3.55Å; K526-V544 VanDerWaalsContact CA-O 3.27Å; K526-V544 WeakPolarHBondContact CA-O 3.26Å; L527-V544 HydrophobicContact CB-CG2 4.11Å; L527-V544 HydrophobicContact CD2-CG2 4.4Å; L527-V544 HydrophobicContact CG-CG2 4.45Å; L527-V544 PolarHBondContact N-O 3.07Å; L527-V544 PolarHBondContact O-N 3.33Å; V542-V544 HydrophobicContact CG1-CG1 3.9Å; V544-C546 PolarHBondContact O-N 3.06Å; V544-W576 HydrophobicContact CG2-CH2 4.41Å; V544-W576 HydrophobicContact CG2-CZ3 4.23Å; V544-M581 HydrophobicContact CG1-CB 4.28Å; V544-M581 WeakPolarHBondContact CG1-O 3.06Å; V544-M581 HydrophobicContact CG2-CE 3.98Å
545	V	95.4	Very high	93.8	Very high	90 Å²	90	50.1 Å²	50.1	55%	0.545	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	112.4	169.9	-179.3	0	0	0	0	107.2	K526	K526-V545 HydrophobicContact CG-CG2 4.43Å
546	C	93.4	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.			trans	-96.2	-24.4	-169.7	62.7	0	0	0	0	113.4	R525 K526 L527 V544 W576 K584	R525-C546 PolarHBondContact O-N 3.33Å; R525-C546 PolarHBondContact O-SG 2.96Å; K526-C546 VanDerWaalsContact C-SG 3.59Å; L527-C546 HydrophobicContact CB-CB 3.61Å; V544-C546 PolarHBondContact O-N 3.06Å; C546-W576 HydrophobicContact CB-CH2 4.01Å; C546-W576 HydrophobicContact CB-CZ2 3.41Å; C546-W576 VanDerWaalsContact CB-CZ2 3.41Å; C546-K584 WeakPolarHBondContact O-CE 3.4Å; C546-K584 PolarHBondContact O-NZ 3.16Å
547	H	95.2	Very high	94.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.222	C	C	.	.			trans	-150.4	163.9	-171.9	-77.7	-74.9	0	0	0	111.4	R525 K549 T566 S568 D570 T572	R525-H547 WeakPolarHBondContact CB-O 3.19Å; H547-K549 WeakPolarHBondContact CB-O 3.17Å; H547-T566 PolarHBondContact NE2-OG1 3.39Å; H547-S568 WeakPolarHBondContact CB-OG 3.44Å; H547-S568 VanDerWaalsContact ND1-CB 3.28Å; H547-S568 WeakPolarHBondContact ND1-CB 3.35Å; H547-D570 WeakPolarHBondContact CB-OD2 3.44Å; H547-D570 IonicContact CG-OD2 3.26Å; H547-D570 IonicContact ND1-OD1 2.85Å; H547-D570 PolarHBondContact ND1-OD1 3Å; H547-D570 IonicContact ND1-OD2 3.91Å; H547-D570 PolarHBondContact ND1-OD2 3.19Å; H547-T572 PolarHBondContact CE1-OG1 2.99Å; H547-T572 PolarHBondContact ND1-OG1 3.31Å; H547-T572 VanDerWaalsContact ND1-OG1 3.1Å
548	D	94.5	Very high	94.8	Very high	129 Å²	129	41.4 Å²	41.4	69%	0.69	22%	0.224	S	C	*	.	S	Bend	trans	-84	-21.2	179.7	-66.6	-32.9	0	0	0	112.4	R525 D570	R525-D548 WeakPolarHBondContact CD-O 3.38Å; D548-D570 PolarHBondContact N-OD2 3.28Å
549	K	96.1	Very high	95	Very high	119 Å²	119	42 Å²	42	52%	0.517	22%	0.221	S	C	.	.	S	Bend	trans	-125.2	179.6	173.7	-63.2	-171.4	178.3	-179.9	0	111	R525 H547 A551 S568 D570	R525-K549 WeakPolarHBondContact CG-O 3.31Å; H547-K549 WeakPolarHBondContact CB-O 3.17Å; K549-A551 PolarHBondContact O-N 2.85Å; K549-S568 PolarHBondContact O-OG 3.04Å; K549-D570 HydrophobicContact CB-CB 4.05Å; K549-D570 HydrophobicContact CD-CB 4.46Å; K549-D570 HydrophobicContact CG-CB 4.15Å
550	D	95.9	Very high	95.1	Very high	63 Å²	63	37.2 Å²	37.2	34%	0.337	20%	0.202	S	C	.	.			trans	-47.1	125.9	180	-68.9	37.3	0	0	0	112.3	S523 S568 S569	S523-D550 WeakPolarHBondContact CA-OD2 3.39Å; S523-D550 WeakPolarHBondContact CB-OD2 3.4Å; S523-D550 PolarHBondContact OG-OD2 3.27Å; D550-S568 WeakPolarHBondContact O-CA 3.35Å; D550-S568 WeakPolarHBondContact O-CB 3.45Å; D550-S568 PolarHBondContact O-OG 2.78Å; D550-S568 VanDerWaalsContact O-OG 3.07Å; D550-S569 PolarHBondContact O-N 3Å
551	A	97.2	Very high	95.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.4	173.5	0	0	0	0	0	108.6	N506 V521 G522 K549	N506-A551 WeakPolarHBondContact CB-O 3.33Å; N506-A551 PolarHBondContact ND2-O 2.92Å; V521-A551 HydrophobicContact CB-CB 3.76Å; V521-A551 HydrophobicContact CG1-CB 4.11Å; V521-A551 HydrophobicContact CG2-CB 4.5Å; G522-A551 PolarHBondContact O-N 3.17Å; K549-A551 PolarHBondContact O-N 2.85Å
552	N	96.8	Very high	95.2	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.16	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-34.8	-168.2	-67.3	-33.2	0	0	0	113.2	G567 S569 V595	N552-G567 PolarHBondContact N-O 3.35Å; N552-S569 PolarHBondContact ND2-N 3.1Å; N552-S569 PolarHBondContact ND2-OG 3.39Å; N552-V595 WeakPolarHBondContact CB-O 3.39Å; N552-V595 PolarHBondContact ND2-O 2.59Å
553	C	96.8	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150	-172.8	57.1	0	0	0	0	112.3	D507 T566 G567 R597 I598	D507-C553 WeakPolarHBondContact OD2-CA 3.33Å; C553-T566 WeakPolarHBondContact O-CA 3.47Å; C553-G567 PolarHBondContact N-O 3.2Å; C553-G567 PolarHBondContact O-N 3.23Å; C553-R597 VanDerWaalsContact SG-C 3.52Å; C553-I598 HydrophobicContact CB-CG2 3.96Å; C553-I598 VanDerWaalsContact SG-CG2 3.54Å
554	V	97.7	Very high	95.4	Very high	5 Å²	5	35 Å²	35	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.6	179	62.7	0	0	0	0	110.5	D507 A509 A519 V521 L527 L564 A565 T566	D507-V554 HydrophobicContact CB-CG1 4.17Å; D507-V554 PolarHBondContact OD2-N 2.96Å; A509-V554 HydrophobicContact CB-CG1 4.13Å; A519-V554 HydrophobicContact CB-CG2 3.91Å; V521-V554 HydrophobicContact CG1-CB 3.82Å; V521-V554 HydrophobicContact CG1-CG1 4.33Å; V521-V554 HydrophobicContact CG1-CG2 4.31Å; V521-V554 HydrophobicContact CG2-CB 3.91Å; V521-V554 HydrophobicContact CG2-CG1 3.9Å; L527-V554 HydrophobicContact CD1-CG2 4.1Å; V554-L564 HydrophobicContact CG2-CD1 3.67Å; V554-L564 HydrophobicContact CG2-CD2 4.01Å; V554-L564 HydrophobicContact CG2-CG 4.01Å; V554-A565 WeakPolarHBondContact CA-O 3.26Å; V554-T566 HydrophobicContact CB-CG2 4.36Å; V554-T566 HydrophobicContact CG2-CG2 4.04Å
555	A	97.5	Very high	95.5	Very high	12 Å²	12	34 Å²	34	10%	0.099	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.5	176.7	0	0	0	0	0	111.7	A565 I598 W600	A555-A565 PolarHBondContact N-O 2.93Å; A555-A565 PolarHBondContact O-N 2.77Å; A555-I598 HydrophobicContact CB-CG2 3.88Å; A555-W600 PolarHBondContact O-NE1 3.04Å
556	F	97.2	Very high	95.6	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.2	165.1	-77.5	-84	0	0	0	110.2	A509 W510 N512 L517 A519 L529 L564 I578 W600	A509-F556 HydrophobicContact CB-CD2 4.06Å; A509-F556 WeakPolarHBondContact O-CE2 3.27Å; W510-F556 WeakPolarHBondContact O-CD2 3.46Å; N512-F556 PolarHBondContact ND2-O 2.7Å; L517-F556 HydrophobicContact CD2-CE1 4.06Å; L517-F556 HydrophobicContact CD2-CZ 4.18Å; L517-F556 HydrophobicContact CG-CZ 4.15Å; A519-F556 HydrophobicContact CB-CD2 4.47Å; A519-F556 HydrophobicContact CB-CE2 3.47Å; A519-F556 VanDerWaalsContact CB-CE2 3.47Å; A519-F556 HydrophobicContact CB-CZ 3.72Å; L529-F556 HydrophobicContact CD2-CZ 4.12Å; F556-L564 HydrophobicContact CB-CD1 4.37Å; F556-L564 HydrophobicContact CD1-CB 4.46Å; F556-L564 HydrophobicContact CD1-CD1 3.55Å; F556-L564 HydrophobicContact CD2-CD1 3.68Å; F556-L564 HydrophobicContact CE1-CD1 3.62Å; F556-L564 HydrophobicContact CE2-CD1 3.73Å; F556-L564 HydrophobicContact CG-CD1 3.59Å; F556-L564 HydrophobicContact CZ-CD1 3.71Å; F556-I578 HydrophobicContact CE1-CG2 4.27Å; F556-W600 VanDerWaalsContact O-CD1 3.3Å
557	N	96.6	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.			trans	-60.1	142.5	169.8	-170.1	-54.6	0	0	0	110.1	N512 H513 L559 N560 L563 W600 E605	N512-N557 PolarHBondContact ND2-O 3.35Å; H513-N557 PolarHBondContact NE2-O 2.83Å; N557-L559 PolarHBondContact OD1-N 2.92Å; N557-N560 HydrophobicContact CB-CB 4.3Å; N557-N560 WeakPolarHBondContact CB-O 3.38Å; N557-N560 PolarHBondContact OD1-N 3.37Å; N557-L563 HydrophobicContact CB-CB 3.75Å; N557-L563 WeakPolarHBondContact CB-O 3.14Å; N557-L563 PolarHBondContact N-O 2.76Å; N557-W600 HydrophobicContact CB-CD2 3.9Å; N557-W600 HydrophobicContact CB-CE3 4.27Å; N557-W600 HydrophobicContact CB-CG 4.14Å; N557-W600 HydrophobicContact CB-CZ2 4.4Å; N557-W600 WeakPolarHBondContact ND2-CZ3 3.3Å; N557-E605 PolarHBondContact ND2-O 3.41Å
558	K	94	Very high	95.9	Very high	85 Å²	85	29.7 Å²	29.7	37%	0.37	15%	0.152	S	C	.	.	S	Bend	trans	-82.7	-24	-174.7	-62.7	-72.1	167.5	-175.4	0	112.5	N512 H513 W600	N512-K558 PolarHBondContact OD1-NZ 3.4Å; H513-K558 PolarHBondContact CE1-O 2.81Å; H513-K558 VanDerWaalsContact CE1-O 3.24Å; H513-K558 PolarHBondContact NE2-O 2.8Å; K558-W600 HydrophobicContact CG-CB 4.22Å
559	L	93.4	Very high	95.9	Very high	84 Å²	84	24.3 Å²	24.3	44%	0.44	13%	0.125	S	C	.	.	S	Bend	trans	-114.9	-39.7	-173.4	-62.6	177.1	0	0	0	111.8	H513 N557 E605	H513-L559 VanDerWaalsContact CE1-C 3.43Å; H513-L559 PolarHBondContact CE1-O 3.42Å; N557-L559 PolarHBondContact OD1-N 2.92Å; L559-E605 HydrophobicContact CB-CB 3.94Å; L559-E605 HydrophobicContact CD1-CB 4.34Å
560	N	93	Very high	95.9	Very high	38 Å²	38	20 Å²	20	20%	0.203	11%	0.107	C	C	.	.			trans	-97.7	117.5	-179.2	-166.1	-46	0	0	0	111.5	N557 V562 L563 E605	N557-N560 HydrophobicContact CB-CB 4.3Å; N557-N560 WeakPolarHBondContact CB-O 3.38Å; N557-N560 PolarHBondContact OD1-N 3.37Å; N560-V562 PolarHBondContact O-N 3.34Å; N560-V562 VanDerWaalsContact O-N 3.11Å; N560-V562 WeakPolarHBondContact OD1-CB 3.43Å; N560-V562 PolarHBondContact OD1-N 3.45Å; N560-L563 HydrophobicContact CB-CB 4.41Å; N560-L563 HydrophobicContact CB-CD1 4.09Å; N560-L563 HydrophobicContact CB-CG 4.26Å; N560-E605 HydrophobicContact CB-CB 4.29Å; N560-E605 PolarHBondContact ND2-OE2 3.43Å
561	P	92.7	Very high	95.8	Very high	32 Å²	32	21.6 Å²	21.6	21%	0.208	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.3	-175.6	27	-34.5	0	0	0	115	L75 H513 I578	L75-P561 HydrophobicContact CD2-CB 4.42Å; H513-P561 HydrophobicContact CB-CB 3.7Å; H513-P561 WeakPolarHBondContact CD2-CA 3.08Å; P561-I578 WeakPolarHBondContact O-CD1 3.1Å
562	V	93	Very high	95.7	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.024	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-23.9	-171.3	178.3	0	0	0	0	112.7	L75 Y79 N560 D577 I578 R579	L75-V562 HydrophobicContact CD1-CG2 4.5Å; L75-V562 HydrophobicContact CD2-CG2 4.11Å; Y79-V562 WeakPolarHBondContact OH-CG2 3.18Å; N560-V562 PolarHBondContact O-N 3.34Å; N560-V562 VanDerWaalsContact O-N 3.11Å; N560-V562 WeakPolarHBondContact OD1-CB 3.43Å; N560-V562 PolarHBondContact OD1-N 3.45Å; V562-D577 HydrophobicContact CG1-CB 4.26Å; V562-D577 WeakPolarHBondContact CG1-OD1 3.41Å; V562-D577 WeakPolarHBondContact CG1-OD2 3.5Å; V562-I578 HydrophobicContact CB-CG1 4.48Å; V562-I578 HydrophobicContact CG1-CG1 4.19Å; V562-I578 PolarHBondContact O-N 2.95Å; V562-R579 HydrophobicContact CG1-CG 4.16Å
563	L	95	Very high	95.6	Very high	16 Å²	16	21.3 Å²	21.3	8%	0.084	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.1	-172	-65.6	178.4	0	0	0	112.2	N557 N560 I575 L585 W600 I622	N557-L563 HydrophobicContact CB-CB 3.75Å; N557-L563 WeakPolarHBondContact CB-O 3.14Å; N557-L563 PolarHBondContact N-O 2.76Å; N560-L563 HydrophobicContact CB-CB 4.41Å; N560-L563 HydrophobicContact CB-CD1 4.09Å; N560-L563 HydrophobicContact CB-CG 4.26Å; L563-I575 HydrophobicContact CD2-CG2 4.29Å; L563-L585 HydrophobicContact CD2-CD1 3.52Å; L563-W600 HydrophobicContact CB-CH2 4.37Å; L563-W600 HydrophobicContact CB-CZ2 4.31Å; L563-W600 HydrophobicContact CD1-CH2 4.39Å; L563-I622 HydrophobicContact CD1-CD1 3.94Å
564	L	96	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147	173.7	-179	94.2	0	0	0	108.4	A519 L527 V554 F556 T566 I575 W576 I578	A519-L564 HydrophobicContact CB-CD1 4.02Å; L527-L564 HydrophobicContact CD1-CD2 3.71Å; L527-L564 HydrophobicContact CD2-CD2 3.48Å; L527-L564 VanDerWaalsContact CD2-CD2 3.48Å; L527-L564 HydrophobicContact CG-CD2 4.17Å; V554-L564 HydrophobicContact CG2-CD1 3.67Å; V554-L564 HydrophobicContact CG2-CD2 4.01Å; V554-L564 HydrophobicContact CG2-CG 4.01Å; F556-L564 HydrophobicContact CB-CD1 4.37Å; F556-L564 HydrophobicContact CD1-CB 4.46Å; F556-L564 HydrophobicContact CD1-CD1 3.55Å; F556-L564 HydrophobicContact CD2-CD1 3.68Å; F556-L564 HydrophobicContact CE1-CD1 3.62Å; F556-L564 HydrophobicContact CE2-CD1 3.73Å; F556-L564 HydrophobicContact CG-CD1 3.59Å; F556-L564 HydrophobicContact CZ-CD1 3.71Å; L564-T566 HydrophobicContact CD2-CG2 4.43Å; L564-I575 WeakPolarHBondContact O-CA 3.28Å; L564-W576 HydrophobicContact CB-CB 4.3Å; L564-W576 HydrophobicContact CD2-CB 4.45Å; L564-W576 PolarHBondContact N-O 3.26Å; L564-W576 VanDerWaalsContact N-O 3.11Å; L564-W576 PolarHBondContact O-N 3.35Å; L564-I578 HydrophobicContact CB-CG2 4.46Å
565	A	97.2	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.6	171.3	0	0	0	0	0	111.4	V554 A555 A574 I575 I598 W600	V554-A565 WeakPolarHBondContact CA-O 3.26Å; A555-A565 PolarHBondContact N-O 2.93Å; A555-A565 PolarHBondContact O-N 2.77Å; A565-A574 CarbonylContact C-O 3.59Å; A565-A574 VanDerWaalsContact CA-O 3.25Å; A565-A574 WeakPolarHBondContact CA-O 3.27Å; A565-I575 HydrophobicContact CB-CD1 3.63Å; A565-I598 HydrophobicContact CB-CD1 3.38Å; A565-I598 HydrophobicContact CB-CG1 4.19Å; A565-W600 HydrophobicContact CB-CZ2 3.71Å
566	T	97.9	Very high	95.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.1	172.6	56.5	0	0	0	0	110.2	V521 L527 H547 C553 V554 L564 A573 A574 W576	V521-T566 HydrophobicContact CG1-CG2 3.91Å; L527-T566 HydrophobicContact CD1-CG2 4.03Å; L527-T566 HydrophobicContact CD2-CG2 3.9Å; L527-T566 HydrophobicContact CG-CG2 4.37Å; H547-T566 PolarHBondContact NE2-OG1 3.39Å; C553-T566 WeakPolarHBondContact O-CA 3.47Å; V554-T566 HydrophobicContact CB-CG2 4.36Å; V554-T566 HydrophobicContact CG2-CG2 4.04Å; L564-T566 HydrophobicContact CD2-CG2 4.43Å; T566-A573 CarbonylContact O-C 3.53Å; T566-A573 VanDerWaalsContact O-CA 3.27Å; T566-A573 WeakPolarHBondContact O-CA 3.21Å; T566-A574 PolarHBondContact N-O 3.37Å; T566-A574 PolarHBondContact O-N 2.81Å; T566-W576 PolarHBondContact OG1-NE1 3.16Å
567	G	97	Very high	95.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.7	174	0	0	0	0	0	111	N552 C553	N552-G567 PolarHBondContact N-O 3.35Å; C553-G567 PolarHBondContact N-O 3.2Å; C553-G567 PolarHBondContact O-N 3.23Å
568	S	97.5	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.3	-170.7	167.3	0	0	0	0	113.7	H547 K549 D550 D570 K571 T572 V595	H547-S568 WeakPolarHBondContact CB-OG 3.44Å; H547-S568 VanDerWaalsContact ND1-CB 3.28Å; H547-S568 WeakPolarHBondContact ND1-CB 3.35Å; K549-S568 PolarHBondContact O-OG 3.04Å; D550-S568 WeakPolarHBondContact O-CA 3.35Å; D550-S568 WeakPolarHBondContact O-CB 3.45Å; D550-S568 PolarHBondContact O-OG 2.78Å; D550-S568 VanDerWaalsContact O-OG 3.07Å; S568-D570 WeakPolarHBondContact CB-OD1 3.32Å; S568-D570 PolarHBondContact O-N 2.99Å; S568-D570 PolarHBondContact OG-N 2.86Å; S568-D570 PolarHBondContact OG-OD1 2.86Å; S568-D570 VanDerWaalsContact OG-OD1 3.13Å; S568-D570 PolarHBondContact OG-OD2 3.43Å; S568-K571 PolarHBondContact O-N 2.9Å; S568-T572 PolarHBondContact N-O 3.37Å; S568-V595 PolarHBondContact O-N 3.48Å
569	S	96.2	Very high	94.8	Very high	17 Å²	17	22 Å²	22	12%	0.119	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.1	169.1	-69.9	0	0	0	0	113.9	D550 N552 K571 Q594	D550-S569 PolarHBondContact O-N 3Å; N552-S569 PolarHBondContact ND2-N 3.1Å; N552-S569 PolarHBondContact ND2-OG 3.39Å; S569-K571 PolarHBondContact O-N 3.33Å; S569-Q594 VanDerWaalsContact CB-OE1 3.23Å; S569-Q594 PolarHBondContact OG-OE1 2.86Å
570	D	94.8	Very high	94.6	Very high	28 Å²	28	23.3 Å²	23.3	15%	0.15	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	4.5	170.2	67.1	13.3	0	0	0	113.8	H547 D548 K549 S568 T572	H547-D570 WeakPolarHBondContact CB-OD2 3.44Å; H547-D570 IonicContact CG-OD2 3.26Å; H547-D570 IonicContact ND1-OD1 2.85Å; H547-D570 PolarHBondContact ND1-OD1 3Å; H547-D570 IonicContact ND1-OD2 3.91Å; H547-D570 PolarHBondContact ND1-OD2 3.19Å; D548-D570 PolarHBondContact N-OD2 3.28Å; K549-D570 HydrophobicContact CB-CB 4.05Å; K549-D570 HydrophobicContact CD-CB 4.46Å; K549-D570 HydrophobicContact CG-CB 4.15Å; S568-D570 WeakPolarHBondContact CB-OD1 3.32Å; S568-D570 PolarHBondContact O-N 2.99Å; S568-D570 PolarHBondContact OG-N 2.86Å; S568-D570 PolarHBondContact OG-OD1 2.86Å; S568-D570 VanDerWaalsContact OG-OD1 3.13Å; S568-D570 PolarHBondContact OG-OD2 3.43Å; D570-T572 VanDerWaalsContact C-N 3.3Å; D570-T572 VanDerWaalsContact CG-OG1 3.22Å; D570-T572 WeakPolarHBondContact OD1-CB 3.22Å; D570-T572 PolarHBondContact OD1-N 3.45Å; D570-T572 PolarHBondContact OD1-OG1 3.48Å; D570-T572 PolarHBondContact OD2-OG1 2.79Å
571	K	94.6	Very high	94.5	Very high	97 Å²	97	21.5 Å²	21.5	42%	0.422	10%	0.101	S	C	.	.	S	Bend	trans	64.5	31.7	-177.3	-47.7	-171.4	176.7	-167.9	0	113.2	S568 S569 T590	S568-K571 PolarHBondContact O-N 2.9Å; S569-K571 PolarHBondContact O-N 3.33Å; K571-T590 PolarHBondContact O-N 3.37Å; K571-T590 PolarHBondContact O-OG1 3.49Å
572	T	94.6	Very high	94.2	Very high	23 Å²	23	24.6 Å²	24.6	14%	0.141	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.8	174.5	73.2	0	0	0	0	112.2	H547 S568 D570 I588	H547-T572 PolarHBondContact CE1-OG1 2.99Å; H547-T572 PolarHBondContact ND1-OG1 3.31Å; H547-T572 VanDerWaalsContact ND1-OG1 3.1Å; S568-T572 PolarHBondContact N-O 3.37Å; D570-T572 VanDerWaalsContact C-N 3.3Å; D570-T572 VanDerWaalsContact CG-OG1 3.22Å; D570-T572 WeakPolarHBondContact OD1-CB 3.22Å; D570-T572 PolarHBondContact OD1-N 3.45Å; D570-T572 PolarHBondContact OD1-OG1 3.48Å; D570-T572 PolarHBondContact OD2-OG1 2.79Å; T572-I588 CarbonylContact C-O 3.58Å; T572-I588 VanDerWaalsContact CA-O 3.27Å; T572-I588 WeakPolarHBondContact CA-O 3.32Å
573	A	95.5	Very high	94	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.4	164.3	0	0	0	0	0	108.9	T566 I588 I598 F608 T610	T566-A573 CarbonylContact O-C 3.53Å; T566-A573 VanDerWaalsContact O-CA 3.27Å; T566-A573 WeakPolarHBondContact O-CA 3.21Å; A573-I588 HydrophobicContact CB-CB 4.49Å; A573-I588 PolarHBondContact N-O 3.35Å; A573-I588 WeakPolarHBondContact O-CB 2.91Å; A573-I588 PolarHBondContact O-N 2.92Å; A573-I598 HydrophobicContact CB-CD1 4.26Å; A573-F608 HydrophobicContact CB-CE2 4.27Å; A573-T610 HydrophobicContact CB-CG2 4.11Å
574	A	95.3	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137	179.2	0	0	0	0	0	110.9	A565 T566 W576 K584 S586	A565-A574 CarbonylContact C-O 3.59Å; A565-A574 VanDerWaalsContact CA-O 3.25Å; A565-A574 WeakPolarHBondContact CA-O 3.27Å; T566-A574 PolarHBondContact N-O 3.37Å; T566-A574 PolarHBondContact O-N 2.81Å; A574-W576 HydrophobicContact CB-CZ2 4.05Å; A574-K584 HydrophobicContact CB-CD 3.9Å; A574-K584 HydrophobicContact CB-CG 4.34Å; A574-S586 CarbonylContact C-O 3.26Å; A574-S586 WeakPolarHBondContact CA-O 3.38Å
575	I	95.6	Very high	93.5	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.3	174.8	-49.7	-60.3	0	0	0	108.7	L563 L564 A565 L585 S586 I588 W600 F608 I622	L563-I575 HydrophobicContact CD2-CG2 4.29Å; L564-I575 WeakPolarHBondContact O-CA 3.28Å; A565-I575 HydrophobicContact CB-CD1 3.63Å; I575-L585 HydrophobicContact CB-CB 4.48Å; I575-L585 HydrophobicContact CG2-CB 4.41Å; I575-L585 HydrophobicContact CG2-CD1 4.26Å; I575-L585 WeakPolarHBondContact O-CB 2.97Å; I575-L585 PolarHBondContact O-N 2.93Å; I575-S586 PolarHBondContact N-O 2.97Å; I575-S586 PolarHBondContact O-N 2.97Å; I575-I588 HydrophobicContact CG1-CD1 4.22Å; I575-W600 HydrophobicContact CD1-CH2 4.13Å; I575-W600 HydrophobicContact CD1-CZ2 4.06Å; I575-W600 HydrophobicContact CG2-CH2 4.38Å; I575-F608 HydrophobicContact CD1-CD1 4.32Å; I575-F608 HydrophobicContact CD1-CE1 3.83Å; I575-F608 HydrophobicContact CD1-CZ 3.98Å; I575-I622 HydrophobicContact CD1-CG2 4.38Å; I575-I622 HydrophobicContact CG1-CG2 4.14Å
576	W	95.4	Very high	93.1	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.3	-172.3	-57.5	89.6	0	0	0	111.4	L527 V544 C546 L564 T566 A574 M581 K584	L527-W576 HydrophobicContact CD2-CD2 4Å; L527-W576 HydrophobicContact CD2-CG 3.98Å; V544-W576 HydrophobicContact CG2-CH2 4.41Å; V544-W576 HydrophobicContact CG2-CZ3 4.23Å; C546-W576 HydrophobicContact CB-CH2 4.01Å; C546-W576 HydrophobicContact CB-CZ2 3.41Å; C546-W576 VanDerWaalsContact CB-CZ2 3.41Å; L564-W576 HydrophobicContact CB-CB 4.3Å; L564-W576 HydrophobicContact CD2-CB 4.45Å; L564-W576 PolarHBondContact N-O 3.26Å; L564-W576 VanDerWaalsContact N-O 3.11Å; L564-W576 PolarHBondContact O-N 3.35Å; T566-W576 PolarHBondContact OG1-NE1 3.16Å; A574-W576 HydrophobicContact CB-CZ2 4.05Å; W576-M581 HydrophobicContact CB-SD 4.13Å; W576-K584 HydrophobicContact CE3-CG 4.26Å; W576-K584 HydrophobicContact CH2-CB 4.5Å; W576-K584 HydrophobicContact CH2-CD 4.16Å; W576-K584 HydrophobicContact CH2-CG 3.33Å; W576-K584 HydrophobicContact CZ2-CD 4.1Å; W576-K584 HydrophobicContact CZ2-CG 3.56Å; W576-K584 HydrophobicContact CZ3-CB 4.49Å; W576-K584 HydrophobicContact CZ3-CG 3.7Å
577	D	93.5	Very high	92.8	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.4	165.6	-168.8	-49.7	0	0	0	108.1	V562 R579 K580 M581 L585	V562-D577 HydrophobicContact CG1-CB 4.26Å; V562-D577 WeakPolarHBondContact CG1-OD1 3.41Å; V562-D577 WeakPolarHBondContact CG1-OD2 3.5Å; D577-R579 PolarHBondContact O-N 3.31Å; D577-R579 WeakPolarHBondContact OD1-CA 3.18Å; D577-R579 WeakPolarHBondContact OD1-CB 3.27Å; D577-R579 WeakPolarHBondContact OD1-CG 3.44Å; D577-R579 IonicContact OD1-CZ 2.64Å; D577-R579 PolarHBondContact OD1-N 3.18Å; D577-R579 IonicContact OD1-NE 3.36Å; D577-R579 PolarHBondContact OD1-NE 3.18Å; D577-R579 IonicContact OD1-NH2 2.85Å; D577-R579 IonicContact OD2-CZ 2.88Å; D577-R579 IonicContact OD2-NE 3.57Å; D577-R579 PolarHBondContact OD2-NE 2.9Å; D577-R579 IonicContact OD2-NH2 3.81Å; D577-R579 PolarHBondContact OD2-NH2 2.75Å; D577-K580 HydrophobicContact CB-CB 4.49Å; D577-K580 CarbonylContact O-C 3.49Å; D577-K580 PolarHBondContact O-N 3.01Å; D577-M581 PolarHBondContact O-N 2.64Å; D577-L585 HydrophobicContact CB-CD1 3.72Å; D577-L585 HydrophobicContact CB-CD2 3.94Å; D577-L585 HydrophobicContact CB-CG 3.79Å
578	I	92.8	Very high	92.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16	-179.7	65.7	178.8	0	0	0	114	L75 L517 L529 F556 P561 V562 L564 M581	L75-I578 HydrophobicContact CD1-CD1 4.15Å; L75-I578 HydrophobicContact CD1-CG1 4.13Å; L75-I578 HydrophobicContact CD2-CD1 4.09Å; L75-I578 HydrophobicContact CG-CD1 4.4Å; L517-I578 HydrophobicContact CD2-CD1 4.21Å; L529-I578 HydrophobicContact CD1-CB 4.27Å; L529-I578 HydrophobicContact CD1-CG2 4.16Å; F556-I578 HydrophobicContact CE1-CG2 4.27Å; P561-I578 WeakPolarHBondContact O-CD1 3.1Å; V562-I578 HydrophobicContact CB-CG1 4.48Å; V562-I578 HydrophobicContact CG1-CG1 4.19Å; V562-I578 PolarHBondContact O-N 2.95Å; L564-I578 HydrophobicContact CB-CG2 4.46Å; I578-M581 HydrophobicContact CG2-SD 4.45Å
579	R	89.7	Confident	92.1	Very high	101 Å²	101	44 Å²	44	38%	0.381	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.8	174.5	-54.5	170.5	-64.6	178.2	3	112.1	I67 K71 L75 Y79 V562 D577	I67-R579 WeakPolarHBondContact CG2-O 3.4Å; K71-R579 HydrophobicContact CD-CB 4.49Å; K71-R579 WeakPolarHBondContact CE-O 3.33Å; K71-R579 HydrophobicContact CG-CB 4.36Å; K71-R579 HydrophobicContact CG-CG 4.31Å; L75-R579 HydrophobicContact CD1-CG 3.28Å; Y79-R579 PolarHBondContact OH-NH1 3.03Å; V562-R579 HydrophobicContact CG1-CG 4.16Å; D577-R579 PolarHBondContact O-N 3.31Å; D577-R579 WeakPolarHBondContact OD1-CA 3.18Å; D577-R579 WeakPolarHBondContact OD1-CB 3.27Å; D577-R579 WeakPolarHBondContact OD1-CG 3.44Å; D577-R579 IonicContact OD1-CZ 2.64Å; D577-R579 PolarHBondContact OD1-N 3.18Å; D577-R579 IonicContact OD1-NE 3.36Å; D577-R579 PolarHBondContact OD1-NE 3.18Å; D577-R579 IonicContact OD1-NH2 2.85Å; D577-R579 IonicContact OD2-CZ 2.88Å; D577-R579 IonicContact OD2-NE 3.57Å; D577-R579 PolarHBondContact OD2-NE 2.9Å; D577-R579 IonicContact OD2-NH2 3.81Å; D577-R579 PolarHBondContact OD2-NH2 2.75Å
580	K	89.8	Confident	91.6	Very high	110 Å²	110	43.2 Å²	43.2	48%	0.478	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-137	72	-178	-168.2	-173.5	173.6	-170.2	0	109.8	D577 K582 E583	D577-K580 HydrophobicContact CB-CB 4.49Å; D577-K580 CarbonylContact O-C 3.49Å; D577-K580 PolarHBondContact O-N 3.01Å; K580-K582 VanDerWaalsContact C-N 3.3Å; K580-K582 PolarHBondContact O-N 2.99Å; K580-E583 VanDerWaalsContact CE-OE2 3.22Å; K580-E583 WeakPolarHBondContact CE-OE2 3.16Å; K580-E583 IonicContact NZ-OE2 3.99Å; K580-E583 PolarHBondContact NZ-OE2 3.04Å
581	M	90.7	Very high	90.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.9	-177.3	-67.9	-67.6	-68.7	0	0	114.4	L527 L529 V542 V544 W576 D577 I578 E583	L527-M581 HydrophobicContact CD2-CE 3.41Å; L527-M581 VanDerWaalsContact CD2-CE 3.41Å; L527-M581 HydrophobicContact CG-CE 3.98Å; L529-M581 HydrophobicContact CD1-CE 3.75Å; L529-M581 HydrophobicContact CD1-CG 3.92Å; L529-M581 HydrophobicContact CD1-SD 3.9Å; L529-M581 HydrophobicContact CG-CE 4Å; V542-M581 HydrophobicContact CG1-CB 3.8Å; V542-M581 HydrophobicContact CG1-CG 4.15Å; V544-M581 HydrophobicContact CG1-CB 4.28Å; V544-M581 WeakPolarHBondContact CG1-O 3.06Å; V544-M581 HydrophobicContact CG2-CE 3.98Å; W576-M581 HydrophobicContact CB-SD 4.13Å; D577-M581 PolarHBondContact O-N 2.64Å; I578-M581 HydrophobicContact CG2-SD 4.45Å; M581-E583 PolarHBondContact O-N 3.45Å
582	K	85.4	Confident	90.2	Very high	98 Å²	98	41.1 Å²	41.1	43%	0.426	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.6	179.6	-66.1	-170.4	180	-176.5	0	113	E64 K580	E64-K582 IonicContact OE1-NZ 3.69Å; E64-K582 PolarHBondContact OE1-NZ 2.61Å; K580-K582 VanDerWaalsContact C-N 3.3Å; K580-K582 PolarHBondContact O-N 2.99Å
583	E	88.7	Confident	89.9	Confident	113 Å²	113	40 Å²	40	53%	0.528	20%	0.203	S	C	.	.	S	Bend	trans	-132.1	145.3	-177	-69.9	171.8	-170.3	0	0	109.9	K580 M581	K580-E583 VanDerWaalsContact CE-OE2 3.22Å; K580-E583 WeakPolarHBondContact CE-OE2 3.16Å; K580-E583 IonicContact NZ-OE2 3.99Å; K580-E583 PolarHBondContact NZ-OE2 3.04Å; M581-E583 PolarHBondContact O-N 3.45Å
584	K	91.7	Very high	89.9	Confident	76 Å²	76	44 Å²	44	33%	0.33	22%	0.222	S	C	.	.			trans	-68.5	136.2	170.2	-61.1	178	-167.7	-169.6	0	108.5	C546 A574 W576 S586	C546-K584 WeakPolarHBondContact O-CE 3.4Å; C546-K584 PolarHBondContact O-NZ 3.16Å; A574-K584 HydrophobicContact CB-CD 3.9Å; A574-K584 HydrophobicContact CB-CG 4.34Å; W576-K584 HydrophobicContact CE3-CG 4.26Å; W576-K584 HydrophobicContact CH2-CB 4.5Å; W576-K584 HydrophobicContact CH2-CD 4.16Å; W576-K584 HydrophobicContact CH2-CG 3.33Å; W576-K584 HydrophobicContact CZ2-CD 4.1Å; W576-K584 HydrophobicContact CZ2-CG 3.56Å; W576-K584 HydrophobicContact CZ3-CB 4.49Å; W576-K584 HydrophobicContact CZ3-CG 3.7Å; K584-S586 VanDerWaalsContact C-N 3.33Å
585	L	90.6	Very high	90	Very high	88 Å²	88	44 Å²	44	46%	0.461	22%	0.222	S	C	.	.	S	Bend	trans	-67.6	-39.8	168.7	-75.8	179.8	0	0	0	111.1	L563 I575 D577	L563-L585 HydrophobicContact CD2-CD1 3.52Å; I575-L585 HydrophobicContact CB-CB 4.48Å; I575-L585 HydrophobicContact CG2-CB 4.41Å; I575-L585 HydrophobicContact CG2-CD1 4.26Å; I575-L585 WeakPolarHBondContact O-CB 2.97Å; I575-L585 PolarHBondContact O-N 2.93Å; D577-L585 HydrophobicContact CB-CD1 3.72Å; D577-L585 HydrophobicContact CB-CD2 3.94Å; D577-L585 HydrophobicContact CB-CG 3.79Å
586	S	88.8	Confident	90	Very high	13 Å²	13	44.2 Å²	44.2	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	142.7	-176.7	166.6	0	0	0	0	108.7	A574 I575 K584 I588 F626	A574-S586 CarbonylContact C-O 3.26Å; A574-S586 WeakPolarHBondContact CA-O 3.38Å; I575-S586 PolarHBondContact N-O 2.97Å; I575-S586 PolarHBondContact O-N 2.97Å; K584-S586 VanDerWaalsContact C-N 3.33Å; S586-I588 WeakPolarHBondContact OG-CG1 3.38Å; S586-F626 WeakPolarHBondContact OG-CZ 3.49Å
587	S	90.7	Very high	89.9	Confident	57 Å²	57	46.1 Å²	46.1	40%	0.399	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.4	171.1	-167	0	0	0	0	107.8
588	I	91	Very high	90.1	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.4	-171.1	-56.2	176.1	0	0	0	107.1	T572 A573 I575 S586 T590 F608 W620 I622	T572-I588 CarbonylContact C-O 3.58Å; T572-I588 VanDerWaalsContact CA-O 3.27Å; T572-I588 WeakPolarHBondContact CA-O 3.32Å; A573-I588 HydrophobicContact CB-CB 4.49Å; A573-I588 PolarHBondContact N-O 3.35Å; A573-I588 WeakPolarHBondContact O-CB 2.91Å; A573-I588 PolarHBondContact O-N 2.92Å; I575-I588 HydrophobicContact CG1-CD1 4.22Å; S586-I588 WeakPolarHBondContact OG-CG1 3.38Å; I588-T590 PolarHBondContact O-N 2.94Å; I588-F608 HydrophobicContact CD1-CE1 3.9Å; I588-F608 HydrophobicContact CD1-CZ 3.58Å; I588-W620 HydrophobicContact CG2-CD2 4.05Å; I588-W620 HydrophobicContact CG2-CE3 3.55Å; I588-W620 HydrophobicContact CG2-CH2 3.8Å; I588-W620 HydrophobicContact CG2-CZ2 4.28Å; I588-W620 HydrophobicContact CG2-CZ3 3.38Å; I588-I622 HydrophobicContact CD1-CG2 4.34Å
589	S	89.7	Confident	90.2	Very high	78 Å²	78	48 Å²	48	55%	0.545	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.7	174.8	-173.7	0	0	0	0	109.3
590	T	85.7	Confident	90.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.			trans	-107.7	105	177.9	63	0	0	0	0	108.6	K571 I588 D592 V595 H612 W620	K571-T590 PolarHBondContact O-N 3.37Å; K571-T590 PolarHBondContact O-OG1 3.49Å; I588-T590 PolarHBondContact O-N 2.94Å; T590-D592 PolarHBondContact O-N 3.1Å; T590-V595 HydrophobicContact CG2-CG2 4.23Å; T590-V595 WeakPolarHBondContact OG1-CG2 3.36Å; T590-H612 WeakPolarHBondContact CB-CE1 3.23Å; T590-H612 PolarHBondContact OG1-CE1 3.1Å; T590-W620 HydrophobicContact CG2-CH2 4.04Å; T590-W620 HydrophobicContact CG2-CZ2 3.42Å; T590-W620 VanDerWaalsContact CG2-CZ2 3.42Å
591	P	79.3	Confident	90.8	Very high	59 Å²	59	38 Å²	38	38%	0.383	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25	-173.7	25.4	-32.6	0	0	0	112.9	G593 F636	P591-G593 PolarHBondContact O-N 3.44Å; P591-F636 HydrophobicContact CG-CD1 4.06Å; P591-F636 HydrophobicContact CG-CE1 4.19Å
592	D	79	Confident	90.8	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.112	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	25.9	-169.1	-53.9	-44.5	0	0	0	115	T590 H612 D614 H616 N618	T590-D592 PolarHBondContact O-N 3.1Å; D592-H612 HydrophobicContact CB-CB 4.5Å; D592-H612 WeakPolarHBondContact O-CB 3.34Å; D592-D614 VanDerWaalsContact C-OD2 3.27Å; D592-D614 VanDerWaalsContact O-CB 3.28Å; D592-D614 WeakPolarHBondContact O-CB 3.48Å; D592-D614 VanDerWaalsContact O-CG 3.3Å; D592-H616 HydrophobicContact CB-CB 3.81Å; D592-H616 IonicContact OD1-CD2 3.04Å; D592-N618 PolarHBondContact OD2-ND2 3.12Å
593	G	89.9	Confident	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	98.8	-167.1	175.5	0	0	0	0	0	114.8	P591 D614	P591-G593 PolarHBondContact O-N 3.44Å; G593-D614 WeakPolarHBondContact CA-OD2 3.27Å; G593-D614 PolarHBondContact N-OD2 3.46Å
594	Q	95	Very high	91.1	Very high	83 Å²	83	33.2 Å²	33.2	39%	0.388	18%	0.181	S	C	.	.			trans	-69.2	139.6	-175.1	-60.6	-175.3	30.6	0	0	110.2	S569 T596 H612 S613	S569-Q594 VanDerWaalsContact CB-OE1 3.23Å; S569-Q594 PolarHBondContact OG-OE1 2.86Å; Q594-T596 PolarHBondContact O-N 3.49Å; Q594-H612 CarbonylContact O-C 3.52Å; Q594-H612 VanDerWaalsContact O-CA 3.26Å; Q594-H612 WeakPolarHBondContact O-CA 3.13Å; Q594-S613 PolarHBondContact N-OG 3.35Å; Q594-S613 PolarHBondContact O-N 3.37Å
595	V	96.7	Very high	91.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115	176.6	-174.7	0	0	0	0	108.7	N552 S568 T590 T610	N552-V595 WeakPolarHBondContact CB-O 3.39Å; N552-V595 PolarHBondContact ND2-O 2.59Å; S568-V595 PolarHBondContact O-N 3.48Å; T590-V595 HydrophobicContact CG2-CG2 4.23Å; T590-V595 WeakPolarHBondContact OG1-CG2 3.36Å; V595-T610 HydrophobicContact CG1-CG2 4.08Å
596	T	95.3	Very high	91.1	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-30.8	-177.3	61.8	0	0	0	0	111.9	Q594 G611 E650 V651	Q594-T596 PolarHBondContact O-N 3.49Å; T596-G611 PolarHBondContact N-O 2.97Å; T596-G611 PolarHBondContact OG1-O 3.49Å; T596-G611 VanDerWaalsContact OG1-O 3.09Å; T596-E650 HydrophobicContact CG2-CG 4.02Å; T596-E650 WeakPolarHBondContact CG2-OE1 3.39Å; T596-V651 PolarHBondContact OG1-O 2.99Å
597	R	95.1	Very high	91.3	Very high	45 Å²	45	31.7 Å²	31.7	17%	0.17	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.8	-178.9	-66.3	-63.5	179.6	-99.5	-3.6	111.4	C553 T610 G611 T652 I654	C553-R597 VanDerWaalsContact SG-C 3.52Å; R597-T610 CarbonylContact O-C 3.25Å; R597-T610 VanDerWaalsContact O-CA 3.27Å; R597-T610 WeakPolarHBondContact O-CA 3.28Å; R597-G611 PolarHBondContact N-O 2.76Å; R597-G611 PolarHBondContact O-N 3.23Å; R597-T652 VanDerWaalsContact CZ-O 3.26Å; R597-T652 PolarHBondContact NE-O 3.01Å; R597-T652 PolarHBondContact NH2-O 3.28Å; R597-T652 VanDerWaalsContact NH2-O 3.1Å; R597-I654 HydrophobicContact CB-CD1 4.31Å
598	I	96.4	Very high	91.5	Very high	16 Å²	16	29 Å²	29	8%	0.082	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.5	173.8	-163.4	160.7	0	0	0	109.7	C553 A555 A565 A573 F608 S609 T610	C553-I598 HydrophobicContact CB-CG2 3.96Å; C553-I598 VanDerWaalsContact SG-CG2 3.54Å; A555-I598 HydrophobicContact CB-CG2 3.88Å; A565-I598 HydrophobicContact CB-CD1 3.38Å; A565-I598 HydrophobicContact CB-CG1 4.19Å; A573-I598 HydrophobicContact CB-CD1 4.26Å; I598-F608 HydrophobicContact CD1-CD2 3.9Å; I598-F608 HydrophobicContact CD1-CE2 3.96Å; I598-F608 HydrophobicContact CG1-CD2 3.88Å; I598-F608 HydrophobicContact CG1-CE2 4.38Å; I598-S609 WeakPolarHBondContact CA-O 3.28Å; I598-S609 WeakPolarHBondContact CG1-O 3.46Å; I598-T610 HydrophobicContact CD1-CG2 4.09Å; I598-T610 HydrophobicContact CG1-CG2 4.08Å
599	E	96	Very high	91.7	Very high	38 Å²	38	28.8 Å²	28.8	18%	0.178	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	130.9	176.8	-163.3	179	-174.7	0	0	111.5	F608 S609 I654 S655 W656	E599-F608 CarbonylContact O-C 3.51Å; E599-F608 WeakPolarHBondContact O-CA 3.49Å; E599-S609 PolarHBondContact N-O 2.91Å; E599-S609 PolarHBondContact O-N 3.41Å; E599-S609 PolarHBondContact O-OG 3.36Å; E599-I654 VanDerWaalsContact OE2-C 3.32Å; E599-I654 VanDerWaalsContact OE2-O 3.06Å; E599-S655 WeakPolarHBondContact OE2-CA 3.28Å; E599-S655 PolarHBondContact OE2-N 2.94Å; E599-W656 PolarHBondContact O-NE1 3.15Å; E599-W656 PolarHBondContact OE2-N 3.21Å; E599-W656 VanDerWaalsContact OE2-N 3.15Å
600	W	96.3	Very high	92	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	142.3	175.6	-72.3	92.8	0	0	0	111.3	A555 F556 N557 K558 L563 A565 I575 E605 F608 I622	A555-W600 PolarHBondContact O-NE1 3.04Å; F556-W600 VanDerWaalsContact O-CD1 3.3Å; N557-W600 HydrophobicContact CB-CD2 3.9Å; N557-W600 HydrophobicContact CB-CE3 4.27Å; N557-W600 HydrophobicContact CB-CG 4.14Å; N557-W600 HydrophobicContact CB-CZ2 4.4Å; N557-W600 WeakPolarHBondContact ND2-CZ3 3.3Å; K558-W600 HydrophobicContact CG-CB 4.22Å; L563-W600 HydrophobicContact CB-CH2 4.37Å; L563-W600 HydrophobicContact CB-CZ2 4.31Å; L563-W600 HydrophobicContact CD1-CH2 4.39Å; A565-W600 HydrophobicContact CB-CZ2 3.71Å; I575-W600 HydrophobicContact CD1-CH2 4.13Å; I575-W600 HydrophobicContact CD1-CZ2 4.06Å; I575-W600 HydrophobicContact CG2-CH2 4.38Å; W600-E605 WeakPolarHBondContact CZ3-O 3.4Å; W600-F608 HydrophobicContact CD2-CB 3.87Å; W600-F608 HydrophobicContact CE3-CB 3.74Å; W600-F608 HydrophobicContact CE3-CD1 4.45Å; W600-F608 HydrophobicContact CE3-CG 4.47Å; W600-F608 HydrophobicContact CG-CB 4.27Å; W600-F608 HydrophobicContact CH2-CD1 4.27Å; W600-F608 HydrophobicContact CZ3-CB 4.23Å; W600-F608 HydrophobicContact CZ3-CD1 4.07Å; W600-I622 HydrophobicContact CH2-CD1 4.07Å; W600-I622 HydrophobicContact CZ3-CD1 4.22Å
601	S	94.4	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-61.2	131.7	171.4	178.1	0	0	0	0	110	H603 N604 V607	S601-H603 PolarHBondContact O-N 3.26Å; S601-H603 PolarHBondContact OG-N 3.41Å; S601-N604 PolarHBondContact OG-N 3.41Å; S601-V607 VanDerWaalsContact CB-O 3.3Å; S601-V607 WeakPolarHBondContact CB-O 3.43Å; S601-V607 PolarHBondContact N-O 3.24Å
602	P	91.9	Very high	93.3	Very high	35 Å²	35	22.3 Å²	22.3	23%	0.227	11%	0.109	C	C	.	.	S	Bend	trans	-73.7	-9.4	172.4	29.2	-31.5	0	0	0	112.5	W656	P602-W656 HydrophobicContact CG-CB 4.13Å
603	H	88.7	Confident	94	Very high	50 Å²	50	22.7 Å²	22.7	23%	0.231	11%	0.113	C	C	.	.	S	Bend	trans	-106.9	-24.2	-173.3	-59.1	-68	0	0	0	114	S601 H657 H658 K659 L660	S601-H603 PolarHBondContact O-N 3.26Å; S601-H603 PolarHBondContact OG-N 3.41Å; H603-H657 PolarHBondContact NE2-O 3.37Å; H603-H658 PolarHBondContact CE1-O 3.46Å; H603-H658 PolarHBondContact NE2-O 2.88Å; H603-K659 VanDerWaalsContact CE1-C 3.44Å; H603-K659 PolarHBondContact CE1-O 3.27Å; H603-L660 PolarHBondContact NE2-O 3.28Å
604	N	90.4	Very high	94.1	Very high	26 Å²	26	26.8 Å²	26.8	14%	0.139	14%	0.135	C	C	.	.			trans	-139.4	125.1	-178.8	-171	-51.7	0	0	0	111.3	S601 L606 V607 V686	S601-N604 PolarHBondContact OG-N 3.41Å; N604-L606 PolarHBondContact O-N 3.01Å; N604-L606 PolarHBondContact OD1-N 3.01Å; N604-V607 HydrophobicContact CB-CB 4.11Å; N604-V607 HydrophobicContact CB-CG2 3.91Å; N604-V607 PolarHBondContact O-N 3.44Å; N604-V686 WeakPolarHBondContact ND2-CG1 3.35Å; N604-V686 PolarHBondContact ND2-O 3.27Å
605	E	91.5	Very high	93.9	Very high	85 Å²	85	22.8 Å²	22.8	40%	0.397	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.3	-175.2	71.8	176.4	151	0	0	113.9	N557 L559 N560 W600	N557-E605 PolarHBondContact ND2-O 3.41Å; L559-E605 HydrophobicContact CB-CB 3.94Å; L559-E605 HydrophobicContact CD1-CB 4.34Å; N560-E605 HydrophobicContact CB-CB 4.29Å; N560-E605 PolarHBondContact ND2-OE2 3.43Å; W600-E605 WeakPolarHBondContact CZ3-O 3.4Å
606	L	91.6	Very high	93.6	Very high	60 Å²	60	24.6 Å²	24.6	31%	0.314	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.6	-178.7	-53	177.8	0	0	0	112.5	N604 N621 I622	N604-L606 PolarHBondContact O-N 3.01Å; N604-L606 PolarHBondContact OD1-N 3.01Å; L606-N621 WeakPolarHBondContact O-CA 3.3Å; L606-I622 HydrophobicContact CB-CG1 3.82Å; L606-I622 HydrophobicContact CD2-CD1 3.93Å; L606-I622 HydrophobicContact CD2-CG1 3.8Å; L606-I622 HydrophobicContact CG-CG1 4.41Å; L606-I622 WeakPolarHBondContact O-CG1 3.47Å; L606-I622 PolarHBondContact O-N 3.15Å
607	V	92.9	Very high	93.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.6	-174.1	179.3	0	0	0	0	111.2	S601 N604 I619 W620 M641 W656 F662 V686	S601-V607 VanDerWaalsContact CB-O 3.3Å; S601-V607 WeakPolarHBondContact CB-O 3.43Å; S601-V607 PolarHBondContact N-O 3.24Å; N604-V607 HydrophobicContact CB-CB 4.11Å; N604-V607 HydrophobicContact CB-CG2 3.91Å; N604-V607 PolarHBondContact O-N 3.44Å; V607-I619 HydrophobicContact CG1-CG2 3.61Å; V607-W620 VanDerWaalsContact CA-O 3.28Å; V607-W620 WeakPolarHBondContact CA-O 3.49Å; V607-M641 HydrophobicContact CG1-SD 4.39Å; V607-M641 HydrophobicContact CG2-SD 3.93Å; V607-W656 HydrophobicContact CG1-CH2 3.84Å; V607-W656 HydrophobicContact CG1-CZ2 4.3Å; V607-F662 HydrophobicContact CG1-CE1 4.14Å; V607-V686 HydrophobicContact CG2-CG1 3.74Å
608	F	95.1	Very high	93.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.1	172.5	70.6	-83.5	0	0	0	110.9	A573 I575 I588 I598 E599 W600 T610 W620 I622	A573-F608 HydrophobicContact CB-CE2 4.27Å; I575-F608 HydrophobicContact CD1-CD1 4.32Å; I575-F608 HydrophobicContact CD1-CE1 3.83Å; I575-F608 HydrophobicContact CD1-CZ 3.98Å; I588-F608 HydrophobicContact CD1-CE1 3.9Å; I588-F608 HydrophobicContact CD1-CZ 3.58Å; I598-F608 HydrophobicContact CD1-CD2 3.9Å; I598-F608 HydrophobicContact CD1-CE2 3.96Å; I598-F608 HydrophobicContact CG1-CD2 3.88Å; I598-F608 HydrophobicContact CG1-CE2 4.38Å; E599-F608 CarbonylContact O-C 3.51Å; E599-F608 WeakPolarHBondContact O-CA 3.49Å; W600-F608 HydrophobicContact CD2-CB 3.87Å; W600-F608 HydrophobicContact CE3-CB 3.74Å; W600-F608 HydrophobicContact CE3-CD1 4.45Å; W600-F608 HydrophobicContact CE3-CG 4.47Å; W600-F608 HydrophobicContact CG-CB 4.27Å; W600-F608 HydrophobicContact CH2-CD1 4.27Å; W600-F608 HydrophobicContact CZ3-CB 4.23Å; W600-F608 HydrophobicContact CZ3-CD1 4.07Å; F608-T610 HydrophobicContact CD2-CG2 4.08Å; F608-T610 HydrophobicContact CE2-CG2 3.68Å; F608-W620 HydrophobicContact CD1-CB 3.86Å; F608-W620 HydrophobicContact CD2-CB 4.36Å; F608-W620 AromaticContact CD2-CD1 3.91Å; F608-W620 HydrophobicContact CD2-CG 4.43Å; F608-W620 HydrophobicContact CE1-CB 3.35Å; F608-W620 HydrophobicContact CE1-CG 4.04Å; F608-W620 HydrophobicContact CE2-CB 3.93Å; F608-W620 AromaticContact CE2-CD1 3.38Å; F608-W620 AromaticContact CE2-CG 3.76Å; F608-W620 HydrophobicContact CE2-CG 3.76Å; F608-W620 HydrophobicContact CG-CB 4.32Å; F608-W620 HydrophobicContact CZ-CB 3.37Å; F608-W620 AromaticContact CZ-CD1 3.65Å; F608-W620 HydrophobicContact CZ-CD2 4.4Å; F608-W620 AromaticContact CZ-CG 3.51Å; F608-W620 HydrophobicContact CZ-CG 3.51Å; F608-W620 PolarHBondContact N-O 3.25Å; F608-W620 PolarHBondContact O-N 2.83Å; F608-I622 HydrophobicContact CD1-CG2 4.09Å; F608-I622 HydrophobicContact CE1-CG2 3.57Å
609	S	95.4	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	150.6	175.9	60.5	0	0	0	0	111.7	I598 E599 N618 I619 W656	I598-S609 WeakPolarHBondContact CA-O 3.28Å; I598-S609 WeakPolarHBondContact CG1-O 3.46Å; E599-S609 PolarHBondContact N-O 2.91Å; E599-S609 PolarHBondContact O-N 3.41Å; E599-S609 PolarHBondContact O-OG 3.36Å; S609-N618 CarbonylContact C-O 3.59Å; S609-N618 WeakPolarHBondContact CA-O 3.37Å; S609-I619 VanDerWaalsContact CB-CD1 3.47Å; S609-W656 PolarHBondContact OG-NE1 3.14Å
610	T	96.3	Very high	93.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.8	167.7	56.1	0	0	0	0	110.4	A573 V595 R597 I598 F608 H612 V617 N618 W620	A573-T610 HydrophobicContact CB-CG2 4.11Å; V595-T610 HydrophobicContact CG1-CG2 4.08Å; R597-T610 CarbonylContact O-C 3.25Å; R597-T610 VanDerWaalsContact O-CA 3.27Å; R597-T610 WeakPolarHBondContact O-CA 3.28Å; I598-T610 HydrophobicContact CD1-CG2 4.09Å; I598-T610 HydrophobicContact CG1-CG2 4.08Å; F608-T610 HydrophobicContact CD2-CG2 4.08Å; F608-T610 HydrophobicContact CE2-CG2 3.68Å; T610-H612 PolarHBondContact OG1-CE1 3.48Å; T610-H612 PolarHBondContact OG1-NE2 3.03Å; T610-V617 CarbonylContact O-C 3.5Å; T610-V617 WeakPolarHBondContact O-CA 3.32Å; T610-N618 PolarHBondContact N-O 3.47Å; T610-N618 PolarHBondContact O-N 3.36Å; T610-W620 PolarHBondContact OG1-NE1 3.33Å
611	G	94.9	Very high	92.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.7	170.5	0	0	0	0	0	109.8	T596 R597 I654	T596-G611 PolarHBondContact N-O 2.97Å; T596-G611 PolarHBondContact OG1-O 3.49Å; T596-G611 VanDerWaalsContact OG1-O 3.09Å; R597-G611 PolarHBondContact N-O 2.76Å; R597-G611 PolarHBondContact O-N 3.23Å; G611-I654 VanDerWaalsContact CA-CD1 3.42Å
612	H	95.6	Very high	92.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.4	-171.9	-60.9	-84	0	0	0	113.6	T590 D592 Q594 T610 D614 G615 H616 N618 V651	T590-H612 WeakPolarHBondContact CB-CE1 3.23Å; T590-H612 PolarHBondContact OG1-CE1 3.1Å; D592-H612 HydrophobicContact CB-CB 4.5Å; D592-H612 WeakPolarHBondContact O-CB 3.34Å; Q594-H612 CarbonylContact O-C 3.52Å; Q594-H612 VanDerWaalsContact O-CA 3.26Å; Q594-H612 WeakPolarHBondContact O-CA 3.13Å; T610-H612 PolarHBondContact OG1-CE1 3.48Å; T610-H612 PolarHBondContact OG1-NE2 3.03Å; H612-D614 PolarHBondContact O-N 3.29Å; H612-G615 PolarHBondContact O-N 2.94Å; H612-H616 HydrophobicContact CB-CB 4.49Å; H612-H616 PolarHBondContact CD2-O 3.05Å; H612-H616 VanDerWaalsContact CD2-O 3.27Å; H612-H616 PolarHBondContact N-O 3.14Å; H612-N618 PolarHBondContact NE2-ND2 3.29Å; H612-V651 PolarHBondContact O-N 3.24Å
613	S	94.4	Very high	92	Very high	29 Å²	29	22.4 Å²	22.4	20%	0.203	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.2	171.3	57.9	0	0	0	0	113.3	Q594 G615 E650	Q594-S613 PolarHBondContact N-OG 3.35Å; Q594-S613 PolarHBondContact O-N 3.37Å; S613-G615 VanDerWaalsContact C-N 3.3Å; S613-G615 PolarHBondContact O-N 3.17Å; S613-E650 VanDerWaalsContact O-CA 3.26Å; S613-E650 WeakPolarHBondContact O-CA 3.43Å; S613-E650 WeakPolarHBondContact O-CB 3.19Å; S613-E650 PolarHBondContact O-N 3.08Å
614	D	91.4	Very high	91.3	Very high	86 Å²	86	23.7 Å²	23.7	46%	0.46	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.1	-172.5	-54.4	-5.7	0	0	0	112.1	D592 G593 H612	D592-D614 VanDerWaalsContact C-OD2 3.27Å; D592-D614 VanDerWaalsContact O-CB 3.28Å; D592-D614 WeakPolarHBondContact O-CB 3.48Å; D592-D614 VanDerWaalsContact O-CG 3.3Å; G593-D614 WeakPolarHBondContact CA-OD2 3.27Å; G593-D614 PolarHBondContact N-OD2 3.46Å; H612-D614 PolarHBondContact O-N 3.29Å
615	G	90.7	Very high	89.7	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	91.7	-7.3	177.9	0	0	0	0	0	115.5	H612 S613 H647 G649	H612-G615 PolarHBondContact O-N 2.94Å; S613-G615 VanDerWaalsContact C-N 3.3Å; S613-G615 PolarHBondContact O-N 3.17Å; G615-H647 WeakPolarHBondContact O-CB 3.34Å; G615-G649 WeakPolarHBondContact CA-O 3.44Å
616	H	91.9	Very high	88	Confident	38 Å²	38	29 Å²	29	18%	0.176	16%	0.163	C	C	.	.			trans	-74.7	144.6	176.9	-61.2	-68.2	0	0	0	112.4	D592 H612 Y644 D645	D592-H616 HydrophobicContact CB-CB 3.81Å; D592-H616 IonicContact OD1-CD2 3.04Å; H612-H616 HydrophobicContact CB-CB 4.49Å; H612-H616 PolarHBondContact CD2-O 3.05Å; H612-H616 VanDerWaalsContact CD2-O 3.27Å; H612-H616 PolarHBondContact N-O 3.14Å; H616-Y644 WeakPolarHBondContact CA-O 3.34Å; H616-D645 IonicContact CE1-OD1 3.96Å; H616-D645 PolarHBondContact CE1-OD1 3.2Å; H616-D645 IonicContact CE1-OD2 3.8Å; H616-D645 IonicContact ND1-OD1 2.64Å; H616-D645 PolarHBondContact ND1-OD1 3.19Å; H616-D645 IonicContact NE2-OD1 3.06Å
617	V	93.7	Very high	85.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.1	163.8	-178.4	0	0	0	0	109.1	T610 I619 Y644 V651 I654 W676	T610-V617 CarbonylContact O-C 3.5Å; T610-V617 WeakPolarHBondContact O-CA 3.32Å; V617-I619 HydrophobicContact CG1-CD1 4.49Å; V617-Y644 HydrophobicContact CB-CD1 4.35Å; V617-Y644 HydrophobicContact CG2-CD1 4.44Å; V617-Y644 PolarHBondContact N-O 3.03Å; V617-Y644 WeakPolarHBondContact O-CB 3.46Å; V617-Y644 PolarHBondContact O-N 3.33Å; V617-V651 HydrophobicContact CG2-CB 4.5Å; V617-V651 HydrophobicContact CG2-CG1 3.98Å; V617-V651 HydrophobicContact CG2-CG2 3.78Å; V617-I654 HydrophobicContact CG1-CD1 3.67Å; V617-I654 HydrophobicContact CG1-CG1 4.32Å; V617-I654 HydrophobicContact CG2-CD1 4.18Å; V617-I654 HydrophobicContact CG2-CG1 4.41Å; V617-W676 HydrophobicContact CB-CZ2 4.08Å; V617-W676 HydrophobicContact CG1-CH2 4.32Å; V617-W676 HydrophobicContact CG1-CZ2 3.81Å
618	N	92.9	Very high	82.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.8	-178.2	-71.3	-32	0	0	0	111.3	D592 S609 T610 H612 W620 L640 A643	D592-N618 PolarHBondContact OD2-ND2 3.12Å; S609-N618 CarbonylContact C-O 3.59Å; S609-N618 WeakPolarHBondContact CA-O 3.37Å; T610-N618 PolarHBondContact N-O 3.47Å; T610-N618 PolarHBondContact O-N 3.36Å; H612-N618 PolarHBondContact NE2-ND2 3.29Å; N618-W620 HydrophobicContact CB-CZ2 3.67Å; N618-L640 HydrophobicContact CB-CD1 3.76Å; N618-A643 WeakPolarHBondContact OD1-CA 3.27Å; N618-A643 WeakPolarHBondContact OD1-CB 3.36Å
619	I	92.8	Very high	80.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.1	173.2	-47.7	-62.4	0	0	0	108.7	V607 S609 V617 M641 F642 W656 I664 W676 M678	V607-I619 HydrophobicContact CG1-CG2 3.61Å; S609-I619 VanDerWaalsContact CB-CD1 3.47Å; V617-I619 HydrophobicContact CG1-CD1 4.49Å; I619-M641 HydrophobicContact CG2-SD 4.45Å; I619-M641 WeakPolarHBondContact O-CA 3.49Å; I619-M641 WeakPolarHBondContact O-CB 3.42Å; I619-M641 PolarHBondContact O-N 3.5Å; I619-F642 HydrophobicContact CB-CB 4.22Å; I619-F642 HydrophobicContact CG1-CB 4.37Å; I619-F642 HydrophobicContact CG1-CD1 4.27Å; I619-F642 PolarHBondContact N-O 2.84Å; I619-F642 PolarHBondContact O-N 3.32Å; I619-W656 HydrophobicContact CD1-CH2 4.09Å; I619-W656 HydrophobicContact CD1-CZ2 3.82Å; I619-W656 HydrophobicContact CG2-CH2 4.04Å; I619-W656 HydrophobicContact CG2-CZ2 4.34Å; I619-I664 HydrophobicContact CD1-CD1 3.54Å; I619-I664 HydrophobicContact CG1-CD1 4.43Å; I619-W676 HydrophobicContact CD1-CH2 4.05Å; I619-W676 HydrophobicContact CG1-CH2 4.09Å; I619-M678 HydrophobicContact CB-CE 3.88Å; I619-M678 HydrophobicContact CG1-CE 3.57Å; I619-M678 HydrophobicContact CG2-CE 3.82Å
620	W	91.9	Very high	77.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.4	-170.7	-58.2	96.6	0	0	0	110.8	I588 T590 V607 F608 T610 N618 P637 Q639 L640	I588-W620 HydrophobicContact CG2-CD2 4.05Å; I588-W620 HydrophobicContact CG2-CE3 3.55Å; I588-W620 HydrophobicContact CG2-CH2 3.8Å; I588-W620 HydrophobicContact CG2-CZ2 4.28Å; I588-W620 HydrophobicContact CG2-CZ3 3.38Å; T590-W620 HydrophobicContact CG2-CH2 4.04Å; T590-W620 HydrophobicContact CG2-CZ2 3.42Å; T590-W620 VanDerWaalsContact CG2-CZ2 3.42Å; V607-W620 VanDerWaalsContact CA-O 3.28Å; V607-W620 WeakPolarHBondContact CA-O 3.49Å; F608-W620 HydrophobicContact CD1-CB 3.86Å; F608-W620 HydrophobicContact CD2-CB 4.36Å; F608-W620 AromaticContact CD2-CD1 3.91Å; F608-W620 HydrophobicContact CD2-CG 4.43Å; F608-W620 HydrophobicContact CE1-CB 3.35Å; F608-W620 HydrophobicContact CE1-CG 4.04Å; F608-W620 HydrophobicContact CE2-CB 3.93Å; F608-W620 AromaticContact CE2-CD1 3.38Å; F608-W620 AromaticContact CE2-CG 3.76Å; F608-W620 HydrophobicContact CE2-CG 3.76Å; F608-W620 HydrophobicContact CG-CB 4.32Å; F608-W620 HydrophobicContact CZ-CB 3.37Å; F608-W620 AromaticContact CZ-CD1 3.65Å; F608-W620 HydrophobicContact CZ-CD2 4.4Å; F608-W620 AromaticContact CZ-CG 3.51Å; F608-W620 HydrophobicContact CZ-CG 3.51Å; F608-W620 PolarHBondContact N-O 3.25Å; F608-W620 PolarHBondContact O-N 2.83Å; T610-W620 PolarHBondContact OG1-NE1 3.33Å; N618-W620 HydrophobicContact CB-CZ2 3.67Å; W620-P637 HydrophobicContact CH2-CG 3.62Å; W620-P637 HydrophobicContact CZ3-CB 4.19Å; W620-P637 HydrophobicContact CZ3-CG 3.43Å; W620-P637 VanDerWaalsContact CZ3-CG 3.43Å; W620-Q639 HydrophobicContact CE3-CB 4.2Å; W620-L640 HydrophobicContact CD2-CD1 4.24Å; W620-L640 HydrophobicContact CE3-CB 4.1Å; W620-L640 HydrophobicContact CE3-CD1 4.14Å; W620-L640 HydrophobicContact CH2-CB 4.26Å; W620-L640 HydrophobicContact CH2-CD1 3.87Å; W620-L640 HydrophobicContact CZ2-CD1 3.94Å; W620-L640 HydrophobicContact CZ3-CB 3.73Å; W620-L640 HydrophobicContact CZ3-CD1 3.98Å; W620-L640 HydrophobicContact CZ3-CG 4.42Å
621	N	90.3	Very high	75.1	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.064	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.5	168.6	-170.3	-24	0	0	0	110.5	L606 G623 K624 Q639 M641 V686	L606-N621 WeakPolarHBondContact O-CA 3.3Å; N621-G623 PolarHBondContact O-N 3.24Å; N621-G623 WeakPolarHBondContact OD1-CA 3.45Å; N621-G623 PolarHBondContact OD1-N 3.41Å; N621-K624 HydrophobicContact CB-CD 4.43Å; N621-K624 HydrophobicContact CB-CG 4.2Å; N621-K624 PolarHBondContact O-N 2.87Å; N621-Q639 PolarHBondContact N-O 2.93Å; N621-M641 HydrophobicContact CB-CG 3.51Å; N621-M641 HydrophobicContact CB-SD 3.53Å; N621-M641 VanDerWaalsContact CB-SD 3.53Å; N621-V686 WeakPolarHBondContact ND2-CG2 3.47Å
622	I	88.2	Confident	72.5	Confident	38 Å²	38	58 Å²	58	20%	0.195	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14	179.1	64	172.1	0	0	0	113.2	L563 I575 I588 W600 L606 F608 K624	L563-I622 HydrophobicContact CD1-CD1 3.94Å; I575-I622 HydrophobicContact CD1-CG2 4.38Å; I575-I622 HydrophobicContact CG1-CG2 4.14Å; I588-I622 HydrophobicContact CD1-CG2 4.34Å; W600-I622 HydrophobicContact CH2-CD1 4.07Å; W600-I622 HydrophobicContact CZ3-CD1 4.22Å; L606-I622 HydrophobicContact CB-CG1 3.82Å; L606-I622 HydrophobicContact CD2-CD1 3.93Å; L606-I622 HydrophobicContact CD2-CG1 3.8Å; L606-I622 HydrophobicContact CG-CG1 4.41Å; L606-I622 WeakPolarHBondContact O-CG1 3.47Å; L606-I622 PolarHBondContact O-N 3.15Å; F608-I622 HydrophobicContact CD1-CG2 4.09Å; F608-I622 HydrophobicContact CE1-CG2 3.57Å; I622-K624 VanDerWaalsContact C-N 3.33Å
623	G	81.4	Confident	70	Confident	47 Å²	47	61.3 Å²	61.3	49%	0.485	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.4	176.6	0	0	0	0	0	114	N621	N621-G623 PolarHBondContact O-N 3.24Å; N621-G623 WeakPolarHBondContact OD1-CA 3.45Å; N621-G623 PolarHBondContact OD1-N 3.41Å
624	K	73	Confident	67.5	Low	76 Å²	76	62.8 Å²	62.8	33%	0.33	40%	0.4	S	S	.	.	S	Bend	trans	-72.8	134.3	172.8	-71.8	-174.4	178.9	-177.6	0	109	N621 I622 F626 T638	N621-K624 HydrophobicContact CB-CD 4.43Å; N621-K624 HydrophobicContact CB-CG 4.2Å; N621-K624 PolarHBondContact O-N 2.87Å; I622-K624 VanDerWaalsContact C-N 3.33Å; K624-F626 PolarHBondContact O-N 3.38Å; K624-T638 VanDerWaalsContact CD-O 3.27Å; K624-T638 WeakPolarHBondContact CD-O 3.3Å
625	P	58.2	Low	65.6	Low	101 Å²	101	66.8 Å²	66.8	66%	0.656	42%	0.415	S	S	*	.			trans	-58.5	139.9	-179.9	23.9	-32.4	0	0	0	110.6	C627 T638	P625-C627 PolarHBondContact O-N 3.07Å; P625-C627 VanDerWaalsContact O-N 3.16Å; P625-T638 PolarHBondContact O-OG1 3.21Å
626	F	54.6	Low	63.9	Low	123 Å²	123	72.2 Å²	72.2	54%	0.539	44%	0.439	S	S	.	.			trans	-62.5	112	162.5	-86	-81.7	0	0	0	107.5	S586 K624 S628 Q639	S586-F626 WeakPolarHBondContact OG-CZ 3.49Å; K624-F626 PolarHBondContact O-N 3.38Å; F626-S628 PolarHBondContact O-N 3.05Å; F626-S628 VanDerWaalsContact O-N 3.15Å; F626-Q639 VanDerWaalsContact CD2-NE2 3.27Å
627	C	43.1	Very low	62.6	Low	72 Å²	72	72.4 Å²	72.4	49%	0.486	44%	0.444	S	S	.	.			trans	-78.3	99.1	163.3	-68.4	0	0	0	0	107.1	P625 E629 T638	P625-C627 PolarHBondContact O-N 3.07Å; P625-C627 VanDerWaalsContact O-N 3.16Å; C627-E629 PolarHBondContact O-N 3.17Å; C627-T638 HydrophobicContact CB-CG2 3.58Å; C627-T638 PolarHBondContact N-OG1 3.07Å
628	S	36	Very low	61.3	Low	98 Å²	98	74.9 Å²	74.9	69%	0.685	46%	0.459	S	S	*	.			trans	-63.6	113.2	161.4	52	0	0	0	0	108.3	F626 A630	F626-S628 PolarHBondContact O-N 3.05Å; F626-S628 VanDerWaalsContact O-N 3.15Å; S628-A630 VanDerWaalsContact C-N 3.29Å; S628-A630 PolarHBondContact O-N 3.32Å
629	E	44	Very low	60.8	Low	188 Å²	188	75.1 Å²	75.1	88%	0.879	46%	0.46	S	S	*	.	S	Bend	trans	67.7	-11	153.7	-54.6	-173.4	166.3	0	0	119.8	C627 N631	C627-E629 PolarHBondContact O-N 3.17Å; E629-N631 PolarHBondContact O-N 3.49Å
630	A	40.2	Very low	60.5	Low	86 Å²	86	76.4 Å²	76.4	71%	0.711	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.4	-174.1	0	0	0	0	0	116.6	S628	S628-A630 VanDerWaalsContact C-N 3.29Å; S628-A630 PolarHBondContact O-N 3.32Å
631	N	38	Very low	60.1	Low	115 Å²	115	77.5 Å²	77.5	62%	0.615	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	62.3	172.9	-80.4	-16.5	0	0	0	110.4	E629 G633 A634	E629-N631 PolarHBondContact O-N 3.49Å; N631-G633 PolarHBondContact O-N 3.18Å; N631-A634 HydrophobicContact CB-CB 4Å; N631-A634 PolarHBondContact O-N 2.9Å
632	A	40.5	Very low	60	Low	108 Å²	108	77.9 Å²	77.9	89%	0.893	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	3.2	173.2	0	0	0	0	0	114.6
633	G	42.4	Very low	60	Low	70 Å²	70	78.2 Å²	78.2	72%	0.722	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-4.2	171.8	0	0	0	0	0	115.4	N631	N631-G633 PolarHBondContact O-N 3.18Å
634	A	42.5	Very low	60.3	Low	60 Å²	60	76.1 Å²	76.1	50%	0.496	46%	0.459	S	S	.	.			trans	-87.9	116.3	176.7	0	0	0	0	0	109.9	N631 F636	N631-A634 HydrophobicContact CB-CB 4Å; N631-A634 PolarHBondContact O-N 2.9Å; A634-F636 PolarHBondContact O-N 2.97Å; A634-F636 VanDerWaalsContact O-N 3.1Å
635	H	51.5	Low	61	Low	171 Å²	171	75.9 Å²	75.9	79%	0.792	46%	0.461	S	S	*	.	S	Bend	trans	-65.6	-9.6	-177.4	-83.6	-80.5	0	0	0	115
636	F	54.7	Low	62.2	Low	114 Å²	114	72 Å²	72	50%	0.5	44%	0.44	S	S	.	.	S	Bend	trans	-127.7	141.7	-173.3	-61	-79.2	0	0	0	113	P591 A634 L640	P591-F636 HydrophobicContact CG-CD1 4.06Å; P591-F636 HydrophobicContact CG-CE1 4.19Å; A634-F636 PolarHBondContact O-N 2.97Å; A634-F636 VanDerWaalsContact O-N 3.1Å; F636-L640 HydrophobicContact CB-CD2 4Å; F636-L640 HydrophobicContact CD1-CD2 3.85Å; F636-L640 HydrophobicContact CG-CD2 4.1Å
637	P	63.7	Low	63.8	Low	42 Å²	42	66.2 Å²	66.2	27%	0.273	42%	0.415	S	S	.	.			trans	-57.6	140.4	173.9	24	-36.5	0	0	0	112.4	W620 Q639 L640	W620-P637 HydrophobicContact CH2-CG 3.62Å; W620-P637 HydrophobicContact CZ3-CB 4.19Å; W620-P637 HydrophobicContact CZ3-CG 3.43Å; W620-P637 VanDerWaalsContact CZ3-CG 3.43Å; P637-Q639 PolarHBondContact O-N 3.3Å; P637-L640 WeakPolarHBondContact O-CB 3.36Å; P637-L640 PolarHBondContact O-N 3.01Å
638	T	67.9	Low	65.9	Low	52 Å²	52	67.6 Å²	67.6	32%	0.319	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.1	-174.6	56.2	0	0	0	0	115.2	K624 P625 C627 L640	K624-T638 VanDerWaalsContact CD-O 3.27Å; K624-T638 WeakPolarHBondContact CD-O 3.3Å; P625-T638 PolarHBondContact O-OG1 3.21Å; C627-T638 HydrophobicContact CB-CG2 3.58Å; C627-T638 PolarHBondContact N-OG1 3.07Å; T638-L640 VanDerWaalsContact C-N 3.34Å
639	Q	81.6	Confident	68.4	Low	4 Å²	4	63.8 Å²	63.8	2%	0.019	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16	179	-68.8	171.7	-8	0	0	113.2	W620 N621 F626 P637 M641	W620-Q639 HydrophobicContact CE3-CB 4.2Å; N621-Q639 PolarHBondContact N-O 2.93Å; F626-Q639 VanDerWaalsContact CD2-NE2 3.27Å; P637-Q639 PolarHBondContact O-N 3.3Å; Q639-M641 PolarHBondContact O-N 3.47Å
640	L	86.6	Confident	70.7	Confident	28 Å²	28	58.7 Å²	58.7	15%	0.147	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	120.2	175.5	-172.7	63	0	0	0	108.8	N618 W620 F636 P637 T638 A643	N618-L640 HydrophobicContact CB-CD1 3.76Å; W620-L640 HydrophobicContact CD2-CD1 4.24Å; W620-L640 HydrophobicContact CE3-CB 4.1Å; W620-L640 HydrophobicContact CE3-CD1 4.14Å; W620-L640 HydrophobicContact CH2-CB 4.26Å; W620-L640 HydrophobicContact CH2-CD1 3.87Å; W620-L640 HydrophobicContact CZ2-CD1 3.94Å; W620-L640 HydrophobicContact CZ3-CB 3.73Å; W620-L640 HydrophobicContact CZ3-CD1 3.98Å; W620-L640 HydrophobicContact CZ3-CG 4.42Å; F636-L640 HydrophobicContact CB-CD2 4Å; F636-L640 HydrophobicContact CD1-CD2 3.85Å; F636-L640 HydrophobicContact CG-CD2 4.1Å; P637-L640 WeakPolarHBondContact O-CB 3.36Å; P637-L640 PolarHBondContact O-N 3.01Å; T638-L640 VanDerWaalsContact C-N 3.34Å; L640-A643 HydrophobicContact CD2-CB 4.37Å
641	M	84.8	Confident	73.2	Confident	23 Å²	23	54.6 Å²	54.6	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-43.8	172	-71.5	-176	65.1	0	0	111.1	V607 I619 N621 Q639 F662 V686	V607-M641 HydrophobicContact CG1-SD 4.39Å; V607-M641 HydrophobicContact CG2-SD 3.93Å; I619-M641 HydrophobicContact CG2-SD 4.45Å; I619-M641 WeakPolarHBondContact O-CA 3.49Å; I619-M641 WeakPolarHBondContact O-CB 3.42Å; I619-M641 PolarHBondContact O-N 3.5Å; N621-M641 HydrophobicContact CB-CG 3.51Å; N621-M641 HydrophobicContact CB-SD 3.53Å; N621-M641 VanDerWaalsContact CB-SD 3.53Å; Q639-M641 PolarHBondContact O-N 3.47Å; M641-F662 HydrophobicContact CE-CE1 4.41Å; M641-V686 HydrophobicContact CE-CB 4.26Å; M641-V686 HydrophobicContact CE-CG1 4.42Å; M641-V686 HydrophobicContact CE-CG2 3.76Å; M641-V686 HydrophobicContact SD-CG2 4.44Å
642	F	86.5	Confident	75.8	Confident	20 Å²	20	49.5 Å²	49.5	9%	0.088	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	138.4	-169.4	-177.1	-98	0	0	0	110	N304 I619 Y644 W676 M678	N304-F642 HydrophobicContact CB-CZ 4.43Å; N304-F642 WeakPolarHBondContact OD1-CZ 3.48Å; I619-F642 HydrophobicContact CB-CB 4.22Å; I619-F642 HydrophobicContact CG1-CB 4.37Å; I619-F642 HydrophobicContact CG1-CD1 4.27Å; I619-F642 PolarHBondContact N-O 2.84Å; I619-F642 PolarHBondContact O-N 3.32Å; F642-Y644 HydrophobicContact CE1-CD2 4.2Å; F642-W676 HydrophobicContact CD1-CH2 4.15Å; F642-W676 AromaticContact CD1-CZ3 3.77Å; F642-W676 HydrophobicContact CD1-CZ3 3.77Å; F642-W676 HydrophobicContact CE1-CE3 4.01Å; F642-W676 AromaticContact CE1-CH2 3.97Å; F642-W676 HydrophobicContact CE1-CH2 3.97Å; F642-W676 AromaticContact CE1-CZ3 3.32Å; F642-W676 HydrophobicContact CE1-CZ3 3.32Å; F642-W676 HydrophobicContact CZ-CZ3 4.31Å; F642-M678 HydrophobicContact CB-CE 4.08Å; F642-M678 HydrophobicContact CD1-CB 4.45Å; F642-M678 HydrophobicContact CD1-CE 4.33Å; F642-M678 HydrophobicContact CD2-CB 4.25Å; F642-M678 HydrophobicContact CE1-CB 4.45Å; F642-M678 HydrophobicContact CE2-CB 4.27Å; F642-M678 HydrophobicContact CG-CB 4.32Å; F642-M678 HydrophobicContact CG-CE 4.33Å; F642-M678 HydrophobicContact CZ-CB 4.34Å
643	A	88	Confident	78.2	Confident	44 Å²	44	44.6 Å²	44.6	36%	0.364	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.2	173.6	0	0	0	0	0	108.6	N618 L640	N618-A643 WeakPolarHBondContact OD1-CA 3.27Å; N618-A643 WeakPolarHBondContact OD1-CB 3.36Å; L640-A643 HydrophobicContact CD2-CB 4.37Å
644	Y	88.9	Confident	80.6	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.3	176.2	-176.7	-103.8	0	0	0	109.7	H616 V617 F642 H674 W676	H616-Y644 WeakPolarHBondContact CA-O 3.34Å; V617-Y644 HydrophobicContact CB-CD1 4.35Å; V617-Y644 HydrophobicContact CG2-CD1 4.44Å; V617-Y644 PolarHBondContact N-O 3.03Å; V617-Y644 WeakPolarHBondContact O-CB 3.46Å; V617-Y644 PolarHBondContact O-N 3.33Å; F642-Y644 HydrophobicContact CE1-CD2 4.2Å; Y644-H674 HydrophobicContact CE1-CB 4.41Å; Y644-H674 AromaticContact CE1-ND1 3.7Å; Y644-H674 AromaticContact CZ-ND1 3.76Å; Y644-H674 PolarHBondContact OH-ND1 3.36Å; Y644-W676 HydrophobicContact CD1-CD2 4.45Å; Y644-W676 AromaticContact CD1-CE2 3.94Å; Y644-W676 HydrophobicContact CD1-CZ2 4.14Å; Y644-W676 AromaticContact CD1-NE1 4Å; Y644-W676 AromaticContact CD2-CD2 3.69Å; Y644-W676 HydrophobicContact CD2-CD2 3.69Å; Y644-W676 AromaticContact CD2-CE2 3.98Å; Y644-W676 AromaticContact CD2-CE3 3.81Å; Y644-W676 HydrophobicContact CD2-CE3 3.81Å; Y644-W676 HydrophobicContact CD2-CG 4.1Å; Y644-W676 HydrophobicContact CD2-CH2 4.43Å; Y644-W676 HydrophobicContact CD2-CZ2 4.35Å; Y644-W676 HydrophobicContact CD2-CZ3 4.2Å; Y644-W676 HydrophobicContact CE1-CG 4.43Å; Y644-W676 AromaticContact CE1-NE1 3.91Å; Y644-W676 HydrophobicContact CE2-CB 4.03Å; Y644-W676 AromaticContact CE2-CD2 3.84Å; Y644-W676 HydrophobicContact CE2-CD2 3.84Å; Y644-W676 HydrophobicContact CE2-CE3 4.28Å; Y644-W676 AromaticContact CE2-CG 3.72Å; Y644-W676 HydrophobicContact CE2-CG 3.72Å; Y644-W676 HydrophobicContact CG-CD2 4.01Å; Y644-W676 AromaticContact CG-CE2 3.79Å; Y644-W676 HydrophobicContact CG-CE3 4.27Å; Y644-W676 HydrophobicContact CG-CH2 4.11Å; Y644-W676 AromaticContact CG-CZ2 3.84Å; Y644-W676 HydrophobicContact CG-CZ2 3.84Å; Y644-W676 HydrophobicContact CG-CZ3 4.33Å; Y644-W676 AromaticContact CZ-CD1 3.82Å; Y644-W676 AromaticContact CZ-CG 3.9Å
645	D	86.6	Confident	83.1	Confident	71 Å²	71	39.2 Å²	39.2	38%	0.38	21%	0.213	S	C	.	.			trans	-112.1	44.4	-178.7	-173.5	26.1	0	0	0	111.8	N296 H616	N296-D645 PolarHBondContact ND2-O 2.86Å; N296-D645 VanDerWaalsContact ND2-O 3.16Å; H616-D645 IonicContact CE1-OD1 3.96Å; H616-D645 PolarHBondContact CE1-OD1 3.2Å; H616-D645 IonicContact CE1-OD2 3.8Å; H616-D645 IonicContact ND1-OD1 2.64Å; H616-D645 PolarHBondContact ND1-OD1 3.19Å; H616-D645 IonicContact NE2-OD1 3.06Å
646	G	84.2	Confident	85	Confident	20 Å²	20	31.5 Å²	31.5	21%	0.206	18%	0.176	C	C	.	.			trans	-86.5	-37.4	-178.8	0	0	0	0	0	114	H674	G646-H674 PolarHBondContact O-CE1 3.35Å
647	H	88.3	Confident	86.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	15%	0.153	C	C	.	.			trans	-81.3	148.5	-175.5	-67.9	-65.5	0	0	0	111.2	G615 S666 S668 D670 H674	G615-H647 WeakPolarHBondContact O-CB 3.34Å; H647-S666 PolarHBondContact CE1-O 3.48Å; H647-S666 WeakPolarHBondContact NE2-CB 3.49Å; H647-S666 PolarHBondContact NE2-OG 3.04Å; H647-S668 VanDerWaalsContact ND1-CB 3.3Å; H647-S668 WeakPolarHBondContact ND1-CB 3.16Å; H647-D670 WeakPolarHBondContact CA-OD2 3.17Å; H647-D670 IonicContact ND1-OD1 2.97Å; H647-D670 IonicContact ND1-OD2 3.53Å; H647-H674 AromaticContact CE1-CE1 3.9Å; H647-H674 AromaticContact CE1-CG 3.48Å; H647-H674 VanDerWaalsContact CE1-CG 3.48Å; H647-H674 AromaticContact CE1-ND1 3.38Å; H647-H674 PolarHBondContact CE1-ND1 3.11Å; H647-H674 AromaticContact CG-ND1 3.99Å; H647-H674 AromaticContact ND1-CE1 3.65Å; H647-H674 AromaticContact ND1-CG 4Å; H647-H674 AromaticContact ND1-ND1 3.52Å; H647-H674 AromaticContact NE2-CG 3.96Å; H647-H674 AromaticContact NE2-ND1 3.76Å
648	Q	87.2	Confident	87.5	Confident	100 Å²	100	27.4 Å²	27.4	47%	0.467	16%	0.155	S	C	.	.	S	Bend	trans	-103.8	-1.5	179	-60.7	-60.3	-61.7	0	0	113.2	D670	Q648-D670 HydrophobicContact CB-CB 4.25Å; Q648-D670 PolarHBondContact N-OD2 3.43Å
649	G	88	Confident	88.1	Confident	18 Å²	18	30.5 Å²	30.5	19%	0.186	16%	0.164	C	C	.	.	S	Bend	trans	-140.3	177.4	177.5	0	0	0	0	0	112.5	G615 V651 S668	G615-G649 WeakPolarHBondContact CA-O 3.44Å; G649-V651 PolarHBondContact O-N 3.36Å; G649-S668 WeakPolarHBondContact CA-OG 3.26Å; G649-S668 PolarHBondContact N-OG 3.5Å; G649-S668 PolarHBondContact O-OG 3.02Å
650	E	92.2	Very high	88	Confident	81 Å²	81	32.4 Å²	32.4	38%	0.379	17%	0.174	S	C	.	.			trans	-50.6	130.2	179.7	169.8	175.4	178	0	0	112.9	T596 S613 T652 S668 N669	T596-E650 HydrophobicContact CG2-CG 4.02Å; T596-E650 WeakPolarHBondContact CG2-OE1 3.39Å; S613-E650 VanDerWaalsContact O-CA 3.26Å; S613-E650 WeakPolarHBondContact O-CA 3.43Å; S613-E650 WeakPolarHBondContact O-CB 3.19Å; S613-E650 PolarHBondContact O-N 3.08Å; E650-T652 PolarHBondContact O-N 3.01Å; E650-S668 CarbonylContact O-C 3.59Å; E650-S668 WeakPolarHBondContact O-CA 3.43Å; E650-S668 PolarHBondContact O-OG 3.3Å; E650-N669 PolarHBondContact O-N 3.47Å
651	V	93.2	Very high	87.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.9	176.3	-178.4	0	0	0	0	109.5	T596 H612 V617 G649 I654 T667	T596-V651 PolarHBondContact OG1-O 2.99Å; H612-V651 PolarHBondContact O-N 3.24Å; V617-V651 HydrophobicContact CG2-CB 4.5Å; V617-V651 HydrophobicContact CG2-CG1 3.98Å; V617-V651 HydrophobicContact CG2-CG2 3.78Å; G649-V651 PolarHBondContact O-N 3.36Å; V651-I654 HydrophobicContact CG1-CD1 4.13Å; V651-I654 HydrophobicContact CG1-CG1 3.82Å; V651-T667 CarbonylContact C-O 3.47Å; V651-T667 WeakPolarHBondContact CA-O 3.31Å
652	T	91.9	Very high	87.6	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-24.5	-177.4	57.7	0	0	0	0	112.9	Y320 L321 R597 E650 T667 N669	Y320-T652 WeakPolarHBondContact O-CB 3.45Å; Y320-T652 PolarHBondContact O-OG1 3.18Å; L321-T652 HydrophobicContact CD2-CG2 4.34Å; R597-T652 VanDerWaalsContact CZ-O 3.26Å; R597-T652 PolarHBondContact NE-O 3.01Å; R597-T652 PolarHBondContact NH2-O 3.28Å; R597-T652 VanDerWaalsContact NH2-O 3.1Å; E650-T652 PolarHBondContact O-N 3.01Å; T652-T667 PolarHBondContact N-O 3.23Å; T652-T667 PolarHBondContact OG1-O 3.02Å; T652-T667 PolarHBondContact OG1-OG1 3.13Å; T652-N669 WeakPolarHBondContact CG2-OD1 3.34Å
653	G	91.4	Very high	87.6	Confident	6 Å²	6	31.5 Å²	31.5	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	141.7	-173.7	0	0	0	0	0	112.6	S666 T667	G653-S666 VanDerWaalsContact O-CA 3.24Å; G653-S666 WeakPolarHBondContact O-CA 3.4Å; G653-T667 WeakPolarHBondContact CA-OG1 3.24Å; G653-T667 PolarHBondContact N-O 3.47Å; G653-T667 PolarHBondContact N-OG1 3.42Å; G653-T667 PolarHBondContact O-N 3Å
654	I	93.8	Very high	87.6	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141	170.2	-61.4	167.8	0	0	0	106.5	R597 E599 G611 V617 V651 I664 A665	R597-I654 HydrophobicContact CB-CD1 4.31Å; E599-I654 VanDerWaalsContact OE2-C 3.32Å; E599-I654 VanDerWaalsContact OE2-O 3.06Å; G611-I654 VanDerWaalsContact CA-CD1 3.42Å; V617-I654 HydrophobicContact CG1-CD1 3.67Å; V617-I654 HydrophobicContact CG1-CG1 4.32Å; V617-I654 HydrophobicContact CG2-CD1 4.18Å; V617-I654 HydrophobicContact CG2-CG1 4.41Å; V651-I654 HydrophobicContact CG1-CD1 4.13Å; V651-I654 HydrophobicContact CG1-CG1 3.82Å; I654-I664 HydrophobicContact CG2-CG2 3.78Å; I654-A665 CarbonylContact C-O 3.54Å; I654-A665 WeakPolarHBondContact CA-O 3.4Å
655	S	93.2	Very high	87.7	Confident	10 Å²	10	29.2 Å²	29.2	7%	0.07	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	118.4	174	-166.2	0	0	0	0	109.3	I325 E599 A665	I325-S655 WeakPolarHBondContact CG2-OG 3.4Å; I325-S655 PolarHBondContact N-OG 3.26Å; I325-S655 VanDerWaalsContact N-OG 3.11Å; E599-S655 WeakPolarHBondContact OE2-CA 3.28Å; E599-S655 PolarHBondContact OE2-N 2.94Å; S655-A665 PolarHBondContact N-O 3.31Å; S655-A665 PolarHBondContact O-N 3.45Å
656	W	92.1	Very high	87.9	Confident	9 Å²	9	25.9 Å²	25.9	3%	0.034	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.2	168.8	-70	79.4	0	0	0	110.9	I325 E599 P602 V607 S609 I619 F662 I664	I325-W656 VanDerWaalsContact CG2-O 3.3Å; I325-W656 WeakPolarHBondContact CG2-O 3.33Å; E599-W656 PolarHBondContact O-NE1 3.15Å; E599-W656 PolarHBondContact OE2-N 3.21Å; E599-W656 VanDerWaalsContact OE2-N 3.15Å; P602-W656 HydrophobicContact CG-CB 4.13Å; V607-W656 HydrophobicContact CG1-CH2 3.84Å; V607-W656 HydrophobicContact CG1-CZ2 4.3Å; S609-W656 PolarHBondContact OG-NE1 3.14Å; I619-W656 HydrophobicContact CD1-CH2 4.09Å; I619-W656 HydrophobicContact CD1-CZ2 3.82Å; I619-W656 HydrophobicContact CG2-CH2 4.04Å; I619-W656 HydrophobicContact CG2-CZ2 4.34Å; W656-F662 HydrophobicContact CH2-CD1 4.07Å; W656-F662 HydrophobicContact CH2-CE1 4.37Å; W656-F662 AromaticContact CZ3-CD1 3.78Å; W656-F662 HydrophobicContact CZ3-CD1 3.78Å; W656-F662 HydrophobicContact CZ3-CE1 4.34Å; W656-F662 HydrophobicContact CZ3-CG 4.4Å; W656-I664 HydrophobicContact CD2-CD1 4.06Å; W656-I664 HydrophobicContact CD2-CG1 3.91Å; W656-I664 HydrophobicContact CE3-CD1 3.97Å; W656-I664 HydrophobicContact CE3-CG1 3.79Å; W656-I664 HydrophobicContact CG-CG1 4.47Å; W656-I664 HydrophobicContact CH2-CD1 3.74Å; W656-I664 HydrophobicContact CH2-CG1 4.46Å; W656-I664 HydrophobicContact CZ2-CD1 3.81Å; W656-I664 HydrophobicContact CZ3-CD1 3.83Å; W656-I664 HydrophobicContact CZ3-CG1 4.09Å
657	H	87.9	Confident	88.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.			trans	-74.4	130	169.8	-167.2	-73.1	0	0	0	110.9	I325 H603 K659 L660 L663	I325-H657 HydrophobicContact CD1-CB 4.23Å; I325-H657 HydrophobicContact CG2-CB 4.12Å; H603-H657 PolarHBondContact NE2-O 3.37Å; H657-K659 PolarHBondContact ND1-N 2.94Å; H657-K659 VanDerWaalsContact ND1-N 3.13Å; H657-L660 HydrophobicContact CB-CB 4.4Å; H657-L660 PolarHBondContact ND1-N 3.05Å; H657-L663 HydrophobicContact CB-CB 3.92Å; H657-L663 HydrophobicContact CB-CD2 4.02Å; H657-L663 HydrophobicContact CB-CG 4.17Å; H657-L663 WeakPolarHBondContact CB-O 3.46Å; H657-L663 PolarHBondContact N-O 3.3Å
658	H	83.2	Confident	88.4	Confident	70 Å²	70	24.9 Å²	24.9	32%	0.324	13%	0.127	S	C	.	.	S	Bend	trans	-75.3	-27	-171	77.6	103	0	0	0	114.9	D327 H603	D327-H658 WeakPolarHBondContact CA-NE2 3.27Å; D327-H658 IonicContact OD1-CD2 2.79Å; D327-H658 IonicContact OD1-CE1 3.72Å; D327-H658 PolarHBondContact OD1-CE1 2.9Å; D327-H658 IonicContact OD1-ND1 3.05Å; D327-H658 IonicContact OD1-NE2 2.67Å; D327-H658 PolarHBondContact OD1-NE2 2.9Å; D327-H658 IonicContact OD2-CE1 3.59Å; D327-H658 PolarHBondContact OD2-CE1 2.88Å; D327-H658 IonicContact OD2-NE2 3.68Å; D327-H658 PolarHBondContact OD2-NE2 3.13Å; H603-H658 PolarHBondContact CE1-O 3.46Å; H603-H658 PolarHBondContact NE2-O 2.88Å
659	K	79.7	Confident	88.4	Confident	118 Å²	118	23.1 Å²	23.1	51%	0.513	12%	0.121	S	C	.	.	S	Bend	trans	-100.2	-50.2	176.6	-83.3	159.6	179.8	157.8	0	113.9	D327 H603 H657 P661	D327-K659 IonicContact OD2-NZ 3.47Å; D327-K659 PolarHBondContact OD2-NZ 3.18Å; H603-K659 VanDerWaalsContact CE1-C 3.44Å; H603-K659 PolarHBondContact CE1-O 3.27Å; H657-K659 PolarHBondContact ND1-N 2.94Å; H657-K659 VanDerWaalsContact ND1-N 3.13Å; K659-P661 WeakPolarHBondContact O-CD 3.47Å
660	L	79.9	Confident	88.2	Confident	43 Å²	43	23.5 Å²	23.5	23%	0.225	12%	0.119	C	C	.	.	S	Bend	trans	-78.5	119.7	-179.8	-60.5	171.6	0	0	0	111.9	L340 L368 H603 H657 L663	L340-L660 HydrophobicContact CD2-CD1 3.83Å; L368-L660 HydrophobicContact CD1-CD1 3.89Å; L368-L660 HydrophobicContact CD2-CD1 4.09Å; H603-L660 PolarHBondContact NE2-O 3.28Å; H657-L660 HydrophobicContact CB-CB 4.4Å; H657-L660 PolarHBondContact ND1-N 3.05Å; L660-L663 HydrophobicContact CB-CB 4.09Å; L660-L663 HydrophobicContact CB-CD2 4.14Å; L660-L663 HydrophobicContact CD1-CD2 3.63Å
661	P	79.8	Confident	87.7	Confident	43 Å²	43	21.1 Å²	21.1	28%	0.279	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	137.7	179.3	-22.7	34.4	0	0	0	113	K659 L663 Q677	K659-P661 WeakPolarHBondContact O-CD 3.47Å; P661-L663 PolarHBondContact O-N 2.62Å; P661-Q677 PolarHBondContact O-NE2 2.66Å
662	F	83.5	Confident	87.2	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.018	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	7.8	174.9	-63.8	-80.8	0	0	0	116.9	V607 M641 W656 Q677 M678 Y683 L687	V607-F662 HydrophobicContact CG1-CE1 4.14Å; M641-F662 HydrophobicContact CE-CE1 4.41Å; W656-F662 HydrophobicContact CH2-CD1 4.07Å; W656-F662 HydrophobicContact CH2-CE1 4.37Å; W656-F662 AromaticContact CZ3-CD1 3.78Å; W656-F662 HydrophobicContact CZ3-CD1 3.78Å; W656-F662 HydrophobicContact CZ3-CE1 4.34Å; W656-F662 HydrophobicContact CZ3-CG 4.4Å; F662-Q677 HydrophobicContact CB-CG 4.39Å; F662-M678 HydrophobicContact CB-CG 3.85Å; F662-M678 HydrophobicContact CB-SD 4.31Å; F662-M678 HydrophobicContact CD1-CE 3.54Å; F662-M678 HydrophobicContact CD1-CG 4Å; F662-M678 HydrophobicContact CD1-SD 3.32Å; F662-M678 WeakPolarHBondContact CD1-SD 3.45Å; F662-M678 HydrophobicContact CE1-CE 4.04Å; F662-M678 HydrophobicContact CE1-SD 3.68Å; F662-M678 HydrophobicContact CG-CE 4.47Å; F662-M678 HydrophobicContact CG-CG 4.08Å; F662-M678 HydrophobicContact CG-SD 3.92Å; F662-Y683 HydrophobicContact CB-CE1 4.41Å; F662-Y683 HydrophobicContact CD1-CG 4.47Å; F662-Y683 HydrophobicContact CD2-CD1 4.24Å; F662-Y683 AromaticContact CD2-CD2 3.28Å; F662-Y683 HydrophobicContact CD2-CD2 3.28Å; F662-Y683 HydrophobicContact CD2-CE1 4.35Å; F662-Y683 AromaticContact CD2-CE2 3.45Å; F662-Y683 HydrophobicContact CD2-CE2 3.45Å; F662-Y683 VanDerWaalsContact CD2-CE2 3.45Å; F662-Y683 AromaticContact CD2-CG 3.69Å; F662-Y683 HydrophobicContact CD2-CG 3.69Å; F662-Y683 AromaticContact CD2-CZ 3.99Å; F662-Y683 HydrophobicContact CE1-CG 4.38Å; F662-Y683 AromaticContact CE2-CD2 3.21Å; F662-Y683 HydrophobicContact CE2-CD2 3.21Å; F662-Y683 AromaticContact CE2-CE2 3.86Å; F662-Y683 HydrophobicContact CE2-CE2 3.86Å; F662-Y683 AromaticContact CE2-CG 3.61Å; F662-Y683 HydrophobicContact CE2-CG 3.61Å; F662-Y683 HydrophobicContact CG-CD1 4.32Å; F662-Y683 HydrophobicContact CG-CD2 4.14Å; F662-Y683 HydrophobicContact CG-CE1 4.43Å; F662-Y683 HydrophobicContact CG-CE2 4.28Å; F662-Y683 HydrophobicContact CG-CG 4.13Å; F662-Y683 HydrophobicContact CZ-CD2 4Å; F662-Y683 AromaticContact CZ-CG 3.96Å; F662-Y683 HydrophobicContact CZ-CG 3.96Å; F662-L687 HydrophobicContact CE2-CD2 4.29Å
663	L	85.7	Confident	86.9	Confident	6 Å²	6	23.7 Å²	23.7	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.2	167.1	-176.1	69.7	0	0	0	109	I325 L340 L368 H657 L660 P661 I675 Q677	I325-L663 HydrophobicContact CD1-CD2 4.41Å; L340-L663 HydrophobicContact CD1-CD2 3.7Å; L340-L663 HydrophobicContact CD2-CD2 4.41Å; L368-L663 HydrophobicContact CD2-CD1 4.36Å; L368-L663 HydrophobicContact CD2-CD2 4.2Å; H657-L663 HydrophobicContact CB-CB 3.92Å; H657-L663 HydrophobicContact CB-CD2 4.02Å; H657-L663 HydrophobicContact CB-CG 4.17Å; H657-L663 WeakPolarHBondContact CB-O 3.46Å; H657-L663 PolarHBondContact N-O 3.3Å; L660-L663 HydrophobicContact CB-CB 4.09Å; L660-L663 HydrophobicContact CB-CD2 4.14Å; L660-L663 HydrophobicContact CD1-CD2 3.63Å; P661-L663 PolarHBondContact O-N 2.62Å; L663-I675 HydrophobicContact CD1-CG2 3.71Å; L663-I675 HydrophobicContact CG-CG2 4.38Å; L663-Q677 HydrophobicContact CD1-CB 4.38Å
664	I	90	Very high	86.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141	-173.9	-61	173.7	0	0	0	108.7	I619 I654 W656 I675 W676	I619-I664 HydrophobicContact CD1-CD1 3.54Å; I619-I664 HydrophobicContact CG1-CD1 4.43Å; I654-I664 HydrophobicContact CG2-CG2 3.78Å; W656-I664 HydrophobicContact CD2-CD1 4.06Å; W656-I664 HydrophobicContact CD2-CG1 3.91Å; W656-I664 HydrophobicContact CE3-CD1 3.97Å; W656-I664 HydrophobicContact CE3-CG1 3.79Å; W656-I664 HydrophobicContact CG-CG1 4.47Å; W656-I664 HydrophobicContact CH2-CD1 3.74Å; W656-I664 HydrophobicContact CH2-CG1 4.46Å; W656-I664 HydrophobicContact CZ2-CD1 3.81Å; W656-I664 HydrophobicContact CZ3-CD1 3.83Å; W656-I664 HydrophobicContact CZ3-CG1 4.09Å; I664-I675 WeakPolarHBondContact O-CA 3.41Å; I664-W676 HydrophobicContact CB-CD2 4.42Å; I664-W676 HydrophobicContact CB-CZ2 4.06Å; I664-W676 HydrophobicContact CD1-CH2 3.76Å; I664-W676 HydrophobicContact CD1-CZ2 3.99Å; I664-W676 HydrophobicContact CD1-CZ3 4.23Å; I664-W676 HydrophobicContact CG2-CZ2 3.89Å; I664-W676 PolarHBondContact N-O 3.2Å; I664-W676 PolarHBondContact O-N 3.08Å
665	A	90.2	Very high	86.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.9	166.9	0	0	0	0	0	109.9	I323 I325 L342 I654 S655 H674 I675	I323-A665 HydrophobicContact CD1-CB 3.57Å; I323-A665 HydrophobicContact CG1-CB 4.22Å; I325-A665 HydrophobicContact CB-CB 4.41Å; I325-A665 HydrophobicContact CD1-CB 4.18Å; L342-A665 HydrophobicContact CD1-CB 3.88Å; I654-A665 CarbonylContact C-O 3.54Å; I654-A665 WeakPolarHBondContact CA-O 3.4Å; S655-A665 PolarHBondContact N-O 3.31Å; S655-A665 PolarHBondContact O-N 3.45Å; A665-H674 CarbonylContact C-O 3.55Å; A665-H674 VanDerWaalsContact CA-O 3.26Å; A665-H674 WeakPolarHBondContact CA-O 3.33Å; A665-I675 HydrophobicContact CB-CG1 4.06Å
666	S	91.2	Very high	86	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.2	178.5	52.1	0	0	0	0	112.2	H647 G653 H674 W676	H647-S666 PolarHBondContact CE1-O 3.48Å; H647-S666 WeakPolarHBondContact NE2-CB 3.49Å; H647-S666 PolarHBondContact NE2-OG 3.04Å; G653-S666 VanDerWaalsContact O-CA 3.24Å; G653-S666 WeakPolarHBondContact O-CA 3.4Å; S666-H674 PolarHBondContact N-O 3.22Å; S666-H674 PolarHBondContact O-N 3.39Å; S666-W676 PolarHBondContact OG-NE1 3.26Å; S666-W676 VanDerWaalsContact OG-NE1 3.13Å
667	T	91.2	Very high	85.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.7	176	53.3	0	0	0	0	110.3	I323 V344 V651 T652 G653 V673	I323-T667 HydrophobicContact CB-CG2 3.74Å; I323-T667 HydrophobicContact CD1-CG2 3.51Å; I323-T667 HydrophobicContact CG1-CG2 4.18Å; I323-T667 HydrophobicContact CG2-CG2 4.27Å; V344-T667 HydrophobicContact CG1-CG2 3.9Å; V651-T667 CarbonylContact C-O 3.47Å; V651-T667 WeakPolarHBondContact CA-O 3.31Å; T652-T667 PolarHBondContact N-O 3.23Å; T652-T667 PolarHBondContact OG1-O 3.02Å; T652-T667 PolarHBondContact OG1-OG1 3.13Å; G653-T667 WeakPolarHBondContact CA-OG1 3.24Å; G653-T667 PolarHBondContact N-O 3.47Å; G653-T667 PolarHBondContact N-OG1 3.42Å; G653-T667 PolarHBondContact O-N 3Å; T667-V673 HydrophobicContact CG2-CG1 4.14Å; T667-V673 HydrophobicContact CG2-CG2 4.08Å
668	S	90.2	Very high	85	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	166.2	176.9	169	0	0	0	0	111.2	H647 G649 E650 D670	H647-S668 VanDerWaalsContact ND1-CB 3.3Å; H647-S668 WeakPolarHBondContact ND1-CB 3.16Å; G649-S668 WeakPolarHBondContact CA-OG 3.26Å; G649-S668 PolarHBondContact N-OG 3.5Å; G649-S668 PolarHBondContact O-OG 3.02Å; E650-S668 CarbonylContact O-C 3.59Å; E650-S668 WeakPolarHBondContact O-CA 3.43Å; E650-S668 PolarHBondContact O-OG 3.3Å; S668-D670 VanDerWaalsContact CB-OD1 3.27Å; S668-D670 WeakPolarHBondContact CB-OD1 3.41Å; S668-D670 PolarHBondContact O-N 2.84Å; S668-D670 PolarHBondContact OG-N 3.38Å; S668-D670 PolarHBondContact OG-OD1 3.13Å
669	N	87.7	Confident	84.4	Confident	64 Å²	64	20.7 Å²	20.7	34%	0.342	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.5	168.9	-75.3	-21.2	0	0	0	113.7	T319 E650 T652 E671	T319-N669 HydrophobicContact CG2-CB 4.11Å; T319-N669 WeakPolarHBondContact CG2-OD1 3.25Å; E650-N669 PolarHBondContact O-N 3.47Å; T652-N669 WeakPolarHBondContact CG2-OD1 3.34Å; N669-E671 PolarHBondContact O-N 3.48Å
670	D	84.3	Confident	83.8	Confident	25 Å²	25	17.4 Å²	17.4	13%	0.134	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.3	176.4	68.4	5	0	0	0	115	H647 Q648 S668 Y672	H647-D670 WeakPolarHBondContact CA-OD2 3.17Å; H647-D670 IonicContact ND1-OD1 2.97Å; H647-D670 IonicContact ND1-OD2 3.53Å; Q648-D670 HydrophobicContact CB-CB 4.25Å; Q648-D670 PolarHBondContact N-OD2 3.43Å; S668-D670 VanDerWaalsContact CB-OD1 3.27Å; S668-D670 WeakPolarHBondContact CB-OD1 3.41Å; S668-D670 PolarHBondContact O-N 2.84Å; S668-D670 PolarHBondContact OG-N 3.38Å; S668-D670 PolarHBondContact OG-OD1 3.13Å; D670-Y672 HydrophobicContact CB-CD2 4.3Å; D670-Y672 WeakPolarHBondContact O-CD2 3.16Å; D670-Y672 WeakPolarHBondContact O-CE2 3.4Å; D670-Y672 PolarHBondContact O-N 3Å; D670-Y672 WeakPolarHBondContact OD1-CB 3.45Å; D670-Y672 PolarHBondContact OD1-N 2.87Å
671	E	82.2	Confident	83.2	Confident	32 Å²	32	21.4 Å²	21.4	15%	0.15	11%	0.111	C	C	.	.	S	Bend	trans	72.5	3.9	-178.6	-49.4	159.2	-167.7	0	0	115.1	R311 F317 N669	R311-E671 IonicContact CZ-OE2 3.98Å; R311-E671 IonicContact NE-OE2 3.39Å; R311-E671 IonicContact NH2-OE2 3.84Å; R311-E671 PolarHBondContact NH2-OE2 3.48Å; F317-E671 WeakPolarHBondContact CB-OE1 3.45Å; F317-E671 WeakPolarHBondContact CD1-OE1 3.39Å; F317-E671 VanDerWaalsContact CD1-OE2 3.26Å; F317-E671 WeakPolarHBondContact CD1-OE2 3.23Å; N669-E671 PolarHBondContact O-N 3.48Å
672	Y	83.2	Confident	82.7	Confident	57 Å²	57	21.3 Å²	21.3	22%	0.224	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.6	178.1	-69	-94.8	0	0	0	112	R311 D670 H674	R311-Y672 HydrophobicContact CB-CD1 3.9Å; R311-Y672 HydrophobicContact CB-CE1 3.51Å; R311-Y672 HydrophobicContact CG-CD1 4.23Å; R311-Y672 HydrophobicContact CG-CE1 3.8Å; R311-Y672 HydrophobicContact CG-CE2 4.4Å; D670-Y672 HydrophobicContact CB-CD2 4.3Å; D670-Y672 WeakPolarHBondContact O-CD2 3.16Å; D670-Y672 WeakPolarHBondContact O-CE2 3.4Å; D670-Y672 PolarHBondContact O-N 3Å; D670-Y672 WeakPolarHBondContact OD1-CB 3.45Å; D670-Y672 PolarHBondContact OD1-N 2.87Å; Y672-H674 WeakPolarHBondContact CB-NE2 3.43Å
673	V	85.5	Confident	82.1	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.024	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.9	167	-171.9	0	0	0	0	107.9	K310 Y320 I323 L342 V344 T667	K310-V673 PolarHBondContact N-O 3.45Å; K310-V673 PolarHBondContact O-N 2.88Å; K310-V673 VanDerWaalsContact O-N 3.14Å; Y320-V673 HydrophobicContact CD2-CG2 3.6Å; Y320-V673 HydrophobicContact CE2-CG2 3.8Å; Y320-V673 HydrophobicContact CG-CG2 4.17Å; I323-V673 HydrophobicContact CD1-CG1 3.71Å; L342-V673 HydrophobicContact CD2-CG1 3.76Å; V344-V673 HydrophobicContact CG1-CG2 3.98Å; V344-V673 HydrophobicContact CG2-CG1 4.36Å; V344-V673 HydrophobicContact CG2-CG2 4.26Å; T667-V673 HydrophobicContact CG2-CG1 4.14Å; T667-V673 HydrophobicContact CG2-CG2 4.08Å
674	H	87	Confident	81.2	Confident	10 Å²	10	25.6 Å²	25.6	5%	0.046	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.1	-179.6	-66.2	178	0	0	0	109.6	C308 T309 Y644 G646 H647 A665 S666 Y672	C308-H674 WeakPolarHBondContact O-CA 3.13Å; T309-H674 WeakPolarHBondContact CG2-CD2 3.29Å; T309-H674 VanDerWaalsContact CG2-NE2 3.35Å; T309-H674 WeakPolarHBondContact CG2-NE2 3.44Å; Y644-H674 HydrophobicContact CE1-CB 4.41Å; Y644-H674 AromaticContact CE1-ND1 3.7Å; Y644-H674 AromaticContact CZ-ND1 3.76Å; Y644-H674 PolarHBondContact OH-ND1 3.36Å; G646-H674 PolarHBondContact O-CE1 3.35Å; H647-H674 AromaticContact CE1-CE1 3.9Å; H647-H674 AromaticContact CE1-CG 3.48Å; H647-H674 VanDerWaalsContact CE1-CG 3.48Å; H647-H674 AromaticContact CE1-ND1 3.38Å; H647-H674 PolarHBondContact CE1-ND1 3.11Å; H647-H674 AromaticContact CG-ND1 3.99Å; H647-H674 AromaticContact ND1-CE1 3.65Å; H647-H674 AromaticContact ND1-CG 4Å; H647-H674 AromaticContact ND1-ND1 3.52Å; H647-H674 AromaticContact NE2-CG 3.96Å; H647-H674 AromaticContact NE2-ND1 3.76Å; A665-H674 CarbonylContact C-O 3.55Å; A665-H674 VanDerWaalsContact CA-O 3.26Å; A665-H674 WeakPolarHBondContact CA-O 3.33Å; S666-H674 PolarHBondContact N-O 3.22Å; S666-H674 PolarHBondContact O-N 3.39Å; Y672-H674 WeakPolarHBondContact CB-NE2 3.43Å
675	I	85.6	Confident	80.1	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125	164.7	-64.2	175.3	0	0	0	106.1	P307 C308 L342 V361 F389 L663 I664 A665	P307-I675 CarbonylContact C-O 3.59Å; C308-I675 HydrophobicContact CB-CB 4.33Å; C308-I675 PolarHBondContact N-O 2.91Å; C308-I675 PolarHBondContact O-N 3.42Å; L342-I675 HydrophobicContact CD2-CD1 4.07Å; V361-I675 HydrophobicContact CB-CD1 4.18Å; V361-I675 HydrophobicContact CG1-CD1 3.91Å; V361-I675 HydrophobicContact CG2-CD1 3.78Å; F389-I675 HydrophobicContact CE1-CD1 3.77Å; F389-I675 HydrophobicContact CE1-CG1 4.45Å; F389-I675 HydrophobicContact CZ-CD1 3.83Å; F389-I675 HydrophobicContact CZ-CG1 4.27Å; L663-I675 HydrophobicContact CD1-CG2 3.71Å; L663-I675 HydrophobicContact CG-CG2 4.38Å; I664-I675 WeakPolarHBondContact O-CA 3.41Å; A665-I675 HydrophobicContact CB-CG1 4.06Å
676	W	85.4	Confident	78.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.4	-173.4	57	-81.4	0	0	0	110.7	P307 V617 I619 F642 Y644 I664 S666	P307-W676 HydrophobicContact CB-CB 4.31Å; V617-W676 HydrophobicContact CB-CZ2 4.08Å; V617-W676 HydrophobicContact CG1-CH2 4.32Å; V617-W676 HydrophobicContact CG1-CZ2 3.81Å; I619-W676 HydrophobicContact CD1-CH2 4.05Å; I619-W676 HydrophobicContact CG1-CH2 4.09Å; F642-W676 HydrophobicContact CD1-CH2 4.15Å; F642-W676 AromaticContact CD1-CZ3 3.77Å; F642-W676 HydrophobicContact CD1-CZ3 3.77Å; F642-W676 HydrophobicContact CE1-CE3 4.01Å; F642-W676 AromaticContact CE1-CH2 3.97Å; F642-W676 HydrophobicContact CE1-CH2 3.97Å; F642-W676 AromaticContact CE1-CZ3 3.32Å; F642-W676 HydrophobicContact CE1-CZ3 3.32Å; F642-W676 HydrophobicContact CZ-CZ3 4.31Å; Y644-W676 HydrophobicContact CD1-CD2 4.45Å; Y644-W676 AromaticContact CD1-CE2 3.94Å; Y644-W676 HydrophobicContact CD1-CZ2 4.14Å; Y644-W676 AromaticContact CD1-NE1 4Å; Y644-W676 AromaticContact CD2-CD2 3.69Å; Y644-W676 HydrophobicContact CD2-CD2 3.69Å; Y644-W676 AromaticContact CD2-CE2 3.98Å; Y644-W676 AromaticContact CD2-CE3 3.81Å; Y644-W676 HydrophobicContact CD2-CE3 3.81Å; Y644-W676 HydrophobicContact CD2-CG 4.1Å; Y644-W676 HydrophobicContact CD2-CH2 4.43Å; Y644-W676 HydrophobicContact CD2-CZ2 4.35Å; Y644-W676 HydrophobicContact CD2-CZ3 4.2Å; Y644-W676 HydrophobicContact CE1-CG 4.43Å; Y644-W676 AromaticContact CE1-NE1 3.91Å; Y644-W676 HydrophobicContact CE2-CB 4.03Å; Y644-W676 AromaticContact CE2-CD2 3.84Å; Y644-W676 HydrophobicContact CE2-CD2 3.84Å; Y644-W676 HydrophobicContact CE2-CE3 4.28Å; Y644-W676 AromaticContact CE2-CG 3.72Å; Y644-W676 HydrophobicContact CE2-CG 3.72Å; Y644-W676 HydrophobicContact CG-CD2 4.01Å; Y644-W676 AromaticContact CG-CE2 3.79Å; Y644-W676 HydrophobicContact CG-CE3 4.27Å; Y644-W676 HydrophobicContact CG-CH2 4.11Å; Y644-W676 AromaticContact CG-CZ2 3.84Å; Y644-W676 HydrophobicContact CG-CZ2 3.84Å; Y644-W676 HydrophobicContact CG-CZ3 4.33Å; Y644-W676 AromaticContact CZ-CD1 3.82Å; Y644-W676 AromaticContact CZ-CG 3.9Å; I664-W676 HydrophobicContact CB-CD2 4.42Å; I664-W676 HydrophobicContact CB-CZ2 4.06Å; I664-W676 HydrophobicContact CD1-CH2 3.76Å; I664-W676 HydrophobicContact CD1-CZ2 3.99Å; I664-W676 HydrophobicContact CD1-CZ3 4.23Å; I664-W676 HydrophobicContact CG2-CZ2 3.89Å; I664-W676 PolarHBondContact N-O 3.2Å; I664-W676 PolarHBondContact O-N 3.08Å; S666-W676 PolarHBondContact OG-NE1 3.26Å; S666-W676 VanDerWaalsContact OG-NE1 3.13Å
677	Q	80.5	Confident	77.5	Confident	12 Å²	12	33.8 Å²	33.8	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.5	171.5	-165.9	172.2	-3.5	0	0	107.7	N304 G305 P661 F662 L663 Y683	N304-Q677 CarbonylContact C-O 3.57Å; G305-Q677 CarbonylContact C-O 3.59Å; G305-Q677 VanDerWaalsContact C-O 3.25Å; G305-Q677 VanDerWaalsContact CA-O 3.23Å; G305-Q677 WeakPolarHBondContact CA-O 3.35Å; G305-Q677 PolarHBondContact N-O 2.98Å; G305-Q677 CarbonylContact O-C 3.43Å; G305-Q677 VanDerWaalsContact O-C 3.26Å; G305-Q677 VanDerWaalsContact O-CA 3.32Å; G305-Q677 WeakPolarHBondContact O-CA 3.28Å; G305-Q677 WeakPolarHBondContact O-CB 3.46Å; G305-Q677 PolarHBondContact O-N 2.92Å; P661-Q677 PolarHBondContact O-NE2 2.66Å; F662-Q677 HydrophobicContact CB-CG 4.39Å; L663-Q677 HydrophobicContact CD1-CB 4.38Å; Q677-Y683 PolarHBondContact NE2-OH 3.49Å
678	M	78.9	Confident	75.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	158.9	169.2	49.2	175.7	74.5	0	0	109.8	I619 F642 F662 Y683	I619-M678 HydrophobicContact CB-CE 3.88Å; I619-M678 HydrophobicContact CG1-CE 3.57Å; I619-M678 HydrophobicContact CG2-CE 3.82Å; F642-M678 HydrophobicContact CB-CE 4.08Å; F642-M678 HydrophobicContact CD1-CB 4.45Å; F642-M678 HydrophobicContact CD1-CE 4.33Å; F642-M678 HydrophobicContact CD2-CB 4.25Å; F642-M678 HydrophobicContact CE1-CB 4.45Å; F642-M678 HydrophobicContact CE2-CB 4.27Å; F642-M678 HydrophobicContact CG-CB 4.32Å; F642-M678 HydrophobicContact CG-CE 4.33Å; F642-M678 HydrophobicContact CZ-CB 4.34Å; F662-M678 HydrophobicContact CB-CG 3.85Å; F662-M678 HydrophobicContact CB-SD 4.31Å; F662-M678 HydrophobicContact CD1-CE 3.54Å; F662-M678 HydrophobicContact CD1-CG 4Å; F662-M678 HydrophobicContact CD1-SD 3.32Å; F662-M678 WeakPolarHBondContact CD1-SD 3.45Å; F662-M678 HydrophobicContact CE1-CE 4.04Å; F662-M678 HydrophobicContact CE1-SD 3.68Å; F662-M678 HydrophobicContact CG-CE 4.47Å; F662-M678 HydrophobicContact CG-CG 4.08Å; F662-M678 HydrophobicContact CG-SD 3.92Å; M678-Y683 HydrophobicContact CB-CD1 4.32Å; M678-Y683 HydrophobicContact CB-CE1 4.44Å; M678-Y683 HydrophobicContact CG-CD1 3.35Å; M678-Y683 HydrophobicContact CG-CE1 3.55Å; M678-Y683 HydrophobicContact CG-CG 4.33Å; M678-Y683 VanDerWaalsContact O-CE1 3.31Å; M678-Y683 WeakPolarHBondContact O-CE1 3.36Å; M678-Y683 HydrophobicContact SD-CD1 3.44Å; M678-Y683 WeakPolarHBondContact SD-CD1 3.45Å; M678-Y683 HydrophobicContact SD-CE1 4.24Å; M678-Y683 HydrophobicContact SD-CG 3.94Å
679	S	69.9	Low	73.4	Confident	13 Å²	13	40.9 Å²	40.9	9%	0.091	23%	0.23	C	C	.	.			trans	-65.6	140.5	172.8	177.6	0	0	0	0	110.7	Y303 L681 A682 Y683	Y303-S679 WeakPolarHBondContact O-CB 3.48Å; Y303-S679 PolarHBondContact O-N 2.89Å; S679-L681 PolarHBondContact O-N 3.49Å; S679-L681 VanDerWaalsContact O-N 3.07Å; S679-A682 WeakPolarHBondContact O-CB 3.38Å; S679-A682 PolarHBondContact O-N 3.31Å; S679-Y683 VanDerWaalsContact C-CE1 3.42Å; S679-Y683 WeakPolarHBondContact O-CD1 3.22Å; S679-Y683 WeakPolarHBondContact O-CE1 3.26Å
680	L	68.2	Low	71.3	Confident	50 Å²	50	39.4 Å²	39.4	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-52.7	-32.6	176.8	177.1	67.2	0	0	0	112.4	P370 A682 Y683 K684 L687	P370-L680 HydrophobicContact CB-CD1 4.01Å; P370-L680 WeakPolarHBondContact O-CB 3.42Å; P370-L680 WeakPolarHBondContact O-CD2 3.49Å; P370-L680 WeakPolarHBondContact O-CG 3.37Å; L680-A682 PolarHBondContact O-N 3.44Å; L680-A682 VanDerWaalsContact O-N 3.13Å; L680-Y683 HydrophobicContact CB-CE1 4.4Å; L680-Y683 HydrophobicContact CD1-CD2 4.17Å; L680-Y683 HydrophobicContact CD1-CE2 3.64Å; L680-Y683 PolarHBondContact O-N 3.14Å; L680-Y683 VanDerWaalsContact O-N 3.13Å; L680-K684 HydrophobicContact CD1-CB 4.21Å; L680-K684 HydrophobicContact CG-CB 4.26Å; L680-K684 WeakPolarHBondContact O-CB 3.46Å; L680-K684 PolarHBondContact O-N 3.2Å; L680-L687 HydrophobicContact CD1-CD1 3.58Å
681	L	67.6	Low	68.9	Low	126 Å²	126	46.3 Å²	46.3	66%	0.66	25%	0.253	S	S	*	.	H	α-helix	trans	-55.3	-31.4	177.5	-70.8	166.8	0	0	0	112.7	S679	S679-L681 PolarHBondContact O-N 3.49Å; S679-L681 VanDerWaalsContact O-N 3.07Å
682	A	69	Low	66.6	Low	42 Å²	42	50.6 Å²	50.6	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-79.7	-24.1	-178	0	0	0	0	0	113.9	S679 L680	S679-A682 WeakPolarHBondContact O-CB 3.38Å; S679-A682 PolarHBondContact O-N 3.31Å; L680-A682 PolarHBondContact O-N 3.44Å; L680-A682 VanDerWaalsContact O-N 3.13Å
683	Y	70.9	Confident	64.4	Low	2 Å²	2	52.9 Å²	52.9	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-131.4	3.1	-172.5	66.4	-89.6	0	0	0	115.4	F662 Q677 M678 S679 L680 D685 V686 L687	F662-Y683 HydrophobicContact CB-CE1 4.41Å; F662-Y683 HydrophobicContact CD1-CG 4.47Å; F662-Y683 HydrophobicContact CD2-CD1 4.24Å; F662-Y683 AromaticContact CD2-CD2 3.28Å; F662-Y683 HydrophobicContact CD2-CD2 3.28Å; F662-Y683 HydrophobicContact CD2-CE1 4.35Å; F662-Y683 AromaticContact CD2-CE2 3.45Å; F662-Y683 HydrophobicContact CD2-CE2 3.45Å; F662-Y683 VanDerWaalsContact CD2-CE2 3.45Å; F662-Y683 AromaticContact CD2-CG 3.69Å; F662-Y683 HydrophobicContact CD2-CG 3.69Å; F662-Y683 AromaticContact CD2-CZ 3.99Å; F662-Y683 HydrophobicContact CE1-CG 4.38Å; F662-Y683 AromaticContact CE2-CD2 3.21Å; F662-Y683 HydrophobicContact CE2-CD2 3.21Å; F662-Y683 AromaticContact CE2-CE2 3.86Å; F662-Y683 HydrophobicContact CE2-CE2 3.86Å; F662-Y683 AromaticContact CE2-CG 3.61Å; F662-Y683 HydrophobicContact CE2-CG 3.61Å; F662-Y683 HydrophobicContact CG-CD1 4.32Å; F662-Y683 HydrophobicContact CG-CD2 4.14Å; F662-Y683 HydrophobicContact CG-CE1 4.43Å; F662-Y683 HydrophobicContact CG-CE2 4.28Å; F662-Y683 HydrophobicContact CG-CG 4.13Å; F662-Y683 HydrophobicContact CZ-CD2 4Å; F662-Y683 AromaticContact CZ-CG 3.96Å; F662-Y683 HydrophobicContact CZ-CG 3.96Å; Q677-Y683 PolarHBondContact NE2-OH 3.49Å; M678-Y683 HydrophobicContact CB-CD1 4.32Å; M678-Y683 HydrophobicContact CB-CE1 4.44Å; M678-Y683 HydrophobicContact CG-CD1 3.35Å; M678-Y683 HydrophobicContact CG-CE1 3.55Å; M678-Y683 HydrophobicContact CG-CG 4.33Å; M678-Y683 VanDerWaalsContact O-CE1 3.31Å; M678-Y683 WeakPolarHBondContact O-CE1 3.36Å; M678-Y683 HydrophobicContact SD-CD1 3.44Å; M678-Y683 WeakPolarHBondContact SD-CD1 3.45Å; M678-Y683 HydrophobicContact SD-CE1 4.24Å; M678-Y683 HydrophobicContact SD-CG 3.94Å; S679-Y683 VanDerWaalsContact C-CE1 3.42Å; S679-Y683 WeakPolarHBondContact O-CD1 3.22Å; S679-Y683 WeakPolarHBondContact O-CE1 3.26Å; L680-Y683 HydrophobicContact CB-CE1 4.4Å; L680-Y683 HydrophobicContact CD1-CD2 4.17Å; L680-Y683 HydrophobicContact CD1-CE2 3.64Å; L680-Y683 PolarHBondContact O-N 3.14Å; L680-Y683 VanDerWaalsContact O-N 3.13Å; Y683-D685 PolarHBondContact O-N 3.49Å; Y683-D685 VanDerWaalsContact O-N 3.07Å; Y683-V686 WeakPolarHBondContact O-CA 3.5Å; Y683-V686 WeakPolarHBondContact O-CB 3.45Å; Y683-V686 PolarHBondContact O-N 3.44Å; Y683-L687 HydrophobicContact CD2-CD1 4.15Å; Y683-L687 HydrophobicContact CD2-CD2 3.96Å; Y683-L687 HydrophobicContact CD2-CG 3.89Å; Y683-L687 HydrophobicContact CE2-CD1 4.03Å; Y683-L687 HydrophobicContact CE2-CD2 4Å; Y683-L687 HydrophobicContact CE2-CG 4.15Å; Y683-L687 PolarHBondContact O-N 3.48Å
684	K	67.3	Low	62	Low	97 Å²	97	57 Å²	57	42%	0.422	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-49.1	-36.9	177.3	60.8	175.5	-172.5	179.4	0	113.4	L680 V686 S690	L680-K684 HydrophobicContact CD1-CB 4.21Å; L680-K684 HydrophobicContact CG-CB 4.26Å; L680-K684 WeakPolarHBondContact O-CB 3.46Å; L680-K684 PolarHBondContact O-N 3.2Å; K684-V686 PolarHBondContact O-N 2.94Å; K684-S690 WeakPolarHBondContact O-CB 3.37Å
685	D	66.4	Low	59.6	Low	115 Å²	115	62.6 Å²	62.6	62%	0.615	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-76.6	-18.8	-175.9	-58.4	-34.5	0	0	0	111.9	Y683 S690	Y683-D685 PolarHBondContact O-N 3.49Å; Y683-D685 VanDerWaalsContact O-N 3.07Å; D685-S690 PolarHBondContact O-OG 3.31Å
686	V	65.9	Low	57.3	Low	25 Å²	25	68.8 Å²	68.8	15%	0.152	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-97.7	-7.2	-175	-174.1	0	0	0	0	111.4	N604 V607 N621 M641 Y683 K684	N604-V686 WeakPolarHBondContact ND2-CG1 3.35Å; N604-V686 PolarHBondContact ND2-O 3.27Å; V607-V686 HydrophobicContact CG2-CG1 3.74Å; N621-V686 WeakPolarHBondContact ND2-CG2 3.47Å; M641-V686 HydrophobicContact CE-CB 4.26Å; M641-V686 HydrophobicContact CE-CG1 4.42Å; M641-V686 HydrophobicContact CE-CG2 3.76Å; M641-V686 HydrophobicContact SD-CG2 4.44Å; Y683-V686 WeakPolarHBondContact O-CA 3.5Å; Y683-V686 WeakPolarHBondContact O-CB 3.45Å; Y683-V686 PolarHBondContact O-N 3.44Å; K684-V686 PolarHBondContact O-N 2.94Å
687	L	61.5	Low	55	Low	32 Å²	32	78 Å²	78	17%	0.168	42%	0.42	C	S	.	.	S	Bend	trans	-72.1	137.9	175.2	-72.8	173.9	0	0	0	111.8	F662 L680 Y683 G689 S690	F662-L687 HydrophobicContact CE2-CD2 4.29Å; L680-L687 HydrophobicContact CD1-CD1 3.58Å; Y683-L687 HydrophobicContact CD2-CD1 4.15Å; Y683-L687 HydrophobicContact CD2-CD2 3.96Å; Y683-L687 HydrophobicContact CD2-CG 3.89Å; Y683-L687 HydrophobicContact CE2-CD1 4.03Å; Y683-L687 HydrophobicContact CE2-CD2 4Å; Y683-L687 HydrophobicContact CE2-CG 4.15Å; Y683-L687 PolarHBondContact O-N 3.48Å; L687-G689 PolarHBondContact O-N 3.2Å; L687-S690 PolarHBondContact O-N 3.36Å; L687-S690 VanDerWaalsContact O-N 3.09Å
688	P	50.3	Low	52.5	Low	114 Å²	114	83.5 Å²	83.5	74%	0.74	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	122.2	168.6	-20.2	30.7	0	0	0	109.9
689	G	43.7	Very low	51.2	Low	36 Å²	36	87.6 Å²	87.6	37%	0.371	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	14.8	-177.9	0	0	0	0	0	115.6	L687 K691 L692 L693	L687-G689 PolarHBondContact O-N 3.2Å; G689-K691 PolarHBondContact O-N 3.46Å; G689-K691 VanDerWaalsContact O-N 3.11Å; G689-L692 WeakPolarHBondContact O-CA 3.23Å; G689-L692 VanDerWaalsContact O-CB 3.28Å; G689-L692 WeakPolarHBondContact O-CB 3.35Å; G689-L692 PolarHBondContact O-N 3.26Å; G689-L693 PolarHBondContact O-N 3.4Å; G689-L693 VanDerWaalsContact O-N 3.1Å
690	S	43.4	Very low	50.2	Low	32 Å²	32	91.5 Å²	91.5	22%	0.224	53%	0.525	C	S	.	.	H	α-helix	trans	-51.6	-33	170.8	61.9	0	0	0	0	113	K684 D685 L687 L692 L693 T694	K684-S690 WeakPolarHBondContact O-CB 3.37Å; D685-S690 PolarHBondContact O-OG 3.31Å; L687-S690 PolarHBondContact O-N 3.36Å; L687-S690 VanDerWaalsContact O-N 3.09Å; S690-L692 VanDerWaalsContact C-N 3.33Å; S690-L692 PolarHBondContact O-N 3.05Å; S690-L693 PolarHBondContact O-N 3.12Å; S690-T694 PolarHBondContact O-N 3.47Å; S690-T694 PolarHBondContact O-OG1 3.1Å; S690-T694 VanDerWaalsContact O-OG1 3.1Å
691	K	34.5	Very low	49.2	Very low	170 Å²	170	93.8 Å²	93.8	74%	0.739	54%	0.54	S	S	*	.	H	α-helix	trans	-61.8	-32.5	170.4	-72.1	-173.4	177.7	-177.6	0	114.4	G689 T694 N695	G689-K691 PolarHBondContact O-N 3.46Å; G689-K691 VanDerWaalsContact O-N 3.11Å; K691-T694 VanDerWaalsContact C-OG1 3.3Å; K691-T694 VanDerWaalsContact CA-OG1 3.32Å; K691-T694 WeakPolarHBondContact CA-OG1 3.44Å; K691-T694 PolarHBondContact O-OG1 3.36Å; K691-N695 VanDerWaalsContact O-CG 3.26Å; K691-N695 PolarHBondContact O-N 3.33Å; K691-N695 PolarHBondContact O-ND2 3.46Å
692	L	34.3	Very low	48.1	Very low	122 Å²	122	91.9 Å²	91.9	64%	0.639	53%	0.533	S	S	*	.	H	α-helix	trans	-75.9	-40.6	175.2	-100.3	145.7	0	0	0	110.9	G689 S690 T694 N695 L696	G689-L692 WeakPolarHBondContact O-CA 3.23Å; G689-L692 VanDerWaalsContact O-CB 3.28Å; G689-L692 WeakPolarHBondContact O-CB 3.35Å; G689-L692 PolarHBondContact O-N 3.26Å; S690-L692 VanDerWaalsContact C-N 3.33Å; S690-L692 PolarHBondContact O-N 3.05Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.23Å; L692-N695 PolarHBondContact O-N 3.27Å; L692-N695 VanDerWaalsContact O-N 3.16Å; L692-L696 WeakPolarHBondContact O-CG 3.35Å; L692-L696 PolarHBondContact O-N 3.2Å; L692-L696 VanDerWaalsContact O-N 3.08Å
693	L	37	Very low	46.8	Very low	106 Å²	106	95.1 Å²	95.1	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-66.6	-31.5	176.1	-80.7	158.8	0	0	0	113.1	G689 S690 N695	G689-L693 PolarHBondContact O-N 3.4Å; G689-L693 VanDerWaalsContact O-N 3.1Å; S690-L693 PolarHBondContact O-N 3.12Å; L693-N695 VanDerWaalsContact C-N 3.35Å
694	T	35.8	Very low	45.2	Very low	89 Å²	89	101.3 Å²	101.3	55%	0.546	58%	0.58	S	S	.	*	H	α-helix	trans	-70.5	-30.6	171.6	44.9	0	0	0	0	112.9	S690 K691 L692	S690-T694 PolarHBondContact O-N 3.47Å; S690-T694 PolarHBondContact O-OG1 3.1Å; S690-T694 VanDerWaalsContact O-OG1 3.1Å; K691-T694 VanDerWaalsContact C-OG1 3.3Å; K691-T694 VanDerWaalsContact CA-OG1 3.32Å; K691-T694 WeakPolarHBondContact CA-OG1 3.44Å; K691-T694 PolarHBondContact O-OG1 3.36Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.23Å
695	N	35.3	Very low	43.6	Very low	129 Å²	129	101.6 Å²	101.6	69%	0.69	59%	0.592	S	S	*	*	H	α-helix	trans	-85.1	-18.1	-179	-71.8	-6.2	0	0	0	113.7	K691 L692 L693 K697	K691-N695 VanDerWaalsContact O-CG 3.26Å; K691-N695 PolarHBondContact O-N 3.33Å; K691-N695 PolarHBondContact O-ND2 3.46Å; L692-N695 PolarHBondContact O-N 3.27Å; L692-N695 VanDerWaalsContact O-N 3.16Å; L693-N695 VanDerWaalsContact C-N 3.35Å; N695-K697 PolarHBondContact O-N 3.4Å
696	L	38.4	Very low	41.9	Very low	130 Å²	130	100.5 Å²	100.5	68%	0.681	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	3.7	174.8	-76.4	161.3	0	0	0	113.7	L692	L692-L696 WeakPolarHBondContact O-CG 3.35Å; L692-L696 PolarHBondContact O-N 3.2Å; L692-L696 VanDerWaalsContact O-N 3.08Å
697	K	35.9	Very low	39.9	Very low	194 Å²	194	106.8 Å²	106.8	84%	0.843	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	5.9	176.4	-83	-172.7	175.1	178.4	0	114.3	N695	N695-K697 PolarHBondContact O-N 3.4Å
698	G	28.4	Very low	37.9	Very low	128 Å²	128	113.6 Å²	113.6	100%	1.32	67%	0.668	S	S	*	*			trans	-106.5	0	162.7	0	0	0	0	0	109.1

Retrieved 698 of 698 residues in 2122.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).