A0A093K4J8_STRCA Loading...

F-box/LRR-repeat protein 4

AlphaFold DB , UniProt , Accession A0A093K4J8, Species STRCA (Struthio camelus australis), Gene n/a, Length 620 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	32.6	Very low	248 Å²	248	140.3 Å²	140.3	100%	1.222	78%	0.777	S	S	*	*				0	102.5	0	-85.3	173.3	154.9	0	0	107.4
2	S	20.9	Very low	33.2	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	73%	0.731	S	S	*	*			trans	-127.4	136.3	177.9	-53.5	0	0	0	0	106.6	V4	S2-V4 PolarHBondContact O-N 3.18Å
3	P	29.1	Very low	33.4	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	72%	0.717	S	S	*	*			trans	-76.7	123.2	-177.7	30.2	-29.9	0	0	0	109.5	F5	P3-F5 PolarHBondContact O-N 3.12Å
4	V	26.1	Very low	34.3	Very low	137 Å²	137	129.8 Å²	129.8	83%	0.83	71%	0.707	S	S	*	*			trans	-76.9	114.7	170.5	175.7	0	0	0	0	107.3	S2	S2-V4 PolarHBondContact O-N 3.18Å
5	F	26.1	Very low	35.1	Very low	181 Å²	181	131.3 Å²	131.3	79%	0.794	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-71.1	133.4	166.3	-79.1	-90.5	0	0	0	109	P3 M7	P3-F5 PolarHBondContact O-N 3.12Å; F5-M7 PolarHBondContact O-N 3.18Å
6	P	32.9	Very low	35.4	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.5	125.1	173.4	27.4	-29.7	0	0	0	109	L8	P6-L8 PolarHBondContact O-N 3.01Å
7	M	27.7	Very low	35.7	Very low	191 Å²	191	131.3 Å²	131.3	94%	0.941	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-59.3	118	170.3	-79	-156.2	-151.1	0	0	109.2	F5 T9	F5-M7 PolarHBondContact O-N 3.18Å; M7-T9 PolarHBondContact O-N 2.66Å
8	L	35.4	Very low	36.2	Very low	99 Å²	99	127.9 Å²	127.9	52%	0.518	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-58.9	130.1	165.9	-86	97	0	0	0	109.2	P6 S12 M13 Y16	P6-L8 PolarHBondContact O-N 3.01Å; L8-S12 VanDerWaalsContact CB-OG 3.3Å; L8-S12 WeakPolarHBondContact CB-OG 3.47Å; L8-S12 WeakPolarHBondContact CD2-OG 3.45Å; L8-M13 HydrophobicContact CB-CG 3.95Å; L8-M13 HydrophobicContact CD2-CG 4.47Å; L8-Y16 HydrophobicContact CD2-CD2 4.19Å; L8-Y16 HydrophobicContact CD2-CE2 4.38Å
9	T	49.1	Very low	36.5	Very low	93 Å²	93	125.9 Å²	125.9	57%	0.571	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-66	149.6	170.5	57.1	0	0	0	0	109.8	M7 L11 S12 M13	M7-T9 PolarHBondContact O-N 2.66Å; T9-L11 PolarHBondContact O-N 2.67Å; T9-L11 VanDerWaalsContact O-N 3.07Å; T9-S12 PolarHBondContact N-OG 2.81Å; T9-S12 WeakPolarHBondContact O-CA 2.97Å; T9-S12 PolarHBondContact O-N 3.46Å; T9-S12 PolarHBondContact O-OG 3.1Å; T9-M13 PolarHBondContact O-N 3.24Å; T9-M13 VanDerWaalsContact O-N 3.17Å
10	V	38.9	Very low	36.5	Very low	105 Å²	105	129.3 Å²	129.3	64%	0.636	67%	0.666	S	S	*	*	H	α-helix	trans	-53.1	-33.2	-178.8	175.8	0	0	0	0	112.5	M13 F14	V10-M13 PolarHBondContact O-N 3.01Å; V10-F14 HydrophobicContact CG1-CD2 3.92Å; V10-F14 HydrophobicContact CG1-CE2 4.05Å; V10-F14 WeakPolarHBondContact O-CD2 3.28Å; V10-F14 PolarHBondContact O-N 2.97Å
11	L	39.3	Very low	36.7	Very low	154 Å²	154	133.2 Å²	133.2	81%	0.806	67%	0.672	S	S	*	*	H	α-helix	trans	-59.5	-43.6	171.9	-94.7	131.5	0	0	0	113.4	T9 F14 Y15	T9-L11 PolarHBondContact O-N 2.67Å; T9-L11 VanDerWaalsContact O-N 3.07Å; L11-F14 PolarHBondContact O-N 3.39Å; L11-Y15 WeakPolarHBondContact O-CB 3.39Å; L11-Y15 PolarHBondContact O-N 3.23Å
12	S	40	Very low	37.3	Very low	33 Å²	33	129.3 Å²	129.3	23%	0.231	64%	0.644	C	S	.	*	H	α-helix	trans	-71.9	-31.2	178	66.1	0	0	0	0	112.5	L8 T9 Y16	L8-S12 VanDerWaalsContact CB-OG 3.3Å; L8-S12 WeakPolarHBondContact CB-OG 3.47Å; L8-S12 WeakPolarHBondContact CD2-OG 3.45Å; T9-S12 PolarHBondContact N-OG 2.81Å; T9-S12 WeakPolarHBondContact O-CA 2.97Å; T9-S12 PolarHBondContact O-N 3.46Å; T9-S12 PolarHBondContact O-OG 3.1Å; S12-Y16 WeakPolarHBondContact O-CD2 3.19Å; S12-Y16 PolarHBondContact O-N 2.76Å
13	M	35.7	Very low	38	Very low	110 Å²	110	127.7 Å²	127.7	54%	0.542	64%	0.637	S	S	.	*	H	α-helix	trans	-69.6	-38.8	173.9	-70.5	-173.6	68.8	0	0	112.4	L8 T9 V10 Y16 M17	L8-M13 HydrophobicContact CB-CG 3.95Å; L8-M13 HydrophobicContact CD2-CG 4.47Å; T9-M13 PolarHBondContact O-N 3.24Å; T9-M13 VanDerWaalsContact O-N 3.17Å; V10-M13 PolarHBondContact O-N 3.01Å; M13-Y16 PolarHBondContact O-N 3.39Å; M13-M17 WeakPolarHBondContact O-CG 3.43Å; M13-M17 PolarHBondContact O-N 2.86Å
14	F	46.2	Very low	38.2	Very low	131 Å²	131	131.9 Å²	131.9	58%	0.575	64%	0.638	S	S	*	*	H	α-helix	trans	-68.6	-38.5	174	-93.2	-86.5	0	0	0	112.5	V10 L11 Y16 M17 C18	V10-F14 HydrophobicContact CG1-CD2 3.92Å; V10-F14 HydrophobicContact CG1-CE2 4.05Å; V10-F14 WeakPolarHBondContact O-CD2 3.28Å; V10-F14 PolarHBondContact O-N 2.97Å; L11-F14 PolarHBondContact O-N 3.39Å; F14-Y16 VanDerWaalsContact C-N 3.33Å; F14-Y16 PolarHBondContact O-N 3.31Å; F14-M17 PolarHBondContact O-N 3.46Å; F14-C18 PolarHBondContact O-N 2.81Å; F14-C18 PolarHBondContact O-SG 2.86Å
15	Y	46.2	Very low	38.6	Very low	153 Å²	153	131.4 Å²	131.4	60%	0.6	64%	0.635	S	S	*	*	H	α-helix	trans	-56.5	-45.6	169.7	177.2	-99.9	0	0	0	111.7	L11 M17 C18 L19	L11-Y15 WeakPolarHBondContact O-CB 3.39Å; L11-Y15 PolarHBondContact O-N 3.23Å; Y15-M17 PolarHBondContact O-N 3.37Å; Y15-C18 PolarHBondContact O-N 3.36Å; Y15-L19 HydrophobicContact CD1-CD1 3.93Å; Y15-L19 HydrophobicContact CE1-CD1 3.38Å; Y15-L19 HydrophobicContact CE2-CD1 4.08Å; Y15-L19 HydrophobicContact CG-CD1 4.48Å; Y15-L19 VanDerWaalsContact CZ-CD1 3.46Å; Y15-L19 PolarHBondContact O-N 3.39Å; Y15-L19 VanDerWaalsContact O-N 3.09Å
16	Y	40	Very low	39	Very low	144 Å²	144	126.6 Å²	126.6	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-67.4	-32.7	175.5	-96	-80.6	0	0	0	113.5	L8 S12 M13 F14 L19 R20	L8-Y16 HydrophobicContact CD2-CD2 4.19Å; L8-Y16 HydrophobicContact CD2-CE2 4.38Å; S12-Y16 WeakPolarHBondContact O-CD2 3.19Å; S12-Y16 PolarHBondContact O-N 2.76Å; M13-Y16 PolarHBondContact O-N 3.39Å; F14-Y16 VanDerWaalsContact C-N 3.33Å; F14-Y16 PolarHBondContact O-N 3.31Å; Y16-L19 PolarHBondContact O-N 3.09Å; Y16-R20 WeakPolarHBondContact O-CB 3.47Å; Y16-R20 PolarHBondContact O-N 3.13Å
17	M	40.8	Very low	39	Very low	118 Å²	118	126.9 Å²	126.9	58%	0.581	63%	0.629	S	S	*	*	H	α-helix	trans	-67	-37.4	173.6	-77	179.3	58.8	0	0	112.4	M13 F14 Y15 R20 R21	M13-M17 WeakPolarHBondContact O-CG 3.43Å; M13-M17 PolarHBondContact O-N 2.86Å; F14-M17 PolarHBondContact O-N 3.46Å; Y15-M17 PolarHBondContact O-N 3.37Å; M17-R20 PolarHBondContact O-N 3.14Å; M17-R21 PolarHBondContact O-N 3.5Å; M17-R21 VanDerWaalsContact O-N 3.16Å
18	C	43.4	Very low	39	Very low	70 Å²	70	129.7 Å²	129.7	47%	0.473	63%	0.629	S	S	.	*	H	α-helix	trans	-66	-41.7	174.6	-63.9	0	0	0	0	111.6	F14 Y15 R22	F14-C18 PolarHBondContact O-N 2.81Å; F14-C18 PolarHBondContact O-SG 2.86Å; Y15-C18 PolarHBondContact O-N 3.36Å; C18-R22 PolarHBondContact O-N 3.18Å
19	L	42	Very low	38.6	Very low	90 Å²	90	128.6 Å²	128.6	47%	0.471	64%	0.641	S	S	.	*	H	α-helix	trans	-65.4	-42.8	174	-106.3	129.2	0	0	0	112.8	Y15 Y16 R21 R22 A23	Y15-L19 HydrophobicContact CD1-CD1 3.93Å; Y15-L19 HydrophobicContact CE1-CD1 3.38Å; Y15-L19 HydrophobicContact CE2-CD1 4.08Å; Y15-L19 HydrophobicContact CG-CD1 4.48Å; Y15-L19 VanDerWaalsContact CZ-CD1 3.46Å; Y15-L19 PolarHBondContact O-N 3.39Å; Y15-L19 VanDerWaalsContact O-N 3.09Å; Y16-L19 PolarHBondContact O-N 3.09Å; L19-R21 PolarHBondContact O-N 3.31Å; L19-R22 PolarHBondContact O-N 3.48Å; L19-A23 PolarHBondContact O-N 2.78Å
20	R	36.5	Very low	37.5	Very low	193 Å²	193	133 Å²	133	73%	0.728	66%	0.655	S	S	*	*	H	α-helix	trans	-71	-27.7	-178	-116.9	-178.5	176.5	-172.6	0.3	113.8	Y16 M17	Y16-R20 WeakPolarHBondContact O-CB 3.47Å; Y16-R20 PolarHBondContact O-N 3.13Å; M17-R20 PolarHBondContact O-N 3.14Å
21	R	41.4	Very low	36.9	Very low	212 Å²	212	136.9 Å²	136.9	80%	0.8	67%	0.669	S	S	*	*	H	α-helix	trans	-74.9	-32.8	174	-111.3	179.8	173	171.8	-2.3	112.2	M17 L19 A23 R24	M17-R21 PolarHBondContact O-N 3.5Å; M17-R21 VanDerWaalsContact O-N 3.16Å; L19-R21 PolarHBondContact O-N 3.31Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.45Å; R21-R24 PolarHBondContact O-N 3.49Å
22	R	44.9	Very low	36.3	Very low	166 Å²	166	136.9 Å²	136.9	63%	0.626	67%	0.67	S	S	*	*	H	α-helix	trans	-66.7	-26.4	174.7	-76.6	-179.1	176.6	-178.5	-2.5	113.7	C18 L19 R24 A78	C18-R22 PolarHBondContact O-N 3.18Å; L19-R22 PolarHBondContact O-N 3.48Å; R22-R24 PolarHBondContact O-N 3.21Å; R22-A78 PolarHBondContact NH2-O 3.49Å
23	A	36.9	Very low	35.9	Very low	73 Å²	73	140.3 Å²	140.3	60%	0.603	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-12.6	177.6	0	0	0	0	0	114.8	L19 R21	L19-A23 PolarHBondContact O-N 2.78Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.45Å
24	R	33.2	Very low	35.7	Very low	206 Å²	206	147 Å²	147	78%	0.777	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-7.5	-176.1	-74.8	-173.7	-179.7	-179.7	-0	114.8	R21 R22	R21-R24 PolarHBondContact O-N 3.49Å; R22-R24 PolarHBondContact O-N 3.21Å
25	T	33.9	Very low	34.9	Very low	126 Å²	126	151.9 Å²	151.9	77%	0.773	73%	0.727	S	S	*	*	S	Bend	trans	-106.7	-2.6	179.5	43.5	0	0	0	0	113.8
26	A	34.2	Very low	34	Very low	81 Å²	81	149.3 Å²	149.3	67%	0.669	74%	0.738	S	S	*	*			trans	-106.8	56.4	177.8	0	0	0	0	0	112.1
27	T	33.1	Very low	33.6	Very low	116 Å²	116	150 Å²	150	71%	0.712	75%	0.75	S	S	*	*			trans	-145.9	85.6	165.8	40.3	0	0	0	0	110.9
28	R	27.8	Very low	33.2	Very low	251 Å²	251	153.4 Å²	153.4	95%	0.947	76%	0.764	S	S	*	*			trans	-172	111.9	147.3	-113.1	171.2	174.8	-177.3	-2.5	112.1
29	G	26.8	Very low	32.4	Very low	76 Å²	76	154.9 Å²	154.9	78%	0.784	78%	0.776	S	S	*	*			trans	52	132.9	150.2	0	0	0	0	0	119
30	E	25.6	Very low	32	Very low	184 Å²	184	158.9 Å²	158.9	86%	0.86	80%	0.797	S	S	*	*			cis	-155.4	128.5	49.7	-92.4	177.9	168.8	0	0	112
31	M	27.6	Very low	31.7	Very low	187 Å²	187	155.5 Å²	155.5	92%	0.921	80%	0.798	S	S	*	*			trans	-72.8	124.8	162.6	-88.8	175.8	149.8	0	0	108.9
32	N	27.1	Very low	31.6	Very low	155 Å²	155	157.9 Å²	157.9	83%	0.829	81%	0.807	S	S	*	*			trans	-135.8	110.2	153.8	-93.5	-36.2	0	0	0	110.9
33	S	30.6	Very low	31	Very low	105 Å²	105	153.9 Å²	153.9	73%	0.734	81%	0.809	S	S	*	*			trans	-64	127.8	171.6	165.4	0	0	0	0	111
34	R	31.2	Very low	31.1	Very low	249 Å²	249	157.7 Å²	157.7	94%	0.94	82%	0.819	S	S	*	*			trans	-136.9	123	152.3	-75.6	-166.9	174.5	175.4	-1.1	110.8
35	R	29.7	Very low	31.6	Very low	234 Å²	234	152.7 Å²	152.7	88%	0.883	81%	0.813	S	S	*	*			trans	-59	137.4	-178.2	-69.7	169.9	170.6	166.3	-4.6	111.7
36	A	27.7	Very low	32.6	Very low	99 Å²	99	153.5 Å²	153.5	82%	0.818	81%	0.811	S	S	*	*			trans	-69.2	130.3	164.6	0	0	0	0	0	109.9
37	I	30.8	Very low	34	Very low	158 Å²	158	152.7 Å²	152.7	81%	0.81	80%	0.796	S	S	*	*			trans	-106.3	112.1	161.2	-65.9	174.4	0	0	0	105.1	S39	I37-S39 PolarHBondContact O-N 3.31Å
38	E	32	Very low	36.3	Very low	190 Å²	190	152.2 Å²	152.2	89%	0.888	79%	0.792	S	S	*	*			trans	-63.3	125.5	173	-72.6	175.6	153.8	0	0	109.7
39	S	27.5	Very low	39.3	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	77%	0.772	S	S	*	*			trans	-133.5	116.9	159.3	52.3	0	0	0	0	108.6	I37 T41	I37-S39 PolarHBondContact O-N 3.31Å; S39-T41 PolarHBondContact O-N 3.16Å; S39-T41 VanDerWaalsContact O-N 3.13Å
40	N	33.7	Very low	42.5	Very low	174 Å²	174	143 Å²	143	93%	0.93	74%	0.74	S	S	*	*			trans	-59.9	107.8	179.4	-89.6	-34.8	0	0	0	110.9
41	T	30.1	Very low	45.9	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	72%	0.722	S	S	*	*			trans	-142	122.6	157.5	-5.5	0	0	0	0	107.2	S39 A43	S39-T41 PolarHBondContact O-N 3.16Å; S39-T41 VanDerWaalsContact O-N 3.13Å; T41-A43 PolarHBondContact O-N 2.93Å
42	R	39.4	Very low	49.2	Very low	262 Å²	262	129.9 Å²	129.9	99%	0.989	68%	0.682	S	S	*	*			trans	-56.7	98.1	175.2	-83.8	177.2	170.5	170.6	-3.7	109.1
43	A	32.5	Very low	52.6	Low	81 Å²	81	126.8 Å²	126.8	67%	0.669	66%	0.659	S	S	*	*			trans	-87.6	129.9	172.3	0	0	0	0	0	109	T41	T41-A43 PolarHBondContact O-N 2.93Å
44	L	37.7	Very low	55.8	Low	153 Å²	153	121.8 Å²	121.8	80%	0.801	62%	0.624	S	S	*	*			trans	-47.8	146.9	158.9	-69.3	153.9	0	0	0	108.8	I46	L44-I46 PolarHBondContact O-N 2.85Å
45	P	44.7	Very low	58.9	Low	101 Å²	101	114.6 Å²	114.6	66%	0.656	60%	0.6	S	S	*	*			trans	-58.5	112.1	179.3	24	-31	0	0	0	108.4	N47	P45-N47 VanDerWaalsContact C-N 3.34Å; P45-N47 PolarHBondContact O-N 3.37Å
46	I	54.2	Low	62.1	Low	143 Å²	143	107.3 Å²	107.3	73%	0.733	58%	0.576	S	S	*	*			trans	-64.3	104.1	168.1	-63	168.5	0	0	0	103.8	L44 V48	L44-I46 PolarHBondContact O-N 2.85Å; I46-V48 PolarHBondContact O-N 3.19Å
47	N	64.7	Low	65.3	Low	64 Å²	64	102.9 Å²	102.9	34%	0.342	54%	0.538	S	S	.	.			trans	-55.3	109.2	171.3	-84.1	-21.7	0	0	0	107	P45 E49 V227	P45-N47 VanDerWaalsContact C-N 3.34Å; P45-N47 PolarHBondContact O-N 3.37Å; N47-E49 PolarHBondContact O-N 3.31Å; N47-V227 HydrophobicContact CB-CB 4.25Å; N47-V227 HydrophobicContact CB-CG1 3.86Å
48	V	80.3	Confident	68.3	Low	106 Å²	106	97 Å²	97	64%	0.642	51%	0.508	S	S	*	.			trans	-64.5	110	178.7	179	0	0	0	0	106.9	I46 I50	I46-V48 PolarHBondContact O-N 3.19Å; V48-I50 PolarHBondContact O-N 2.93Å
49	E	90.4	Very high	71.2	Confident	111 Å²	111	88.5 Å²	88.5	52%	0.519	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127	172.9	-171.5	-179.6	-175.1	0	0	108.7	N47 V51 H225	N47-E49 PolarHBondContact O-N 3.31Å; E49-V51 HydrophobicContact CG-CG2 4.37Å; E49-H225 IonicContact OE1-CE1 2.88Å; E49-H225 IonicContact OE1-CG 2.62Å; E49-H225 IonicContact OE1-ND1 3.89Å; E49-H225 PolarHBondContact OE1-ND1 3.04Å
50	I	95	Very high	74.3	Confident	23 Å²	23	83.6 Å²	83.6	12%	0.118	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.8	175.9	-65.3	167	0	0	0	107.3	V48 Q52 V134 H225 G226 K228	V48-I50 PolarHBondContact O-N 2.93Å; I50-Q52 HydrophobicContact CG2-CG 4.3Å; I50-V134 HydrophobicContact CB-CG1 4.02Å; I50-V134 HydrophobicContact CD1-CG1 3.79Å; I50-V134 HydrophobicContact CG2-CG1 4.04Å; I50-H225 CarbonylContact O-C 3.48Å; I50-H225 WeakPolarHBondContact O-CA 3.49Å; I50-G226 PolarHBondContact N-O 2.85Å; I50-G226 PolarHBondContact O-N 3.12Å; I50-K228 HydrophobicContact CD1-CD 4Å; I50-K228 HydrophobicContact CD1-CG 3.32Å
51	V	96.9	Very high	77.2	Confident	77 Å²	77	75.7 Å²	75.7	47%	0.467	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.4	173	-175.1	0	0	0	0	107.4	E49 V223 H225	E49-V51 HydrophobicContact CG-CG2 4.37Å; V51-V223 HydrophobicContact CG1-CG1 3.57Å; V51-H225 WeakPolarHBondContact CG2-ND1 3.46Å
52	Q	97.5	Very high	80.2	Confident	18 Å²	18	70.3 Å²	70.3	8%	0.084	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.1	-177.4	53.9	-178.6	-33.4	0	0	111.2	I50 F130 E132 V223 L224	I50-Q52 HydrophobicContact CG2-CG 4.3Å; Q52-F130 HydrophobicContact CG-CB 4.37Å; Q52-F130 HydrophobicContact CG-CD1 3.98Å; Q52-E132 PolarHBondContact NE2-O 3.04Å; Q52-V223 WeakPolarHBondContact O-CA 3.38Å; Q52-L224 HydrophobicContact CG-CB 4.22Å; Q52-L224 PolarHBondContact N-O 3.26Å; Q52-L224 PolarHBondContact O-N 3.28Å
53	Y	98	Very high	82.7	Confident	91 Å²	91	57.9 Å²	57.9	36%	0.357	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	158	172.1	-64.1	-89.5	0	0	0	109.9	K55 G79 I80 P81 F130 A221 V223	Y53-K55 PolarHBondContact O-N 3.25Å; Y53-K55 VanDerWaalsContact O-N 3.14Å; Y53-G79 WeakPolarHBondContact CB-O 3.33Å; Y53-G79 WeakPolarHBondContact CD1-O 3.41Å; Y53-I80 HydrophobicContact CD2-CG2 3.91Å; Y53-I80 HydrophobicContact CE2-CG2 3.88Å; Y53-I80 HydrophobicContact CG-CG2 4.27Å; Y53-P81 HydrophobicContact CE1-CG 4.43Å; Y53-F130 WeakPolarHBondContact O-CD1 3.36Å; Y53-A221 HydrophobicContact CD1-CB 4.46Å; Y53-V223 HydrophobicContact CD1-CG2 3.76Å; Y53-V223 HydrophobicContact CE1-CG1 4.39Å; Y53-V223 HydrophobicContact CE1-CG2 3.5Å
54	A	97.9	Very high	85.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.			trans	-54.7	123.3	170.9	0	0	0	0	0	109.5	A78 G79 L128 A129 F130 V222	A54-A78 CarbonylContact O-C 3.55Å; A54-A78 WeakPolarHBondContact O-CA 3.48Å; A54-G79 PolarHBondContact O-N 2.95Å; A54-L128 HydrophobicContact CB-CB 4.12Å; A54-L128 HydrophobicContact CB-CD1 4.32Å; A54-L128 HydrophobicContact CB-CD2 4.32Å; A54-L128 HydrophobicContact CB-CG 4.5Å; A54-A129 CarbonylContact C-O 3.53Å; A54-F130 HydrophobicContact CB-CE1 4.05Å; A54-F130 HydrophobicContact CB-CZ 4.11Å; A54-F130 VanDerWaalsContact N-CE1 3.33Å; A54-V222 PolarHBondContact N-O 3.02Å; A54-V222 VanDerWaalsContact N-O 3.13Å
55	K	96.9	Very high	87.7	Confident	97 Å²	97	47.2 Å²	47.2	42%	0.422	25%	0.245	S	C	.	.			trans	-72.9	-44.2	178.9	178.9	-171.3	-172.8	148.3	0	110.7	Y53 A129 E131	Y53-K55 PolarHBondContact O-N 3.25Å; Y53-K55 VanDerWaalsContact O-N 3.14Å; K55-A129 WeakPolarHBondContact CB-O 3.4Å; K55-A129 PolarHBondContact N-O 2.87Å; K55-E131 WeakPolarHBondContact CD-OE2 3.09Å; K55-E131 WeakPolarHBondContact CE-OE2 3.39Å; K55-E131 IonicContact NZ-OE1 2.88Å; K55-E131 PolarHBondContact NZ-OE1 3.46Å; K55-E131 IonicContact NZ-OE2 3.35Å; K55-E131 PolarHBondContact NZ-OE2 3.13Å
56	E	95.8	Very high	89.3	Confident	81 Å²	81	43.8 Å²	43.8	38%	0.379	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.3	-173.6	65.8	-173.6	169.6	0	0	111	L58 A129	E56-L58 HydrophobicContact CG-CD2 3.82Å; E56-L58 HydrophobicContact CG-CG 3.99Å; E56-L58 WeakPolarHBondContact OE1-CD2 3.38Å; E56-A129 HydrophobicContact CG-CB 3.57Å; E56-A129 PolarHBondContact N-O 3.18Å; E56-A129 PolarHBondContact O-N 3Å
57	V	95.6	Very high	90.2	Very high	6 Å²	6	41 Å²	41	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121	173.3	-177.4	0	0	0	0	108.8	F60 M74 W75 L77 A78 V126 E127 L128	V57-F60 HydrophobicContact CG1-CD1 3.75Å; V57-F60 HydrophobicContact CG1-CE1 4.23Å; V57-M74 HydrophobicContact CG1-CB 4.44Å; V57-M74 WeakPolarHBondContact CG2-O 3.23Å; V57-W75 HydrophobicContact CB-CE3 3.66Å; V57-W75 HydrophobicContact CB-CZ3 3.76Å; V57-W75 HydrophobicContact CG1-CE3 4.43Å; V57-W75 HydrophobicContact CG1-CZ3 4.35Å; V57-W75 HydrophobicContact CG2-CE3 4.23Å; V57-W75 WeakPolarHBondContact O-CZ3 3.49Å; V57-L77 HydrophobicContact CG2-CB 4.17Å; V57-A78 HydrophobicContact CG2-CB 4.43Å; V57-V126 HydrophobicContact CG1-CG2 3.62Å; V57-E127 CarbonylContact C-O 3.35Å; V57-L128 HydrophobicContact CB-CD2 4.29Å; V57-L128 HydrophobicContact CG1-CD2 4.31Å; V57-L128 HydrophobicContact CG2-CD2 3.74Å
58	L	92.6	Very high	90.7	Very high	34 Å²	34	44.4 Å²	44.4	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-62.9	178.4	55.1	59.8	0	0	0	114.1	E56 E127 A129 Y161 L203	E56-L58 HydrophobicContact CG-CD2 3.82Å; E56-L58 HydrophobicContact CG-CG 3.99Å; E56-L58 WeakPolarHBondContact OE1-CD2 3.38Å; L58-E127 WeakPolarHBondContact CA-O 3.02Å; L58-E127 PolarHBondContact N-O 3.36Å; L58-A129 HydrophobicContact CD1-CB 3.42Å; L58-A129 VanDerWaalsContact CD1-CB 3.42Å; L58-A129 HydrophobicContact CD2-CB 3.83Å; L58-A129 HydrophobicContact CG-CB 3.7Å; L58-Y161 HydrophobicContact CB-CD2 3.59Å; L58-Y161 HydrophobicContact CB-CE2 3.61Å; L58-Y161 HydrophobicContact CB-CG 4.3Å; L58-Y161 HydrophobicContact CD1-CD2 3.31Å; L58-Y161 HydrophobicContact CD1-CE2 3.61Å; L58-Y161 HydrophobicContact CD1-CG 4.46Å; L58-Y161 HydrophobicContact CD2-CD2 3.58Å; L58-Y161 HydrophobicContact CD2-CE2 4.43Å; L58-Y161 HydrophobicContact CD2-CG 3.99Å; L58-Y161 HydrophobicContact CG-CD2 3.64Å; L58-Y161 HydrophobicContact CG-CE2 4.04Å; L58-Y161 HydrophobicContact CG-CG 4.47Å; L58-L203 HydrophobicContact CD1-CD1 3.52Å
59	D	92.9	Very high	90.7	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	156	-162.2	-175.9	27.5	0	0	0	108.7	Y125 V126 E127 Y161 H385	D59-Y125 HydrophobicContact CB-CE2 4.31Å; D59-Y125 VanDerWaalsContact OD2-CE2 3.26Å; D59-Y125 WeakPolarHBondContact OD2-CE2 3.42Å; D59-Y125 VanDerWaalsContact OD2-CZ 3.32Å; D59-Y125 PolarHBondContact OD2-OH 3.14Å; D59-V126 CarbonylContact O-C 3.58Å; D59-V126 WeakPolarHBondContact O-CA 3.02Å; D59-E127 HydrophobicContact CB-CB 4.27Å; D59-E127 HydrophobicContact CB-CG 4.34Å; D59-E127 PolarHBondContact O-N 3.16Å; D59-Y161 WeakPolarHBondContact CB-OH 3.43Å; D59-H385 IonicContact OD1-CE1 3.31Å; D59-H385 IonicContact OD1-NE2 2.95Å; D59-H385 PolarHBondContact OD1-NE2 2.85Å; D59-H385 IonicContact OD2-CD2 2.82Å; D59-H385 IonicContact OD2-NE2 3.41Å; D59-H385 PolarHBondContact OD2-NE2 3.16Å; D59-H385 VanDerWaalsContact OD2-NE2 3.12Å
60	F	94.4	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	147.1	178.6	50.5	-87.3	0	0	0	111.4	V57 S62 H63 M74 W75 Y125 V126 R434	V57-F60 HydrophobicContact CG1-CD1 3.75Å; V57-F60 HydrophobicContact CG1-CE1 4.23Å; F60-S62 WeakPolarHBondContact CD2-O 3.35Å; F60-H63 HydrophobicContact CD2-CB 4.16Å; F60-H63 HydrophobicContact CE2-CB 3.82Å; F60-H63 AromaticContact CE2-CG 3.65Å; F60-H63 AromaticContact CE2-ND1 3.49Å; F60-H63 WeakPolarHBondContact CE2-ND1 3.43Å; F60-H63 AromaticContact CZ-ND1 3.87Å; F60-M74 HydrophobicContact CB-CG 4.15Å; F60-M74 HydrophobicContact CD1-CB 3.81Å; F60-M74 HydrophobicContact CD1-CG 4.12Å; F60-M74 HydrophobicContact CD2-CB 4.14Å; F60-M74 HydrophobicContact CD2-CG 3.63Å; F60-M74 HydrophobicContact CE1-CB 3.88Å; F60-M74 HydrophobicContact CE1-CG 4.43Å; F60-M74 HydrophobicContact CE2-CB 4.18Å; F60-M74 HydrophobicContact CE2-CG 3.94Å; F60-M74 HydrophobicContact CG-CB 3.95Å; F60-M74 HydrophobicContact CG-CG 3.71Å; F60-M74 HydrophobicContact CZ-CB 4.05Å; F60-M74 HydrophobicContact CZ-CG 4.34Å; F60-W75 AromaticContact CE1-CE2 3.98Å; F60-W75 AromaticContact CE1-CH2 3.87Å; F60-W75 HydrophobicContact CE1-CH2 3.87Å; F60-W75 AromaticContact CE1-CZ2 3.6Å; F60-W75 HydrophobicContact CE1-CZ2 3.6Å; F60-W75 HydrophobicContact CE1-CZ3 4.48Å; F60-W75 AromaticContact CZ-CZ2 3.92Å; F60-W75 HydrophobicContact CZ-CZ2 3.92Å; F60-Y125 WeakPolarHBondContact CA-O 3.42Å; F60-Y125 WeakPolarHBondContact CB-O 3.49Å; F60-V126 HydrophobicContact CB-CB 4.22Å; F60-V126 HydrophobicContact CB-CG2 4.2Å; F60-R434 VanDerWaalsContact CE2-NH2 3.35Å; F60-R434 VanDerWaalsContact CZ-CZ 3.41Å; F60-R434 PolarHBondContact O-NH1 3.42Å
61	S	94.3	Very high	90.1	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.049	22%	0.223	C	C	.	.	S	Bend	trans	-71.9	-43.2	-176.8	51.7	0	0	0	0	113.8	D124 Y125 S409	S61-D124 WeakPolarHBondContact CB-OD1 3.41Å; S61-D124 WeakPolarHBondContact OG-CA 3.02Å; S61-D124 WeakPolarHBondContact OG-CB 3.5Å; S61-D124 VanDerWaalsContact OG-CG 3.31Å; S61-D124 PolarHBondContact OG-OD1 2.67Å; S61-Y125 PolarHBondContact N-O 2.99Å; S61-Y125 VanDerWaalsContact N-O 3.09Å; S61-Y125 PolarHBondContact OG-N 3.25Å; S61-Y125 PolarHBondContact OG-O 3.35Å; S61-S409 PolarHBondContact O-OG 3.17Å
62	S	93.2	Very high	89.8	Confident	9 Å²	9	40.5 Å²	40.5	6%	0.063	21%	0.205	C	C	.	.			trans	-149.2	163.9	-178.3	75	0	0	0	0	111.4	F60 M74 R97 D124	F60-S62 WeakPolarHBondContact CD2-O 3.35Å; S62-M74 WeakPolarHBondContact O-CE 3.47Å; S62-R97 PolarHBondContact OG-N 3.39Å; S62-D124 VanDerWaalsContact CB-OD1 3.3Å; S62-D124 WeakPolarHBondContact CB-OD1 3.4Å; S62-D124 VanDerWaalsContact OG-CG 3.22Å; S62-D124 PolarHBondContact OG-OD1 3.3Å; S62-D124 PolarHBondContact OG-OD2 3.32Å
63	H	91.8	Very high	89.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.201	C	C	.	.			trans	-151.8	151.1	170.4	69.1	173.3	0	0	0	111.4	F60 G65 M74 V95 Y433	F60-H63 HydrophobicContact CD2-CB 4.16Å; F60-H63 HydrophobicContact CE2-CB 3.82Å; F60-H63 AromaticContact CE2-CG 3.65Å; F60-H63 AromaticContact CE2-ND1 3.49Å; F60-H63 WeakPolarHBondContact CE2-ND1 3.43Å; F60-H63 AromaticContact CZ-ND1 3.87Å; H63-G65 PolarHBondContact CD2-O 3.15Å; H63-G65 VanDerWaalsContact CD2-O 3.3Å; H63-G65 PolarHBondContact CE1-O 2.96Å; H63-G65 PolarHBondContact ND1-O 3.31Å; H63-G65 PolarHBondContact NE2-O 3.1Å; H63-G65 VanDerWaalsContact NE2-O 3.14Å; H63-M74 HydrophobicContact CB-CE 4.05Å; H63-M74 HydrophobicContact CB-CG 3.68Å; H63-V95 CarbonylContact C-O 3.26Å; H63-Y433 PolarHBondContact N-OH 3.43Å; H63-Y433 PolarHBondContact O-OH 2.89Å; H63-Y433 VanDerWaalsContact O-OH 3.05Å
64	Y	90.4	Very high	89.4	Confident	10 Å²	10	35.3 Å²	35.3	4%	0.039	18%	0.184	C	C	.	.	S	Bend	trans	-80.7	-46.2	175.5	-175.7	-94.3	0	0	0	110.9	Y72 V95 Y216 W486 R487 W513 T540	Y64-Y72 AromaticContact CD1-CD2 3.96Å; Y64-Y72 HydrophobicContact CD1-CD2 3.96Å; Y64-Y72 AromaticContact CD1-CG 3.91Å; Y64-Y72 HydrophobicContact CD1-CG 3.91Å; Y64-Y72 AromaticContact CE1-CD2 3.92Å; Y64-Y72 HydrophobicContact CE1-CD2 3.92Å; Y64-Y72 HydrophobicContact CE1-CE2 4.39Å; Y64-Y72 HydrophobicContact CE1-CG 4.28Å; Y64-V95 WeakPolarHBondContact CB-O 3.21Å; Y64-V95 HydrophobicContact CG-CG1 4.26Å; Y64-V95 PolarHBondContact N-O 3.31Å; Y64-Y216 HydrophobicContact CD2-CD1 4.42Å; Y64-Y216 AromaticContact CD2-CE1 3.75Å; Y64-Y216 HydrophobicContact CD2-CE1 3.75Å; Y64-Y216 HydrophobicContact CD2-CE2 4.44Å; Y64-Y216 AromaticContact CD2-CZ 3.78Å; Y64-Y216 HydrophobicContact CE2-CE1 4.02Å; Y64-Y216 AromaticContact CE2-CE2 3.96Å; Y64-Y216 HydrophobicContact CE2-CE2 3.96Å; Y64-Y216 AromaticContact CE2-CZ 3.53Å; Y64-Y216 WeakPolarHBondContact CE2-OH 3.42Å; Y64-W486 HydrophobicContact CD2-CH2 4.03Å; Y64-W486 AromaticContact CD2-CZ2 3.89Å; Y64-W486 HydrophobicContact CD2-CZ2 3.89Å; Y64-W486 AromaticContact CE2-CH2 3.44Å; Y64-W486 HydrophobicContact CE2-CH2 3.44Å; Y64-W486 VanDerWaalsContact CE2-CH2 3.44Å; Y64-W486 AromaticContact CE2-CZ2 3.71Å; Y64-W486 HydrophobicContact CE2-CZ2 3.71Å; Y64-W486 HydrophobicContact CG-CZ2 4.46Å; Y64-W486 AromaticContact CZ-CH2 3.95Å; Y64-R487 PolarHBondContact O-NH1 3.27Å; Y64-R487 PolarHBondContact O-NH2 3.23Å; Y64-W513 AromaticContact CE1-CZ2 3.84Å; Y64-W513 HydrophobicContact CE1-CZ2 3.84Å; Y64-W513 AromaticContact CZ-NE1 3.83Å; Y64-T540 WeakPolarHBondContact OH-CG2 3.44Å
65	G	84.2	Confident	89.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-73.4	161.2	-179.9	0	0	0	0	0	115.5	H63 S71 Y72 R487	H63-G65 PolarHBondContact CD2-O 3.15Å; H63-G65 VanDerWaalsContact CD2-O 3.3Å; H63-G65 PolarHBondContact CE1-O 2.96Å; H63-G65 PolarHBondContact ND1-O 3.31Å; H63-G65 PolarHBondContact NE2-O 3.1Å; H63-G65 VanDerWaalsContact NE2-O 3.14Å; G65-S71 WeakPolarHBondContact CA-O 3.34Å; G65-Y72 VanDerWaalsContact CA-O 3.25Å; G65-Y72 WeakPolarHBondContact CA-O 3.42Å; G65-Y72 PolarHBondContact N-O 3.37Å; G65-R487 PolarHBondContact O-NH1 2.84Å
66	S	77.7	Confident	89.2	Confident	30 Å²	30	36.2 Å²	36.2	21%	0.21	19%	0.186	C	C	.	.			trans	-89.9	147.8	-172.5	175.2	0	0	0	0	111.5	N68 S69 T73 R487	S66-N68 PolarHBondContact O-N 2.84Å; S66-N68 VanDerWaalsContact O-N 3.09Å; S66-N68 PolarHBondContact OG-N 3.45Å; S66-S69 PolarHBondContact O-N 3.13Å; S66-T73 VanDerWaalsContact O-CG2 3.24Å; S66-T73 WeakPolarHBondContact O-CG2 3.38Å; S66-R487 VanDerWaalsContact N-NH1 3.14Å
67	E	73.2	Confident	89.2	Confident	84 Å²	84	32.3 Å²	32.3	39%	0.393	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	175	-63.8	-169.6	166.6	0	0	113.2	R434	E67-R434 IonicContact OE1-CZ 2.95Å; E67-R434 IonicContact OE1-NE 3.75Å; E67-R434 PolarHBondContact OE1-NE 3.29Å; E67-R434 IonicContact OE1-NH2 3.46Å
68	N	75.4	Confident	89.3	Confident	135 Å²	135	32.9 Å²	32.9	72%	0.722	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	10.1	179.2	-62.3	1.4	0	0	0	113.4	S66	S66-N68 PolarHBondContact O-N 2.84Å; S66-N68 VanDerWaalsContact O-N 3.09Å; S66-N68 PolarHBondContact OG-N 3.45Å
69	S	81.2	Confident	89.4	Confident	47 Å²	47	32 Å²	32	33%	0.329	17%	0.173	S	C	.	.			trans	-120.2	163	-179.1	-172.1	0	0	0	0	110.7	S66 S71 T73	S66-S69 PolarHBondContact O-N 3.13Å; S69-S71 PolarHBondContact OG-N 3.37Å; S69-T73 WeakPolarHBondContact O-CG2 3.28Å
70	M	82.6	Confident	89.5	Confident	127 Å²	127	37.2 Å²	37.2	63%	0.626	20%	0.199	S	C	*	.	S	Bend	trans	-94.9	-9.9	165.8	-66.8	-59.3	-65.8	0	0	112	N76	M70-N76 PolarHBondContact O-ND2 3.41Å; M70-N76 PolarHBondContact O-OD1 3.03Å
71	S	88.9	Confident	89.6	Confident	39 Å²	39	38.8 Å²	38.8	27%	0.273	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	122.5	-174.9	-54.4	0	0	0	0	112	G65 S69 T73 T91	G65-S71 WeakPolarHBondContact CA-O 3.34Å; S69-S71 PolarHBondContact OG-N 3.37Å; S71-T73 WeakPolarHBondContact O-CG2 3.31Å; S71-T73 PolarHBondContact O-N 3.27Å; S71-T91 CarbonylContact C-O 3.48Å; S71-T91 WeakPolarHBondContact CA-O 3.41Å
72	Y	91.8	Very high	89.4	Confident	22 Å²	22	43.4 Å²	43.4	9%	0.086	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	27.8	172.9	-53	-69.3	0	0	0	114.4	Y64 G65 D89 T91 T93 V95	Y64-Y72 AromaticContact CD1-CD2 3.96Å; Y64-Y72 HydrophobicContact CD1-CD2 3.96Å; Y64-Y72 AromaticContact CD1-CG 3.91Å; Y64-Y72 HydrophobicContact CD1-CG 3.91Å; Y64-Y72 AromaticContact CE1-CD2 3.92Å; Y64-Y72 HydrophobicContact CE1-CD2 3.92Å; Y64-Y72 HydrophobicContact CE1-CE2 4.39Å; Y64-Y72 HydrophobicContact CE1-CG 4.28Å; G65-Y72 VanDerWaalsContact CA-O 3.25Å; G65-Y72 WeakPolarHBondContact CA-O 3.42Å; G65-Y72 PolarHBondContact N-O 3.37Å; Y72-D89 VanDerWaalsContact CE1-OD1 3.22Å; Y72-D89 WeakPolarHBondContact CE1-OD1 3.25Å; Y72-D89 VanDerWaalsContact CZ-OD1 3.31Å; Y72-D89 PolarHBondContact OH-OD1 2.81Å; Y72-T91 HydrophobicContact CD2-CG2 4.49Å; Y72-T91 HydrophobicContact CE1-CG2 4.39Å; Y72-T91 HydrophobicContact CE2-CG2 3.72Å; Y72-T91 PolarHBondContact N-O 3.28Å; Y72-T93 CarbonylContact C-O 3.39Å; Y72-T93 VanDerWaalsContact CA-O 3.23Å; Y72-T93 WeakPolarHBondContact CA-O 3.4Å; Y72-V95 HydrophobicContact CD1-CG2 3.65Å; Y72-V95 HydrophobicContact CG-CG2 4.3Å
73	T	92.9	Very high	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.			trans	-93.4	148.6	-174.3	75.8	0	0	0	0	111.7	S66 S69 S71 W75 N76 A94	S66-T73 VanDerWaalsContact O-CG2 3.24Å; S66-T73 WeakPolarHBondContact O-CG2 3.38Å; S69-T73 WeakPolarHBondContact O-CG2 3.28Å; S71-T73 WeakPolarHBondContact O-CG2 3.31Å; S71-T73 PolarHBondContact O-N 3.27Å; T73-W75 PolarHBondContact O-N 3.45Å; T73-N76 PolarHBondContact N-ND2 2.98Å; T73-N76 VanDerWaalsContact O-CB 3.3Å; T73-N76 WeakPolarHBondContact O-CB 3.37Å; T73-N76 PolarHBondContact O-N 3.46Å; T73-N76 VanDerWaalsContact O-N 3.1Å; T73-A94 WeakPolarHBondContact O-CA 3.31Å
74	M	94.7	Very high	89.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.9	-31.8	175.7	-69.9	-62.1	155.5	0	0	112.7	V57 F60 S62 H63 N76 L77 A94 V95 F96	V57-M74 HydrophobicContact CG1-CB 4.44Å; V57-M74 WeakPolarHBondContact CG2-O 3.23Å; F60-M74 HydrophobicContact CB-CG 4.15Å; F60-M74 HydrophobicContact CD1-CB 3.81Å; F60-M74 HydrophobicContact CD1-CG 4.12Å; F60-M74 HydrophobicContact CD2-CB 4.14Å; F60-M74 HydrophobicContact CD2-CG 3.63Å; F60-M74 HydrophobicContact CE1-CB 3.88Å; F60-M74 HydrophobicContact CE1-CG 4.43Å; F60-M74 HydrophobicContact CE2-CB 4.18Å; F60-M74 HydrophobicContact CE2-CG 3.94Å; F60-M74 HydrophobicContact CG-CB 3.95Å; F60-M74 HydrophobicContact CG-CG 3.71Å; F60-M74 HydrophobicContact CZ-CB 4.05Å; F60-M74 HydrophobicContact CZ-CG 4.34Å; S62-M74 WeakPolarHBondContact O-CE 3.47Å; H63-M74 HydrophobicContact CB-CE 4.05Å; H63-M74 HydrophobicContact CB-CG 3.68Å; M74-N76 PolarHBondContact O-N 2.86Å; M74-L77 WeakPolarHBondContact O-CB 3.33Å; M74-L77 PolarHBondContact O-N 2.92Å; M74-L77 VanDerWaalsContact O-N 3.09Å; M74-A94 HydrophobicContact SD-CB 3.96Å; M74-V95 WeakPolarHBondContact CE-O 3.41Å; M74-F96 HydrophobicContact CE-CB 4.22Å; M74-F96 HydrophobicContact CE-CD1 3.43Å; M74-F96 VanDerWaalsContact CE-CD1 3.43Å; M74-F96 HydrophobicContact CE-CD2 3.83Å; M74-F96 HydrophobicContact CE-CE1 3.59Å; M74-F96 HydrophobicContact CE-CE2 3.98Å; M74-F96 HydrophobicContact CE-CG 3.57Å; M74-F96 HydrophobicContact CE-CZ 3.87Å; M74-F96 HydrophobicContact SD-CE1 4.1Å; M74-F96 HydrophobicContact SD-CE2 4.4Å; M74-F96 HydrophobicContact SD-CZ 4.04Å
75	W	94.8	Very high	89.5	Confident	106 Å²	106	50.9 Å²	50.9	40%	0.402	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-58.3	-19.8	178.4	-50.7	117.2	0	0	0	114	V57 F60 T73 L77 A78	V57-W75 HydrophobicContact CB-CE3 3.66Å; V57-W75 HydrophobicContact CB-CZ3 3.76Å; V57-W75 HydrophobicContact CG1-CE3 4.43Å; V57-W75 HydrophobicContact CG1-CZ3 4.35Å; V57-W75 HydrophobicContact CG2-CE3 4.23Å; V57-W75 WeakPolarHBondContact O-CZ3 3.49Å; F60-W75 AromaticContact CE1-CE2 3.98Å; F60-W75 AromaticContact CE1-CH2 3.87Å; F60-W75 HydrophobicContact CE1-CH2 3.87Å; F60-W75 AromaticContact CE1-CZ2 3.6Å; F60-W75 HydrophobicContact CE1-CZ2 3.6Å; F60-W75 HydrophobicContact CE1-CZ3 4.48Å; F60-W75 AromaticContact CZ-CZ2 3.92Å; F60-W75 HydrophobicContact CZ-CZ2 3.92Å; T73-W75 PolarHBondContact O-N 3.45Å; W75-L77 PolarHBondContact O-N 3.39Å; W75-A78 WeakPolarHBondContact O-CB 3.45Å; W75-A78 PolarHBondContact O-N 3.32Å; W75-A78 VanDerWaalsContact O-N 3.15Å
76	N	95.3	Very high	89.8	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.053	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-64.7	-20.2	176.8	-71.6	-17.8	0	0	0	113.4	M70 T73 M74 A78 T91 Q92 T93	M70-N76 PolarHBondContact O-ND2 3.41Å; M70-N76 PolarHBondContact O-OD1 3.03Å; T73-N76 PolarHBondContact N-ND2 2.98Å; T73-N76 VanDerWaalsContact O-CB 3.3Å; T73-N76 WeakPolarHBondContact O-CB 3.37Å; T73-N76 PolarHBondContact O-N 3.46Å; T73-N76 VanDerWaalsContact O-N 3.1Å; M74-N76 PolarHBondContact O-N 2.86Å; N76-A78 PolarHBondContact O-N 2.81Å; N76-T91 PolarHBondContact ND2-O 2.84Å; N76-Q92 VanDerWaalsContact CB-O 3.23Å; N76-Q92 WeakPolarHBondContact CB-O 3.38Å; N76-Q92 VanDerWaalsContact ND2-C 3.27Å; N76-Q92 PolarHBondContact ND2-O 3.15Å; N76-T93 PolarHBondContact ND2-O 2.98Å
77	L	96.4	Very high	90.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-67.1	-15.5	174.1	-70.7	167.8	0	0	0	113.8	V57 M74 W75 G79 A94 V126 L128 L219 V222	V57-L77 HydrophobicContact CG2-CB 4.17Å; M74-L77 WeakPolarHBondContact O-CB 3.33Å; M74-L77 PolarHBondContact O-N 2.92Å; M74-L77 VanDerWaalsContact O-N 3.09Å; W75-L77 PolarHBondContact O-N 3.39Å; L77-G79 PolarHBondContact O-N 3.2Å; L77-A94 HydrophobicContact CD1-CB 3.82Å; L77-A94 HydrophobicContact CD2-CB 4.12Å; L77-A94 HydrophobicContact CG-CB 3.56Å; L77-V126 HydrophobicContact CD1-CG1 4.15Å; L77-V126 HydrophobicContact CD1-CG2 4.07Å; L77-L128 HydrophobicContact CB-CD2 4.03Å; L77-L128 HydrophobicContact CD1-CD2 4.18Å; L77-L219 HydrophobicContact CD2-CB 3.69Å; L77-V222 HydrophobicContact CD2-CG2 4.29Å
78	A	95.9	Very high	91.1	Very high	17 Å²	17	49.6 Å²	49.6	14%	0.14	28%	0.276	C	S	.	.	S	Bend	trans	-85.7	107.9	-176.9	0	0	0	0	0	112.3	R22 A54 V57 W75 N76	R22-A78 PolarHBondContact NH2-O 3.49Å; A54-A78 CarbonylContact O-C 3.55Å; A54-A78 WeakPolarHBondContact O-CA 3.48Å; V57-A78 HydrophobicContact CG2-CB 4.43Å; W75-A78 WeakPolarHBondContact O-CB 3.45Å; W75-A78 PolarHBondContact O-N 3.32Å; W75-A78 VanDerWaalsContact O-N 3.15Å; N76-A78 PolarHBondContact O-N 2.81Å
79	G	95.5	Very high	91.8	Very high	17 Å²	17	43.4 Å²	43.4	18%	0.175	24%	0.243	C	C	.	.	S	Bend	trans	116.2	-161.3	176.6	0	0	0	0	0	113.1	Y53 A54 L77	Y53-G79 WeakPolarHBondContact CB-O 3.33Å; Y53-G79 WeakPolarHBondContact CD1-O 3.41Å; A54-G79 PolarHBondContact O-N 2.95Å; L77-G79 PolarHBondContact O-N 3.2Å
80	I	95.6	Very high	92.3	Very high	120 Å²	120	42.9 Å²	42.9	62%	0.615	24%	0.235	S	C	*	.	S	Bend	trans	-68.9	151.6	176	59.7	173.5	0	0	0	110.9	Y53	Y53-I80 HydrophobicContact CD2-CG2 3.91Å; Y53-I80 HydrophobicContact CE2-CG2 3.88Å; Y53-I80 HydrophobicContact CG-CG2 4.27Å
81	P	95.1	Very high	92.7	Very high	34 Å²	34	39 Å²	39	22%	0.221	22%	0.218	C	C	.	.			trans	-57.5	142.9	176	21.5	-32.8	0	0	0	112	Y53 L142 D220 A221	Y53-P81 HydrophobicContact CE1-CG 4.43Å; P81-L142 HydrophobicContact CB-CD1 3.86Å; P81-L142 HydrophobicContact CG-CD1 3.86Å; P81-D220 WeakPolarHBondContact CA-OD2 3.18Å; P81-D220 WeakPolarHBondContact CB-OD2 3.07Å; P81-A221 HydrophobicContact CB-CB 4.1Å
82	N	90.6	Very high	92.8	Very high	103 Å²	103	41.2 Å²	41.2	55%	0.551	22%	0.224	S	C	*	.	S	Bend	trans	-94.6	-27.8	178	-62.8	-77.6	0	0	0	112.4	Q92 D220	N82-Q92 HydrophobicContact CB-CB 3.89Å; N82-D220 PolarHBondContact N-OD1 2.7Å; N82-D220 PolarHBondContact N-OD2 2.83Å
83	V	92.1	Very high	92.9	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.091	22%	0.22	C	C	.	.	S	Bend	trans	-128.9	-42.7	-162.4	172.8	0	0	0	0	112	S86 F90 Q92 T93 T144 D220	V83-S86 WeakPolarHBondContact O-CB 3.45Å; V83-S86 PolarHBondContact O-N 2.97Å; V83-S86 PolarHBondContact O-OG 2.63Å; V83-F90 HydrophobicContact CB-CD2 4.36Å; V83-F90 HydrophobicContact CB-CG 4.37Å; V83-F90 HydrophobicContact CG1-CB 4.14Å; V83-F90 HydrophobicContact CG1-CD1 4.05Å; V83-F90 HydrophobicContact CG1-CD2 3.16Å; V83-F90 HydrophobicContact CG1-CE1 4.22Å; V83-F90 HydrophobicContact CG1-CE2 3.34Å; V83-F90 HydrophobicContact CG1-CG 3.53Å; V83-F90 HydrophobicContact CG1-CZ 3.89Å; V83-F90 HydrophobicContact CG2-CB 3.76Å; V83-F90 HydrophobicContact CG2-CD1 4.23Å; V83-F90 HydrophobicContact CG2-CD2 4.35Å; V83-F90 HydrophobicContact CG2-CG 3.88Å; V83-Q92 HydrophobicContact CG2-CB 4.07Å; V83-T93 HydrophobicContact CG2-CG2 4.29Å; V83-T144 HydrophobicContact CB-CG2 4.32Å; V83-T144 HydrophobicContact CG1-CG2 4.04Å; V83-D220 PolarHBondContact N-OD2 3.32Å
84	Y	92.3	Very high	93.1	Very high	63 Å²	63	40.2 Å²	40.2	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	135.5	-178.9	-176.2	-87	0	0	0	110.4	L142 A187 Q189 D220	Y84-L142 HydrophobicContact CD1-CD1 3.86Å; Y84-L142 HydrophobicContact CD1-CD2 4.19Å; Y84-L142 HydrophobicContact CD1-CG 4.43Å; Y84-L142 HydrophobicContact CD2-CB 3.9Å; Y84-L142 HydrophobicContact CD2-CD2 4.42Å; Y84-L142 HydrophobicContact CE1-CD2 4.09Å; Y84-L142 HydrophobicContact CE2-CD2 4.34Å; Y84-L142 HydrophobicContact CG-CB 3.94Å; Y84-L142 HydrophobicContact CG-CD1 3.96Å; Y84-L142 HydrophobicContact CG-CD2 4.36Å; Y84-L142 HydrophobicContact CG-CG 4.31Å; Y84-A187 HydrophobicContact CD2-CB 4.15Å; Y84-A187 HydrophobicContact CE2-CB 4.13Å; Y84-Q189 HydrophobicContact CE2-CB 4.41Å; Y84-Q189 VanDerWaalsContact OH-CB 3.31Å; Y84-Q189 WeakPolarHBondContact OH-CB 3.43Å; Y84-D220 WeakPolarHBondContact CB-OD2 3.47Å; Y84-D220 PolarHBondContact N-OD2 3.44Å
85	P	92.9	Very high	93	Very high	100 Å²	100	40.3 Å²	40.3	65%	0.649	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	cis	-91	13.5	14.3	37.1	-37.4	0	0	0	115.5	A187	P85-A187 WeakPolarHBondContact O-CB 3.38Å
86	S	91.9	Very high	93	Very high	63 Å²	63	35.4 Å²	35.4	44%	0.441	20%	0.202	S	C	.	.			trans	-66.5	146.7	176.6	-45.5	0	0	0	0	110.6	V83	V83-S86 WeakPolarHBondContact O-CB 3.45Å; V83-S86 PolarHBondContact O-N 2.97Å; V83-S86 PolarHBondContact O-OG 2.63Å
87	S	89.6	Confident	92.7	Very high	20 Å²	20	36.2 Å²	36.2	14%	0.14	21%	0.205	C	C	.	.			trans	-118.4	139.3	178.1	-166	0	0	0	0	111.5	T144 P185 A187 Q620	S87-T144 VanDerWaalsContact CA-O 3.28Å; S87-T144 WeakPolarHBondContact CA-O 3.39Å; S87-T144 PolarHBondContact OG-O 3.13Å; S87-P185 PolarHBondContact OG-O 2.91Å; S87-A187 VanDerWaalsContact CB-N 3.26Å; S87-A187 PolarHBondContact OG-N 2.95Å; S87-Q620 PolarHBondContact O-NE2 3.24Å; S87-Q620 PolarHBondContact O-OE1 2.72Å
88	G	88.5	Confident	92.3	Very high	3 Å²	3	38 Å²	38	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	148	179.9	-174.7	0	0	0	0	0	111.3	F90 T144 Y145	G88-F90 VanDerWaalsContact C-CD2 3.46Å; G88-F90 WeakPolarHBondContact O-CD2 3.47Å; G88-T144 PolarHBondContact N-O 3.28Å; G88-T144 VanDerWaalsContact N-O 3.16Å; G88-Y145 WeakPolarHBondContact O-CB 3.23Å
89	D	89.1	Confident	92	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	21%	0.21	C	C	.	.			trans	-87.2	109.1	178.1	-174	-42.2	0	0	0	109.7	Y72 Y145 E218 F593 S617 T619	Y72-D89 VanDerWaalsContact CE1-OD1 3.22Å; Y72-D89 WeakPolarHBondContact CE1-OD1 3.25Å; Y72-D89 VanDerWaalsContact CZ-OD1 3.31Å; Y72-D89 PolarHBondContact OH-OD1 2.81Å; D89-Y145 HydrophobicContact CB-CD1 4.04Å; D89-Y145 HydrophobicContact CB-CE1 3.72Å; D89-E218 VanDerWaalsContact CA-OE1 3.24Å; D89-E218 WeakPolarHBondContact CA-OE1 3.49Å; D89-F593 HydrophobicContact CB-CZ 4.08Å; D89-F593 VanDerWaalsContact CG-CZ 3.46Å; D89-F593 VanDerWaalsContact OD2-CE2 3.31Å; D89-F593 WeakPolarHBondContact OD2-CE2 3.44Å; D89-F593 VanDerWaalsContact OD2-CZ 3.26Å; D89-F593 WeakPolarHBondContact OD2-CZ 3.37Å; D89-S617 VanDerWaalsContact CB-OG 3.28Å; D89-S617 WeakPolarHBondContact CB-OG 2.99Å; D89-S617 PolarHBondContact OD2-OG 3.49Å; D89-T619 WeakPolarHBondContact O-CG2 3.35Å
90	F	91	Very high	91.7	Very high	37 Å²	37	37 Å²	37	16%	0.162	21%	0.205	C	C	.	.			trans	-125	126	-173.8	-66.5	-82.5	0	0	0	111.5	V83 G88 Q92 T93 E218	V83-F90 HydrophobicContact CB-CD2 4.36Å; V83-F90 HydrophobicContact CB-CG 4.37Å; V83-F90 HydrophobicContact CG1-CB 4.14Å; V83-F90 HydrophobicContact CG1-CD1 4.05Å; V83-F90 HydrophobicContact CG1-CD2 3.16Å; V83-F90 HydrophobicContact CG1-CE1 4.22Å; V83-F90 HydrophobicContact CG1-CE2 3.34Å; V83-F90 HydrophobicContact CG1-CG 3.53Å; V83-F90 HydrophobicContact CG1-CZ 3.89Å; V83-F90 HydrophobicContact CG2-CB 3.76Å; V83-F90 HydrophobicContact CG2-CD1 4.23Å; V83-F90 HydrophobicContact CG2-CD2 4.35Å; V83-F90 HydrophobicContact CG2-CG 3.88Å; G88-F90 VanDerWaalsContact C-CD2 3.46Å; G88-F90 WeakPolarHBondContact O-CD2 3.47Å; F90-Q92 PolarHBondContact O-N 2.96Å; F90-T93 HydrophobicContact CB-CG2 3.98Å; F90-T93 PolarHBondContact O-N 2.58Å; F90-T93 VanDerWaalsContact O-N 3.11Å; F90-T93 PolarHBondContact O-OG1 2.75Å; F90-E218 PolarHBondContact N-OE1 2.81Å; F90-E218 PolarHBondContact N-OE2 3.47Å
91	T	91.1	Very high	91.3	Very high	44 Å²	44	34 Å²	34	27%	0.27	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.3	178.3	65	0	0	0	0	113.9	S71 Y72 N76 T93	S71-T91 CarbonylContact C-O 3.48Å; S71-T91 WeakPolarHBondContact CA-O 3.41Å; Y72-T91 HydrophobicContact CD2-CG2 4.49Å; Y72-T91 HydrophobicContact CE1-CG2 4.39Å; Y72-T91 HydrophobicContact CE2-CG2 3.72Å; Y72-T91 PolarHBondContact N-O 3.28Å; N76-T91 PolarHBondContact ND2-O 2.84Å; T91-T93 VanDerWaalsContact C-N 3.26Å; T91-T93 PolarHBondContact O-N 2.82Å
92	Q	92.5	Very high	90.7	Very high	87 Å²	87	34.7 Å²	34.7	41%	0.407	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.3	-178.2	-61.3	79.8	-0.2	0	0	113.4	N76 N82 V83 F90	N76-Q92 VanDerWaalsContact CB-O 3.23Å; N76-Q92 WeakPolarHBondContact CB-O 3.38Å; N76-Q92 VanDerWaalsContact ND2-C 3.27Å; N76-Q92 PolarHBondContact ND2-O 3.15Å; N82-Q92 HydrophobicContact CB-CB 3.89Å; V83-Q92 HydrophobicContact CG2-CB 4.07Å; F90-Q92 PolarHBondContact O-N 2.96Å
93	T	94	Very high	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-102.6	171.3	-179.5	65.8	0	0	0	0	111.2	Y72 N76 V83 F90 T91 T144 E218 D220	Y72-T93 CarbonylContact C-O 3.39Å; Y72-T93 VanDerWaalsContact CA-O 3.23Å; Y72-T93 WeakPolarHBondContact CA-O 3.4Å; N76-T93 PolarHBondContact ND2-O 2.98Å; V83-T93 HydrophobicContact CG2-CG2 4.29Å; F90-T93 HydrophobicContact CB-CG2 3.98Å; F90-T93 PolarHBondContact O-N 2.58Å; F90-T93 VanDerWaalsContact O-N 3.11Å; F90-T93 PolarHBondContact O-OG1 2.75Å; T91-T93 VanDerWaalsContact C-N 3.26Å; T91-T93 PolarHBondContact O-N 2.82Å; T93-T144 WeakPolarHBondContact CG2-OG1 3.17Å; T93-E218 HydrophobicContact CG2-CB 4.3Å; T93-E218 WeakPolarHBondContact CG2-OE2 3.28Å; T93-E218 WeakPolarHBondContact OG1-CB 3.25Å; T93-E218 WeakPolarHBondContact OG1-CG 3.01Å; T93-E218 PolarHBondContact OG1-OE2 3.32Å; T93-D220 HydrophobicContact CG2-CB 4.32Å
94	A	95.4	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.7	174.3	0	0	0	0	0	111.3	T73 M74 L77 L219	T73-A94 WeakPolarHBondContact O-CA 3.31Å; M74-A94 HydrophobicContact SD-CB 3.96Å; L77-A94 HydrophobicContact CD1-CB 3.82Å; L77-A94 HydrophobicContact CD2-CB 4.12Å; L77-A94 HydrophobicContact CG-CB 3.56Å; A94-L219 PolarHBondContact N-O 2.77Å; A94-L219 PolarHBondContact O-N 3.35Å
95	V	94.3	Very high	89.2	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.2	-171	-173.3	0	0	0	0	110.9	H63 Y64 Y72 M74 Y216 E218	H63-V95 CarbonylContact C-O 3.26Å; Y64-V95 WeakPolarHBondContact CB-O 3.21Å; Y64-V95 HydrophobicContact CG-CG1 4.26Å; Y64-V95 PolarHBondContact N-O 3.31Å; Y72-V95 HydrophobicContact CD1-CG2 3.65Å; Y72-V95 HydrophobicContact CG-CG2 4.3Å; M74-V95 WeakPolarHBondContact CE-O 3.41Å; V95-Y216 HydrophobicContact CG1-CD1 3.85Å; V95-Y216 HydrophobicContact CG1-CG 3.93Å; V95-E218 HydrophobicContact CG2-CG 3.73Å
96	F	94.1	Very high	88.5	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.009	19%	0.186	C	C	.	.			trans	-77.3	157.9	174.6	-68.3	-83.3	0	0	0	111.3	M74 T98 D124 V126 V208 Y216 T217 L219	M74-F96 HydrophobicContact CE-CB 4.22Å; M74-F96 HydrophobicContact CE-CD1 3.43Å; M74-F96 VanDerWaalsContact CE-CD1 3.43Å; M74-F96 HydrophobicContact CE-CD2 3.83Å; M74-F96 HydrophobicContact CE-CE1 3.59Å; M74-F96 HydrophobicContact CE-CE2 3.98Å; M74-F96 HydrophobicContact CE-CG 3.57Å; M74-F96 HydrophobicContact CE-CZ 3.87Å; M74-F96 HydrophobicContact SD-CE1 4.1Å; M74-F96 HydrophobicContact SD-CE2 4.4Å; M74-F96 HydrophobicContact SD-CZ 4.04Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 2.95Å; F96-D124 HydrophobicContact CD1-CB 3.52Å; F96-D124 HydrophobicContact CE1-CB 3.76Å; F96-D124 HydrophobicContact CG-CB 4.18Å; F96-V126 HydrophobicContact CZ-CB 4.18Å; F96-V126 HydrophobicContact CZ-CG1 4.13Å; F96-V208 HydrophobicContact CD1-CG2 4.29Å; F96-V208 HydrophobicContact CD2-CG2 3.7Å; F96-V208 HydrophobicContact CE1-CG2 4.18Å; F96-V208 HydrophobicContact CE2-CB 4.32Å; F96-V208 HydrophobicContact CE2-CG1 3.85Å; F96-V208 HydrophobicContact CE2-CG2 3.58Å; F96-V208 HydrophobicContact CG-CG2 4.05Å; F96-V208 HydrophobicContact CZ-CG1 4.28Å; F96-V208 HydrophobicContact CZ-CG2 3.83Å; F96-Y216 WeakPolarHBondContact O-CD1 3.26Å; F96-T217 HydrophobicContact CD2-CG2 4.29Å; F96-L219 HydrophobicContact CE2-CD1 4.32Å
97	R	89.1	Confident	87.8	Confident	27 Å²	27	34.6 Å²	34.6	10%	0.102	18%	0.177	C	C	.	.	S	Bend	trans	-70.1	-28.2	-172.8	-176	177.7	178.1	-166.8	0.6	113.5	S62 Y216 Y433 D484 D510	S62-R97 PolarHBondContact OG-N 3.39Å; R97-Y216 WeakPolarHBondContact O-CE1 3.07Å; R97-Y433 VanDerWaalsContact NH1-CD2 3.31Å; R97-D484 IonicContact CZ-OD1 3.39Å; R97-D484 IonicContact CZ-OD2 2.67Å; R97-D484 VanDerWaalsContact CZ-OD2 3.23Å; R97-D484 IonicContact NH1-OD1 3.85Å; R97-D484 IonicContact NH1-OD2 2.94Å; R97-D484 PolarHBondContact NH1-OD2 2.93Å; R97-D484 IonicContact NH2-OD1 3.43Å; R97-D484 PolarHBondContact NH2-OD1 2.96Å; R97-D484 IonicContact NH2-OD2 2.85Å; R97-D484 PolarHBondContact NH2-OD2 3.37Å; R97-D510 IonicContact NH2-OD2 3.25Å; R97-D510 PolarHBondContact NH2-OD2 3.07Å
98	T	87.1	Confident	87.6	Confident	37 Å²	37	34.6 Å²	34.6	23%	0.227	18%	0.177	C	C	.	.			trans	-121	149.3	-169.1	68.5	0	0	0	0	112.4	F96 W103	F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 2.95Å; T98-W103 HydrophobicContact CG2-CD2 4.25Å; T98-W103 HydrophobicContact CG2-CZ2 4.14Å
99	Y	89.8	Confident	87.4	Confident	9 Å²	9	36 Å²	36	4%	0.035	19%	0.188	C	C	.	.			trans	-150.5	159.3	174	71.1	-86.9	0	0	0	110.9	W103 D214 Y215 Y216	Y99-W103 PolarHBondContact O-NE1 2.88Å; Y99-D214 WeakPolarHBondContact CE2-O 3.43Å; Y99-Y215 VanDerWaalsContact CD2-CA 3.45Å; Y99-Y215 HydrophobicContact CE1-CD2 4.35Å; Y99-Y215 HydrophobicContact CE1-CE2 4.39Å; Y99-Y215 AromaticContact CE2-CD2 3.88Å; Y99-Y215 HydrophobicContact CE2-CD2 3.88Å; Y99-Y215 AromaticContact CZ-CD2 3.73Å; Y99-Y215 AromaticContact CZ-CE2 3.92Å; Y99-Y216 AromaticContact CD1-CD1 3.52Å; Y99-Y216 HydrophobicContact CD1-CD1 3.52Å; Y99-Y216 HydrophobicContact CD1-CD2 4.12Å; Y99-Y216 AromaticContact CD1-CE1 3.34Å; Y99-Y216 HydrophobicContact CD1-CE1 3.34Å; Y99-Y216 AromaticContact CD1-CE2 3.95Å; Y99-Y216 HydrophobicContact CD1-CE2 3.95Å; Y99-Y216 AromaticContact CD1-CG 3.9Å; Y99-Y216 HydrophobicContact CD1-CG 3.9Å; Y99-Y216 AromaticContact CD1-CZ 3.55Å; Y99-Y216 HydrophobicContact CE1-CD1 4.14Å; Y99-Y216 HydrophobicContact CE1-CD2 4.01Å; Y99-Y216 AromaticContact CE1-CE1 3.69Å; Y99-Y216 HydrophobicContact CE1-CE1 3.69Å; Y99-Y216 AromaticContact CE1-CE2 3.53Å; Y99-Y216 HydrophobicContact CE1-CE2 3.53Å; Y99-Y216 HydrophobicContact CE1-CG 4.27Å; Y99-Y216 AromaticContact CE1-CZ 3.34Å; Y99-Y216 HydrophobicContact CG-CD1 4.38Å
100	G	88.8	Confident	87.2	Confident	6 Å²	6	41.2 Å²	41.2	6%	0.062	21%	0.208	C	C	.	.	S	Bend	trans	63.9	-172	-179.9	0	0	0	0	0	113.7	S210 S211 L213	G100-S210 PolarHBondContact N-O 3.38Å; G100-S211 CarbonylContact C-O 3.43Å; G100-S211 WeakPolarHBondContact CA-O 3.47Å; G100-L213 WeakPolarHBondContact CA-O 3.49Å; G100-L213 PolarHBondContact N-O 3.5Å
101	T	87.6	Confident	86.9	Confident	56 Å²	56	45.1 Å²	45.1	34%	0.344	23%	0.23	S	C	.	.	S	Bend	trans	-99.3	8.9	179.2	58.1	0	0	0	0	113	W103 D104 H105	T101-W103 PolarHBondContact O-N 3.33Å; T101-W103 VanDerWaalsContact O-N 3.08Å; T101-D104 WeakPolarHBondContact O-CB 3.36Å; T101-D104 PolarHBondContact O-N 3.46Å; T101-H105 PolarHBondContact O-ND1 2.72Å
102	W	83.6	Confident	86.7	Confident	48 Å²	48	48 Å²	48	18%	0.182	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.3	-172.8	-52.7	109.7	0	0	0	112.8	D104 K536 Q562 L588 F613	W102-D104 VanDerWaalsContact C-N 3.34Å; W102-K536 PolarHBondContact O-NZ 2.74Å; W102-Q562 PolarHBondContact O-NE2 3.25Å; W102-L588 HydrophobicContact CB-CD2 4.21Å; W102-L588 HydrophobicContact CD2-CB 4.3Å; W102-L588 HydrophobicContact CD2-CD1 4.3Å; W102-L588 HydrophobicContact CD2-CD2 3.83Å; W102-L588 HydrophobicContact CD2-CG 4.38Å; W102-L588 HydrophobicContact CE3-CB 4.03Å; W102-L588 HydrophobicContact CE3-CD2 4.33Å; W102-L588 HydrophobicContact CG-CD2 3.74Å; W102-L588 HydrophobicContact CH2-CB 4.43Å; W102-L588 HydrophobicContact CH2-CD1 4.35Å; W102-L588 HydrophobicContact CZ2-CD1 3.9Å; W102-L588 HydrophobicContact CZ3-CB 4.1Å; W102-F613 HydrophobicContact CH2-CB 3.78Å; W102-F613 HydrophobicContact CH2-CG 4.32Å; W102-F613 HydrophobicContact CZ2-CB 4.05Å; W102-F613 HydrophobicContact CZ2-CD2 4.35Å; W102-F613 HydrophobicContact CZ2-CG 4.16Å
103	W	82.4	Confident	86.6	Confident	70 Å²	70	44.9 Å²	44.9	27%	0.265	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-78.2	-13	177.4	-40.3	92.4	0	0	0	113.9	T98 Y99 T101 H105 C106 A109 F538	T98-W103 HydrophobicContact CG2-CD2 4.25Å; T98-W103 HydrophobicContact CG2-CZ2 4.14Å; Y99-W103 PolarHBondContact O-NE1 2.88Å; T101-W103 PolarHBondContact O-N 3.33Å; T101-W103 VanDerWaalsContact O-N 3.08Å; W103-H105 VanDerWaalsContact C-N 3.35Å; W103-C106 PolarHBondContact O-SG 3.44Å; W103-A109 WeakPolarHBondContact O-CB 3.3Å; W103-F538 HydrophobicContact CH2-CD2 4.38Å; W103-F538 AromaticContact CH2-CE2 3.45Å; W103-F538 HydrophobicContact CH2-CE2 3.45Å; W103-F538 VanDerWaalsContact CH2-CE2 3.45Å; W103-F538 HydrophobicContact CH2-CZ 4.08Å; W103-F538 HydrophobicContact CZ2-CE2 4.44Å; W103-F538 AromaticContact CZ3-CE2 3.56Å; W103-F538 HydrophobicContact CZ3-CE2 3.56Å; W103-F538 HydrophobicContact CZ3-CZ 4.27Å
104	D	82.6	Confident	86.1	Confident	98 Å²	98	51.8 Å²	51.8	52%	0.524	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-87.5	-14.1	176.2	-56.3	-43.9	0	0	0	111.6	T101 W102 A109	T101-D104 WeakPolarHBondContact O-CB 3.36Å; T101-D104 PolarHBondContact O-N 3.46Å; W102-D104 VanDerWaalsContact C-N 3.34Å; D104-A109 WeakPolarHBondContact O-CB 3.25Å
105	H	78.2	Confident	85.6	Confident	119 Å²	119	53.6 Å²	53.6	55%	0.551	27%	0.271	S	S	*	.	S	Bend	trans	-107.1	14.4	-175.6	-56.9	86.1	0	0	0	112.7	T101 W103	T101-H105 PolarHBondContact O-ND1 2.72Å; W103-H105 VanDerWaalsContact C-N 3.35Å
106	C	78.3	Confident	85.2	Confident	15 Å²	15	56.5 Å²	56.5	10%	0.101	29%	0.286	C	S	.	.	S	Bend	trans	-87.9	155	173.2	10.9	0	0	0	0	113.1	W103 S108 A109 E508 K536	W103-C106 PolarHBondContact O-SG 3.44Å; C106-S108 WeakPolarHBondContact CB-OG 3.2Å; C106-S108 PolarHBondContact O-N 3.19Å; C106-S108 PolarHBondContact SG-OG 2.66Å; C106-S108 VanDerWaalsContact SG-OG 3.37Å; C106-A109 WeakPolarHBondContact O-CB 3.33Å; C106-A109 PolarHBondContact O-N 2.93Å; C106-E508 VanDerWaalsContact CB-CD 3.48Å; C106-E508 HydrophobicContact CB-CG 4.49Å; C106-E508 WeakPolarHBondContact CB-OE1 3.45Å; C106-K536 HydrophobicContact CB-CD 4.05Å; C106-K536 VanDerWaalsContact CB-CE 3.42Å; C106-K536 PolarHBondContact SG-NZ 3.09Å
107	P	76.6	Confident	85	Confident	41 Å²	41	57.1 Å²	57.1	27%	0.266	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-33	157.6	-27.5	31.1	0	0	0	115.4	A109 E507 E508	P107-A109 VanDerWaalsContact C-N 3.32Å; P107-E507 WeakPolarHBondContact CB-OE2 3.18Å; P107-E507 HydrophobicContact CG-CB 3.98Å; P107-E507 WeakPolarHBondContact CG-OE2 3.38Å; P107-E508 WeakPolarHBondContact CA-OE1 3.45Å; P107-E508 WeakPolarHBondContact CB-OE1 3.25Å; P107-E508 WeakPolarHBondContact CD-OE1 3.46Å
108	S	85.1	Confident	84.8	Confident	20 Å²	20	61.9 Å²	61.9	14%	0.14	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.4	174.8	68.5	0	0	0	0	114.7	C106 R429 E508	C106-S108 WeakPolarHBondContact CB-OG 3.2Å; C106-S108 PolarHBondContact O-N 3.19Å; C106-S108 PolarHBondContact SG-OG 2.66Å; C106-S108 VanDerWaalsContact SG-OG 3.37Å; S108-R429 PolarHBondContact O-NH1 2.72Å; S108-R429 PolarHBondContact O-NH2 3.37Å; S108-E508 WeakPolarHBondContact CB-OE1 3.42Å; S108-E508 WeakPolarHBondContact CB-OE2 3.11Å; S108-E508 PolarHBondContact N-OE1 3.16Å; S108-E508 VanDerWaalsContact OG-CD 3.26Å; S108-E508 PolarHBondContact OG-OE1 3.45Å; S108-E508 PolarHBondContact OG-OE2 2.98Å
109	A	85.6	Confident	84.7	Confident	32 Å²	32	64.7 Å²	64.7	26%	0.264	34%	0.342	S	S	.	.			trans	-60.8	147.5	178.6	0	0	0	0	0	111.1	W103 D104 C106 P107	W103-A109 WeakPolarHBondContact O-CB 3.3Å; D104-A109 WeakPolarHBondContact O-CB 3.25Å; C106-A109 WeakPolarHBondContact O-CB 3.33Å; C106-A109 PolarHBondContact O-N 2.93Å; P107-A109 VanDerWaalsContact C-N 3.32Å
110	R	83.7	Confident	84.7	Confident	114 Å²	114	65.3 Å²	65.3	43%	0.43	35%	0.345	S	S	.	.			trans	-104.4	144.4	-170	-58.4	168.4	-160.1	-159.6	24.6	109.9	R378 E380	R110-R378 VanDerWaalsContact CG-NH2 3.26Å; R110-E380 IonicContact CZ-OE1 2.95Å; R110-E380 IonicContact NH1-OE1 2.69Å; R110-E380 PolarHBondContact NH1-OE1 3.15Å; R110-E380 IonicContact NH1-OE2 2.84Å; R110-E380 PolarHBondContact NH1-OE2 3.1Å
111	L	86.1	Confident	84.9	Confident	120 Å²	120	66.2 Å²	66.2	63%	0.628	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-65.1	129.4	163.2	-69.1	173.9	0	0	0	109.2	W348	L111-W348 HydrophobicContact CB-CH2 3.54Å; L111-W348 HydrophobicContact CB-CZ3 3.86Å; L111-W348 HydrophobicContact CD1-CH2 3.78Å; L111-W348 HydrophobicContact CD1-CZ2 4.39Å; L111-W348 HydrophobicContact CG-CH2 4.31Å
112	P	86.7	Confident	85.2	Confident	103 Å²	103	63.9 Å²	63.9	67%	0.669	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-68.2	152.5	-178.9	27.8	-34.4	0	0	0	111.1
113	F	89.1	Confident	85.6	Confident	23 Å²	23	65 Å²	65	10%	0.101	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-67.1	145	169.6	-74.5	-100.9	0	0	0	110.2	I116 H321 W348 N350 E380	F113-I116 HydrophobicContact CB-CD1 4.03Å; F113-I116 HydrophobicContact CB-CG1 4.09Å; F113-H321 HydrophobicContact CD1-CB 4.36Å; F113-W348 HydrophobicContact CD1-CB 4.37Å; F113-W348 HydrophobicContact CE1-CB 3.6Å; F113-W348 HydrophobicContact CZ-CB 4.05Å; F113-N350 HydrophobicContact CD1-CB 4.4Å; F113-N350 HydrophobicContact CD2-CB 4.34Å; F113-N350 HydrophobicContact CE1-CB 3.78Å; F113-N350 HydrophobicContact CE2-CB 3.73Å; F113-N350 HydrophobicContact CZ-CB 3.44Å; F113-N350 VanDerWaalsContact CZ-CB 3.44Å; F113-E380 HydrophobicContact CE2-CG 4.22Å; F113-E380 HydrophobicContact CZ-CG 4.19Å
114	K	83.8	Confident	86.2	Confident	144 Å²	144	62.3 Å²	62.3	63%	0.626	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	160.6	169.7	-63	-179	178.7	178.4	0	109.5	I116	K114-I116 VanDerWaalsContact C-N 3.26Å; K114-I116 PolarHBondContact O-N 3.14Å
115	R	85.3	Confident	86.9	Confident	39 Å²	39	57.7 Å²	57.7	15%	0.147	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	22.9	173.7	-50	173.9	-175	-79.4	-2.4	116.6	L291 S292 L294 Q318	R115-L291 PolarHBondContact NH1-O 3.39Å; R115-S292 PolarHBondContact NH1-O 3.43Å; R115-L294 PolarHBondContact NH1-O 3.03Å; R115-Q318 PolarHBondContact NE-O 3.03Å; R115-Q318 PolarHBondContact NH2-O 2.88Å; R115-Q318 VanDerWaalsContact NH2-O 3.07Å
116	I	86.8	Confident	87.8	Confident	64 Å²	64	52 Å²	52	33%	0.328	28%	0.283	S	S	.	.			trans	-66.9	129.2	167.4	-59.4	176.4	0	0	0	107.3	F113 K114 F120 P326	F113-I116 HydrophobicContact CB-CD1 4.03Å; F113-I116 HydrophobicContact CB-CG1 4.09Å; K114-I116 VanDerWaalsContact C-N 3.26Å; K114-I116 PolarHBondContact O-N 3.14Å; I116-F120 HydrophobicContact CG2-CB 3.99Å; I116-F120 HydrophobicContact CG2-CD1 3.8Å; I116-F120 HydrophobicContact CG2-CG 4.3Å; I116-P326 HydrophobicContact CG2-CG 4.13Å
117	P	88.4	Confident	88.6	Confident	14 Å²	14	51.3 Å²	51.3	9%	0.091	28%	0.278	C	S	.	.			trans	-55.2	136.7	174.9	-25.4	34.6	0	0	0	110.7	T119 F120 T295 P326 Y327	P117-T119 PolarHBondContact O-N 3.17Å; P117-T119 VanDerWaalsContact O-N 3.09Å; P117-F120 HydrophobicContact CB-CB 4.31Å; P117-F120 WeakPolarHBondContact O-CB 3.31Å; P117-F120 PolarHBondContact O-N 3.15Å; P117-T295 HydrophobicContact CB-CG2 4.25Å; P117-T295 HydrophobicContact CG-CG2 4.1Å; P117-P326 HydrophobicContact CG-CB 4.1Å; P117-Y327 HydrophobicContact CG-CE1 3.99Å; P117-Y327 WeakPolarHBondContact CG-OH 3.24Å
118	P	84.5	Confident	89.6	Confident	127 Å²	127	49.4 Å²	49.4	83%	0.825	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.9	178.7	25.4	-34.2	0	0	0	112.5	F120	P118-F120 VanDerWaalsContact C-N 3.25Å; P118-F120 PolarHBondContact O-N 3.45Å
119	T	86.2	Confident	90.2	Very high	97 Å²	97	48.5 Å²	48.5	60%	0.595	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.2	173.7	56	0	0	0	0	113.4	P117 R152	P117-T119 PolarHBondContact O-N 3.17Å; P117-T119 VanDerWaalsContact O-N 3.09Å; T119-R152 PolarHBondContact O-NH2 3Å
120	F	90.3	Very high	90.8	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.096	25%	0.247	C	C	.	.			trans	-98.7	100.1	177.7	-171.7	-87.4	0	0	0	111.2	I116 P117 P118 Q325 P326 W353	I116-F120 HydrophobicContact CG2-CB 3.99Å; I116-F120 HydrophobicContact CG2-CD1 3.8Å; I116-F120 HydrophobicContact CG2-CG 4.3Å; P117-F120 HydrophobicContact CB-CB 4.31Å; P117-F120 WeakPolarHBondContact O-CB 3.31Å; P117-F120 PolarHBondContact O-N 3.15Å; P118-F120 VanDerWaalsContact C-N 3.25Å; P118-F120 PolarHBondContact O-N 3.45Å; F120-Q325 HydrophobicContact CZ-CG 4.03Å; F120-P326 HydrophobicContact CB-CB 4.08Å; F120-P326 HydrophobicContact CB-CG 4.42Å; F120-P326 HydrophobicContact CD1-CB 4.21Å; F120-P326 HydrophobicContact CD1-CG 3.89Å; F120-P326 VanDerWaalsContact CD2-CA 3.48Å; F120-P326 HydrophobicContact CD2-CB 3.64Å; F120-P326 HydrophobicContact CD2-CG 4.21Å; F120-P326 HydrophobicContact CE1-CG 4.21Å; F120-P326 HydrophobicContact CE2-CB 4.18Å; F120-P326 HydrophobicContact CG-CB 3.7Å; F120-P326 HydrophobicContact CG-CG 3.9Å; F120-W353 HydrophobicContact CE2-CZ3 4.15Å; F120-W353 HydrophobicContact CZ-CE3 4.36Å; F120-W353 HydrophobicContact CZ-CH2 4.23Å; F120-W353 AromaticContact CZ-CZ3 3.61Å; F120-W353 HydrophobicContact CZ-CZ3 3.61Å
121	C	91.6	Very high	91.3	Very high	24 Å²	24	47.2 Å²	47.2	16%	0.162	25%	0.252	C	S	.	.			trans	-116.3	0.3	177.6	54.2	0	0	0	0	112.7	Q123 V151 N209	C121-Q123 PolarHBondContact O-N 2.9Å; C121-V151 VanDerWaalsContact SG-CB 3.6Å; C121-N209 VanDerWaalsContact O-CB 3.31Å; C121-N209 WeakPolarHBondContact O-CB 3.45Å; C121-N209 PolarHBondContact O-ND2 2.82Å
122	S	93.9	Very high	91.6	Very high	8 Å²	8	45 Å²	45	6%	0.056	24%	0.239	C	C	.	.			trans	-62.8	128.5	-175.2	-51.3	0	0	0	0	112.5	E207	S122-E207 VanDerWaalsContact CB-OE2 3.31Å; S122-E207 WeakPolarHBondContact CB-OE2 3.34Å; S122-E207 WeakPolarHBondContact OG-CB 3.23Å; S122-E207 PolarHBondContact OG-OE2 2.75Å
123	Q	92.8	Very high	92	Very high	71 Å²	71	43.5 Å²	43.5	33%	0.332	23%	0.229	S	C	.	.			trans	-106.3	-40.7	176.1	-68.2	-179.1	-46.7	0	0	111.8	C121 V208 N209 W353	C121-Q123 PolarHBondContact O-N 2.9Å; Q123-V208 PolarHBondContact N-O 3.33Å; Q123-N209 HydrophobicContact CG-CB 4.4Å; Q123-N209 PolarHBondContact OE1-OD1 2.74Å; Q123-W353 WeakPolarHBondContact O-CZ2 3.25Å
124	D	95.4	Very high	92.3	Very high	14 Å²	14	42.4 Å²	42.4	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.5	-179	-82	-66.9	0	0	0	110.5	S61 S62 F96 E207 V208	S61-D124 WeakPolarHBondContact CB-OD1 3.41Å; S61-D124 WeakPolarHBondContact OG-CA 3.02Å; S61-D124 WeakPolarHBondContact OG-CB 3.5Å; S61-D124 VanDerWaalsContact OG-CG 3.31Å; S61-D124 PolarHBondContact OG-OD1 2.67Å; S62-D124 VanDerWaalsContact CB-OD1 3.3Å; S62-D124 WeakPolarHBondContact CB-OD1 3.4Å; S62-D124 VanDerWaalsContact OG-CG 3.22Å; S62-D124 PolarHBondContact OG-OD1 3.3Å; S62-D124 PolarHBondContact OG-OD2 3.32Å; F96-D124 HydrophobicContact CD1-CB 3.52Å; F96-D124 HydrophobicContact CE1-CB 3.76Å; F96-D124 HydrophobicContact CG-CB 4.18Å; D124-E207 WeakPolarHBondContact O-CA 3.09Å; D124-V208 HydrophobicContact CB-CG2 3.56Å; D124-V208 PolarHBondContact N-O 3.26Å; D124-V208 VanDerWaalsContact N-O 3.14Å; D124-V208 PolarHBondContact O-N 3.14Å
125	Y	96.3	Very high	92.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161.2	174.8	74.5	-91.2	0	0	0	112.9	D59 F60 S61 E127 R205 L206 W353 C383	D59-Y125 HydrophobicContact CB-CE2 4.31Å; D59-Y125 VanDerWaalsContact OD2-CE2 3.26Å; D59-Y125 WeakPolarHBondContact OD2-CE2 3.42Å; D59-Y125 VanDerWaalsContact OD2-CZ 3.32Å; D59-Y125 PolarHBondContact OD2-OH 3.14Å; F60-Y125 WeakPolarHBondContact CA-O 3.42Å; F60-Y125 WeakPolarHBondContact CB-O 3.49Å; S61-Y125 PolarHBondContact N-O 2.99Å; S61-Y125 VanDerWaalsContact N-O 3.09Å; S61-Y125 PolarHBondContact OG-N 3.25Å; S61-Y125 PolarHBondContact OG-O 3.35Å; Y125-E127 HydrophobicContact CD2-CG 4Å; Y125-E127 HydrophobicContact CE2-CG 4.02Å; Y125-R205 HydrophobicContact CD2-CG 4.47Å; Y125-R205 VanDerWaalsContact CD2-CZ 3.43Å; Y125-R205 VanDerWaalsContact CD2-NH1 3.31Å; Y125-R205 VanDerWaalsContact CE2-NH1 3.28Å; Y125-L206 CarbonylContact C-O 3.56Å; Y125-L206 WeakPolarHBondContact CA-O 3.45Å; Y125-L206 WeakPolarHBondContact CB-O 3.47Å; Y125-W353 AromaticContact CD1-CD2 3.99Å; Y125-W353 HydrophobicContact CD1-CD2 3.99Å; Y125-W353 AromaticContact CD1-CE2 3.74Å; Y125-W353 HydrophobicContact CD1-CG 4.26Å; Y125-W353 HydrophobicContact CD1-CZ2 4.1Å; Y125-W353 AromaticContact CD1-NE1 3.9Å; Y125-W353 AromaticContact CE1-CD1 3.58Å; Y125-W353 HydrophobicContact CE1-CD2 4.08Å; Y125-W353 AromaticContact CE1-CE2 3.92Å; Y125-W353 AromaticContact CE1-CG 3.86Å; Y125-W353 HydrophobicContact CE1-CG 3.86Å; Y125-W353 AromaticContact CE1-NE1 3.62Å; Y125-C383 HydrophobicContact CE1-CB 4.16Å; Y125-C383 WeakPolarHBondContact OH-CB 3.35Å; Y125-C383 PolarHBondContact OH-SG 3.24Å
126	V	97.1	Very high	93.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.9	165.8	60.9	0	0	0	0	110.1	V57 D59 F60 L77 F96 L128 R205 L206	V57-V126 HydrophobicContact CG1-CG2 3.62Å; D59-V126 CarbonylContact O-C 3.58Å; D59-V126 WeakPolarHBondContact O-CA 3.02Å; F60-V126 HydrophobicContact CB-CB 4.22Å; F60-V126 HydrophobicContact CB-CG2 4.2Å; L77-V126 HydrophobicContact CD1-CG1 4.15Å; L77-V126 HydrophobicContact CD1-CG2 4.07Å; F96-V126 HydrophobicContact CZ-CB 4.18Å; F96-V126 HydrophobicContact CZ-CG1 4.13Å; V126-L128 HydrophobicContact CG2-CD2 3.9Å; V126-L128 HydrophobicContact CG2-CG 4.34Å; V126-R205 WeakPolarHBondContact O-CA 3.42Å; V126-L206 HydrophobicContact CG1-CB 3.94Å; V126-L206 HydrophobicContact CG1-CD1 4.45Å; V126-L206 HydrophobicContact CG1-CG 4.48Å; V126-L206 PolarHBondContact N-O 3.08Å; V126-L206 PolarHBondContact O-N 3.48Å
127	E	96.3	Very high	93.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.6	175	-61	-168.6	177.5	0	0	109.7	V57 L58 D59 Y125 Y161 L203 R205 R357	V57-E127 CarbonylContact C-O 3.35Å; L58-E127 WeakPolarHBondContact CA-O 3.02Å; L58-E127 PolarHBondContact N-O 3.36Å; D59-E127 HydrophobicContact CB-CB 4.27Å; D59-E127 HydrophobicContact CB-CG 4.34Å; D59-E127 PolarHBondContact O-N 3.16Å; Y125-E127 HydrophobicContact CD2-CG 4Å; Y125-E127 HydrophobicContact CE2-CG 4.02Å; E127-Y161 PolarHBondContact OE2-OH 3.16Å; E127-L203 HydrophobicContact CB-CD1 4.2Å; E127-R205 HydrophobicContact CG-CB 4.12Å; E127-R205 HydrophobicContact CG-CG 4.02Å; E127-R205 IonicContact OE1-CZ 3.81Å; E127-R205 IonicContact OE1-NH1 3.58Å; E127-R205 PolarHBondContact OE1-NH1 3.35Å; E127-R357 IonicContact OE2-CZ 3.64Å; E127-R357 IonicContact OE2-NH2 3.4Å; E127-R357 PolarHBondContact OE2-NH2 3.43Å
128	L	97.8	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.4	-172.9	-60	175	0	0	0	109.8	A54 V57 L77 V126 F130 L203 I204 L206 V222	A54-L128 HydrophobicContact CB-CB 4.12Å; A54-L128 HydrophobicContact CB-CD1 4.32Å; A54-L128 HydrophobicContact CB-CD2 4.32Å; A54-L128 HydrophobicContact CB-CG 4.5Å; V57-L128 HydrophobicContact CB-CD2 4.29Å; V57-L128 HydrophobicContact CG1-CD2 4.31Å; V57-L128 HydrophobicContact CG2-CD2 3.74Å; L77-L128 HydrophobicContact CB-CD2 4.03Å; L77-L128 HydrophobicContact CD1-CD2 4.18Å; V126-L128 HydrophobicContact CG2-CD2 3.9Å; V126-L128 HydrophobicContact CG2-CG 4.34Å; L128-F130 HydrophobicContact CB-CE2 4Å; L128-F130 HydrophobicContact CB-CZ 4.38Å; L128-F130 WeakPolarHBondContact O-CE2 3.5Å; L128-L203 WeakPolarHBondContact O-CA 3.32Å; L128-L203 WeakPolarHBondContact O-CD1 3.2Å; L128-I204 PolarHBondContact N-O 3.31Å; L128-I204 PolarHBondContact O-N 2.77Å; L128-L206 HydrophobicContact CD1-CD1 4.26Å; L128-V222 HydrophobicContact CD1-CB 3.7Å; L128-V222 HydrophobicContact CD1-CG1 4.13Å; L128-V222 HydrophobicContact CD1-CG2 3.48Å; L128-V222 VanDerWaalsContact CD1-CG2 3.48Å
129	A	97.1	Very high	94.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.4	173.5	0	0	0	0	0	110.9	A54 K55 E56 L58 N202	A54-A129 CarbonylContact C-O 3.53Å; K55-A129 WeakPolarHBondContact CB-O 3.4Å; K55-A129 PolarHBondContact N-O 2.87Å; E56-A129 HydrophobicContact CG-CB 3.57Å; E56-A129 PolarHBondContact N-O 3.18Å; E56-A129 PolarHBondContact O-N 3Å; L58-A129 HydrophobicContact CD1-CB 3.42Å; L58-A129 VanDerWaalsContact CD1-CB 3.42Å; L58-A129 HydrophobicContact CD2-CB 3.83Å; L58-A129 HydrophobicContact CG-CB 3.7Å; A129-N202 CarbonylContact C-O 3.59Å; A129-N202 WeakPolarHBondContact CA-O 3.45Å
130	F	96.8	Very high	95.5	Very high	3 Å²	3	26 Å²	26	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	159	178.3	-64.7	-93.5	0	0	0	109.7	Q52 Y53 A54 L128 N202 I204 V222 L224	Q52-F130 HydrophobicContact CG-CB 4.37Å; Q52-F130 HydrophobicContact CG-CD1 3.98Å; Y53-F130 WeakPolarHBondContact O-CD1 3.36Å; A54-F130 HydrophobicContact CB-CE1 4.05Å; A54-F130 HydrophobicContact CB-CZ 4.11Å; A54-F130 VanDerWaalsContact N-CE1 3.33Å; L128-F130 HydrophobicContact CB-CE2 4Å; L128-F130 HydrophobicContact CB-CZ 4.38Å; L128-F130 WeakPolarHBondContact O-CE2 3.5Å; F130-N202 HydrophobicContact CB-CB 4.29Å; F130-N202 PolarHBondContact N-O 2.94Å; F130-N202 PolarHBondContact O-ND2 3.38Å; F130-I204 HydrophobicContact CD2-CG1 4.27Å; F130-I204 HydrophobicContact CE2-CB 3.86Å; F130-I204 HydrophobicContact CE2-CG1 3.67Å; F130-I204 HydrophobicContact CZ-CG1 4.41Å; F130-V222 HydrophobicContact CZ-CG1 4.13Å; F130-L224 HydrophobicContact CB-CD2 4.2Å; F130-L224 HydrophobicContact CD1-CB 3.6Å; F130-L224 HydrophobicContact CD1-CD2 4.11Å; F130-L224 HydrophobicContact CD2-CD2 3.91Å; F130-L224 HydrophobicContact CE1-CB 3.41Å; F130-L224 VanDerWaalsContact CE1-CB 3.41Å; F130-L224 HydrophobicContact CE1-CD2 4.49Å; F130-L224 HydrophobicContact CE2-CB 4.39Å; F130-L224 HydrophobicContact CE2-CD2 4.34Å; F130-L224 HydrophobicContact CG-CB 4.16Å; F130-L224 HydrophobicContact CG-CD2 3.79Å; F130-L224 HydrophobicContact CZ-CB 3.85Å
131	E	94.8	Very high	95.8	Very high	116 Å²	116	24.9 Å²	24.9	54%	0.542	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-51.1	-173.6	-168.7	68	-142.8	0	0	111.5	K55	K55-E131 WeakPolarHBondContact CD-OE2 3.09Å; K55-E131 WeakPolarHBondContact CE-OE2 3.39Å; K55-E131 IonicContact NZ-OE1 2.88Å; K55-E131 PolarHBondContact NZ-OE1 3.46Å; K55-E131 IonicContact NZ-OE2 3.35Å; K55-E131 PolarHBondContact NZ-OE2 3.13Å
132	E	93.7	Very high	96.1	Very high	75 Å²	75	24.1 Å²	24.1	35%	0.35	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.6	-175.2	-61.6	-161.9	159.4	0	0	111.9	Q52 K228	Q52-E132 PolarHBondContact NE2-O 3.04Å; E132-K228 IonicContact OE1-NZ 2.87Å; E132-K228 PolarHBondContact OE1-NZ 3.45Å; E132-K228 WeakPolarHBondContact OE2-CE 3.36Å; E132-K228 IonicContact OE2-NZ 3.8Å; E132-K228 PolarHBondContact OE2-NZ 3.41Å
133	P	94.7	Very high	96.1	Very high	70 Å²	70	23.7 Å²	23.7	46%	0.455	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.2	171.2	30.9	-33.9	0	0	0	110.8	P200 T201 N202	P133-P200 HydrophobicContact CB-CB 4.16Å; P133-T201 WeakPolarHBondContact CA-O 3.35Å; P133-N202 HydrophobicContact CB-CB 4.2Å
134	V	95.4	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.8	-177.5	-60.8	0	0	0	0	111.4	I50 P136 P200 T201 L224	I50-V134 HydrophobicContact CB-CG1 4.02Å; I50-V134 HydrophobicContact CD1-CG1 3.79Å; I50-V134 HydrophobicContact CG2-CG1 4.04Å; V134-P136 VanDerWaalsContact O-CD 3.24Å; V134-P136 WeakPolarHBondContact O-CD 2.93Å; V134-P200 CarbonylContact O-C 3.57Å; V134-P200 VanDerWaalsContact O-CA 3.3Å; V134-P200 WeakPolarHBondContact O-CA 3.01Å; V134-T201 PolarHBondContact N-O 3.46Å; V134-T201 PolarHBondContact O-N 2.93Å; V134-L224 HydrophobicContact CG2-CD1 4.43Å; V134-L224 HydrophobicContact CG2-CD2 3.65Å; V134-L224 HydrophobicContact CG2-CG 3.85Å
135	Y	95.8	Very high	95.8	Very high	37 Å²	37	20.8 Å²	20.8	15%	0.145	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.5	163.2	-67.8	-91.3	0	0	0	108.4	T137 P200 G226 V227 K228 R230	Y135-T137 PolarHBondContact O-N 2.73Å; Y135-P200 HydrophobicContact CD2-CB 4.25Å; Y135-P200 HydrophobicContact CE2-CB 4.07Å; Y135-P200 HydrophobicContact CE2-CG 4.45Å; Y135-G226 CarbonylContact O-C 3.51Å; Y135-G226 WeakPolarHBondContact O-CA 3.43Å; Y135-V227 WeakPolarHBondContact CD2-O 3.32Å; Y135-V227 PolarHBondContact N-O 3.1Å; Y135-V227 PolarHBondContact O-N 2.87Å; Y135-K228 WeakPolarHBondContact CE2-O 3.45Å; Y135-R230 HydrophobicContact CD1-CB 4.38Å; Y135-R230 HydrophobicContact CD1-CG 4.36Å; Y135-R230 HydrophobicContact CE1-CB 3.92Å; Y135-R230 HydrophobicContact CE1-CG 4.03Å; Y135-R230 HydrophobicContact CE2-CB 4.11Å
136	P	96.5	Very high	95.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125.4	-173	-24.2	36.8	0	0	0	112.2	V134 L174 I194 Q196 I197 T201 L224 H225	V134-P136 VanDerWaalsContact O-CD 3.24Å; V134-P136 WeakPolarHBondContact O-CD 2.93Å; P136-L174 HydrophobicContact CB-CD1 4.37Å; P136-L174 HydrophobicContact CG-CD1 4.39Å; P136-I194 HydrophobicContact CB-CD1 3.66Å; P136-Q196 PolarHBondContact O-NE2 2.91Å; P136-I197 HydrophobicContact CG-CD1 4.01Å; P136-I197 HydrophobicContact CG-CG1 4.43Å; P136-T201 HydrophobicContact CG-CG2 3.39Å; P136-L224 HydrophobicContact CB-CD1 3.95Å; P136-L224 HydrophobicContact CG-CD1 4.2Å; P136-H225 CarbonylContact C-O 3.54Å; P136-H225 WeakPolarHBondContact CA-O 3.31Å
137	T	95.7	Very high	95.2	Very high	54 Å²	54	22.9 Å²	22.9	33%	0.331	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-34.3	171.1	51.9	0	0	0	0	111.3	Y135 H225 G226 V227	Y135-T137 PolarHBondContact O-N 2.73Å; T137-H225 PolarHBondContact N-O 3.13Å; T137-H225 VanDerWaalsContact OG1-C 3.25Å; T137-H225 WeakPolarHBondContact OG1-CB 3.43Å; T137-H225 PolarHBondContact OG1-O 3.17Å; T137-G226 WeakPolarHBondContact OG1-CA 3.36Å; T137-G226 PolarHBondContact OG1-N 2.63Å; T137-V227 HydrophobicContact CG2-CG1 4.34Å; T137-V227 HydrophobicContact CG2-CG2 4.43Å
138	A	97.1	Very high	94.9	Very high	17 Å²	17	23 Å²	23	14%	0.14	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.7	172.7	0	0	0	0	0	111.7	T191 H225	A138-T191 HydrophobicContact CB-CG2 4.46Å; A138-H225 HydrophobicContact CB-CB 4.02Å; A138-H225 PolarHBondContact N-O 3.49Å; A138-H225 PolarHBondContact O-N 3.23Å
139	V	98.1	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.7	168.6	-179.7	0	0	0	0	107.3	I141 I153 I194 V222 V223 L224	V139-I141 HydrophobicContact CG1-CG1 4.21Å; V139-I153 HydrophobicContact CB-CD1 4.34Å; V139-I153 HydrophobicContact CG1-CD1 4.29Å; V139-I153 HydrophobicContact CG2-CG2 4.37Å; V139-I194 HydrophobicContact CG2-CD1 4.35Å; V139-V222 HydrophobicContact CG1-CG1 3.9Å; V139-V223 WeakPolarHBondContact CA-O 3.01Å; V139-L224 HydrophobicContact CG2-CD1 3.93Å
140	H	98	Very high	94.5	Very high	31 Å²	31	23.3 Å²	23.3	14%	0.144	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.4	176.3	-56.3	169.6	0	0	0	109	Q189 F190 T191 V222 V223 H225	H140-Q189 HydrophobicContact CB-CG 4.09Å; H140-Q189 PolarHBondContact ND1-NE2 2.98Å; H140-F190 WeakPolarHBondContact CA-O 3.46Å; H140-T191 WeakPolarHBondContact CD2-CG2 3.3Å; H140-T191 PolarHBondContact CD2-OG1 3.35Å; H140-V222 CarbonylContact O-C 3.55Å; H140-V222 WeakPolarHBondContact O-CA 3.45Å; H140-V223 HydrophobicContact CB-CB 4.07Å; H140-V223 HydrophobicContact CB-CG2 4.34Å; H140-V223 PolarHBondContact N-O 3.27Å; H140-V223 PolarHBondContact O-N 2.62Å; H140-H225 AromaticContact CE1-CD2 3.68Å; H140-H225 AromaticContact CE1-CE1 3.7Å; H140-H225 AromaticContact CE1-NE2 3.2Å; H140-H225 PolarHBondContact CE1-NE2 3.26Å; H140-H225 AromaticContact ND1-CD2 3.82Å; H140-H225 AromaticContact ND1-NE2 3.32Å; H140-H225 PolarHBondContact ND1-NE2 2.82Å; H140-H225 AromaticContact NE2-NE2 4Å
141	I	97.5	Very high	94.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	176.6	-57	169.5	0	0	0	107.1	V139 E143 V150 I153 F190 L206 L219 V222	V139-I141 HydrophobicContact CG1-CG1 4.21Å; I141-E143 HydrophobicContact CG2-CG 4.22Å; I141-E143 PolarHBondContact O-N 3.44Å; I141-V150 HydrophobicContact CD1-CB 4.39Å; I141-V150 HydrophobicContact CD1-CG1 3.82Å; I141-V150 HydrophobicContact CD1-CG2 4.01Å; I141-V150 HydrophobicContact CG2-CG2 4.26Å; I141-I153 HydrophobicContact CD1-CD1 3.87Å; I141-I153 HydrophobicContact CD1-CG1 4.33Å; I141-F190 HydrophobicContact CB-CB 4.35Å; I141-F190 HydrophobicContact CD1-CD1 4.1Å; I141-F190 PolarHBondContact N-O 3.13Å; I141-F190 PolarHBondContact O-N 2.95Å; I141-L206 HydrophobicContact CD1-CD1 3.88Å; I141-L206 HydrophobicContact CD1-CD2 3.69Å; I141-L206 HydrophobicContact CD1-CG 4.44Å; I141-L206 HydrophobicContact CG1-CD1 4.18Å; I141-L206 HydrophobicContact CG1-CD2 4.49Å; I141-L219 HydrophobicContact CG2-CD2 3.99Å; I141-V222 HydrophobicContact CG1-CG1 4.32Å; I141-V222 HydrophobicContact CG1-CG2 4.41Å; I141-V222 HydrophobicContact CG2-CG2 4.45Å
142	L	96.7	Very high	94.6	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.037	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	99.1	-176.3	-52.2	-173.5	0	0	0	108.8	P81 Y84 Q189 D220 A221	P81-L142 HydrophobicContact CB-CD1 3.86Å; P81-L142 HydrophobicContact CG-CD1 3.86Å; Y84-L142 HydrophobicContact CD1-CD1 3.86Å; Y84-L142 HydrophobicContact CD1-CD2 4.19Å; Y84-L142 HydrophobicContact CD1-CG 4.43Å; Y84-L142 HydrophobicContact CD2-CB 3.9Å; Y84-L142 HydrophobicContact CD2-CD2 4.42Å; Y84-L142 HydrophobicContact CE1-CD2 4.09Å; Y84-L142 HydrophobicContact CE2-CD2 4.34Å; Y84-L142 HydrophobicContact CG-CB 3.94Å; Y84-L142 HydrophobicContact CG-CD1 3.96Å; Y84-L142 HydrophobicContact CG-CD2 4.36Å; Y84-L142 HydrophobicContact CG-CG 4.31Å; L142-Q189 HydrophobicContact CD2-CB 3.9Å; L142-Q189 HydrophobicContact CD2-CG 3.75Å; L142-D220 PolarHBondContact O-N 3.01Å; L142-A221 HydrophobicContact CD1-CB 4.15Å; L142-A221 PolarHBondContact N-O 3.4Å
143	E	94.4	Very high	94.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.4	179.2	-52.1	-178.3	105.8	0	0	108.9	I141 P147 G148 A187 R188 E218 L219	I141-E143 HydrophobicContact CG2-CG 4.22Å; I141-E143 PolarHBondContact O-N 3.44Å; E143-P147 HydrophobicContact CB-CB 3.72Å; E143-P147 VanDerWaalsContact CD-CB 3.47Å; E143-P147 HydrophobicContact CG-CB 4.21Å; E143-P147 WeakPolarHBondContact OE1-CA 3.46Å; E143-P147 WeakPolarHBondContact OE2-CB 3.43Å; E143-G148 PolarHBondContact OE1-N 2.91Å; E143-A187 CarbonylContact O-C 3.56Å; E143-A187 WeakPolarHBondContact O-CA 3.47Å; E143-R188 HydrophobicContact CB-CB 4.43Å; E143-R188 PolarHBondContact N-O 3.42Å; E143-R188 PolarHBondContact O-N 3.39Å; E143-R188 WeakPolarHBondContact OE2-CD 3.48Å; E143-R188 IonicContact OE2-CZ 2.67Å; E143-R188 IonicContact OE2-NE 3.13Å; E143-R188 IonicContact OE2-NH1 2.73Å; E143-R188 PolarHBondContact OE2-NH1 3.02Å; E143-E218 WeakPolarHBondContact CA-O 3.4Å; E143-L219 HydrophobicContact CB-CD2 4.39Å; E143-L219 HydrophobicContact CG-CD2 3.81Å
144	T	92.4	Very high	94.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-24.4	-175.8	50.1	0	0	0	0	113.3	V83 S87 G88 T93 E218 D220	V83-T144 HydrophobicContact CB-CG2 4.32Å; V83-T144 HydrophobicContact CG1-CG2 4.04Å; S87-T144 VanDerWaalsContact CA-O 3.28Å; S87-T144 WeakPolarHBondContact CA-O 3.39Å; S87-T144 PolarHBondContact OG-O 3.13Å; G88-T144 PolarHBondContact N-O 3.28Å; G88-T144 VanDerWaalsContact N-O 3.16Å; T93-T144 WeakPolarHBondContact CG2-OG1 3.17Å; T144-E218 PolarHBondContact N-O 3.16Å; T144-E218 WeakPolarHBondContact OG1-CB 3.35Å; T144-D220 HydrophobicContact CG2-CB 3.7Å
145	Y	90	Very high	94.9	Very high	24 Å²	24	11.8 Å²	11.8	9%	0.094	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.7	-178.6	-156.8	-138.9	0	0	0	111.2	G88 D89 Y215 T217 E218 S617	G88-Y145 WeakPolarHBondContact O-CB 3.23Å; D89-Y145 HydrophobicContact CB-CD1 4.04Å; D89-Y145 HydrophobicContact CB-CE1 3.72Å; Y145-Y215 HydrophobicContact CD1-CD1 4.37Å; Y145-Y215 AromaticContact CE1-CD1 3.59Å; Y145-Y215 HydrophobicContact CE1-CD1 3.59Å; Y145-Y215 HydrophobicContact CE1-CE1 4.07Å; Y145-T217 WeakPolarHBondContact O-CA 3.28Å; Y145-E218 HydrophobicContact CD1-CG 4.14Å; Y145-E218 HydrophobicContact CG-CG 4.37Å; Y145-E218 PolarHBondContact O-N 3Å; Y145-S617 WeakPolarHBondContact OH-CB 3.46Å; Y145-S617 PolarHBondContact OH-OG 3.37Å
146	H	89.3	Confident	94.9	Very high	42 Å²	42	10 Å²	10	19%	0.194	5%	0.054	C	C	.	.	S	Bend	trans	40.9	67	-176.6	-62.6	84.6	0	0	0	113.1	L213 Y215 Y216 T217	H146-L213 WeakPolarHBondContact O-CD1 3.31Å; H146-Y215 VanDerWaalsContact CE1-CB 3.43Å; H146-Y215 WeakPolarHBondContact CE1-CB 3.44Å; H146-Y216 WeakPolarHBondContact CB-O 3.32Å; H146-T217 PolarHBondContact O-OG1 2.67Å
147	P	90.6	Very high	94.6	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.013	7%	0.065	C	C	.	.			trans	-65	161.5	179.8	27.7	-35.5	0	0	0	112.6	E143 V182 R188	E143-P147 HydrophobicContact CB-CB 3.72Å; E143-P147 VanDerWaalsContact CD-CB 3.47Å; E143-P147 HydrophobicContact CG-CB 4.21Å; E143-P147 WeakPolarHBondContact OE1-CA 3.46Å; E143-P147 WeakPolarHBondContact OE2-CB 3.43Å; P147-V182 HydrophobicContact CG-CB 4.06Å; P147-V182 HydrophobicContact CG-CG1 3.84Å; P147-R188 HydrophobicContact CB-CB 4.02Å; P147-R188 HydrophobicContact CG-CB 4.31Å
148	G	89.6	Confident	94.1	Very high	3 Å²	3	10.6 Å²	10.6	3%	0.031	6%	0.062	C	C	.	.			trans	108.2	9.6	173.4	0	0	0	0	0	115.3	E143	E143-G148 PolarHBondContact OE1-N 2.91Å
149	A	92.6	Very high	93.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.			trans	-75.7	-28	177.3	0	0	0	0	0	113.2	V151 V208 N209 L213 T217	A149-V151 PolarHBondContact O-N 3.41Å; A149-V208 HydrophobicContact CB-CB 4.13Å; A149-V208 HydrophobicContact CB-CG1 4.45Å; A149-V208 CarbonylContact O-C 3.53Å; A149-V208 WeakPolarHBondContact O-CA 3.5Å; A149-N209 PolarHBondContact O-N 3.26Å; A149-L213 HydrophobicContact CB-CD1 3.74Å; A149-T217 HydrophobicContact CB-CG2 3.58Å
150	V	95.2	Very high	92.6	Very high	7 Å²	7	11.2 Å²	11.2	4%	0.042	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.2	-174.8	-176.4	0	0	0	0	109.9	I141 I153 W175 F190 V208	I141-V150 HydrophobicContact CD1-CB 4.39Å; I141-V150 HydrophobicContact CD1-CG1 3.82Å; I141-V150 HydrophobicContact CD1-CG2 4.01Å; I141-V150 HydrophobicContact CG2-CG2 4.26Å; V150-I153 HydrophobicContact CG1-CG1 4.27Å; V150-W175 HydrophobicContact CG1-CZ3 4.22Å; V150-W175 WeakPolarHBondContact O-CH2 3.47Å; V150-W175 WeakPolarHBondContact O-CZ3 3.42Å; V150-F190 HydrophobicContact CB-CD1 4.25Å; V150-F190 HydrophobicContact CB-CE1 4.11Å; V150-F190 HydrophobicContact CG1-CD1 4.5Å; V150-F190 HydrophobicContact CG1-CE1 4.13Å; V150-V208 HydrophobicContact CG2-CG1 4.32Å
151	V	96.1	Very high	91.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-21.3	-179.6	-69.6	0	0	0	0	113	C121 A149 W175 S176 E177 P179 E207 N209	C121-V151 VanDerWaalsContact SG-CB 3.6Å; A149-V151 PolarHBondContact O-N 3.41Å; V151-W175 VanDerWaalsContact C-CZ3 3.43Å; V151-W175 WeakPolarHBondContact O-CZ3 3.41Å; V151-S176 VanDerWaalsContact O-CA 3.28Å; V151-S176 WeakPolarHBondContact O-CA 3.49Å; V151-E177 PolarHBondContact O-N 3.2Å; V151-P179 HydrophobicContact CG1-CB 3.95Å; V151-E207 WeakPolarHBondContact CG2-O 3.34Å; V151-E207 PolarHBondContact N-O 2.91Å; V151-N209 HydrophobicContact CG1-CB 3.78Å; V151-N209 HydrophobicContact CG2-CB 4.12Å
152	R	96.7	Very high	90.7	Very high	14 Å²	14	16.3 Å²	16.3	5%	0.053	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.5	174.1	-55.2	-168.6	-175	157.4	-17.8	114.1	T119 L154 W175 S176 E207	T119-R152 PolarHBondContact O-NH2 3Å; R152-L154 HydrophobicContact CB-CD1 4.04Å; R152-W175 WeakPolarHBondContact CA-O 3.41Å; R152-S176 WeakPolarHBondContact CG-OG 3.28Å; R152-S176 PolarHBondContact NE-OG 3.37Å; R152-E207 HydrophobicContact CB-CB 4.07Å; R152-E207 HydrophobicContact CB-CG 4.37Å; R152-E207 WeakPolarHBondContact CD-OE2 3.2Å; R152-E207 IonicContact CZ-OE2 3.81Å; R152-E207 PolarHBondContact N-O 3.04Å; R152-E207 IonicContact NE-OE2 2.63Å; R152-E207 IonicContact NH1-OE2 3.13Å; R152-E207 PolarHBondContact NH1-OE2 3.26Å; R152-E207 PolarHBondContact O-N 2.92Å
153	I	97.8	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.7	170.3	-54.1	179.6	0	0	0	107.6	V139 I141 V150 L174 W175 P192 I204 R205 L206	V139-I153 HydrophobicContact CB-CD1 4.34Å; V139-I153 HydrophobicContact CG1-CD1 4.29Å; V139-I153 HydrophobicContact CG2-CG2 4.37Å; I141-I153 HydrophobicContact CD1-CD1 3.87Å; I141-I153 HydrophobicContact CD1-CG1 4.33Å; V150-I153 HydrophobicContact CG1-CG1 4.27Å; I153-L174 HydrophobicContact CB-CB 4.41Å; I153-L174 HydrophobicContact CG2-CB 4.25Å; I153-L174 HydrophobicContact CG2-CD1 4.13Å; I153-L174 WeakPolarHBondContact O-CB 3.35Å; I153-L174 PolarHBondContact O-N 2.63Å; I153-W175 HydrophobicContact CB-CB 4.45Å; I153-W175 HydrophobicContact CD1-CE3 4.42Å; I153-W175 HydrophobicContact CG1-CE3 4.11Å; I153-W175 PolarHBondContact N-O 2.9Å; I153-W175 PolarHBondContact O-N 3.44Å; I153-P192 HydrophobicContact CD1-CG 3.57Å; I153-I204 HydrophobicContact CG2-CG2 3.73Å; I153-R205 WeakPolarHBondContact CA-O 3.36Å; I153-L206 HydrophobicContact CB-CD2 4.34Å; I153-L206 HydrophobicContact CD1-CD2 4.44Å; I153-L206 HydrophobicContact CG1-CD2 3.82Å; I153-L206 HydrophobicContact CG2-CD2 4.09Å
154	L	96.8	Very high	88.7	Confident	8 Å²	8	32 Å²	32	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145	177	-55.3	92.3	0	0	0	110.9	R152 W171 E172 I173 I204 R205 E207 W328	R152-L154 HydrophobicContact CB-CD1 4.04Å; L154-W171 HydrophobicContact CB-CE3 3.81Å; L154-W171 HydrophobicContact CB-CZ3 4.28Å; L154-W171 HydrophobicContact CD2-CB 4.47Å; L154-E172 CarbonylContact C-O 3.47Å; L154-E172 VanDerWaalsContact CA-O 3.23Å; L154-E172 WeakPolarHBondContact CA-O 3.42Å; L154-I173 HydrophobicContact CD2-CG1 3.8Å; L154-I173 HydrophobicContact CG-CG1 4.13Å; L154-I204 CarbonylContact O-C 3.38Å; L154-I204 VanDerWaalsContact O-CA 3.29Å; L154-I204 WeakPolarHBondContact O-CA 3.08Å; L154-R205 HydrophobicContact CB-CB 4.35Å; L154-R205 HydrophobicContact CD1-CB 4.45Å; L154-R205 HydrophobicContact CD1-CG 4.37Å; L154-R205 PolarHBondContact N-O 3.04Å; L154-R205 PolarHBondContact O-N 3.23Å; L154-E207 HydrophobicContact CD1-CG 3.85Å; L154-W328 HydrophobicContact CD2-CZ2 4.25Å
155	A	96.8	Very high	87.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.5	172.4	0	0	0	0	0	110.8	W171 E172 L174 I197 F199 T201 I204	A155-W171 WeakPolarHBondContact O-CA 3.48Å; A155-E172 PolarHBondContact N-O 3.27Å; A155-E172 PolarHBondContact O-N 3.29Å; A155-L174 HydrophobicContact CB-CD1 3.86Å; A155-L174 HydrophobicContact CB-CD2 3.86Å; A155-L174 HydrophobicContact CB-CG 3.81Å; A155-I197 HydrophobicContact CB-CD1 3.83Å; A155-F199 HydrophobicContact CB-CE2 4.42Å; A155-T201 HydrophobicContact CB-CG2 3.86Å; A155-I204 HydrophobicContact CB-CD1 4Å
156	C	94.2	Very high	87	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134	178.3	-171.1	0	0	0	0	110.7	A158 V169 W171 T201 L203	C156-A158 VanDerWaalsContact C-N 3.26Å; C156-A158 PolarHBondContact O-N 2.94Å; C156-A158 PolarHBondContact SG-O 2.93Å; C156-V169 WeakPolarHBondContact SG-CG1 2.88Å; C156-W171 HydrophobicContact CB-CD2 3.96Å; C156-W171 HydrophobicContact CB-CE3 3.74Å; C156-W171 HydrophobicContact CB-CH2 3.68Å; C156-W171 HydrophobicContact CB-CZ2 3.85Å; C156-W171 HydrophobicContact CB-CZ3 3.6Å; C156-T201 PolarHBondContact N-OG1 3.35Å; C156-T201 VanDerWaalsContact O-CB 3.28Å; C156-T201 WeakPolarHBondContact O-CB 3.47Å; C156-T201 PolarHBondContact O-OG1 2.93Å; C156-L203 HydrophobicContact CB-CB 3.86Å; C156-L203 HydrophobicContact CB-CD2 3.71Å; C156-L203 HydrophobicContact CB-CG 3.73Å; C156-L203 PolarHBondContact N-O 2.92Å
157	S	90.8	Very high	86.1	Confident	35 Å²	35	40.3 Å²	40.3	25%	0.245	24%	0.238	C	C	.	.	S	Bend	trans	-65.9	-25.8	-175.6	63.9	0	0	0	0	114.7	R170 F199	S157-R170 PolarHBondContact N-O 3.27Å; S157-R170 PolarHBondContact OG-N 3.13Å; S157-R170 PolarHBondContact OG-O 3.34Å; S157-F199 VanDerWaalsContact CA-CD2 3.47Å
158	A	85.6	Confident	85.3	Confident	32 Å²	32	48.4 Å²	48.4	26%	0.264	28%	0.275	S	S	.	.	S	Bend	trans	-158.4	134.5	176.6	0	0	0	0	0	108.4	C156 P160 P166	C156-A158 VanDerWaalsContact C-N 3.26Å; C156-A158 PolarHBondContact O-N 2.94Å; C156-A158 PolarHBondContact SG-O 2.93Å; A158-P160 WeakPolarHBondContact O-CD 3.29Å; A158-P160 VanDerWaalsContact O-N 3.15Å; A158-P166 HydrophobicContact CB-CB 3.98Å; A158-P166 HydrophobicContact CB-CG 3.68Å
159	N	83.4	Confident	85.1	Confident	18 Å²	18	50.7 Å²	50.7	10%	0.096	29%	0.289	C	S	.	.			trans	-64.6	112.2	-179.8	-176.8	-5.8	0	0	0	110.6	Y161 S162 N202 L203	N159-Y161 VanDerWaalsContact C-N 3.25Å; N159-Y161 PolarHBondContact O-N 3.08Å; N159-Y161 WeakPolarHBondContact OD1-CB 3.05Å; N159-Y161 PolarHBondContact OD1-N 2.72Å; N159-S162 WeakPolarHBondContact O-CB 3.22Å; N159-S162 PolarHBondContact O-N 3.13Å; N159-S162 PolarHBondContact O-OG 3.03Å; N159-N202 WeakPolarHBondContact CB-OD1 3.27Å; N159-L203 HydrophobicContact CB-CB 4.39Å
160	P	80.9	Confident	84.9	Confident	13 Å²	13	57 Å²	57	8%	0.084	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	10.4	-177.2	17.3	-3.1	0	0	0	114.3	A158 P166 V169 L203 R357	A158-P160 WeakPolarHBondContact O-CD 3.29Å; A158-P160 VanDerWaalsContact O-N 3.15Å; P160-P166 HydrophobicContact CB-CG 4.31Å; P160-V169 HydrophobicContact CB-CG2 3.71Å; P160-V169 HydrophobicContact CG-CB 4.44Å; P160-V169 HydrophobicContact CG-CG1 4.01Å; P160-V169 HydrophobicContact CG-CG2 3.65Å; P160-L203 HydrophobicContact CG-CD2 4.47Å; P160-R357 VanDerWaalsContact CA-NH1 3.32Å; P160-R357 HydrophobicContact CB-CB 4.49Å; P160-R357 VanDerWaalsContact CD-CZ 3.46Å; P160-R357 VanDerWaalsContact CG-CD 3.4Å; P160-R357 PolarHBondContact O-NH1 3.48Å
161	Y	78.9	Confident	84.7	Confident	85 Å²	85	58.4 Å²	58.4	33%	0.333	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.3	167.3	-59.6	-64.1	0	0	0	111.6	L58 D59 E127 N159 R357	L58-Y161 HydrophobicContact CB-CD2 3.59Å; L58-Y161 HydrophobicContact CB-CE2 3.61Å; L58-Y161 HydrophobicContact CB-CG 4.3Å; L58-Y161 HydrophobicContact CD1-CD2 3.31Å; L58-Y161 HydrophobicContact CD1-CE2 3.61Å; L58-Y161 HydrophobicContact CD1-CG 4.46Å; L58-Y161 HydrophobicContact CD2-CD2 3.58Å; L58-Y161 HydrophobicContact CD2-CE2 4.43Å; L58-Y161 HydrophobicContact CD2-CG 3.99Å; L58-Y161 HydrophobicContact CG-CD2 3.64Å; L58-Y161 HydrophobicContact CG-CE2 4.04Å; L58-Y161 HydrophobicContact CG-CG 4.47Å; D59-Y161 WeakPolarHBondContact CB-OH 3.43Å; E127-Y161 PolarHBondContact OE2-OH 3.16Å; N159-Y161 VanDerWaalsContact C-N 3.25Å; N159-Y161 PolarHBondContact O-N 3.08Å; N159-Y161 WeakPolarHBondContact OD1-CB 3.05Å; N159-Y161 PolarHBondContact OD1-N 2.72Å; Y161-R357 VanDerWaalsContact CD1-NH1 3.26Å; Y161-R357 VanDerWaalsContact CZ-NH1 3.27Å; Y161-R357 PolarHBondContact OH-NH2 3.44Å
162	S	76.9	Confident	84.7	Confident	52 Å²	52	59.6 Å²	59.6	36%	0.364	32%	0.323	S	S	.	.	S	Bend	trans	-64.4	161.5	176.2	73.8	0	0	0	0	110.8	N159 N164	N159-S162 WeakPolarHBondContact O-CB 3.22Å; N159-S162 PolarHBondContact O-N 3.13Å; N159-S162 PolarHBondContact O-OG 3.03Å; S162-N164 PolarHBondContact O-N 2.57Å; S162-N164 VanDerWaalsContact O-N 3.13Å; S162-N164 PolarHBondContact OG-O 3.05Å
163	Q	73.4	Confident	84.6	Confident	196 Å²	196	62.7 Å²	62.7	92%	0.916	34%	0.34	S	S	*	.	S	Bend	trans	-57.4	-28.8	178.7	-68	179.6	-1.2	0	0	112.8
164	N	74.1	Confident	84.6	Confident	140 Å²	140	63 Å²	63	75%	0.749	34%	0.341	S	S	*	.	S	Bend	trans	-120.7	85.5	175.8	-68.5	-32.9	0	0	0	108.8	S162	S162-N164 PolarHBondContact O-N 2.57Å; S162-N164 VanDerWaalsContact O-N 3.13Å; S162-N164 PolarHBondContact OG-O 3.05Å
165	P	71.6	Confident	84.6	Confident	88 Å²	88	63.8 Å²	63.8	57%	0.571	34%	0.343	S	S	*	.			trans	-62.7	137.2	-176.2	24.9	-33	0	0	0	110.4
166	P	76	Confident	84.5	Confident	44 Å²	44	66 Å²	66	29%	0.286	36%	0.359	S	S	.	.			trans	-66.8	148.2	177.6	32.5	-36.9	0	0	0	110.3	A158 P160 E168 V169	A158-P166 HydrophobicContact CB-CB 3.98Å; A158-P166 HydrophobicContact CB-CG 3.68Å; P160-P166 HydrophobicContact CB-CG 4.31Å; P166-E168 VanDerWaalsContact C-N 3.3Å; P166-E168 PolarHBondContact O-N 3.12Å; P166-V169 HydrophobicContact CG-CG2 3.63Å
167	A	70.6	Confident	84.5	Confident	110 Å²	110	71 Å²	71	91%	0.909	38%	0.382	S	S	*	.	S	Bend	trans	-66.4	-33.2	177.6	0	0	0	0	0	112.5
168	E	74.1	Confident	84.3	Confident	171 Å²	171	72.6 Å²	72.6	80%	0.799	40%	0.398	S	S	*	.			trans	-130.8	141.4	177	-70.1	-172.8	176.8	0	0	110.9	P166	P166-E168 VanDerWaalsContact C-N 3.3Å; P166-E168 PolarHBondContact O-N 3.12Å
169	V	84.8	Confident	84.3	Confident	51 Å²	51	72.5 Å²	72.5	31%	0.309	40%	0.395	S	S	.	.			trans	-129.5	133	179.9	179.9	0	0	0	0	108.1	C156 P160 P166	C156-V169 WeakPolarHBondContact SG-CG1 2.88Å; P160-V169 HydrophobicContact CB-CG2 3.71Å; P160-V169 HydrophobicContact CG-CB 4.44Å; P160-V169 HydrophobicContact CG-CG1 4.01Å; P160-V169 HydrophobicContact CG-CG2 3.65Å; P166-V169 HydrophobicContact CG-CG2 3.63Å
170	R	87.7	Confident	84.1	Confident	133 Å²	133	75 Å²	75	50%	0.502	41%	0.41	S	S	.	.			trans	-115.1	130.9	173.5	179.3	-179.5	177	167.2	1.6	109.6	S157 E172	S157-R170 PolarHBondContact N-O 3.27Å; S157-R170 PolarHBondContact OG-N 3.13Å; S157-R170 PolarHBondContact OG-O 3.34Å; R170-E172 IonicContact CZ-OE1 2.86Å; R170-E172 IonicContact NE-OE1 3.9Å; R170-E172 PolarHBondContact NE-OE1 3.09Å; R170-E172 IonicContact NH2-OE1 3.12Å; R170-E172 PolarHBondContact NH2-OE1 3.26Å
171	W	92.8	Very high	84	Confident	36 Å²	36	79.6 Å²	79.6	14%	0.136	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.5	166.8	-67.9	90.6	0	0	0	110.1	L154 A155 C156 L203 R205 W328 A329	L154-W171 HydrophobicContact CB-CE3 3.81Å; L154-W171 HydrophobicContact CB-CZ3 4.28Å; L154-W171 HydrophobicContact CD2-CB 4.47Å; A155-W171 WeakPolarHBondContact O-CA 3.48Å; C156-W171 HydrophobicContact CB-CD2 3.96Å; C156-W171 HydrophobicContact CB-CE3 3.74Å; C156-W171 HydrophobicContact CB-CH2 3.68Å; C156-W171 HydrophobicContact CB-CZ2 3.85Å; C156-W171 HydrophobicContact CB-CZ3 3.6Å; W171-L203 HydrophobicContact CH2-CD2 3.97Å; W171-L203 HydrophobicContact CH2-CG 3.91Å; W171-L203 HydrophobicContact CZ2-CD2 4.16Å; W171-R205 HydrophobicContact CE3-CB 4.32Å; W171-R205 HydrophobicContact CH2-CB 3.81Å; W171-R205 HydrophobicContact CZ3-CB 3.44Å; W171-R205 VanDerWaalsContact CZ3-CB 3.44Å; W171-W328 AromaticContact CD1-CH2 3.82Å; W171-W328 AromaticContact CD1-CZ3 3.89Å; W171-W328 AromaticContact CD2-CH2 3.69Å; W171-W328 HydrophobicContact CD2-CH2 3.69Å; W171-W328 HydrophobicContact CD2-CZ3 4.43Å; W171-W328 AromaticContact CE2-CH2 3.6Å; W171-W328 HydrophobicContact CE3-CH2 4.3Å; W171-W328 AromaticContact CG-CH2 3.82Å; W171-W328 HydrophobicContact CG-CH2 3.82Å; W171-W328 HydrophobicContact CG-CZ3 4.35Å; W171-W328 HydrophobicContact CZ2-CH2 4.1Å; W171-W328 AromaticContact NE1-CH2 3.68Å; W171-W328 AromaticContact NE1-CZ3 3.67Å; W171-A329 HydrophobicContact CB-CB 3.8Å; W171-A329 HydrophobicContact CG-CB 4.02Å
172	E	94.7	Very high	84	Confident	26 Å²	26	77.8 Å²	77.8	12%	0.121	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.4	170.6	-79.6	-81.5	134.2	0	0	109.2	L154 A155 R170 L174 K195 I197 F199	L154-E172 CarbonylContact C-O 3.47Å; L154-E172 VanDerWaalsContact CA-O 3.23Å; L154-E172 WeakPolarHBondContact CA-O 3.42Å; A155-E172 PolarHBondContact N-O 3.27Å; A155-E172 PolarHBondContact O-N 3.29Å; R170-E172 IonicContact CZ-OE1 2.86Å; R170-E172 IonicContact NE-OE1 3.9Å; R170-E172 PolarHBondContact NE-OE1 3.09Å; R170-E172 IonicContact NH2-OE1 3.12Å; R170-E172 PolarHBondContact NH2-OE1 3.26Å; E172-L174 PolarHBondContact O-N 3.06Å; E172-K195 IonicContact OE2-NZ 3.85Å; E172-K195 PolarHBondContact OE2-NZ 3.3Å; E172-I197 HydrophobicContact CB-CG2 3.93Å; E172-I197 HydrophobicContact CG-CG2 4.17Å; E172-F199 HydrophobicContact CB-CE1 4.36Å; E172-F199 HydrophobicContact CB-CZ 3.95Å; E172-F199 HydrophobicContact CG-CE1 3.53Å; E172-F199 HydrophobicContact CG-CZ 3.62Å
173	I	95.6	Very high	83.6	Confident	79 Å²	79	82.3 Å²	82.3	41%	0.405	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.3	169.2	-60.8	172.4	0	0	0	107.7	L154 W175	L154-I173 HydrophobicContact CD2-CG1 3.8Å; L154-I173 HydrophobicContact CG-CG1 4.13Å; I173-W175 WeakPolarHBondContact CG2-O 3.13Å
174	L	97.2	Very high	83.2	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-39.3	173.2	-64	-170.4	0	0	0	111.2	P136 I153 A155 E172 I194 K195 I197 I204	P136-L174 HydrophobicContact CB-CD1 4.37Å; P136-L174 HydrophobicContact CG-CD1 4.39Å; I153-L174 HydrophobicContact CB-CB 4.41Å; I153-L174 HydrophobicContact CG2-CB 4.25Å; I153-L174 HydrophobicContact CG2-CD1 4.13Å; I153-L174 WeakPolarHBondContact O-CB 3.35Å; I153-L174 PolarHBondContact O-N 2.63Å; A155-L174 HydrophobicContact CB-CD1 3.86Å; A155-L174 HydrophobicContact CB-CD2 3.86Å; A155-L174 HydrophobicContact CB-CG 3.81Å; E172-L174 PolarHBondContact O-N 3.06Å; L174-I194 HydrophobicContact CB-CB 4.15Å; L174-I194 HydrophobicContact CB-CG2 4.2Å; L174-I194 HydrophobicContact CD1-CD1 4.45Å; L174-K195 WeakPolarHBondContact O-CB 3.28Å; L174-K195 PolarHBondContact O-N 3.2Å; L174-I197 HydrophobicContact CD2-CD1 4.26Å; L174-I197 HydrophobicContact CD2-CG1 4.34Å; L174-I197 HydrophobicContact CD2-CG2 3.44Å; L174-I197 VanDerWaalsContact CD2-CG2 3.44Å; L174-I204 HydrophobicContact CD1-CD1 4.1Å
175	W	97.1	Very high	82.9	Confident	25 Å²	25	72.5 Å²	72.5	10%	0.095	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	145.9	179.8	176	85.9	0	0	0	110.2	V150 V151 R152 I153 I173 E177 F190 P192 I194	V150-W175 HydrophobicContact CG1-CZ3 4.22Å; V150-W175 WeakPolarHBondContact O-CH2 3.47Å; V150-W175 WeakPolarHBondContact O-CZ3 3.42Å; V151-W175 VanDerWaalsContact C-CZ3 3.43Å; V151-W175 WeakPolarHBondContact O-CZ3 3.41Å; R152-W175 WeakPolarHBondContact CA-O 3.41Å; I153-W175 HydrophobicContact CB-CB 4.45Å; I153-W175 HydrophobicContact CD1-CE3 4.42Å; I153-W175 HydrophobicContact CG1-CE3 4.11Å; I153-W175 PolarHBondContact N-O 2.9Å; I153-W175 PolarHBondContact O-N 3.44Å; I173-W175 WeakPolarHBondContact CG2-O 3.13Å; W175-E177 HydrophobicContact CH2-CB 3.84Å; W175-E177 HydrophobicContact CH2-CG 4.28Å; W175-E177 HydrophobicContact CZ2-CB 3.46Å; W175-E177 VanDerWaalsContact CZ2-CB 3.46Å; W175-E177 HydrophobicContact CZ2-CG 3.42Å; W175-E177 VanDerWaalsContact CZ2-CG 3.42Å; W175-E177 PolarHBondContact NE1-OE1 2.74Å; W175-F190 HydrophobicContact CD2-CZ 4.5Å; W175-F190 HydrophobicContact CE3-CE1 4.42Å; W175-F190 HydrophobicContact CE3-CZ 4.42Å; W175-F190 AromaticContact CH2-CE1 3.9Å; W175-F190 HydrophobicContact CH2-CE1 3.9Å; W175-F190 AromaticContact CH2-CZ 3.49Å; W175-F190 HydrophobicContact CH2-CZ 3.49Å; W175-F190 VanDerWaalsContact CH2-CZ 3.49Å; W175-F190 HydrophobicContact CZ2-CE1 4.37Å; W175-F190 HydrophobicContact CZ2-CE2 4.48Å; W175-F190 AromaticContact CZ2-CZ 3.56Å; W175-F190 HydrophobicContact CZ2-CZ 3.56Å; W175-F190 AromaticContact CZ3-CE1 3.92Å; W175-F190 HydrophobicContact CZ3-CE1 3.92Å; W175-F190 AromaticContact CZ3-CZ 3.94Å; W175-F190 HydrophobicContact CZ3-CZ 3.94Å; W175-P192 HydrophobicContact CB-CB 4.41Å; W175-P192 HydrophobicContact CB-CG 4.42Å; W175-P192 HydrophobicContact CD2-CB 3.76Å; W175-P192 HydrophobicContact CD2-CG 4.04Å; W175-P192 HydrophobicContact CE3-CG 4.44Å; W175-P192 HydrophobicContact CG-CB 3.65Å; W175-P192 HydrophobicContact CG-CG 4.03Å; W175-P192 HydrophobicContact CZ2-CB 4.43Å; W175-I194 HydrophobicContact CB-CG2 4.43Å
176	S	95.3	Very high	83.4	Confident	46 Å²	46	75.7 Å²	75.7	32%	0.322	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	128.8	176.5	-179.9	0	0	0	0	110.6	V151 R152	V151-S176 VanDerWaalsContact O-CA 3.28Å; V151-S176 WeakPolarHBondContact O-CA 3.49Å; R152-S176 WeakPolarHBondContact CG-OG 3.28Å; R152-S176 PolarHBondContact NE-OG 3.37Å
177	E	93.1	Very high	84.1	Confident	105 Å²	105	74.8 Å²	74.8	49%	0.491	42%	0.419	S	S	.	.			trans	-141.7	168	173.1	-70.7	-179.9	-161.6	0	0	111.2	V151 W175	V151-E177 PolarHBondContact O-N 3.2Å; W175-E177 HydrophobicContact CH2-CB 3.84Å; W175-E177 HydrophobicContact CH2-CG 4.28Å; W175-E177 HydrophobicContact CZ2-CB 3.46Å; W175-E177 VanDerWaalsContact CZ2-CB 3.46Å; W175-E177 HydrophobicContact CZ2-CG 3.42Å; W175-E177 VanDerWaalsContact CZ2-CG 3.42Å; W175-E177 PolarHBondContact NE1-OE1 2.74Å
178	A	87.6	Confident	85.1	Confident	70 Å²	70	73.1 Å²	73.1	58%	0.579	39%	0.389	S	S	*	.			trans	-67.4	153.2	171.5	0	0	0	0	0	110.3	T180	A178-T180 PolarHBondContact O-N 2.57Å
179	P	84.2	Confident	86.1	Confident	30 Å²	30	69 Å²	69	20%	0.195	37%	0.37	C	S	.	.			trans	-58.2	134	174.9	25.4	-33.8	0	0	0	110	V151 N209 L212	V151-P179 HydrophobicContact CG1-CB 3.95Å; P179-N209 HydrophobicContact CB-CB 4.34Å; P179-L212 HydrophobicContact CB-CD1 3.88Å; P179-L212 HydrophobicContact CB-CG 4.17Å; P179-L212 HydrophobicContact CG-CD1 3.94Å; P179-L212 HydrophobicContact CG-CG 4.26Å; P179-L212 WeakPolarHBondContact O-CD1 3.37Å
180	T	80.7	Confident	86.6	Confident	69 Å²	69	67.5 Å²	67.5	42%	0.423	36%	0.359	S	S	.	.			trans	-117.5	135.2	-179.7	56.1	0	0	0	0	110.2	A178 V182	A178-T180 PolarHBondContact O-N 2.57Å; T180-V182 PolarHBondContact O-N 2.96Å
181	K	77	Confident	87	Confident	110 Å²	110	64 Å²	64	48%	0.478	35%	0.353	S	S	.	.			trans	-78.1	110.9	169.8	-172.1	165.2	-175.8	157.2	0	109.2	D214	K181-D214 VanDerWaalsContact CE-OD2 3.31Å; K181-D214 WeakPolarHBondContact CE-OD2 3.27Å; K181-D214 VanDerWaalsContact NZ-CG 3.3Å; K181-D214 IonicContact NZ-OD1 3.64Å; K181-D214 PolarHBondContact NZ-OD1 3.16Å; K181-D214 VanDerWaalsContact NZ-OD1 3.13Å; K181-D214 IonicContact NZ-OD2 2.66Å; K181-D214 PolarHBondContact NZ-OD2 2.73Å
182	V	79.3	Confident	87.2	Confident	48 Å²	48	62.9 Å²	62.9	29%	0.291	35%	0.35	S	S	.	.			trans	-83.7	124.9	172.5	-177.3	0	0	0	0	108.3	P147 T180 G184	P147-V182 HydrophobicContact CG-CB 4.06Å; P147-V182 HydrophobicContact CG-CG1 3.84Å; T180-V182 PolarHBondContact O-N 2.96Å; V182-G184 PolarHBondContact O-N 2.9Å
183	N	69.8	Low	87.3	Confident	147 Å²	147	67.6 Å²	67.6	79%	0.786	38%	0.384	S	S	*	.			trans	-81.9	117.6	-179.7	-70	-28.9	0	0	0	110.2
184	G	65	Low	87.3	Confident	40 Å²	40	64.8 Å²	64.8	41%	0.412	37%	0.37	S	S	.	.	S	Bend	trans	111	142	170.5	0	0	0	0	0	113.7	V182 Q186	V182-G184 PolarHBondContact O-N 2.9Å; G184-Q186 PolarHBondContact O-N 3.41Å
185	P	66	Low	87.3	Confident	89 Å²	89	69.9 Å²	69.9	58%	0.578	39%	0.392	S	S	*	.	S	Bend	trans	-84.5	51.4	-179.5	37.3	-36.7	0	0	0	110.4	S87	S87-P185 PolarHBondContact OG-O 2.91Å
186	Q	82.6	Confident	87.1	Confident	155 Å²	155	73.5 Å²	73.5	72%	0.724	41%	0.41	S	S	*	.			trans	-104	143.1	178.2	-70	-174.6	-11.7	0	0	110.2	G184	G184-Q186 PolarHBondContact O-N 3.41Å
187	A	90.6	Very high	87	Confident	26 Å²	26	72 Å²	72	22%	0.215	40%	0.398	C	S	.	.			trans	-62.1	141.1	172.1	0	0	0	0	0	108.9	Y84 P85 S87 E143	Y84-A187 HydrophobicContact CD2-CB 4.15Å; Y84-A187 HydrophobicContact CE2-CB 4.13Å; P85-A187 WeakPolarHBondContact O-CB 3.38Å; S87-A187 VanDerWaalsContact CB-N 3.26Å; S87-A187 PolarHBondContact OG-N 2.95Å; E143-A187 CarbonylContact O-C 3.56Å; E143-A187 WeakPolarHBondContact O-CA 3.47Å
188	R	92.4	Very high	86.9	Confident	74 Å²	74	71.2 Å²	71.2	28%	0.279	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.2	-173.9	176	178.5	175.9	-136.4	14.6	109.1	E143 P147 F190	E143-R188 HydrophobicContact CB-CB 4.43Å; E143-R188 PolarHBondContact N-O 3.42Å; E143-R188 PolarHBondContact O-N 3.39Å; E143-R188 WeakPolarHBondContact OE2-CD 3.48Å; E143-R188 IonicContact OE2-CZ 2.67Å; E143-R188 IonicContact OE2-NE 3.13Å; E143-R188 IonicContact OE2-NH1 2.73Å; E143-R188 PolarHBondContact OE2-NH1 3.02Å; P147-R188 HydrophobicContact CB-CB 4.02Å; P147-R188 HydrophobicContact CG-CB 4.31Å; R188-F190 HydrophobicContact CG-CB 4.48Å; R188-F190 VanDerWaalsContact NH2-CE2 3.34Å; R188-F190 PolarHBondContact O-N 2.86Å
189	Q	95.3	Very high	87.2	Confident	85 Å²	85	69 Å²	69	40%	0.397	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	104.6	157.8	176.3	177.8	-42.9	0	0	108	Y84 H140 L142 T191	Y84-Q189 HydrophobicContact CE2-CB 4.41Å; Y84-Q189 VanDerWaalsContact OH-CB 3.31Å; Y84-Q189 WeakPolarHBondContact OH-CB 3.43Å; H140-Q189 HydrophobicContact CB-CG 4.09Å; H140-Q189 PolarHBondContact ND1-NE2 2.98Å; L142-Q189 HydrophobicContact CD2-CB 3.9Å; L142-Q189 HydrophobicContact CD2-CG 3.75Å; Q189-T191 PolarHBondContact NE2-OG1 3.49Å
190	F	95.1	Very high	87.6	Confident	19 Å²	19	69.9 Å²	69.9	8%	0.083	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.7	175	178.9	-132.4	0	0	0	110.1	H140 I141 V150 W175 R188 P192	H140-F190 WeakPolarHBondContact CA-O 3.46Å; I141-F190 HydrophobicContact CB-CB 4.35Å; I141-F190 HydrophobicContact CD1-CD1 4.1Å; I141-F190 PolarHBondContact N-O 3.13Å; I141-F190 PolarHBondContact O-N 2.95Å; V150-F190 HydrophobicContact CB-CD1 4.25Å; V150-F190 HydrophobicContact CB-CE1 4.11Å; V150-F190 HydrophobicContact CG1-CD1 4.5Å; V150-F190 HydrophobicContact CG1-CE1 4.13Å; W175-F190 HydrophobicContact CD2-CZ 4.5Å; W175-F190 HydrophobicContact CE3-CE1 4.42Å; W175-F190 HydrophobicContact CE3-CZ 4.42Å; W175-F190 AromaticContact CH2-CE1 3.9Å; W175-F190 HydrophobicContact CH2-CE1 3.9Å; W175-F190 AromaticContact CH2-CZ 3.49Å; W175-F190 HydrophobicContact CH2-CZ 3.49Å; W175-F190 VanDerWaalsContact CH2-CZ 3.49Å; W175-F190 HydrophobicContact CZ2-CE1 4.37Å; W175-F190 HydrophobicContact CZ2-CE2 4.48Å; W175-F190 AromaticContact CZ2-CZ 3.56Å; W175-F190 HydrophobicContact CZ2-CZ 3.56Å; W175-F190 AromaticContact CZ3-CE1 3.92Å; W175-F190 HydrophobicContact CZ3-CE1 3.92Å; W175-F190 AromaticContact CZ3-CZ 3.94Å; W175-F190 HydrophobicContact CZ3-CZ 3.94Å; R188-F190 HydrophobicContact CG-CB 4.48Å; R188-F190 VanDerWaalsContact NH2-CE2 3.34Å; R188-F190 PolarHBondContact O-N 2.86Å; F190-P192 HydrophobicContact CD1-CG 4.47Å; F190-P192 HydrophobicContact CE1-CB 4.34Å; F190-P192 HydrophobicContact CE1-CG 3.83Å; F190-P192 HydrophobicContact CE2-CB 4.01Å; F190-P192 HydrophobicContact CE2-CG 4.24Å; F190-P192 HydrophobicContact CZ-CB 3.7Å; F190-P192 HydrophobicContact CZ-CG 3.71Å
191	T	96.1	Very high	88.3	Confident	61 Å²	61	66.6 Å²	66.6	37%	0.374	36%	0.36	S	S	.	.			trans	-134.4	81.1	-177.9	-56.6	0	0	0	0	109.5	A138 H140 Q189	A138-T191 HydrophobicContact CB-CG2 4.46Å; H140-T191 WeakPolarHBondContact CD2-CG2 3.3Å; H140-T191 PolarHBondContact CD2-OG1 3.35Å; Q189-T191 PolarHBondContact NE2-OG1 3.49Å
192	P	96.2	Very high	89.2	Confident	12 Å²	12	62.8 Å²	62.8	8%	0.078	35%	0.345	C	S	.	.			trans	-71.2	156.3	178	28.6	-32.7	0	0	0	111.7	I153 W175 F190 I194	I153-P192 HydrophobicContact CD1-CG 3.57Å; W175-P192 HydrophobicContact CB-CB 4.41Å; W175-P192 HydrophobicContact CB-CG 4.42Å; W175-P192 HydrophobicContact CD2-CB 3.76Å; W175-P192 HydrophobicContact CD2-CG 4.04Å; W175-P192 HydrophobicContact CE3-CG 4.44Å; W175-P192 HydrophobicContact CG-CB 3.65Å; W175-P192 HydrophobicContact CG-CG 4.03Å; W175-P192 HydrophobicContact CZ2-CB 4.43Å; F190-P192 HydrophobicContact CD1-CG 4.47Å; F190-P192 HydrophobicContact CE1-CB 4.34Å; F190-P192 HydrophobicContact CE1-CG 3.83Å; F190-P192 HydrophobicContact CE2-CB 4.01Å; F190-P192 HydrophobicContact CE2-CG 4.24Å; F190-P192 HydrophobicContact CZ-CB 3.7Å; F190-P192 HydrophobicContact CZ-CG 3.71Å; P192-I194 PolarHBondContact O-N 2.91Å
193	C	96.6	Very high	90	Very high	124 Å²	124	60.5 Å²	60.5	84%	0.838	33%	0.331	S	S	*	.			trans	-71.1	111.1	169.6	-68.5	0	0	0	0	109.3
194	I	96.8	Very high	91.3	Very high	20 Å²	20	53.5 Å²	53.5	10%	0.103	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-91	142.5	-178	61.1	172.4	0	0	0	112.3	P136 V139 L174 W175 P192	P136-I194 HydrophobicContact CB-CD1 3.66Å; V139-I194 HydrophobicContact CG2-CD1 4.35Å; L174-I194 HydrophobicContact CB-CB 4.15Å; L174-I194 HydrophobicContact CB-CG2 4.2Å; L174-I194 HydrophobicContact CD1-CD1 4.45Å; W175-I194 HydrophobicContact CB-CG2 4.43Å; P192-I194 PolarHBondContact O-N 2.91Å
195	K	96.5	Very high	92.9	Very high	112 Å²	112	51.6 Å²	51.6	49%	0.487	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.9	132.4	169.7	-178.2	-168.2	173.6	-164.7	0	109.9	E172 L174	E172-K195 IonicContact OE2-NZ 3.85Å; E172-K195 PolarHBondContact OE2-NZ 3.3Å; L174-K195 WeakPolarHBondContact O-CB 3.28Å; L174-K195 PolarHBondContact O-N 3.2Å
196	Q	93.4	Very high	94.4	Very high	102 Å²	102	47.4 Å²	47.4	48%	0.477	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-71	132.2	173.4	-65.6	-61	-54.9	0	0	111	P136	P136-Q196 PolarHBondContact O-NE2 2.91Å
197	I	93.7	Very high	95.1	Very high	14 Å²	14	40 Å²	40	7%	0.072	21%	0.212	C	C	.	.			trans	-109	160.3	178	56.3	168.6	0	0	0	111.1	P136 A155 E172 L174 F199 T201	P136-I197 HydrophobicContact CG-CD1 4.01Å; P136-I197 HydrophobicContact CG-CG1 4.43Å; A155-I197 HydrophobicContact CB-CD1 3.83Å; E172-I197 HydrophobicContact CB-CG2 3.93Å; E172-I197 HydrophobicContact CG-CG2 4.17Å; L174-I197 HydrophobicContact CD2-CD1 4.26Å; L174-I197 HydrophobicContact CD2-CG1 4.34Å; L174-I197 HydrophobicContact CD2-CG2 3.44Å; L174-I197 VanDerWaalsContact CD2-CG2 3.44Å; I197-F199 HydrophobicContact CD1-CD2 3.81Å; I197-F199 HydrophobicContact CD1-CE2 3.58Å; I197-F199 HydrophobicContact CD1-CG 4.49Å; I197-F199 HydrophobicContact CD1-CZ 4.1Å; I197-F199 VanDerWaalsContact CD1-O 3.23Å; I197-F199 WeakPolarHBondContact CD1-O 3.32Å; I197-T201 HydrophobicContact CD1-CG2 4.16Å
198	N	90.9	Very high	95.3	Very high	88 Å²	88	38.8 Å²	38.8	47%	0.471	20%	0.202	S	C	.	.	S	Bend	trans	-102	11.7	-175.7	67.5	-17.7	0	0	0	113.8
199	F	92.8	Very high	95.4	Very high	24 Å²	24	35.8 Å²	35.8	11%	0.105	19%	0.192	C	C	.	.	S	Bend	trans	-134.1	150	174.7	55.4	-101.9	0	0	0	110.1	A155 S157 E172 I197	A155-F199 HydrophobicContact CB-CE2 4.42Å; S157-F199 VanDerWaalsContact CA-CD2 3.47Å; E172-F199 HydrophobicContact CB-CE1 4.36Å; E172-F199 HydrophobicContact CB-CZ 3.95Å; E172-F199 HydrophobicContact CG-CE1 3.53Å; E172-F199 HydrophobicContact CG-CZ 3.62Å; I197-F199 HydrophobicContact CD1-CD2 3.81Å; I197-F199 HydrophobicContact CD1-CE2 3.58Å; I197-F199 HydrophobicContact CD1-CG 4.49Å; I197-F199 HydrophobicContact CD1-CZ 4.1Å; I197-F199 VanDerWaalsContact CD1-O 3.23Å; I197-F199 WeakPolarHBondContact CD1-O 3.32Å
200	P	93.7	Very high	95.2	Very high	48 Å²	48	31.8 Å²	31.8	31%	0.312	17%	0.173	S	C	.	.			trans	-75.5	148	171.6	34.5	-35.1	0	0	0	110.1	P133 V134 Y135	P133-P200 HydrophobicContact CB-CB 4.16Å; V134-P200 CarbonylContact O-C 3.57Å; V134-P200 VanDerWaalsContact O-CA 3.3Å; V134-P200 WeakPolarHBondContact O-CA 3.01Å; Y135-P200 HydrophobicContact CD2-CB 4.25Å; Y135-P200 HydrophobicContact CE2-CB 4.07Å; Y135-P200 HydrophobicContact CE2-CG 4.45Å
201	T	95.2	Very high	94.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.1	180	-172.1	0	0	0	0	111	P133 V134 P136 A155 C156 I197 L203 I204	P133-T201 WeakPolarHBondContact CA-O 3.35Å; V134-T201 PolarHBondContact N-O 3.46Å; V134-T201 PolarHBondContact O-N 2.93Å; P136-T201 HydrophobicContact CG-CG2 3.39Å; A155-T201 HydrophobicContact CB-CG2 3.86Å; C156-T201 PolarHBondContact N-OG1 3.35Å; C156-T201 VanDerWaalsContact O-CB 3.28Å; C156-T201 WeakPolarHBondContact O-CB 3.47Å; C156-T201 PolarHBondContact O-OG1 2.93Å; I197-T201 HydrophobicContact CD1-CG2 4.16Å; T201-L203 PolarHBondContact OG1-N 3.13Å; T201-L203 PolarHBondContact OG1-O 2.92Å; T201-L203 VanDerWaalsContact OG1-O 3.13Å; T201-I204 HydrophobicContact CG2-CD1 4.03Å
202	N	95.5	Very high	94.5	Very high	30 Å²	30	32.8 Å²	32.8	16%	0.16	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	19.4	166.8	68.7	-29.6	0	0	0	111.6	A129 F130 P133 N159	A129-N202 CarbonylContact C-O 3.59Å; A129-N202 WeakPolarHBondContact CA-O 3.45Å; F130-N202 HydrophobicContact CB-CB 4.29Å; F130-N202 PolarHBondContact N-O 2.94Å; F130-N202 PolarHBondContact O-ND2 3.38Å; P133-N202 HydrophobicContact CB-CB 4.2Å; N159-N202 WeakPolarHBondContact CB-OD1 3.27Å
203	L	96.1	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	113.8	-178.8	171.3	60.8	0	0	0	109.2	L58 E127 L128 C156 N159 P160 W171 T201	L58-L203 HydrophobicContact CD1-CD1 3.52Å; E127-L203 HydrophobicContact CB-CD1 4.2Å; L128-L203 WeakPolarHBondContact O-CA 3.32Å; L128-L203 WeakPolarHBondContact O-CD1 3.2Å; C156-L203 HydrophobicContact CB-CB 3.86Å; C156-L203 HydrophobicContact CB-CD2 3.71Å; C156-L203 HydrophobicContact CB-CG 3.73Å; C156-L203 PolarHBondContact N-O 2.92Å; N159-L203 HydrophobicContact CB-CB 4.39Å; P160-L203 HydrophobicContact CG-CD2 4.47Å; W171-L203 HydrophobicContact CH2-CD2 3.97Å; W171-L203 HydrophobicContact CH2-CG 3.91Å; W171-L203 HydrophobicContact CZ2-CD2 4.16Å; T201-L203 PolarHBondContact OG1-N 3.13Å; T201-L203 PolarHBondContact OG1-O 2.92Å; T201-L203 VanDerWaalsContact OG1-O 3.13Å
204	I	97.8	Very high	93.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.6	178	-59.1	-61.5	0	0	0	109	L128 F130 I153 L154 A155 L174 T201 L206 L224	L128-I204 PolarHBondContact N-O 3.31Å; L128-I204 PolarHBondContact O-N 2.77Å; F130-I204 HydrophobicContact CD2-CG1 4.27Å; F130-I204 HydrophobicContact CE2-CB 3.86Å; F130-I204 HydrophobicContact CE2-CG1 3.67Å; F130-I204 HydrophobicContact CZ-CG1 4.41Å; I153-I204 HydrophobicContact CG2-CG2 3.73Å; L154-I204 CarbonylContact O-C 3.38Å; L154-I204 VanDerWaalsContact O-CA 3.29Å; L154-I204 WeakPolarHBondContact O-CA 3.08Å; A155-I204 HydrophobicContact CB-CD1 4Å; L174-I204 HydrophobicContact CD1-CD1 4.1Å; T201-I204 HydrophobicContact CG2-CD1 4.03Å; I204-L206 HydrophobicContact CG2-CD2 3.96Å; I204-L224 HydrophobicContact CD1-CD1 4.48Å; I204-L224 HydrophobicContact CG1-CD1 4.45Å; I204-L224 HydrophobicContact CG1-CD2 4.47Å
205	R	97.4	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.4	168.6	177.2	175.2	170.3	122.5	-0.8	109.1	Y125 V126 E127 I153 L154 W171 E207 W328	Y125-R205 HydrophobicContact CD2-CG 4.47Å; Y125-R205 VanDerWaalsContact CD2-CZ 3.43Å; Y125-R205 VanDerWaalsContact CD2-NH1 3.31Å; Y125-R205 VanDerWaalsContact CE2-NH1 3.28Å; V126-R205 WeakPolarHBondContact O-CA 3.42Å; E127-R205 HydrophobicContact CG-CB 4.12Å; E127-R205 HydrophobicContact CG-CG 4.02Å; E127-R205 IonicContact OE1-CZ 3.81Å; E127-R205 IonicContact OE1-NH1 3.58Å; E127-R205 PolarHBondContact OE1-NH1 3.35Å; I153-R205 WeakPolarHBondContact CA-O 3.36Å; L154-R205 HydrophobicContact CB-CB 4.35Å; L154-R205 HydrophobicContact CD1-CB 4.45Å; L154-R205 HydrophobicContact CD1-CG 4.37Å; L154-R205 PolarHBondContact N-O 3.04Å; L154-R205 PolarHBondContact O-N 3.23Å; W171-R205 HydrophobicContact CE3-CB 4.32Å; W171-R205 HydrophobicContact CH2-CB 3.81Å; W171-R205 HydrophobicContact CZ3-CB 3.44Å; W171-R205 VanDerWaalsContact CZ3-CB 3.44Å; R205-E207 HydrophobicContact CG-CG 4.3Å; R205-E207 IonicContact CZ-OE1 2.95Å; R205-E207 IonicContact NE-OE1 2.73Å; R205-E207 PolarHBondContact NE-OE1 3.21Å; R205-E207 VanDerWaalsContact NE-OE1 3.13Å; R205-E207 IonicContact NH2-OE1 3.86Å; R205-W328 VanDerWaalsContact CD-CZ2 3.41Å; R205-W328 VanDerWaalsContact NE-CZ2 3.26Å
206	L	97.9	Very high	92.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.7	169.6	-56.6	-175.2	0	0	0	108.1	Y125 V126 L128 I141 I153 I204 V222	Y125-L206 CarbonylContact C-O 3.56Å; Y125-L206 WeakPolarHBondContact CA-O 3.45Å; Y125-L206 WeakPolarHBondContact CB-O 3.47Å; V126-L206 HydrophobicContact CG1-CB 3.94Å; V126-L206 HydrophobicContact CG1-CD1 4.45Å; V126-L206 HydrophobicContact CG1-CG 4.48Å; V126-L206 PolarHBondContact N-O 3.08Å; V126-L206 PolarHBondContact O-N 3.48Å; L128-L206 HydrophobicContact CD1-CD1 4.26Å; I141-L206 HydrophobicContact CD1-CD1 3.88Å; I141-L206 HydrophobicContact CD1-CD2 3.69Å; I141-L206 HydrophobicContact CD1-CG 4.44Å; I141-L206 HydrophobicContact CG1-CD1 4.18Å; I141-L206 HydrophobicContact CG1-CD2 4.49Å; I153-L206 HydrophobicContact CB-CD2 4.34Å; I153-L206 HydrophobicContact CD1-CD2 4.44Å; I153-L206 HydrophobicContact CG1-CD2 3.82Å; I153-L206 HydrophobicContact CG2-CD2 4.09Å; I204-L206 HydrophobicContact CG2-CD2 3.96Å; L206-V222 HydrophobicContact CD1-CG2 3.68Å
207	E	97.1	Very high	92.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.9	169.4	-52.7	-171.9	158.4	0	0	109	S122 D124 V151 R152 L154 R205 W328	S122-E207 VanDerWaalsContact CB-OE2 3.31Å; S122-E207 WeakPolarHBondContact CB-OE2 3.34Å; S122-E207 WeakPolarHBondContact OG-CB 3.23Å; S122-E207 PolarHBondContact OG-OE2 2.75Å; D124-E207 WeakPolarHBondContact O-CA 3.09Å; V151-E207 WeakPolarHBondContact CG2-O 3.34Å; V151-E207 PolarHBondContact N-O 2.91Å; R152-E207 HydrophobicContact CB-CB 4.07Å; R152-E207 HydrophobicContact CB-CG 4.37Å; R152-E207 WeakPolarHBondContact CD-OE2 3.2Å; R152-E207 IonicContact CZ-OE2 3.81Å; R152-E207 PolarHBondContact N-O 3.04Å; R152-E207 IonicContact NE-OE2 2.63Å; R152-E207 IonicContact NH1-OE2 3.13Å; R152-E207 PolarHBondContact NH1-OE2 3.26Å; R152-E207 PolarHBondContact O-N 2.92Å; L154-E207 HydrophobicContact CD1-CG 3.85Å; R205-E207 HydrophobicContact CG-CG 4.3Å; R205-E207 IonicContact CZ-OE1 2.95Å; R205-E207 IonicContact NE-OE1 2.73Å; R205-E207 PolarHBondContact NE-OE1 3.21Å; R205-E207 VanDerWaalsContact NE-OE1 3.13Å; R205-E207 IonicContact NH2-OE1 3.86Å; E207-W328 PolarHBondContact OE1-NE1 3.33Å
208	V	95.6	Very high	92.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.1	-175	-55.6	0	0	0	0	111.8	F96 Q123 D124 A149 V150	F96-V208 HydrophobicContact CD1-CG2 4.29Å; F96-V208 HydrophobicContact CD2-CG2 3.7Å; F96-V208 HydrophobicContact CE1-CG2 4.18Å; F96-V208 HydrophobicContact CE2-CB 4.32Å; F96-V208 HydrophobicContact CE2-CG1 3.85Å; F96-V208 HydrophobicContact CE2-CG2 3.58Å; F96-V208 HydrophobicContact CG-CG2 4.05Å; F96-V208 HydrophobicContact CZ-CG1 4.28Å; F96-V208 HydrophobicContact CZ-CG2 3.83Å; Q123-V208 PolarHBondContact N-O 3.33Å; D124-V208 HydrophobicContact CB-CG2 3.56Å; D124-V208 PolarHBondContact N-O 3.26Å; D124-V208 VanDerWaalsContact N-O 3.14Å; D124-V208 PolarHBondContact O-N 3.14Å; A149-V208 HydrophobicContact CB-CB 4.13Å; A149-V208 HydrophobicContact CB-CG1 4.45Å; A149-V208 CarbonylContact O-C 3.53Å; A149-V208 WeakPolarHBondContact O-CA 3.5Å; V150-V208 HydrophobicContact CG2-CG1 4.32Å
209	N	94.1	Very high	92.6	Very high	12 Å²	12	15.1 Å²	15.1	6%	0.064	8%	0.082	C	C	.	.			trans	-137.5	114.7	169.9	178.3	-35.1	0	0	0	108.3	C121 Q123 A149 V151 P179 S211	C121-N209 VanDerWaalsContact O-CB 3.31Å; C121-N209 WeakPolarHBondContact O-CB 3.45Å; C121-N209 PolarHBondContact O-ND2 2.82Å; Q123-N209 HydrophobicContact CG-CB 4.4Å; Q123-N209 PolarHBondContact OE1-OD1 2.74Å; A149-N209 PolarHBondContact O-N 3.26Å; V151-N209 HydrophobicContact CG1-CB 3.78Å; V151-N209 HydrophobicContact CG2-CB 4.12Å; P179-N209 HydrophobicContact CB-CB 4.34Å; N209-S211 WeakPolarHBondContact OD1-CB 3.28Å; N209-S211 PolarHBondContact OD1-N 3.01Å; N209-S211 PolarHBondContact OD1-OG 3.38Å
210	S	90.9	Very high	92.7	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.077	C	C	.	.			trans	-100.4	8.8	-177.4	-58.6	0	0	0	0	112.8	G100 L212 L213	G100-S210 PolarHBondContact N-O 3.38Å; S210-L212 VanDerWaalsContact C-N 3.27Å; S210-L212 PolarHBondContact O-N 2.5Å; S210-L213 WeakPolarHBondContact O-CB 3.43Å; S210-L213 PolarHBondContact O-N 3.18Å
211	S	89.1	Confident	92.9	Very high	23 Å²	23	11.7 Å²	11.7	16%	0.161	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.9	-174.3	63.9	0	0	0	0	114.1	G100 N209	G100-S211 CarbonylContact C-O 3.43Å; G100-S211 WeakPolarHBondContact CA-O 3.47Å; N209-S211 WeakPolarHBondContact OD1-CB 3.28Å; N209-S211 PolarHBondContact OD1-N 3.01Å; N209-S211 PolarHBondContact OD1-OG 3.38Å
212	L	87.8	Confident	93.1	Very high	78 Å²	78	11.7 Å²	11.7	41%	0.408	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.8	177.7	-60.1	-172.2	0	0	0	113.5	P179 S210	P179-L212 HydrophobicContact CB-CD1 3.88Å; P179-L212 HydrophobicContact CB-CG 4.17Å; P179-L212 HydrophobicContact CG-CD1 3.94Å; P179-L212 HydrophobicContact CG-CG 4.26Å; P179-L212 WeakPolarHBondContact O-CD1 3.37Å; S210-L212 VanDerWaalsContact C-N 3.27Å; S210-L212 PolarHBondContact O-N 2.5Å
213	L	86.3	Confident	93.2	Very high	11 Å²	11	10.6 Å²	10.6	6%	0.058	6%	0.057	C	C	.	.			trans	-84.6	136.4	-178.5	-59.9	-174.6	0	0	0	110.5	G100 H146 A149 S210 Y215	G100-L213 WeakPolarHBondContact CA-O 3.49Å; G100-L213 PolarHBondContact N-O 3.5Å; H146-L213 WeakPolarHBondContact O-CD1 3.31Å; A149-L213 HydrophobicContact CB-CD1 3.74Å; S210-L213 WeakPolarHBondContact O-CB 3.43Å; S210-L213 PolarHBondContact O-N 3.18Å; L213-Y215 WeakPolarHBondContact CB-O 3.38Å; L213-Y215 PolarHBondContact O-N 2.64Å
214	D	82.7	Confident	93.3	Very high	63 Å²	63	10.6 Å²	10.6	34%	0.337	6%	0.057	S	C	.	.	S	Bend	trans	-72.2	-20.1	176.4	-64.3	-38.4	0	0	0	111.1	Y99 K181 K615	Y99-D214 WeakPolarHBondContact CE2-O 3.43Å; K181-D214 VanDerWaalsContact CE-OD2 3.31Å; K181-D214 WeakPolarHBondContact CE-OD2 3.27Å; K181-D214 VanDerWaalsContact NZ-CG 3.3Å; K181-D214 IonicContact NZ-OD1 3.64Å; K181-D214 PolarHBondContact NZ-OD1 3.16Å; K181-D214 VanDerWaalsContact NZ-OD1 3.13Å; K181-D214 IonicContact NZ-OD2 2.66Å; K181-D214 PolarHBondContact NZ-OD2 2.73Å; D214-K615 WeakPolarHBondContact O-CD 3.11Å; D214-K615 WeakPolarHBondContact O-CE 3.42Å; D214-K615 PolarHBondContact O-NZ 3.44Å
215	Y	87.4	Confident	93.3	Very high	6 Å²	6	11.9 Å²	11.9	2%	0.024	6%	0.063	C	C	.	.	S	Bend	trans	-152	-178.4	179	-151.3	-119.3	0	0	0	111.9	Y99 Y145 H146 L213 T217 L566 D590 S592 K615	Y99-Y215 VanDerWaalsContact CD2-CA 3.45Å; Y99-Y215 HydrophobicContact CE1-CD2 4.35Å; Y99-Y215 HydrophobicContact CE1-CE2 4.39Å; Y99-Y215 AromaticContact CE2-CD2 3.88Å; Y99-Y215 HydrophobicContact CE2-CD2 3.88Å; Y99-Y215 AromaticContact CZ-CD2 3.73Å; Y99-Y215 AromaticContact CZ-CE2 3.92Å; Y145-Y215 HydrophobicContact CD1-CD1 4.37Å; Y145-Y215 AromaticContact CE1-CD1 3.59Å; Y145-Y215 HydrophobicContact CE1-CD1 3.59Å; Y145-Y215 HydrophobicContact CE1-CE1 4.07Å; H146-Y215 VanDerWaalsContact CE1-CB 3.43Å; H146-Y215 WeakPolarHBondContact CE1-CB 3.44Å; L213-Y215 WeakPolarHBondContact CB-O 3.38Å; L213-Y215 PolarHBondContact O-N 2.64Å; Y215-T217 PolarHBondContact O-N 2.63Å; Y215-L566 VanDerWaalsContact OH-CD1 3.28Å; Y215-L566 WeakPolarHBondContact OH-CD1 3.35Å; Y215-D590 VanDerWaalsContact CE2-OD2 3.26Å; Y215-D590 WeakPolarHBondContact CE2-OD2 3.47Å; Y215-D590 PolarHBondContact OH-OD2 3.47Å; Y215-S592 WeakPolarHBondContact OH-CB 3.37Å; Y215-S592 PolarHBondContact OH-OG 2.97Å; Y215-S592 VanDerWaalsContact OH-OG 3.09Å; Y215-K615 HydrophobicContact CD2-CD 4.03Å; Y215-K615 HydrophobicContact CD2-CG 4.42Å; Y215-K615 HydrophobicContact CE2-CB 4.24Å; Y215-K615 HydrophobicContact CE2-CG 4.49Å
216	Y	88.1	Confident	93.2	Very high	16 Å²	16	11.9 Å²	11.9	6%	0.063	6%	0.063	C	C	.	.			trans	-54.2	133.7	175.1	-63.9	-70.3	0	0	0	112.1	Y64 V95 F96 R97 Y99 H146	Y64-Y216 HydrophobicContact CD2-CD1 4.42Å; Y64-Y216 AromaticContact CD2-CE1 3.75Å; Y64-Y216 HydrophobicContact CD2-CE1 3.75Å; Y64-Y216 HydrophobicContact CD2-CE2 4.44Å; Y64-Y216 AromaticContact CD2-CZ 3.78Å; Y64-Y216 HydrophobicContact CE2-CE1 4.02Å; Y64-Y216 AromaticContact CE2-CE2 3.96Å; Y64-Y216 HydrophobicContact CE2-CE2 3.96Å; Y64-Y216 AromaticContact CE2-CZ 3.53Å; Y64-Y216 WeakPolarHBondContact CE2-OH 3.42Å; V95-Y216 HydrophobicContact CG1-CD1 3.85Å; V95-Y216 HydrophobicContact CG1-CG 3.93Å; F96-Y216 WeakPolarHBondContact O-CD1 3.26Å; R97-Y216 WeakPolarHBondContact O-CE1 3.07Å; Y99-Y216 AromaticContact CD1-CD1 3.52Å; Y99-Y216 HydrophobicContact CD1-CD1 3.52Å; Y99-Y216 HydrophobicContact CD1-CD2 4.12Å; Y99-Y216 AromaticContact CD1-CE1 3.34Å; Y99-Y216 HydrophobicContact CD1-CE1 3.34Å; Y99-Y216 AromaticContact CD1-CE2 3.95Å; Y99-Y216 HydrophobicContact CD1-CE2 3.95Å; Y99-Y216 AromaticContact CD1-CG 3.9Å; Y99-Y216 HydrophobicContact CD1-CG 3.9Å; Y99-Y216 AromaticContact CD1-CZ 3.55Å; Y99-Y216 HydrophobicContact CE1-CD1 4.14Å; Y99-Y216 HydrophobicContact CE1-CD2 4.01Å; Y99-Y216 AromaticContact CE1-CE1 3.69Å; Y99-Y216 HydrophobicContact CE1-CE1 3.69Å; Y99-Y216 AromaticContact CE1-CE2 3.53Å; Y99-Y216 HydrophobicContact CE1-CE2 3.53Å; Y99-Y216 HydrophobicContact CE1-CG 4.27Å; Y99-Y216 AromaticContact CE1-CZ 3.34Å; Y99-Y216 HydrophobicContact CG-CD1 4.38Å; H146-Y216 WeakPolarHBondContact CB-O 3.32Å
217	T	89.9	Confident	93.1	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.012	7%	0.066	C	C	.	.			trans	-81.9	137	168.2	-162.5	0	0	0	0	109.9	F96 Y145 H146 A149 Y215	F96-T217 HydrophobicContact CD2-CG2 4.29Å; Y145-T217 WeakPolarHBondContact O-CA 3.28Å; H146-T217 PolarHBondContact O-OG1 2.67Å; A149-T217 HydrophobicContact CB-CG2 3.58Å; Y215-T217 PolarHBondContact O-N 2.63Å
218	E	93.1	Very high	92.7	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.5	176	-64.5	-165.8	-171.5	0	0	111.4	D89 F90 T93 V95 E143 T144 Y145	D89-E218 VanDerWaalsContact CA-OE1 3.24Å; D89-E218 WeakPolarHBondContact CA-OE1 3.49Å; F90-E218 PolarHBondContact N-OE1 2.81Å; F90-E218 PolarHBondContact N-OE2 3.47Å; T93-E218 HydrophobicContact CG2-CB 4.3Å; T93-E218 WeakPolarHBondContact CG2-OE2 3.28Å; T93-E218 WeakPolarHBondContact OG1-CB 3.25Å; T93-E218 WeakPolarHBondContact OG1-CG 3.01Å; T93-E218 PolarHBondContact OG1-OE2 3.32Å; V95-E218 HydrophobicContact CG2-CG 3.73Å; E143-E218 WeakPolarHBondContact CA-O 3.4Å; T144-E218 PolarHBondContact N-O 3.16Å; T144-E218 WeakPolarHBondContact OG1-CB 3.35Å; Y145-E218 HydrophobicContact CD1-CG 4.14Å; Y145-E218 HydrophobicContact CG-CG 4.37Å; Y145-E218 PolarHBondContact O-N 3Å
219	L	95.4	Very high	92.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.1	177.7	-53.9	-178.7	0	0	0	109.4	L77 A94 F96 I141 E143	L77-L219 HydrophobicContact CD2-CB 3.69Å; A94-L219 PolarHBondContact N-O 2.77Å; A94-L219 PolarHBondContact O-N 3.35Å; F96-L219 HydrophobicContact CE2-CD1 4.32Å; I141-L219 HydrophobicContact CG2-CD2 3.99Å; E143-L219 HydrophobicContact CB-CD2 4.39Å; E143-L219 HydrophobicContact CG-CD2 3.81Å
220	D	96.4	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-46.5	-177.3	-171.9	27.2	0	0	0	112.1	P81 N82 V83 Y84 T93 L142 T144	P81-D220 WeakPolarHBondContact CA-OD2 3.18Å; P81-D220 WeakPolarHBondContact CB-OD2 3.07Å; N82-D220 PolarHBondContact N-OD1 2.7Å; N82-D220 PolarHBondContact N-OD2 2.83Å; V83-D220 PolarHBondContact N-OD2 3.32Å; Y84-D220 WeakPolarHBondContact CB-OD2 3.47Å; Y84-D220 PolarHBondContact N-OD2 3.44Å; T93-D220 HydrophobicContact CG2-CB 4.32Å; L142-D220 PolarHBondContact O-N 3.01Å; T144-D220 HydrophobicContact CG2-CB 3.7Å
221	A	97.6	Very high	90	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.9	175.9	0	0	0	0	0	112.8	Y53 P81 L142	Y53-A221 HydrophobicContact CD1-CB 4.46Å; P81-A221 HydrophobicContact CB-CB 4.1Å; L142-A221 HydrophobicContact CD1-CB 4.15Å; L142-A221 PolarHBondContact N-O 3.4Å
222	V	98.3	Very high	88.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.9	172.6	-176.5	0	0	0	0	109.2	A54 L77 L128 F130 V139 H140 I141 L206	A54-V222 PolarHBondContact N-O 3.02Å; A54-V222 VanDerWaalsContact N-O 3.13Å; L77-V222 HydrophobicContact CD2-CG2 4.29Å; L128-V222 HydrophobicContact CD1-CB 3.7Å; L128-V222 HydrophobicContact CD1-CG1 4.13Å; L128-V222 HydrophobicContact CD1-CG2 3.48Å; L128-V222 VanDerWaalsContact CD1-CG2 3.48Å; F130-V222 HydrophobicContact CZ-CG1 4.13Å; V139-V222 HydrophobicContact CG1-CG1 3.9Å; H140-V222 CarbonylContact O-C 3.55Å; H140-V222 WeakPolarHBondContact O-CA 3.45Å; I141-V222 HydrophobicContact CG1-CG1 4.32Å; I141-V222 HydrophobicContact CG1-CG2 4.41Å; I141-V222 HydrophobicContact CG2-CG2 4.45Å; L206-V222 HydrophobicContact CD1-CG2 3.68Å
223	V	98.3	Very high	86.6	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.9	-179	-161.7	0	0	0	0	108.9	V51 Q52 Y53 V139 H140	V51-V223 HydrophobicContact CG1-CG1 3.57Å; Q52-V223 WeakPolarHBondContact O-CA 3.38Å; Y53-V223 HydrophobicContact CD1-CG2 3.76Å; Y53-V223 HydrophobicContact CE1-CG1 4.39Å; Y53-V223 HydrophobicContact CE1-CG2 3.5Å; V139-V223 WeakPolarHBondContact CA-O 3.01Å; H140-V223 HydrophobicContact CB-CB 4.07Å; H140-V223 HydrophobicContact CB-CG2 4.34Å; H140-V223 PolarHBondContact N-O 3.27Å; H140-V223 PolarHBondContact O-N 2.62Å
224	L	98.3	Very high	84.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.9	174.2	178.2	62.6	0	0	0	108.9	Q52 F130 V134 P136 V139 I204	Q52-L224 HydrophobicContact CG-CB 4.22Å; Q52-L224 PolarHBondContact N-O 3.26Å; Q52-L224 PolarHBondContact O-N 3.28Å; F130-L224 HydrophobicContact CB-CD2 4.2Å; F130-L224 HydrophobicContact CD1-CB 3.6Å; F130-L224 HydrophobicContact CD1-CD2 4.11Å; F130-L224 HydrophobicContact CD2-CD2 3.91Å; F130-L224 HydrophobicContact CE1-CB 3.41Å; F130-L224 VanDerWaalsContact CE1-CB 3.41Å; F130-L224 HydrophobicContact CE1-CD2 4.49Å; F130-L224 HydrophobicContact CE2-CB 4.39Å; F130-L224 HydrophobicContact CE2-CD2 4.34Å; F130-L224 HydrophobicContact CG-CB 4.16Å; F130-L224 HydrophobicContact CG-CD2 3.79Å; F130-L224 HydrophobicContact CZ-CB 3.85Å; V134-L224 HydrophobicContact CG2-CD1 4.43Å; V134-L224 HydrophobicContact CG2-CD2 3.65Å; V134-L224 HydrophobicContact CG2-CG 3.85Å; P136-L224 HydrophobicContact CB-CD1 3.95Å; P136-L224 HydrophobicContact CG-CD1 4.2Å; V139-L224 HydrophobicContact CG2-CD1 3.93Å; I204-L224 HydrophobicContact CD1-CD1 4.48Å; I204-L224 HydrophobicContact CG1-CD1 4.45Å; I204-L224 HydrophobicContact CG1-CD2 4.47Å
225	H	97.4	Very high	82.1	Confident	28 Å²	28	52.2 Å²	52.2	13%	0.13	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.8	168.6	-70.6	-120	0	0	0	108.8	E49 I50 V51 P136 T137 A138 H140	E49-H225 IonicContact OE1-CE1 2.88Å; E49-H225 IonicContact OE1-CG 2.62Å; E49-H225 IonicContact OE1-ND1 3.89Å; E49-H225 PolarHBondContact OE1-ND1 3.04Å; I50-H225 CarbonylContact O-C 3.48Å; I50-H225 WeakPolarHBondContact O-CA 3.49Å; V51-H225 WeakPolarHBondContact CG2-ND1 3.46Å; P136-H225 CarbonylContact C-O 3.54Å; P136-H225 WeakPolarHBondContact CA-O 3.31Å; T137-H225 PolarHBondContact N-O 3.13Å; T137-H225 VanDerWaalsContact OG1-C 3.25Å; T137-H225 WeakPolarHBondContact OG1-CB 3.43Å; T137-H225 PolarHBondContact OG1-O 3.17Å; A138-H225 HydrophobicContact CB-CB 4.02Å; A138-H225 PolarHBondContact N-O 3.49Å; A138-H225 PolarHBondContact O-N 3.23Å; H140-H225 AromaticContact CE1-CD2 3.68Å; H140-H225 AromaticContact CE1-CE1 3.7Å; H140-H225 AromaticContact CE1-NE2 3.2Å; H140-H225 PolarHBondContact CE1-NE2 3.26Å; H140-H225 AromaticContact ND1-CD2 3.82Å; H140-H225 AromaticContact ND1-NE2 3.32Å; H140-H225 PolarHBondContact ND1-NE2 2.82Å; H140-H225 AromaticContact NE2-NE2 4Å
226	G	95.6	Very high	79.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	-179	173.8	0	0	0	0	0	113.6	I50 Y135 T137	I50-G226 PolarHBondContact N-O 2.85Å; I50-G226 PolarHBondContact O-N 3.12Å; Y135-G226 CarbonylContact O-C 3.51Å; Y135-G226 WeakPolarHBondContact O-CA 3.43Å; T137-G226 WeakPolarHBondContact OG1-CA 3.36Å; T137-G226 PolarHBondContact OG1-N 2.63Å
227	V	94.8	Very high	76.8	Confident	12 Å²	12	66 Å²	66	7%	0.073	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.9	178.4	-68.8	0	0	0	0	110.2	N47 Y135 T137 E229 P231	N47-V227 HydrophobicContact CB-CB 4.25Å; N47-V227 HydrophobicContact CB-CG1 3.86Å; Y135-V227 WeakPolarHBondContact CD2-O 3.32Å; Y135-V227 PolarHBondContact N-O 3.1Å; Y135-V227 PolarHBondContact O-N 2.87Å; T137-V227 HydrophobicContact CG2-CG1 4.34Å; T137-V227 HydrophobicContact CG2-CG2 4.43Å; V227-E229 WeakPolarHBondContact CG2-O 3.27Å; V227-P231 HydrophobicContact CG2-CG 4Å
228	K	89.6	Confident	73.9	Confident	125 Å²	125	70.5 Å²	70.5	54%	0.543	36%	0.364	S	S	.	.	S	Bend	trans	-70.3	-38.3	178.1	-64.6	-156.3	176.8	-161.2	0	112.5	I50 E132 Y135	I50-K228 HydrophobicContact CD1-CD 4Å; I50-K228 HydrophobicContact CD1-CG 3.32Å; E132-K228 IonicContact OE1-NZ 2.87Å; E132-K228 PolarHBondContact OE1-NZ 3.45Å; E132-K228 WeakPolarHBondContact OE2-CE 3.36Å; E132-K228 IonicContact OE2-NZ 3.8Å; E132-K228 PolarHBondContact OE2-NZ 3.41Å; Y135-K228 WeakPolarHBondContact CE2-O 3.45Å
229	E	84.6	Confident	70.8	Confident	123 Å²	123	78.8 Å²	78.8	58%	0.575	41%	0.405	S	S	*	.	S	Bend	trans	-100.3	143.6	-178.4	-64.3	-173	-177.1	0	0	110.3	V227	V227-E229 WeakPolarHBondContact CG2-O 3.27Å
230	R	76.3	Confident	67.9	Low	139 Å²	139	85.9 Å²	85.9	53%	0.525	44%	0.442	S	S	.	.			trans	-58.7	131.3	178.7	-174	175.6	178.5	-175.5	-3	108.7	Y135 M232	Y135-R230 HydrophobicContact CD1-CB 4.38Å; Y135-R230 HydrophobicContact CD1-CG 4.36Å; Y135-R230 HydrophobicContact CE1-CB 3.92Å; Y135-R230 HydrophobicContact CE1-CG 4.03Å; Y135-R230 HydrophobicContact CE2-CB 4.11Å; R230-M232 PolarHBondContact O-N 3.43Å
231	P	62.8	Low	64.7	Low	49 Å²	49	92.5 Å²	92.5	32%	0.318	48%	0.477	S	S	.	.			trans	-60.9	102.8	167.6	-13.9	26	0	0	0	107.8	V227 L233	V227-P231 HydrophobicContact CG2-CG 4Å; P231-L233 VanDerWaalsContact C-N 3.3Å; P231-L233 PolarHBondContact O-N 2.56Å
232	M	57.2	Low	61.9	Low	175 Å²	175	100.6 Å²	100.6	86%	0.862	52%	0.517	S	S	*	.			trans	-67.3	97.3	168	-74.4	-69.3	-134.7	0	0	106	R230 S234	R230-M232 PolarHBondContact O-N 3.43Å; M232-S234 PolarHBondContact O-N 3.09Å
233	L	49.4	Very low	58.9	Low	156 Å²	156	106.9 Å²	106.9	82%	0.817	55%	0.55	S	S	*	*			trans	-57.4	111	160.4	-80.6	160.4	0	0	0	105.6	P231 L235	P231-L233 VanDerWaalsContact C-N 3.3Å; P231-L233 PolarHBondContact O-N 2.56Å; L233-L235 PolarHBondContact O-N 3Å
234	S	37.2	Very low	55.8	Low	101 Å²	101	114 Å²	114	71%	0.706	59%	0.588	S	S	*	*			trans	-59.2	98.2	166.2	63.9	0	0	0	0	106.3	M232 K236	M232-S234 PolarHBondContact O-N 3.09Å; S234-K236 PolarHBondContact O-N 2.87Å
235	L	37	Very low	52.6	Low	155 Å²	155	122 Å²	122	81%	0.812	63%	0.63	S	S	*	*			trans	-55.5	102.6	151.1	-84.7	145.3	0	0	0	103.8	L233 T237	L233-L235 PolarHBondContact O-N 3Å; L235-T237 PolarHBondContact O-N 2.87Å
236	K	32.2	Very low	49.4	Very low	195 Å²	195	128.1 Å²	128.1	85%	0.848	66%	0.663	S	S	*	*			trans	-61.6	89.1	155.6	-82.7	-174.1	176.4	-178.4	0	104.1	S234 S238	S234-K236 PolarHBondContact O-N 2.87Å; K236-S238 PolarHBondContact O-N 3.37Å
237	T	30.5	Very low	46.6	Very low	117 Å²	117	136.4 Å²	136.4	72%	0.718	70%	0.702	S	S	*	*			trans	-60.5	93.2	156.5	-41	0	0	0	0	103.5	L235 M239	L235-T237 PolarHBondContact O-N 2.87Å; T237-M239 PolarHBondContact O-N 2.77Å
238	S	29.2	Very low	43.4	Very low	96 Å²	96	144 Å²	144	67%	0.671	74%	0.742	S	S	*	*			trans	-58.6	100.7	156.1	48.3	0	0	0	0	104	K236 I240	K236-S238 PolarHBondContact O-N 3.37Å; S238-I240 VanDerWaalsContact C-N 3.31Å; S238-I240 PolarHBondContact O-N 3.46Å
239	M	29.3	Very low	40.6	Very low	175 Å²	175	146.8 Å²	146.8	86%	0.862	76%	0.757	S	S	*	*			trans	-53.2	107.9	160.9	-70.6	-174.2	170.7	0	0	104.7	T237 D241	T237-M239 PolarHBondContact O-N 2.77Å; M239-D241 VanDerWaalsContact C-N 3.3Å; M239-D241 PolarHBondContact O-N 3.28Å; M239-D241 VanDerWaalsContact O-N 3.12Å
240	I	33.5	Very low	37.9	Very low	151 Å²	151	149 Å²	149	77%	0.774	77%	0.773	S	S	*	*			trans	-68.9	105.7	160.9	-64.2	173.6	0	0	0	103	S238 M242	S238-I240 VanDerWaalsContact C-N 3.31Å; S238-I240 PolarHBondContact O-N 3.46Å; I240-M242 PolarHBondContact O-N 3.47Å; I240-M242 VanDerWaalsContact O-N 3.12Å
241	D	29	Very low	35.6	Very low	138 Å²	138	151.3 Å²	151.3	74%	0.738	79%	0.789	S	S	*	*			trans	-62.2	106.1	169.2	-146.5	-11.8	0	0	0	106.3	M239 N243	M239-D241 VanDerWaalsContact C-N 3.3Å; M239-D241 PolarHBondContact O-N 3.28Å; M239-D241 VanDerWaalsContact O-N 3.12Å; D241-N243 VanDerWaalsContact C-N 3.26Å; D241-N243 PolarHBondContact O-N 3.09Å
242	M	38.6	Very low	34	Very low	170 Å²	170	157.8 Å²	157.8	84%	0.837	82%	0.816	S	S	*	*			trans	-80.2	85.6	165.2	-88.7	-143.2	-74	0	0	106.2	I240	I240-M242 PolarHBondContact O-N 3.47Å; I240-M242 VanDerWaalsContact O-N 3.12Å
243	N	35.4	Very low	32.6	Very low	132 Å²	132	158.3 Å²	158.3	71%	0.706	81%	0.813	S	S	*	*			trans	-175.7	108	155.6	-83.1	-29.2	0	0	0	106.9	D241	D241-N243 VanDerWaalsContact C-N 3.26Å; D241-N243 PolarHBondContact O-N 3.09Å
244	D	34.2	Very low	31.6	Very low	157 Å²	157	162.6 Å²	162.6	84%	0.84	82%	0.82	S	S	*	*			trans	143	81.1	155.8	-77.4	-7.3	0	0	0	110
245	I	30.8	Very low	31.2	Very low	169 Å²	169	161.4 Å²	161.4	87%	0.867	82%	0.824	S	S	*	*			trans	-146.2	92.4	142.9	-55.8	-175.1	0	0	0	106.6
246	D	31.3	Very low	30.7	Very low	155 Å²	155	160.7 Å²	160.7	83%	0.829	83%	0.83	S	S	*	*			trans	-75.7	156.5	153.7	-89.1	-30.6	0	0	0	109.6
247	E	34.8	Very low	30.7	Very low	174 Å²	174	153.7 Å²	153.7	81%	0.813	81%	0.814	S	S	*	*			trans	-49.4	139.9	-175.9	-60	166.1	162.1	0	0	114.2
248	D	29.6	Very low	30.8	Very low	171 Å²	171	157.1 Å²	157.1	91%	0.914	82%	0.823	S	S	*	*			trans	-158.9	122.2	135.9	-92.3	-31.8	0	0	0	110
249	E	30.3	Very low	31	Very low	184 Å²	184	158.4 Å²	158.4	86%	0.86	82%	0.823	S	S	*	*			trans	-69.7	137.2	168.5	-64.5	177.5	147.2	0	0	109.4
250	D	28.2	Very low	31.3	Very low	170 Å²	170	155.2 Å²	155.2	91%	0.909	81%	0.813	S	S	*	*			trans	-162.9	126.3	136.5	-98	-29.4	0	0	0	111.2
251	E	28	Very low	31.4	Very low	187 Å²	187	154.9 Å²	154.9	87%	0.874	81%	0.813	S	S	*	*			trans	-68.9	140.8	175.4	-60.8	-178.4	138	0	0	111.2
252	E	27.7	Very low	31.7	Very low	186 Å²	186	155.1 Å²	155.1	87%	0.869	81%	0.814	S	S	*	*				-174.6	101.3	124.9	-101.8	-178	175.6	0	0	113
253	K	28.7	Very low	31.5	Very low	185 Å²	185	154.7 Å²	154.7	80%	0.804	81%	0.807	S	S	*	*				52.7	104.9	120.2	-130.8	176.2	-166.2	169.3	0	119.3
254	Y	27.8	Very low	31.6	Very low	246 Å²	246	155.9 Å²	155.9	97%	0.965	81%	0.809	S	S	*	*				-156.6	102.2	122.7	-92.5	-74.3	0	0	0	109.1
255	G	28.1	Very low	31.6	Very low	77 Å²	77	157 Å²	157	79%	0.794	81%	0.806	S	S	*	*			trans	-101.6	135	169.8	0	0	0	0	0	111.1
256	C	27.5	Very low	31.9	Very low	140 Å²	140	152.9 Å²	152.9	95%	0.946	79%	0.792	S	S	*	*			trans	167	127.6	144.8	-174.3	0	0	0	0	108.1
257	G	31.2	Very low	32.4	Very low	48 Å²	48	152.2 Å²	152.2	50%	0.495	79%	0.794	S	S	.	*			cis	-167.1	122	-2.1	0	0	0	0	0	107.6	D259	G257-D259 PolarHBondContact O-N 3.46Å
258	M	33.9	Very low	32.4	Very low	188 Å²	188	149 Å²	149	93%	0.926	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	31.5	178.5	-160.6	164.8	162.7	0	0	111.3
259	D	32.7	Very low	32.7	Very low	124 Å²	124	146.4 Å²	146.4	66%	0.663	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	4.8	-180	-86.2	-31.6	0	0	0	113.7	G257	G257-D259 PolarHBondContact O-N 3.46Å
260	T	35.8	Very low	33.1	Very low	107 Å²	107	144.5 Å²	144.5	66%	0.656	77%	0.771	S	S	*	*	S	Bend	trans	-109.3	2.9	-174.5	-5.3	0	0	0	0	115.3
261	L	36.3	Very low	33.8	Very low	145 Å²	145	146.5 Å²	146.5	76%	0.759	77%	0.766	S	S	*	*	S	Bend	trans	-109.3	-22.9	170.6	-76.8	165.1	0	0	0	113.1	K263	L261-K263 VanDerWaalsContact C-N 3.34Å
262	N	35.5	Very low	34.6	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-3.6	174.5	-81.6	-12.3	0	0	0	114.2
263	K	34.8	Very low	35.4	Very low	161 Å²	161	147.7 Å²	147.7	70%	0.7	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	0.9	175.9	-81.7	179.5	178.3	169.6	0	115	L261	L261-K263 VanDerWaalsContact C-N 3.34Å
264	Q	35.8	Very low	36.6	Very low	158 Å²	158	142.2 Å²	142.2	74%	0.738	75%	0.746	S	S	*	*	S	Bend	trans	-100.9	4.8	173.5	-86.7	-173.8	-10.2	0	0	114.7
265	F	35.4	Very low	38.4	Very low	181 Å²	181	137 Å²	137	79%	0.794	74%	0.74	S	S	*	*	S	Bend	trans	-120.3	5.6	171.5	-83.8	-79.1	0	0	0	114.4
266	S	37.3	Very low	40	Very low	81 Å²	81	136.7 Å²	136.7	57%	0.566	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	5.9	-175.6	41.9	0	0	0	0	115.5
267	V	40.7	Very low	42.1	Very low	142 Å²	142	131.9 Å²	131.9	86%	0.861	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140	55.2	166.9	-164.6	0	0	0	0	110.9
268	V	36.3	Very low	44.1	Very low	107 Å²	107	138.5 Å²	138.5	65%	0.648	71%	0.705	S	S	*	*	S	Bend	trans	-111.9	110.6	144.4	180	0	0	0	0	103.8	L270	V268-L270 PolarHBondContact O-N 2.58Å
269	T	35	Very low	46.2	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	68%	0.678	S	S	*	*			trans	-34.4	115	162.3	31.1	0	0	0	0	108.2	R271	T269-R271 PolarHBondContact O-N 2.69Å
270	L	39.1	Very low	48.2	Very low	145 Å²	145	130.5 Å²	130.5	76%	0.759	66%	0.663	S	S	*	*			trans	-58.9	81	167.6	-79.7	158.5	0	0	0	106.7	V268 E272 W273	V268-L270 PolarHBondContact O-N 2.58Å; L270-E272 PolarHBondContact O-N 3.28Å; L270-W273 HydrophobicContact CD2-CZ2 4.21Å
271	R	43	Very low	50.5	Low	212 Å²	212	132 Å²	132	80%	0.8	66%	0.66	S	S	*	*			trans	-59.5	118.6	159.7	-78.6	-172.3	176.4	-165.6	-0.7	103.8	T269 W273	T269-R271 PolarHBondContact O-N 2.69Å; R271-W273 VanDerWaalsContact O-CD1 3.26Å; R271-W273 PolarHBondContact O-N 2.82Å
272	E	44.4	Very low	53	Low	188 Å²	188	128 Å²	128	88%	0.879	64%	0.639	S	S	*	*			trans	-23.6	105.2	171.7	-66.5	174	151.5	0	0	110.4	L270 P274	L270-E272 PolarHBondContact O-N 3.28Å; E272-P274 WeakPolarHBondContact O-CD 3.44Å
273	W	45.3	Very low	55.6	Low	210 Å²	210	124.5 Å²	124.5	80%	0.795	62%	0.624	S	S	*	*			trans	-65.6	125.2	173.3	-71	-4	0	0	0	106.3	L270 R271 T275	L270-W273 HydrophobicContact CD2-CZ2 4.21Å; R271-W273 VanDerWaalsContact O-CD1 3.26Å; R271-W273 PolarHBondContact O-N 2.82Å; W273-T275 PolarHBondContact O-N 2.75Å
274	P	52.7	Low	58.3	Low	70 Å²	70	121.1 Å²	121.1	46%	0.455	61%	0.608	S	S	.	*			trans	-58.7	138.3	172.9	3.8	2	0	0	0	107.9	E272 N276 G277	E272-P274 WeakPolarHBondContact O-CD 3.44Å; P274-N276 PolarHBondContact O-N 3.48Å; P274-G277 PolarHBondContact O-N 2.79Å; P274-G277 VanDerWaalsContact O-N 3.13Å
275	T	65.7	Low	60.9	Low	136 Å²	136	119.9 Å²	119.9	83%	0.834	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-1.4	-166.5	42.8	0	0	0	0	115.4	W273	W273-T275 PolarHBondContact O-N 2.75Å
276	N	62	Low	63.6	Low	70 Å²	70	115.3 Å²	115.3	37%	0.374	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.7	21.1	172.4	-36.2	-72.2	0	0	0	115.8	P274 D280 L308	P274-N276 PolarHBondContact O-N 3.48Å; N276-D280 WeakPolarHBondContact CA-OD2 3.04Å; N276-D280 WeakPolarHBondContact CB-OD1 3.43Å; N276-D280 WeakPolarHBondContact CB-OD2 3.45Å; N276-D280 PolarHBondContact N-OD2 2.77Å; N276-D280 VanDerWaalsContact N-OD2 3.13Å; N276-D280 PolarHBondContact ND2-OD1 2.96Å; N276-D280 PolarHBondContact ND2-OD2 2.97Å; N276-D280 VanDerWaalsContact ND2-OD2 3.08Å; N276-L308 HydrophobicContact CB-CD2 3.93Å
277	G	71.7	Confident	66.2	Low	39 Å²	39	111.7 Å²	111.7	40%	0.402	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	74.1	-149.4	173.1	0	0	0	0	0	115.2	P274 F279	P274-G277 PolarHBondContact O-N 2.79Å; P274-G277 VanDerWaalsContact O-N 3.13Å; G277-F279 VanDerWaalsContact C-N 3.33Å; G277-F279 PolarHBondContact O-N 2.78Å
278	Y	73.1	Confident	68.6	Low	188 Å²	188	105.7 Å²	105.7	74%	0.737	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-76.5	-14.6	-177.1	-70.2	-81.6	0	0	0	114.3	D280 K281	Y278-D280 VanDerWaalsContact C-N 3.29Å; Y278-D280 PolarHBondContact O-N 3.31Å; Y278-K281 HydrophobicContact CD1-CD 4.09Å; Y278-K281 WeakPolarHBondContact O-CB 3.35Å; Y278-K281 PolarHBondContact O-N 3.21Å; Y278-K281 VanDerWaalsContact O-N 3.1Å
279	F	77.4	Confident	71.2	Confident	79 Å²	79	105.3 Å²	105.3	35%	0.346	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-66.1	-31.8	177.5	-95.7	-89.7	0	0	0	112.3	G277 K281 L282 I287 L308 L309	G277-F279 VanDerWaalsContact C-N 3.33Å; G277-F279 PolarHBondContact O-N 2.78Å; F279-K281 PolarHBondContact O-N 2.94Å; F279-K281 VanDerWaalsContact O-N 3.14Å; F279-L282 HydrophobicContact CD1-CD1 4.08Å; F279-L282 HydrophobicContact CE1-CD1 4.25Å; F279-L282 PolarHBondContact O-N 2.99Å; F279-L282 VanDerWaalsContact O-N 3.15Å; F279-I287 HydrophobicContact CD1-CG1 4.37Å; F279-L308 HydrophobicContact CB-CD2 4.29Å; F279-L309 HydrophobicContact CD1-CD2 4.23Å; F279-L309 HydrophobicContact CE1-CD2 4.28Å
280	D	75.9	Confident	73.9	Confident	64 Å²	64	103.7 Å²	103.7	34%	0.342	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.5	173.2	-73.7	-28.4	0	0	0	113	N276 Y278 L308	N276-D280 WeakPolarHBondContact CA-OD2 3.04Å; N276-D280 WeakPolarHBondContact CB-OD1 3.43Å; N276-D280 WeakPolarHBondContact CB-OD2 3.45Å; N276-D280 PolarHBondContact N-OD2 2.77Å; N276-D280 VanDerWaalsContact N-OD2 3.13Å; N276-D280 PolarHBondContact ND2-OD1 2.96Å; N276-D280 PolarHBondContact ND2-OD2 2.97Å; N276-D280 VanDerWaalsContact ND2-OD2 3.08Å; Y278-D280 VanDerWaalsContact C-N 3.29Å; Y278-D280 PolarHBondContact O-N 3.31Å; D280-L308 WeakPolarHBondContact OD1-CD2 3.46Å
281	K	83.4	Confident	76.5	Confident	140 Å²	140	96.9 Å²	96.9	61%	0.609	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-91	-12.9	-179.7	-59.1	-174.7	-179	175.9	0	113.2	Y278 F279	Y278-K281 HydrophobicContact CD1-CD 4.09Å; Y278-K281 WeakPolarHBondContact O-CB 3.35Å; Y278-K281 PolarHBondContact O-N 3.21Å; Y278-K281 VanDerWaalsContact O-N 3.1Å; F279-K281 PolarHBondContact O-N 2.94Å; F279-K281 VanDerWaalsContact O-N 3.14Å
282	L	88.2	Confident	78.7	Confident	60 Å²	60	88.7 Å²	88.7	31%	0.314	44%	0.442	S	S	.	.	S	Bend	trans	-81.7	134.9	-180	-64.8	176.7	0	0	0	109.4	F279 I287 I290	F279-L282 HydrophobicContact CD1-CD1 4.08Å; F279-L282 HydrophobicContact CE1-CD1 4.25Å; F279-L282 PolarHBondContact O-N 2.99Å; F279-L282 VanDerWaalsContact O-N 3.15Å; L282-I287 HydrophobicContact CB-CD1 4.17Å; L282-I287 HydrophobicContact CB-CG1 3.72Å; L282-I287 HydrophobicContact CD1-CG1 4.37Å; L282-I290 HydrophobicContact CD1-CD1 3.83Å
283	P	91.4	Very high	80.9	Confident	68 Å²	68	86.9 Å²	86.9	44%	0.442	43%	0.433	S	S	.	.			trans	-53.2	146.3	166.6	-24.7	33.2	0	0	0	111.2	E285 L286 I287	P283-E285 WeakPolarHBondContact CB-OE2 3.39Å; P283-E285 PolarHBondContact O-N 3.36Å; P283-L286 HydrophobicContact CB-CG 4.44Å; P283-L286 HydrophobicContact CG-CD1 4.3Å; P283-L286 HydrophobicContact CG-CG 4.4Å; P283-L286 PolarHBondContact O-N 2.84Å; P283-I287 PolarHBondContact O-N 2.97Å; P283-I287 VanDerWaalsContact O-N 3.15Å
284	Y	90.1	Very high	83.2	Confident	91 Å²	91	79.2 Å²	79.2	36%	0.357	41%	0.407	S	S	.	.	H	α-helix	trans	-52.2	-42.6	-179	171.1	-87.4	0	0	0	111.4	L286 I287 Q288 H312 D315	Y284-L286 VanDerWaalsContact C-N 3.33Å; Y284-L286 PolarHBondContact O-N 3.26Å; Y284-I287 PolarHBondContact O-N 2.67Å; Y284-I287 VanDerWaalsContact O-N 3.17Å; Y284-Q288 HydrophobicContact CD1-CG 3.93Å; Y284-Q288 HydrophobicContact CE1-CG 3.47Å; Y284-Q288 VanDerWaalsContact CE1-CG 3.47Å; Y284-Q288 HydrophobicContact CE2-CG 4.2Å; Y284-Q288 HydrophobicContact CG-CG 4.46Å; Y284-Q288 WeakPolarHBondContact O-CG 3.2Å; Y284-Q288 PolarHBondContact O-N 3.21Å; Y284-Q288 PolarHBondContact OH-NE2 3.5Å; Y284-H312 AromaticContact CD2-CE1 3.47Å; Y284-H312 VanDerWaalsContact CD2-CE1 3.47Å; Y284-H312 WeakPolarHBondContact CD2-CE1 3.22Å; Y284-H312 AromaticContact CD2-ND1 3.82Å; Y284-H312 AromaticContact CE2-CE1 3.9Å; Y284-H312 AromaticContact CE2-ND1 3.81Å; Y284-D315 VanDerWaalsContact OH-CG 3.26Å; Y284-D315 PolarHBondContact OH-OD2 3.17Å
285	E	91.4	Very high	85.1	Confident	132 Å²	132	77 Å²	77	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-62.7	-37.7	-179.6	-57.8	79.8	-177	0	0	112.4	P283 Q288 L289	P283-E285 WeakPolarHBondContact CB-OE2 3.39Å; P283-E285 PolarHBondContact O-N 3.36Å; E285-Q288 PolarHBondContact O-N 2.97Å; E285-L289 WeakPolarHBondContact O-CB 3.45Å; E285-L289 PolarHBondContact O-N 2.81Å
286	L	91.7	Very high	86.4	Confident	84 Å²	84	71 Å²	71	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-70.1	-37.4	176.5	-68.5	-167.9	0	0	0	111.3	P283 Y284 L289 I290	P283-L286 HydrophobicContact CB-CG 4.44Å; P283-L286 HydrophobicContact CG-CD1 4.3Å; P283-L286 HydrophobicContact CG-CG 4.4Å; P283-L286 PolarHBondContact O-N 2.84Å; Y284-L286 VanDerWaalsContact C-N 3.33Å; Y284-L286 PolarHBondContact O-N 3.26Å; L286-L289 HydrophobicContact CD2-CD2 4.47Å; L286-L289 PolarHBondContact O-N 3.24Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 2.92Å
287	I	91.1	Very high	87.9	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-62.9	-48.7	174	-58.9	172.8	0	0	0	109.4	F279 L282 P283 Y284 L289 I290 L291 H312	F279-I287 HydrophobicContact CD1-CG1 4.37Å; L282-I287 HydrophobicContact CB-CD1 4.17Å; L282-I287 HydrophobicContact CB-CG1 3.72Å; L282-I287 HydrophobicContact CD1-CG1 4.37Å; P283-I287 PolarHBondContact O-N 2.97Å; P283-I287 VanDerWaalsContact O-N 3.15Å; Y284-I287 PolarHBondContact O-N 2.67Å; Y284-I287 VanDerWaalsContact O-N 3.17Å; I287-L289 VanDerWaalsContact C-N 3.25Å; I287-L289 PolarHBondContact O-N 3.2Å; I287-I290 PolarHBondContact O-N 3.41Å; I287-L291 HydrophobicContact CG2-CD1 4.07Å; I287-L291 HydrophobicContact CG2-CG 4.28Å; I287-L291 WeakPolarHBondContact O-CB 3.36Å; I287-L291 VanDerWaalsContact O-CG 3.27Å; I287-L291 WeakPolarHBondContact O-CG 3.41Å; I287-L291 PolarHBondContact O-N 2.94Å; I287-H312 HydrophobicContact CG2-CB 4.1Å
288	Q	91.3	Very high	88.9	Confident	17 Å²	17	70.3 Å²	70.3	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-35.8	177.7	-63.1	-54.2	-26.4	0	0	112.2	Y284 E285 S292 H312 Q318	Y284-Q288 HydrophobicContact CD1-CG 3.93Å; Y284-Q288 HydrophobicContact CE1-CG 3.47Å; Y284-Q288 VanDerWaalsContact CE1-CG 3.47Å; Y284-Q288 HydrophobicContact CE2-CG 4.2Å; Y284-Q288 HydrophobicContact CG-CG 4.46Å; Y284-Q288 WeakPolarHBondContact O-CG 3.2Å; Y284-Q288 PolarHBondContact O-N 3.21Å; Y284-Q288 PolarHBondContact OH-NE2 3.5Å; E285-Q288 PolarHBondContact O-N 2.97Å; Q288-S292 WeakPolarHBondContact O-CB 3.36Å; Q288-S292 PolarHBondContact O-N 2.85Å; Q288-H312 PolarHBondContact NE2-ND1 2.85Å; Q288-Q318 PolarHBondContact O-NE2 3.14Å; Q288-Q318 VanDerWaalsContact O-NE2 3.13Å; Q288-Q318 VanDerWaalsContact OE1-CG 3.32Å
289	L	91.9	Very high	89.9	Confident	99 Å²	99	61.4 Å²	61.4	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-47.1	174.8	-179.5	63.7	0	0	0	111.9	E285 L286 I287 L291 S292 H293	E285-L289 WeakPolarHBondContact O-CB 3.45Å; E285-L289 PolarHBondContact O-N 2.81Å; L286-L289 HydrophobicContact CD2-CD2 4.47Å; L286-L289 PolarHBondContact O-N 3.24Å; I287-L289 VanDerWaalsContact C-N 3.25Å; I287-L289 PolarHBondContact O-N 3.2Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 2.87Å; L289-S292 VanDerWaalsContact O-CB 3.29Å; L289-S292 WeakPolarHBondContact O-CB 3.43Å; L289-S292 PolarHBondContact O-N 3.1Å; L289-S292 PolarHBondContact O-OG 3.13Å; L289-H293 PolarHBondContact O-CD2 2.69Å; L289-H293 VanDerWaalsContact O-CD2 3.27Å
290	I	91.7	Very high	90.6	Very high	80 Å²	80	59.4 Å²	59.4	41%	0.41	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-49.3	176.1	-69.5	162.8	0	0	0	109.7	L282 L286 I287 S292 H293	L282-I290 HydrophobicContact CD1-CD1 3.83Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 2.92Å; I287-I290 PolarHBondContact O-N 3.41Å; I290-S292 PolarHBondContact O-N 3.42Å; I290-H293 PolarHBondContact O-N 3.07Å
291	L	92.2	Very high	91.5	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-29.2	178.1	-65.2	-176.3	0	0	0	111.9	R115 I287 L289 H293 L294 L299 L302 H312	R115-L291 PolarHBondContact NH1-O 3.39Å; I287-L291 HydrophobicContact CG2-CD1 4.07Å; I287-L291 HydrophobicContact CG2-CG 4.28Å; I287-L291 WeakPolarHBondContact O-CB 3.36Å; I287-L291 VanDerWaalsContact O-CG 3.27Å; I287-L291 WeakPolarHBondContact O-CG 3.41Å; I287-L291 PolarHBondContact O-N 2.94Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 2.87Å; L291-H293 PolarHBondContact O-N 2.84Å; L291-H293 VanDerWaalsContact O-N 3.09Å; L291-L294 HydrophobicContact CD2-CD1 3.77Å; L291-L294 WeakPolarHBondContact O-CB 3.27Å; L291-L294 PolarHBondContact O-N 3.39Å; L291-L299 HydrophobicContact CB-CD2 4.12Å; L291-L299 HydrophobicContact CD2-CD2 4.25Å; L291-L302 HydrophobicContact CD2-CD2 3.31Å; L291-H312 HydrophobicContact CD1-CB 3.48Å; L291-H312 VanDerWaalsContact CD1-CB 3.48Å
292	S	90.8	Very high	92	Very high	41 Å²	41	58.7 Å²	58.7	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-22.6	-179.7	84.4	0	0	0	0	115.2	R115 Q288 L289 I290	R115-S292 PolarHBondContact NH1-O 3.43Å; Q288-S292 WeakPolarHBondContact O-CB 3.36Å; Q288-S292 PolarHBondContact O-N 2.85Å; L289-S292 VanDerWaalsContact O-CB 3.29Å; L289-S292 WeakPolarHBondContact O-CB 3.43Å; L289-S292 PolarHBondContact O-N 3.1Å; L289-S292 PolarHBondContact O-OG 3.13Å; I290-S292 PolarHBondContact O-N 3.42Å
293	H	90.9	Very high	92.3	Very high	149 Å²	149	56.1 Å²	56.1	69%	0.69	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-11.4	177.6	-66	-72.7	0	0	0	113.8	L289 I290 L291	L289-H293 PolarHBondContact O-CD2 2.69Å; L289-H293 VanDerWaalsContact O-CD2 3.27Å; I290-H293 PolarHBondContact O-N 3.07Å; L291-H293 PolarHBondContact O-N 2.84Å; L291-H293 VanDerWaalsContact O-N 3.09Å
294	L	92.4	Very high	92.4	Very high	50 Å²	50	60.4 Å²	60.4	26%	0.262	30%	0.299	S	S	.	.	S	Bend	trans	-82.3	143.4	-178.9	-59.9	-179.2	0	0	0	111.7	R115 L291 D298 L299 L302	R115-L294 PolarHBondContact NH1-O 3.03Å; L291-L294 HydrophobicContact CD2-CD1 3.77Å; L291-L294 WeakPolarHBondContact O-CB 3.27Å; L291-L294 PolarHBondContact O-N 3.39Å; L294-D298 HydrophobicContact CB-CB 4.01Å; L294-D298 HydrophobicContact CD2-CB 4.37Å; L294-L299 HydrophobicContact CB-CD2 3.91Å; L294-L299 HydrophobicContact CB-CG 4.03Å; L294-L299 HydrophobicContact CD1-CD2 4.06Å; L294-L302 HydrophobicContact CD1-CD2 3.58Å
295	T	93.3	Very high	92.5	Very high	22 Å²	22	60.3 Å²	60.3	14%	0.135	31%	0.308	C	S	.	.			trans	-70.5	161.7	172	72.8	0	0	0	0	110.9	P117 P297 D298 L299 Y327	P117-T295 HydrophobicContact CB-CG2 4.25Å; P117-T295 HydrophobicContact CG-CG2 4.1Å; T295-P297 WeakPolarHBondContact OG1-CD 3.36Å; T295-D298 WeakPolarHBondContact O-CB 3.39Å; T295-D298 PolarHBondContact O-N 2.95Å; T295-D298 VanDerWaalsContact O-N 3.08Å; T295-D298 VanDerWaalsContact OG1-CG 3.22Å; T295-D298 PolarHBondContact OG1-N 3.13Å; T295-D298 PolarHBondContact OG1-OD2 3.48Å; T295-L299 PolarHBondContact O-N 3.19Å; T295-Y327 WeakPolarHBondContact CB-OH 3.41Å
296	V	92.3	Very high	92.4	Very high	12 Å²	12	56.4 Å²	56.4	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-44.9	178.6	177.9	0	0	0	0	112	D298 L299 C300 L322 Y327 L339	V296-D298 VanDerWaalsContact C-N 3.34Å; V296-D298 PolarHBondContact O-N 2.96Å; V296-L299 PolarHBondContact O-N 2.9Å; V296-C300 PolarHBondContact O-N 2.88Å; V296-C300 PolarHBondContact O-SG 2.93Å; V296-C300 VanDerWaalsContact O-SG 3.36Å; V296-L322 HydrophobicContact CG2-CD1 3.79Å; V296-Y327 HydrophobicContact CB-CE2 4.14Å; V296-Y327 HydrophobicContact CG2-CE2 4.39Å; V296-L339 HydrophobicContact CG1-CD2 4.39Å
297	P	92.8	Very high	92.3	Very high	40 Å²	40	60.9 Å²	60.9	26%	0.26	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-37.4	173.2	-26.1	35.7	0	0	0	114.1	T295 C300 R301 Y327	T295-P297 WeakPolarHBondContact OG1-CD 3.36Å; P297-C300 PolarHBondContact O-N 3.5Å; P297-R301 WeakPolarHBondContact O-CG 3.24Å; P297-R301 PolarHBondContact O-N 3.16Å; P297-Y327 VanDerWaalsContact CD-OH 3.29Å; P297-Y327 WeakPolarHBondContact CD-OH 3.26Å; P297-Y327 HydrophobicContact CG-CD1 4.02Å; P297-Y327 HydrophobicContact CG-CE1 3.48Å; P297-Y327 VanDerWaalsContact CG-CE1 3.48Å
298	D	94.1	Very high	92.2	Very high	54 Å²	54	61.9 Å²	61.9	29%	0.289	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.8	-69.2	-45.2	0	0	0	111.7	L294 T295 V296 C300 R301 L302	L294-D298 HydrophobicContact CB-CB 4.01Å; L294-D298 HydrophobicContact CD2-CB 4.37Å; T295-D298 WeakPolarHBondContact O-CB 3.39Å; T295-D298 PolarHBondContact O-N 2.95Å; T295-D298 VanDerWaalsContact O-N 3.08Å; T295-D298 VanDerWaalsContact OG1-CG 3.22Å; T295-D298 PolarHBondContact OG1-N 3.13Å; T295-D298 PolarHBondContact OG1-OD2 3.48Å; V296-D298 VanDerWaalsContact C-N 3.34Å; V296-D298 PolarHBondContact O-N 2.96Å; D298-C300 VanDerWaalsContact C-N 3.32Å; D298-C300 PolarHBondContact O-N 3.27Å; D298-R301 PolarHBondContact O-N 2.96Å; D298-R301 IonicContact OD1-CZ 2.93Å; D298-R301 IonicContact OD1-NE 3.97Å; D298-R301 IonicContact OD1-NH2 2.63Å; D298-R301 PolarHBondContact OD1-NH2 3.36Å; D298-L302 WeakPolarHBondContact O-CB 3.45Å; D298-L302 PolarHBondContact O-N 3.01Å
299	L	93.8	Very high	92.2	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-44.5	173.3	-71.3	176.2	0	0	0	111.4	L291 L294 T295 V296 R301 L302 A303 C313	L291-L299 HydrophobicContact CB-CD2 4.12Å; L291-L299 HydrophobicContact CD2-CD2 4.25Å; L294-L299 HydrophobicContact CB-CD2 3.91Å; L294-L299 HydrophobicContact CB-CG 4.03Å; L294-L299 HydrophobicContact CD1-CD2 4.06Å; T295-L299 PolarHBondContact O-N 3.19Å; V296-L299 PolarHBondContact O-N 2.9Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 3.12Å; L299-L302 PolarHBondContact O-N 3.19Å; L299-A303 VanDerWaalsContact O-CB 3.31Å; L299-A303 WeakPolarHBondContact O-CB 3.22Å; L299-A303 PolarHBondContact O-N 3.1Å; L299-C313 HydrophobicContact CD2-CB 4.46Å
300	C	92.5	Very high	92.2	Very high	38 Å²	38	63.2 Å²	63.2	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-35.2	177.5	-71.2	0	0	0	0	112.7	V296 P297 D298 Q304 R342	V296-C300 PolarHBondContact O-N 2.88Å; V296-C300 PolarHBondContact O-SG 2.93Å; V296-C300 VanDerWaalsContact O-SG 3.36Å; P297-C300 PolarHBondContact O-N 3.5Å; D298-C300 VanDerWaalsContact C-N 3.32Å; D298-C300 PolarHBondContact O-N 3.27Å; C300-Q304 WeakPolarHBondContact O-CG 3.38Å; C300-Q304 PolarHBondContact O-NE2 2.94Å; C300-R342 PolarHBondContact SG-NH1 3.37Å
301	R	94.8	Very high	92.2	Very high	142 Å²	142	65.6 Å²	65.6	54%	0.536	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-45.7	173.2	-76.3	-173.9	-75.5	-92.9	8.6	111.6	P297 D298 L299 A303 Q304	P297-R301 WeakPolarHBondContact O-CG 3.24Å; P297-R301 PolarHBondContact O-N 3.16Å; D298-R301 PolarHBondContact O-N 2.96Å; D298-R301 IonicContact OD1-CZ 2.93Å; D298-R301 IonicContact OD1-NE 3.97Å; D298-R301 IonicContact OD1-NH2 2.63Å; D298-R301 PolarHBondContact OD1-NH2 3.36Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 3.12Å; R301-A303 VanDerWaalsContact C-N 3.29Å; R301-A303 PolarHBondContact O-N 3.3Å; R301-Q304 WeakPolarHBondContact O-CB 3.24Å; R301-Q304 PolarHBondContact O-N 3.49Å
302	L	94.1	Very high	92.2	Very high	46 Å²	46	66.4 Å²	66.4	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-37.3	-179	-171.3	62.9	0	0	0	111.8	L291 L294 D298 L299 Q304 T305 L309	L291-L302 HydrophobicContact CD2-CD2 3.31Å; L294-L302 HydrophobicContact CD1-CD2 3.58Å; D298-L302 WeakPolarHBondContact O-CB 3.45Å; D298-L302 PolarHBondContact O-N 3.01Å; L299-L302 PolarHBondContact O-N 3.19Å; L302-Q304 PolarHBondContact O-N 2.98Å; L302-Q304 VanDerWaalsContact O-N 3.1Å; L302-T305 HydrophobicContact CD1-CG2 4.31Å; L302-T305 WeakPolarHBondContact O-CB 3.45Å; L302-T305 WeakPolarHBondContact O-CG2 3.35Å; L302-T305 PolarHBondContact O-N 3.05Å; L302-T305 PolarHBondContact O-OG1 3.08Å; L302-L309 HydrophobicContact CD1-CD1 3.77Å; L302-L309 HydrophobicContact CD2-CD2 4.43Å; L302-L309 HydrophobicContact CG-CB 4.35Å; L302-L309 HydrophobicContact CG-CD1 4.15Å
303	A	93.1	Very high	92.4	Very high	6 Å²	6	64.4 Å²	64.4	5%	0.05	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.9	174.6	0	0	0	0	0	113.5	L299 R301 T305 Y310 C313	L299-A303 VanDerWaalsContact O-CB 3.31Å; L299-A303 WeakPolarHBondContact O-CB 3.22Å; L299-A303 PolarHBondContact O-N 3.1Å; R301-A303 VanDerWaalsContact C-N 3.29Å; R301-A303 PolarHBondContact O-N 3.3Å; A303-T305 VanDerWaalsContact C-N 3.33Å; A303-Y310 HydrophobicContact CB-CD2 4.15Å; A303-Y310 WeakPolarHBondContact O-CB 3.34Å; A303-Y310 WeakPolarHBondContact O-CD2 3.34Å; A303-C313 HydrophobicContact CB-CB 3.78Å
304	Q	93.8	Very high	92.5	Very high	159 Å²	159	58.2 Å²	58.2	74%	0.743	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.6	179.6	-65.5	169.5	63.4	0	0	113.3	C300 R301 L302	C300-Q304 WeakPolarHBondContact O-CG 3.38Å; C300-Q304 PolarHBondContact O-NE2 2.94Å; R301-Q304 WeakPolarHBondContact O-CB 3.24Å; R301-Q304 PolarHBondContact O-N 3.49Å; L302-Q304 PolarHBondContact O-N 2.98Å; L302-Q304 VanDerWaalsContact O-N 3.1Å
305	T	92.7	Very high	92.6	Very high	89 Å²	89	57.3 Å²	57.3	55%	0.546	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-48.3	-173.5	61.8	0	0	0	0	113.2	L302 A303 L309	L302-T305 HydrophobicContact CD1-CG2 4.31Å; L302-T305 WeakPolarHBondContact O-CB 3.45Å; L302-T305 WeakPolarHBondContact O-CG2 3.35Å; L302-T305 PolarHBondContact O-N 3.05Å; L302-T305 PolarHBondContact O-OG1 3.08Å; A303-T305 VanDerWaalsContact C-N 3.33Å; T305-L309 WeakPolarHBondContact OG1-CD1 3.26Å
306	C	89.2	Confident	92.6	Very high	49 Å²	49	57.7 Å²	57.7	33%	0.331	29%	0.286	S	S	.	.			trans	-154.2	164.3	178.6	76.7	0	0	0	0	112	L308 L309 Y310	C306-L308 VanDerWaalsContact C-N 3.35Å; C306-L308 PolarHBondContact O-N 2.83Å; C306-L309 PolarHBondContact O-N 3.33Å; C306-L309 PolarHBondContact SG-N 3.28Å; C306-L309 VanDerWaalsContact SG-N 3.41Å; C306-Y310 WeakPolarHBondContact O-CB 3.27Å; C306-Y310 PolarHBondContact O-N 2.91Å
307	K	90.2	Very high	92.6	Very high	178 Å²	178	61.1 Å²	61.1	77%	0.774	30%	0.304	S	S	*	.	H	α-helix	trans	-61.8	-38.6	-177.9	-68	-177.8	179.8	177.8	0	113.2	Y310 Q311	K307-Y310 WeakPolarHBondContact O-CB 3.41Å; K307-Y310 PolarHBondContact O-N 3.02Å; K307-Q311 WeakPolarHBondContact O-CG 3.45Å; K307-Q311 PolarHBondContact O-N 2.96Å; K307-Q311 VanDerWaalsContact O-N 3.13Å
308	L	88.9	Confident	92.5	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-53.6	178.2	178.2	68.6	0	0	0	110.7	N276 F279 D280 C306 Y310 Q311 H312	N276-L308 HydrophobicContact CB-CD2 3.93Å; F279-L308 HydrophobicContact CB-CD2 4.29Å; D280-L308 WeakPolarHBondContact OD1-CD2 3.46Å; C306-L308 VanDerWaalsContact C-N 3.35Å; C306-L308 PolarHBondContact O-N 2.83Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.27Å; L308-Q311 WeakPolarHBondContact O-CB 3.46Å; L308-Q311 PolarHBondContact O-N 2.76Å; L308-Q311 VanDerWaalsContact O-N 3.12Å; L308-H312 PolarHBondContact O-CD2 3.26Å; L308-H312 VanDerWaalsContact O-CD2 3.27Å; L308-H312 PolarHBondContact O-N 3.24Å; L308-H312 VanDerWaalsContact O-N 3.16Å
309	L	90.6	Very high	92.5	Very high	18 Å²	18	57.3 Å²	57.3	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-31.2	-179.8	-69	171.6	0	0	0	112.1	F279 L302 T305 C306 Q311 H312 C313	F279-L309 HydrophobicContact CD1-CD2 4.23Å; F279-L309 HydrophobicContact CE1-CD2 4.28Å; L302-L309 HydrophobicContact CD1-CD1 3.77Å; L302-L309 HydrophobicContact CD2-CD2 4.43Å; L302-L309 HydrophobicContact CG-CB 4.35Å; L302-L309 HydrophobicContact CG-CD1 4.15Å; T305-L309 WeakPolarHBondContact OG1-CD1 3.26Å; C306-L309 PolarHBondContact O-N 3.33Å; C306-L309 PolarHBondContact SG-N 3.28Å; C306-L309 VanDerWaalsContact SG-N 3.41Å; L309-Q311 VanDerWaalsContact C-N 3.33Å; L309-Q311 PolarHBondContact O-N 3.15Å; L309-H312 PolarHBondContact O-N 2.91Å; L309-C313 WeakPolarHBondContact O-CB 3.16Å; L309-C313 PolarHBondContact O-N 2.99Å; L309-C313 PolarHBondContact O-SG 3.41Å
310	Y	92.6	Very high	92.5	Very high	125 Å²	125	59.6 Å²	59.6	49%	0.49	29%	0.292	S	S	.	.	H	α-helix	trans	-55.7	-47.8	169.2	177.5	-92.3	0	0	0	111.6	A303 C306 K307 L308 C314	A303-Y310 HydrophobicContact CB-CD2 4.15Å; A303-Y310 WeakPolarHBondContact O-CB 3.34Å; A303-Y310 WeakPolarHBondContact O-CD2 3.34Å; C306-Y310 WeakPolarHBondContact O-CB 3.27Å; C306-Y310 PolarHBondContact O-N 2.91Å; K307-Y310 WeakPolarHBondContact O-CB 3.41Å; K307-Y310 PolarHBondContact O-N 3.02Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.27Å; Y310-C314 VanDerWaalsContact O-CB 3.27Å; Y310-C314 WeakPolarHBondContact O-CB 3.5Å; Y310-C314 PolarHBondContact O-N 3.33Å; Y310-C314 PolarHBondContact O-SG 2.78Å
311	Q	91.7	Very high	92.6	Very high	130 Å²	130	59.3 Å²	59.3	61%	0.607	29%	0.287	S	S	*	.	H	α-helix	trans	-62.2	-48.2	179.5	-71.7	173.1	-19.3	0	0	111.5	K307 L308 L309 C314 D315	K307-Q311 WeakPolarHBondContact O-CG 3.45Å; K307-Q311 PolarHBondContact O-N 2.96Å; K307-Q311 VanDerWaalsContact O-N 3.13Å; L308-Q311 WeakPolarHBondContact O-CB 3.46Å; L308-Q311 PolarHBondContact O-N 2.76Å; L308-Q311 VanDerWaalsContact O-N 3.12Å; L309-Q311 VanDerWaalsContact C-N 3.33Å; L309-Q311 PolarHBondContact O-N 3.15Å; Q311-C314 PolarHBondContact O-N 3.28Å; Q311-D315 PolarHBondContact O-N 3.19Å
312	H	92.4	Very high	92.7	Very high	19 Å²	19	52.7 Å²	52.7	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-38.9	179.7	-71.9	-80.2	0	0	0	113.4	Y284 I287 Q288 L291 L308 L309 C314 D315	Y284-H312 AromaticContact CD2-CE1 3.47Å; Y284-H312 VanDerWaalsContact CD2-CE1 3.47Å; Y284-H312 WeakPolarHBondContact CD2-CE1 3.22Å; Y284-H312 AromaticContact CD2-ND1 3.82Å; Y284-H312 AromaticContact CE2-CE1 3.9Å; Y284-H312 AromaticContact CE2-ND1 3.81Å; I287-H312 HydrophobicContact CG2-CB 4.1Å; Q288-H312 PolarHBondContact NE2-ND1 2.85Å; L291-H312 HydrophobicContact CD1-CB 3.48Å; L291-H312 VanDerWaalsContact CD1-CB 3.48Å; L308-H312 PolarHBondContact O-CD2 3.26Å; L308-H312 VanDerWaalsContact O-CD2 3.27Å; L308-H312 PolarHBondContact O-N 3.24Å; L308-H312 VanDerWaalsContact O-N 3.16Å; L309-H312 PolarHBondContact O-N 2.91Å; H312-C314 VanDerWaalsContact C-N 3.31Å; H312-C314 PolarHBondContact O-N 3.38Å; H312-D315 VanDerWaalsContact O-CB 3.22Å; H312-D315 WeakPolarHBondContact O-CB 3.39Å; H312-D315 PolarHBondContact O-N 3.43Å
313	C	93.8	Very high	92.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-26.7	178.1	-67.1	0	0	0	0	112.5	L299 A303 L309 D315 Y319	L299-C313 HydrophobicContact CD2-CB 4.46Å; A303-C313 HydrophobicContact CB-CB 3.78Å; L309-C313 WeakPolarHBondContact O-CB 3.16Å; L309-C313 PolarHBondContact O-N 2.99Å; L309-C313 PolarHBondContact O-SG 3.41Å; C313-D315 VanDerWaalsContact C-N 3.31Å; C313-Y319 WeakPolarHBondContact O-CE2 3.28Å; C313-Y319 PolarHBondContact O-OH 3.29Å; C313-Y319 VanDerWaalsContact O-OH 3.12Å
314	C	93.3	Very high	92.8	Very high	18 Å²	18	50.6 Å²	50.6	12%	0.122	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.2	175.6	-64.6	0	0	0	0	113.3	Y310 Q311 H312 R342	Y310-C314 VanDerWaalsContact O-CB 3.27Å; Y310-C314 WeakPolarHBondContact O-CB 3.5Å; Y310-C314 PolarHBondContact O-N 3.33Å; Y310-C314 PolarHBondContact O-SG 2.78Å; Q311-C314 PolarHBondContact O-N 3.28Å; H312-C314 VanDerWaalsContact C-N 3.31Å; H312-C314 PolarHBondContact O-N 3.38Å; C314-R342 HydrophobicContact CB-CG 4.12Å; C314-R342 PolarHBondContact SG-NE 2.82Å; C314-R342 VanDerWaalsContact SG-NE 3.41Å
315	D	94	Very high	92.9	Very high	31 Å²	31	44.5 Å²	44.5	17%	0.166	22%	0.222	C	C	.	.			trans	-65.6	125.8	-178.1	-164.2	-56.8	0	0	0	111.3	Y284 Q311 H312 C313 L317 Q318 Y319	Y284-D315 VanDerWaalsContact OH-CG 3.26Å; Y284-D315 PolarHBondContact OH-OD2 3.17Å; Q311-D315 PolarHBondContact O-N 3.19Å; H312-D315 VanDerWaalsContact O-CB 3.22Å; H312-D315 WeakPolarHBondContact O-CB 3.39Å; H312-D315 PolarHBondContact O-N 3.43Å; C313-D315 VanDerWaalsContact C-N 3.31Å; D315-L317 PolarHBondContact O-N 3.34Å; D315-L317 VanDerWaalsContact O-N 3.1Å; D315-L317 WeakPolarHBondContact OD1-CB 3.33Å; D315-L317 WeakPolarHBondContact OD1-CG 3.5Å; D315-L317 PolarHBondContact OD1-N 3.05Å; D315-Q318 HydrophobicContact CB-CG 4.34Å; D315-Q318 WeakPolarHBondContact O-CB 3.17Å; D315-Q318 PolarHBondContact O-N 2.75Å; D315-Y319 WeakPolarHBondContact O-CD2 3.2Å
316	P	93.7	Very high	92.9	Very high	31 Å²	31	41 Å²	41	20%	0.201	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.7	-25.1	-179.7	-26.5	35.6	0	0	0	115.3	Q318 Y319 R342 T344 L345	P316-Q318 PolarHBondContact O-N 3.23Å; P316-Y319 PolarHBondContact O-N 3.16Å; P316-R342 VanDerWaalsContact CA-O 3.3Å; P316-R342 WeakPolarHBondContact CA-O 3.21Å; P316-T344 WeakPolarHBondContact CB-OG1 3.15Å; P316-T344 WeakPolarHBondContact CG-OG1 3.47Å; P316-L345 HydrophobicContact CB-CB 4.13Å; P316-L345 HydrophobicContact CB-CD1 3.97Å; P316-L345 HydrophobicContact CB-CG 3.87Å
317	L	91.8	Very high	93.1	Very high	84 Å²	84	40.5 Å²	40.5	44%	0.44	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-62	-24.5	175.9	-65.6	177.9	0	0	0	112.5	D315 Y319 I320 L345	D315-L317 PolarHBondContact O-N 3.34Å; D315-L317 VanDerWaalsContact O-N 3.1Å; D315-L317 WeakPolarHBondContact OD1-CB 3.33Å; D315-L317 WeakPolarHBondContact OD1-CG 3.5Å; D315-L317 PolarHBondContact OD1-N 3.05Å; L317-Y319 PolarHBondContact O-N 2.92Å; L317-I320 HydrophobicContact CD2-CD1 4.01Å; L317-L345 HydrophobicContact CD2-CD1 4.06Å
318	Q	91.1	Very high	93.2	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.056	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-71.5	-18.3	176.9	-64	-65.8	-68.5	0	0	112.7	R115 Q288 D315 P316	R115-Q318 PolarHBondContact NE-O 3.03Å; R115-Q318 PolarHBondContact NH2-O 2.88Å; R115-Q318 VanDerWaalsContact NH2-O 3.07Å; Q288-Q318 PolarHBondContact O-NE2 3.14Å; Q288-Q318 VanDerWaalsContact O-NE2 3.13Å; Q288-Q318 VanDerWaalsContact OE1-CG 3.32Å; D315-Q318 HydrophobicContact CB-CG 4.34Å; D315-Q318 WeakPolarHBondContact O-CB 3.17Å; D315-Q318 PolarHBondContact O-N 2.75Å; P316-Q318 PolarHBondContact O-N 3.23Å
319	Y	94.2	Very high	93.3	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-113.8	4.3	-168.8	-62.5	-85.6	0	0	0	114.5	C313 D315 P316 L317 H321 L322 R342 I346	C313-Y319 WeakPolarHBondContact O-CE2 3.28Å; C313-Y319 PolarHBondContact O-OH 3.29Å; C313-Y319 VanDerWaalsContact O-OH 3.12Å; D315-Y319 WeakPolarHBondContact O-CD2 3.2Å; P316-Y319 PolarHBondContact O-N 3.16Å; L317-Y319 PolarHBondContact O-N 2.92Å; Y319-H321 CarbonylContact O-C 3.54Å; Y319-H321 PolarHBondContact O-N 3.35Å; Y319-L322 HydrophobicContact CD1-CD1 4.18Å; Y319-R342 HydrophobicContact CD2-CB 3.7Å; Y319-R342 WeakPolarHBondContact CD2-O 3.29Å; Y319-R342 HydrophobicContact CE2-CB 3.54Å; Y319-R342 HydrophobicContact CE2-CG 4.2Å; Y319-R342 HydrophobicContact CG-CB 4.33Å; Y319-R342 WeakPolarHBondContact OH-CD 3.49Å; Y319-R342 PolarHBondContact OH-NH1 2.82Å; Y319-I346 WeakPolarHBondContact O-CG1 3.49Å
320	I	94.4	Very high	93.2	Very high	48 Å²	48	41.9 Å²	41.9	25%	0.246	20%	0.198	C	C	.	.	S	Bend	trans	-48	-42.7	-178.1	-59.9	171.7	0	0	0	112	L317 Q347 W348	L317-I320 HydrophobicContact CD2-CD1 4.01Å; I320-Q347 HydrophobicContact CG2-CB 4.06Å; I320-Q347 HydrophobicContact CG2-CG 3.94Å; I320-Q347 PolarHBondContact O-N 2.93Å; I320-W348 PolarHBondContact O-N 3.02Å; I320-W348 VanDerWaalsContact O-N 3.08Å
321	H	95.1	Very high	93.1	Very high	32 Å²	32	36.6 Å²	36.6	15%	0.148	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.1	169.1	-54.6	167.3	0	0	0	109.4	F113 Y319 W348	F113-H321 HydrophobicContact CD1-CB 4.36Å; Y319-H321 CarbonylContact O-C 3.54Å; Y319-H321 PolarHBondContact O-N 3.35Å; H321-W348 HydrophobicContact CB-CB 4.3Å; H321-W348 HydrophobicContact CB-CE3 4.18Å; H321-W348 AromaticContact CD2-CD2 3.48Å; H321-W348 VanDerWaalsContact CD2-CD2 3.48Å; H321-W348 AromaticContact CD2-CE2 4Å; H321-W348 AromaticContact CD2-CE3 3.74Å; H321-W348 AromaticContact CD2-CG 3.59Å; H321-W348 AromaticContact CE1-CD2 3.79Å; H321-W348 AromaticContact CE1-CE2 3.89Å; H321-W348 AromaticContact CE1-CE3 3.6Å; H321-W348 AromaticContact CE1-CH2 3.57Å; H321-W348 AromaticContact CE1-CZ2 3.8Å; H321-W348 AromaticContact CE1-CZ3 3.49Å; H321-W348 VanDerWaalsContact CE1-CZ3 3.49Å; H321-W348 WeakPolarHBondContact CE1-CZ3 3.36Å; H321-W348 AromaticContact CG-CD2 3.81Å; H321-W348 AromaticContact CG-CE3 3.56Å; H321-W348 AromaticContact ND1-CD2 3.97Å; H321-W348 AromaticContact ND1-CE3 3.45Å; H321-W348 AromaticContact ND1-CZ3 3.52Å; H321-W348 AromaticContact NE2-CD2 3.52Å; H321-W348 AromaticContact NE2-CE2 3.56Å; H321-W348 AromaticContact NE2-CE3 3.81Å; H321-W348 AromaticContact NE2-CG 4Å; H321-W348 AromaticContact NE2-CZ2 3.85Å
322	L	95.3	Very high	93.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.4	-177.2	-179.7	58.5	0	0	0	110.8	V296 Y319 L324 I346 W348 L349 N350	V296-L322 HydrophobicContact CG2-CD1 3.79Å; Y319-L322 HydrophobicContact CD1-CD1 4.18Å; L322-L324 HydrophobicContact CD1-CD2 3.82Å; L322-L324 HydrophobicContact CD1-CG 4.29Å; L322-L324 HydrophobicContact CD2-CD1 4.29Å; L322-L324 HydrophobicContact CD2-CD2 4.28Å; L322-L324 HydrophobicContact CD2-CG 4.21Å; L322-L324 HydrophobicContact CG-CD2 4.1Å; L322-L324 HydrophobicContact CG-CG 4.02Å; L322-I346 HydrophobicContact CB-CD1 4.1Å; L322-I346 HydrophobicContact CD2-CD1 3.71Å; L322-W348 PolarHBondContact N-O 2.62Å; L322-L349 HydrophobicContact CB-CD1 4.45Å; L322-L349 HydrophobicContact CD2-CD1 4.3Å; L322-L349 HydrophobicContact CG-CD1 4.41Å; L322-L349 WeakPolarHBondContact O-CA 3.44Å; L322-N350 PolarHBondContact O-N 3.39Å
323	S	95.4	Very high	93.2	Very high	8 Å²	8	34 Å²	34	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.8	167.6	-172.7	0	0	0	0	110.6	P326 N350	S323-P326 WeakPolarHBondContact OG-CD 3.45Å; S323-N350 PolarHBondContact OG-ND2 2.99Å
324	L	95.1	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.191	C	C	.	.			trans	-102.8	-7.8	174.7	-63.9	-178.7	0	0	0	112.7	L322 P326 Y327 W328 I331 L336 L339 N350 L351	L322-L324 HydrophobicContact CD1-CD2 3.82Å; L322-L324 HydrophobicContact CD1-CG 4.29Å; L322-L324 HydrophobicContact CD2-CD1 4.29Å; L322-L324 HydrophobicContact CD2-CD2 4.28Å; L322-L324 HydrophobicContact CD2-CG 4.21Å; L322-L324 HydrophobicContact CG-CD2 4.1Å; L322-L324 HydrophobicContact CG-CG 4.02Å; L324-P326 VanDerWaalsContact C-CD 3.44Å; L324-P326 VanDerWaalsContact C-N 3.32Å; L324-Y327 HydrophobicContact CD2-CD2 4.43Å; L324-Y327 CarbonylContact O-C 3.47Å; L324-Y327 PolarHBondContact O-N 2.75Å; L324-W328 PolarHBondContact O-N 3.14Å; L324-I331 HydrophobicContact CB-CD1 4.3Å; L324-I331 HydrophobicContact CB-CG1 4.19Å; L324-I331 HydrophobicContact CD1-CD1 4.43Å; L324-I331 HydrophobicContact CD2-CD1 4.26Å; L324-L336 HydrophobicContact CD1-CD2 3.97Å; L324-L339 HydrophobicContact CD1-CD1 4.1Å; L324-L339 HydrophobicContact CD2-CD1 4.06Å; L324-N350 PolarHBondContact N-O 2.93Å; L324-L351 HydrophobicContact CB-CD2 4.11Å; L324-L351 HydrophobicContact CD1-CD2 3.77Å; L324-L351 HydrophobicContact CG-CD2 4.48Å
325	Q	94.9	Very high	93.1	Very high	30 Å²	30	38.5 Å²	38.5	14%	0.14	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-50.3	-41.8	174.4	178.1	-174.6	26.9	0	0	113.4	F120 Y327 W328 N350 S352 W353	F120-Q325 HydrophobicContact CZ-CG 4.03Å; Q325-Y327 PolarHBondContact O-N 2.85Å; Q325-W328 VanDerWaalsContact O-CB 3.28Å; Q325-W328 WeakPolarHBondContact O-CB 3.45Å; Q325-W328 PolarHBondContact O-N 2.79Å; Q325-N350 PolarHBondContact N-O 3.24Å; Q325-N350 PolarHBondContact OE1-ND2 2.9Å; Q325-S352 WeakPolarHBondContact CG-O 3.4Å; Q325-W353 HydrophobicContact CG-CD2 4Å; Q325-W353 HydrophobicContact CG-CE3 3.76Å; Q325-W353 HydrophobicContact CG-CG 4.48Å; Q325-W353 HydrophobicContact CG-CZ3 4.19Å
326	P	94.1	Very high	93.1	Very high	17 Å²	17	37 Å²	37	11%	0.11	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.7	-19.9	178.1	-26.3	36.6	0	0	0	115	I116 P117 F120 S323 L324	I116-P326 HydrophobicContact CG2-CG 4.13Å; P117-P326 HydrophobicContact CG-CB 4.1Å; F120-P326 HydrophobicContact CB-CB 4.08Å; F120-P326 HydrophobicContact CB-CG 4.42Å; F120-P326 HydrophobicContact CD1-CB 4.21Å; F120-P326 HydrophobicContact CD1-CG 3.89Å; F120-P326 VanDerWaalsContact CD2-CA 3.48Å; F120-P326 HydrophobicContact CD2-CB 3.64Å; F120-P326 HydrophobicContact CD2-CG 4.21Å; F120-P326 HydrophobicContact CE1-CG 4.21Å; F120-P326 HydrophobicContact CE2-CB 4.18Å; F120-P326 HydrophobicContact CG-CB 3.7Å; F120-P326 HydrophobicContact CG-CG 3.9Å; S323-P326 WeakPolarHBondContact OG-CD 3.45Å; L324-P326 VanDerWaalsContact C-CD 3.44Å; L324-P326 VanDerWaalsContact C-N 3.32Å
327	Y	93	Very high	93.1	Very high	38 Å²	38	40.1 Å²	40.1	15%	0.149	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-110.6	15.5	-177.8	-43.7	-69.1	0	0	0	111.9	P117 T295 V296 P297 L324 Q325 A329 R330 I331	P117-Y327 HydrophobicContact CG-CE1 3.99Å; P117-Y327 WeakPolarHBondContact CG-OH 3.24Å; T295-Y327 WeakPolarHBondContact CB-OH 3.41Å; V296-Y327 HydrophobicContact CB-CE2 4.14Å; V296-Y327 HydrophobicContact CG2-CE2 4.39Å; P297-Y327 VanDerWaalsContact CD-OH 3.29Å; P297-Y327 WeakPolarHBondContact CD-OH 3.26Å; P297-Y327 HydrophobicContact CG-CD1 4.02Å; P297-Y327 HydrophobicContact CG-CE1 3.48Å; P297-Y327 VanDerWaalsContact CG-CE1 3.48Å; L324-Y327 HydrophobicContact CD2-CD2 4.43Å; L324-Y327 CarbonylContact O-C 3.47Å; L324-Y327 PolarHBondContact O-N 2.75Å; Q325-Y327 PolarHBondContact O-N 2.85Å; Y327-A329 PolarHBondContact O-N 3.4Å; Y327-R330 PolarHBondContact O-N 3.37Å; Y327-I331 WeakPolarHBondContact O-CG1 3.46Å; Y327-I331 PolarHBondContact O-N 2.87Å
328	W	92.6	Very high	93.1	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.045	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-46.2	-39.7	-168.4	66.5	-96.8	0	0	0	114.5	L154 W171 R205 E207 L324 Q325 R330 I331 W353 T354	L154-W328 HydrophobicContact CD2-CZ2 4.25Å; W171-W328 AromaticContact CD1-CH2 3.82Å; W171-W328 AromaticContact CD1-CZ3 3.89Å; W171-W328 AromaticContact CD2-CH2 3.69Å; W171-W328 HydrophobicContact CD2-CH2 3.69Å; W171-W328 HydrophobicContact CD2-CZ3 4.43Å; W171-W328 AromaticContact CE2-CH2 3.6Å; W171-W328 HydrophobicContact CE3-CH2 4.3Å; W171-W328 AromaticContact CG-CH2 3.82Å; W171-W328 HydrophobicContact CG-CH2 3.82Å; W171-W328 HydrophobicContact CG-CZ3 4.35Å; W171-W328 HydrophobicContact CZ2-CH2 4.1Å; W171-W328 AromaticContact NE1-CH2 3.68Å; W171-W328 AromaticContact NE1-CZ3 3.67Å; R205-W328 VanDerWaalsContact CD-CZ2 3.41Å; R205-W328 VanDerWaalsContact NE-CZ2 3.26Å; E207-W328 PolarHBondContact OE1-NE1 3.33Å; L324-W328 PolarHBondContact O-N 3.14Å; Q325-W328 VanDerWaalsContact O-CB 3.28Å; Q325-W328 WeakPolarHBondContact O-CB 3.45Å; Q325-W328 PolarHBondContact O-N 2.79Å; W328-R330 PolarHBondContact O-N 3.39Å; W328-I331 PolarHBondContact O-N 2.8Å; W328-W353 HydrophobicContact CB-CB 4.03Å; W328-W353 AromaticContact CD1-CE3 3.94Å; W328-W353 HydrophobicContact CG-CB 4.11Å; W328-T354 HydrophobicContact CB-CG2 4.03Å
329	A	89.5	Confident	93.2	Very high	36 Å²	36	44.4 Å²	44.4	30%	0.298	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-69.6	-15	-179	0	0	0	0	0	114.9	W171 Y327	W171-A329 HydrophobicContact CB-CB 3.8Å; W171-A329 HydrophobicContact CG-CB 4.02Å; Y327-A329 PolarHBondContact O-N 3.4Å
330	R	88.9	Confident	93.1	Very high	204 Å²	204	46.1 Å²	46.1	77%	0.77	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-112.1	-7.8	-177.5	-55.1	-175.6	83.2	174	6.1	113	Y327 W328 S335	Y327-R330 PolarHBondContact O-N 3.37Å; W328-R330 PolarHBondContact O-N 3.39Å; R330-S335 PolarHBondContact O-OG 2.88Å
331	I	91.9	Very high	92.9	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.067	24%	0.238	C	C	.	.			trans	-81.3	126.3	-178.7	-56.3	-56.4	0	0	0	109.7	L324 Y327 W328 L336 T354 I360	L324-I331 HydrophobicContact CB-CD1 4.3Å; L324-I331 HydrophobicContact CB-CG1 4.19Å; L324-I331 HydrophobicContact CD1-CD1 4.43Å; L324-I331 HydrophobicContact CD2-CD1 4.26Å; Y327-I331 WeakPolarHBondContact O-CG1 3.46Å; Y327-I331 PolarHBondContact O-N 2.87Å; W328-I331 PolarHBondContact O-N 2.8Å; I331-L336 HydrophobicContact CG2-CD2 4.03Å; I331-L336 HydrophobicContact CG2-CG 4.24Å; I331-T354 HydrophobicContact CB-CG2 4.48Å; I331-T354 HydrophobicContact CG1-CG2 4.39Å; I331-I360 HydrophobicContact CG2-CD1 3.84Å; I331-I360 HydrophobicContact CG2-CG1 4.33Å
332	N	91.4	Very high	92.8	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	24%	0.236	S	C	.	.			trans	-143.7	178.2	175.6	59.1	24.7	0	0	0	110.4	T334 S335 L336 A359	N332-T334 VanDerWaalsContact C-N 3.27Å; N332-T334 PolarHBondContact O-N 3.11Å; N332-T334 PolarHBondContact OD1-N 2.62Å; N332-S335 WeakPolarHBondContact O-CB 3.5Å; N332-S335 PolarHBondContact O-N 2.87Å; N332-S335 WeakPolarHBondContact OD1-CB 3.43Å; N332-S335 PolarHBondContact OD1-N 2.82Å; N332-S335 PolarHBondContact OD1-OG 3.38Å; N332-L336 PolarHBondContact O-N 2.84Å; N332-A359 CarbonylContact C-O 3.59Å; N332-A359 WeakPolarHBondContact CA-O 3.19Å; N332-A359 HydrophobicContact CB-CB 4.22Å; N332-A359 VanDerWaalsContact CB-O 3.22Å; N332-A359 WeakPolarHBondContact CB-O 3.31Å
333	D	92.9	Very high	92.7	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.193	24%	0.235	C	C	.	.	H	α-helix	trans	-52.6	-42.4	179.2	-75.7	-7.8	0	0	0	113.6	L336 E337 A359 I360 S361 G364	D333-L336 PolarHBondContact O-N 3.45Å; D333-E337 WeakPolarHBondContact O-CB 3.17Å; D333-E337 PolarHBondContact O-N 2.83Å; D333-A359 PolarHBondContact N-O 2.83Å; D333-I360 VanDerWaalsContact OD1-CA 3.28Å; D333-I360 WeakPolarHBondContact OD1-CA 3.22Å; D333-S361 PolarHBondContact OD1-N 3.41Å; D333-S361 WeakPolarHBondContact OD2-CB 3.34Å; D333-S361 PolarHBondContact OD2-N 2.87Å; D333-S361 PolarHBondContact OD2-OG 3.12Å; D333-G364 WeakPolarHBondContact OD1-CA 3.31Å
334	T	92.4	Very high	92.7	Very high	77 Å²	77	50 Å²	50	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-42.2	178	-54.3	0	0	0	0	111.5	N332 L336 E337 Y338	N332-T334 VanDerWaalsContact C-N 3.27Å; N332-T334 PolarHBondContact O-N 3.11Å; N332-T334 PolarHBondContact OD1-N 2.62Å; T334-L336 VanDerWaalsContact C-N 3.35Å; T334-E337 WeakPolarHBondContact O-CB 3.18Å; T334-E337 PolarHBondContact O-N 2.6Å; T334-Y338 HydrophobicContact CG2-CD2 3.86Å; T334-Y338 HydrophobicContact CG2-CE2 3.48Å; T334-Y338 VanDerWaalsContact CG2-CE2 3.48Å; T334-Y338 WeakPolarHBondContact O-CD2 3.48Å; T334-Y338 PolarHBondContact O-N 3.34Å
335	S	92.7	Very high	92.7	Very high	36 Å²	36	53.4 Å²	53.4	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-41.1	177.6	-56.8	0	0	0	0	111.4	R330 N332 L339	R330-S335 PolarHBondContact O-OG 2.88Å; N332-S335 WeakPolarHBondContact O-CB 3.5Å; N332-S335 PolarHBondContact O-N 2.87Å; N332-S335 WeakPolarHBondContact OD1-CB 3.43Å; N332-S335 PolarHBondContact OD1-N 2.82Å; N332-S335 PolarHBondContact OD1-OG 3.38Å; S335-L339 WeakPolarHBondContact O-CG 3.49Å; S335-L339 PolarHBondContact O-N 2.91Å
336	L	94.2	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-42.8	174.2	-67.1	-178.8	0	0	0	111.2	L324 I331 N332 D333 T334 Y338 L339 Q340 L351 I360 F368	L324-L336 HydrophobicContact CD1-CD2 3.97Å; I331-L336 HydrophobicContact CG2-CD2 4.03Å; I331-L336 HydrophobicContact CG2-CG 4.24Å; N332-L336 PolarHBondContact O-N 2.84Å; D333-L336 PolarHBondContact O-N 3.45Å; T334-L336 VanDerWaalsContact C-N 3.35Å; L336-Y338 PolarHBondContact O-N 3.17Å; L336-L339 PolarHBondContact O-N 2.65Å; L336-L339 VanDerWaalsContact O-N 3.12Å; L336-Q340 WeakPolarHBondContact O-CG 3.43Å; L336-Q340 PolarHBondContact O-N 2.83Å; L336-Q340 VanDerWaalsContact O-N 3.09Å; L336-L351 HydrophobicContact CD2-CD2 4.27Å; L336-I360 HydrophobicContact CD1-CD1 4.15Å; L336-I360 HydrophobicContact CD1-CG1 4.16Å; L336-I360 HydrophobicContact CD1-CG2 3.97Å; L336-F368 HydrophobicContact CB-CB 4.42Å; L336-F368 HydrophobicContact CB-CD2 4.03Å; L336-F368 HydrophobicContact CB-CG 4.34Å; L336-F368 HydrophobicContact CD1-CB 4.45Å; L336-F368 HydrophobicContact CD2-CD1 4.46Å; L336-F368 HydrophobicContact CD2-CD2 4.28Å; L336-F368 HydrophobicContact CD2-CE2 4.41Å; L336-F368 HydrophobicContact CD2-CG 4.31Å; L336-F368 WeakPolarHBondContact O-CD2 3.45Å
337	E	94.6	Very high	92.9	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-45.5	178.4	-170.4	163.9	172.4	0	0	112.6	D333 T334 L339 Q340 R367	D333-E337 WeakPolarHBondContact O-CB 3.17Å; D333-E337 PolarHBondContact O-N 2.83Å; T334-E337 WeakPolarHBondContact O-CB 3.18Å; T334-E337 PolarHBondContact O-N 2.6Å; E337-L339 PolarHBondContact O-N 3.05Å; E337-Q340 WeakPolarHBondContact O-CB 3.38Å; E337-Q340 PolarHBondContact O-N 3.06Å; E337-R367 IonicContact OE1-NH1 3.27Å; E337-R367 IonicContact OE2-CZ 3.85Å; E337-R367 VanDerWaalsContact OE2-CZ 3.31Å; E337-R367 IonicContact OE2-NH1 2.79Å; E337-R367 PolarHBondContact OE2-NH1 3.05Å; E337-R367 IonicContact OE2-NH2 3.68Å; E337-R367 PolarHBondContact OE2-NH2 3.07Å
338	Y	91.9	Very high	93.1	Very high	173 Å²	173	55 Å²	55	68%	0.678	27%	0.273	S	S	*	.	H	α-helix	trans	-62.6	-29.7	175.5	-78.8	-62.2	0	0	0	113.8	T334 L336	T334-Y338 HydrophobicContact CG2-CD2 3.86Å; T334-Y338 HydrophobicContact CG2-CE2 3.48Å; T334-Y338 VanDerWaalsContact CG2-CE2 3.48Å; T334-Y338 WeakPolarHBondContact O-CD2 3.48Å; T334-Y338 PolarHBondContact O-N 3.34Å; L336-Y338 PolarHBondContact O-N 3.17Å
339	L	92.4	Very high	93.3	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-82	-23	179.6	-70.7	173.6	0	0	0	113	V296 L324 S335 L336 E337 S341 R342 C343 F368	V296-L339 HydrophobicContact CG1-CD2 4.39Å; L324-L339 HydrophobicContact CD1-CD1 4.1Å; L324-L339 HydrophobicContact CD2-CD1 4.06Å; S335-L339 WeakPolarHBondContact O-CG 3.49Å; S335-L339 PolarHBondContact O-N 2.91Å; L336-L339 PolarHBondContact O-N 2.65Å; L336-L339 VanDerWaalsContact O-N 3.12Å; E337-L339 PolarHBondContact O-N 3.05Å; L339-S341 VanDerWaalsContact C-N 3.32Å; L339-S341 PolarHBondContact O-N 3.1Å; L339-S341 VanDerWaalsContact O-N 3.14Å; L339-R342 PolarHBondContact O-N 3.4Å; L339-C343 PolarHBondContact O-N 3.03Å; L339-C343 PolarHBondContact O-SG 3.3Å; L339-F368 HydrophobicContact CB-CE2 4.16Å
340	Q	91.8	Very high	93.7	Very high	38 Å²	38	53.1 Å²	53.1	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-46.5	-51.1	-172.3	-79.3	173.9	10.2	0	0	113.3	L336 E337 R342 C343 F368 V371	L336-Q340 WeakPolarHBondContact O-CG 3.43Å; L336-Q340 PolarHBondContact O-N 2.83Å; L336-Q340 VanDerWaalsContact O-N 3.09Å; E337-Q340 WeakPolarHBondContact O-CB 3.38Å; E337-Q340 PolarHBondContact O-N 3.06Å; Q340-R342 PolarHBondContact O-N 3.44Å; Q340-C343 PolarHBondContact O-N 3.37Å; Q340-F368 HydrophobicContact CG-CD2 3.79Å; Q340-F368 HydrophobicContact CG-CE2 4.46Å; Q340-V371 HydrophobicContact CB-CG2 4.25Å; Q340-V371 HydrophobicContact CG-CG2 4.25Å; Q340-V371 WeakPolarHBondContact O-CG1 3.49Å
341	S	90.3	Very high	94	Very high	85 Å²	85	43.4 Å²	43.4	59%	0.594	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.9	-176.6	60.5	0	0	0	0	114.8	L339	L339-S341 VanDerWaalsContact C-N 3.32Å; L339-S341 PolarHBondContact O-N 3.1Å; L339-S341 VanDerWaalsContact O-N 3.14Å
342	R	92.9	Very high	94.2	Very high	29 Å²	29	43 Å²	43	11%	0.109	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.1	-177.3	-46.9	177.1	-170.8	171.7	6	112.6	C300 C314 P316 Y319 L339 Q340	C300-R342 PolarHBondContact SG-NH1 3.37Å; C314-R342 HydrophobicContact CB-CG 4.12Å; C314-R342 PolarHBondContact SG-NE 2.82Å; C314-R342 VanDerWaalsContact SG-NE 3.41Å; P316-R342 VanDerWaalsContact CA-O 3.3Å; P316-R342 WeakPolarHBondContact CA-O 3.21Å; Y319-R342 HydrophobicContact CD2-CB 3.7Å; Y319-R342 WeakPolarHBondContact CD2-O 3.29Å; Y319-R342 HydrophobicContact CE2-CB 3.54Å; Y319-R342 HydrophobicContact CE2-CG 4.2Å; Y319-R342 HydrophobicContact CG-CB 4.33Å; Y319-R342 WeakPolarHBondContact OH-CD 3.49Å; Y319-R342 PolarHBondContact OH-NH1 2.82Å; L339-R342 PolarHBondContact O-N 3.4Å; Q340-R342 PolarHBondContact O-N 3.44Å
343	C	94	Very high	94.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.			trans	-104.6	20	-165.7	-71.3	0	0	0	0	113	L339 Q340 L345 I346 F368 C372	L339-C343 PolarHBondContact O-N 3.03Å; L339-C343 PolarHBondContact O-SG 3.3Å; Q340-C343 PolarHBondContact O-N 3.37Å; C343-L345 VanDerWaalsContact C-N 3.32Å; C343-L345 PolarHBondContact O-N 2.91Å; C343-I346 HydrophobicContact CB-CD1 3.41Å; C343-I346 VanDerWaalsContact CB-CD1 3.41Å; C343-I346 HydrophobicContact CB-CG1 3.93Å; C343-I346 WeakPolarHBondContact O-CG1 3.37Å; C343-F368 HydrophobicContact CB-CE2 3.99Å; C343-F368 HydrophobicContact CB-CZ 3.92Å; C343-C372 WeakPolarHBondContact O-CB 3.44Å
344	T	94.3	Very high	94.1	Very high	59 Å²	59	38.7 Å²	38.7	36%	0.362	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.3	-173.9	53.7	0	0	0	0	114.2	P316 V371	P316-T344 WeakPolarHBondContact CB-OG1 3.15Å; P316-T344 WeakPolarHBondContact CG-OG1 3.47Å; T344-V371 HydrophobicContact CG2-CG1 3.82Å
345	L	95.8	Very high	93.2	Very high	72 Å²	72	35.1 Å²	35.1	38%	0.377	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	21.8	-178.9	-60	-177.1	0	0	0	113	P316 L317 C343 Q347	P316-L345 HydrophobicContact CB-CB 4.13Å; P316-L345 HydrophobicContact CB-CD1 3.97Å; P316-L345 HydrophobicContact CB-CG 3.87Å; L317-L345 HydrophobicContact CD2-CD1 4.06Å; C343-L345 VanDerWaalsContact C-N 3.32Å; C343-L345 PolarHBondContact O-N 2.91Å; L345-Q347 PolarHBondContact O-N 3.19Å
346	I	96.3	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	-65.1	125.4	178.7	-65.9	-176.9	0	0	0	109.5	Y319 L322 C343 W348 L349 F368 C372 E375 L376	Y319-I346 WeakPolarHBondContact O-CG1 3.49Å; L322-I346 HydrophobicContact CB-CD1 4.1Å; L322-I346 HydrophobicContact CD2-CD1 3.71Å; C343-I346 HydrophobicContact CB-CD1 3.41Å; C343-I346 VanDerWaalsContact CB-CD1 3.41Å; C343-I346 HydrophobicContact CB-CG1 3.93Å; C343-I346 WeakPolarHBondContact O-CG1 3.37Å; I346-W348 WeakPolarHBondContact CG2-O 3.41Å; I346-L349 HydrophobicContact CD1-CD1 4.44Å; I346-L349 HydrophobicContact CG2-CB 4.02Å; I346-F368 HydrophobicContact CD1-CE1 4.44Å; I346-F368 HydrophobicContact CD1-CZ 4.08Å; I346-C372 HydrophobicContact CB-CB 4.09Å; I346-C372 HydrophobicContact CD1-CB 4.27Å; I346-C372 HydrophobicContact CG1-CB 4.42Å; I346-E375 CarbonylContact O-C 3.54Å; I346-E375 WeakPolarHBondContact O-CB 3.34Å; I346-L376 HydrophobicContact CG2-CD1 3.78Å
347	Q	96.9	Very high	90.6	Very high	78 Å²	78	37.8 Å²	37.8	36%	0.364	18%	0.182	S	C	.	.	S	Bend	trans	-102.1	-37.6	169.2	-65.8	178.8	5.1	0	0	111.2	I320 L345 L376 V377 R378	I320-Q347 HydrophobicContact CG2-CB 4.06Å; I320-Q347 HydrophobicContact CG2-CG 3.94Å; I320-Q347 PolarHBondContact O-N 2.93Å; L345-Q347 PolarHBondContact O-N 3.19Å; Q347-L376 WeakPolarHBondContact O-CD1 3.27Å; Q347-V377 HydrophobicContact CB-CG2 4.45Å; Q347-V377 PolarHBondContact O-N 3.44Å; Q347-R378 PolarHBondContact O-N 2.86Å
348	W	97.5	Very high	89.4	Confident	40 Å²	40	36 Å²	36	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123	178.6	-56.7	-7.3	0	0	0	110.6	L111 F113 I320 H321 L322 I346 R378	L111-W348 HydrophobicContact CB-CH2 3.54Å; L111-W348 HydrophobicContact CB-CZ3 3.86Å; L111-W348 HydrophobicContact CD1-CH2 3.78Å; L111-W348 HydrophobicContact CD1-CZ2 4.39Å; L111-W348 HydrophobicContact CG-CH2 4.31Å; F113-W348 HydrophobicContact CD1-CB 4.37Å; F113-W348 HydrophobicContact CE1-CB 3.6Å; F113-W348 HydrophobicContact CZ-CB 4.05Å; I320-W348 PolarHBondContact O-N 3.02Å; I320-W348 VanDerWaalsContact O-N 3.08Å; H321-W348 HydrophobicContact CB-CB 4.3Å; H321-W348 HydrophobicContact CB-CE3 4.18Å; H321-W348 AromaticContact CD2-CD2 3.48Å; H321-W348 VanDerWaalsContact CD2-CD2 3.48Å; H321-W348 AromaticContact CD2-CE2 4Å; H321-W348 AromaticContact CD2-CE3 3.74Å; H321-W348 AromaticContact CD2-CG 3.59Å; H321-W348 AromaticContact CE1-CD2 3.79Å; H321-W348 AromaticContact CE1-CE2 3.89Å; H321-W348 AromaticContact CE1-CE3 3.6Å; H321-W348 AromaticContact CE1-CH2 3.57Å; H321-W348 AromaticContact CE1-CZ2 3.8Å; H321-W348 AromaticContact CE1-CZ3 3.49Å; H321-W348 VanDerWaalsContact CE1-CZ3 3.49Å; H321-W348 WeakPolarHBondContact CE1-CZ3 3.36Å; H321-W348 AromaticContact CG-CD2 3.81Å; H321-W348 AromaticContact CG-CE3 3.56Å; H321-W348 AromaticContact ND1-CD2 3.97Å; H321-W348 AromaticContact ND1-CE3 3.45Å; H321-W348 AromaticContact ND1-CZ3 3.52Å; H321-W348 AromaticContact NE2-CD2 3.52Å; H321-W348 AromaticContact NE2-CE2 3.56Å; H321-W348 AromaticContact NE2-CE3 3.81Å; H321-W348 AromaticContact NE2-CG 4Å; H321-W348 AromaticContact NE2-CZ2 3.85Å; L322-W348 PolarHBondContact N-O 2.62Å; I346-W348 WeakPolarHBondContact CG2-O 3.41Å; W348-R378 WeakPolarHBondContact CA-O 3.46Å; W348-R378 HydrophobicContact CB-CB 4.13Å; W348-R378 HydrophobicContact CG-CB 3.87Å; W348-R378 HydrophobicContact CG-CG 4.49Å
349	L	97.3	Very high	88.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.2	177.7	-177.2	59.2	0	0	0	110.5	L322 I346 L351 F368 L369 L376 R378 L379 E380	L322-L349 HydrophobicContact CB-CD1 4.45Å; L322-L349 HydrophobicContact CD2-CD1 4.3Å; L322-L349 HydrophobicContact CG-CD1 4.41Å; L322-L349 WeakPolarHBondContact O-CA 3.44Å; I346-L349 HydrophobicContact CD1-CD1 4.44Å; I346-L349 HydrophobicContact CG2-CB 4.02Å; L349-L351 HydrophobicContact CD1-CD1 4.49Å; L349-L351 HydrophobicContact CD1-CG 4.16Å; L349-L351 HydrophobicContact CD2-CD1 3.78Å; L349-L351 HydrophobicContact CD2-CG 4.28Å; L349-L351 HydrophobicContact CG-CD1 4.12Å; L349-L351 HydrophobicContact CG-CG 4.06Å; L349-F368 HydrophobicContact CD1-CE1 4.08Å; L349-F368 HydrophobicContact CD2-CD1 4.22Å; L349-F368 HydrophobicContact CD2-CE1 3.75Å; L349-L369 HydrophobicContact CD2-CD2 4.4Å; L349-L376 HydrophobicContact CB-CD1 3.65Å; L349-R378 PolarHBondContact N-O 3.08Å; L349-L379 HydrophobicContact CB-CD1 4.13Å; L349-L379 HydrophobicContact CD2-CD1 3.99Å; L349-L379 HydrophobicContact CG-CD1 4.16Å; L349-L379 WeakPolarHBondContact O-CA 3.42Å; L349-E380 PolarHBondContact O-N 3.36Å
350	N	96.9	Very high	88.8	Confident	9 Å²	9	29.3 Å²	29.3	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.3	170.4	-178.4	6.4	0	0	0	111.4	F113 L322 S323 L324 Q325 S352 E380	F113-N350 HydrophobicContact CD1-CB 4.4Å; F113-N350 HydrophobicContact CD2-CB 4.34Å; F113-N350 HydrophobicContact CE1-CB 3.78Å; F113-N350 HydrophobicContact CE2-CB 3.73Å; F113-N350 HydrophobicContact CZ-CB 3.44Å; F113-N350 VanDerWaalsContact CZ-CB 3.44Å; L322-N350 PolarHBondContact O-N 3.39Å; S323-N350 PolarHBondContact OG-ND2 2.99Å; L324-N350 PolarHBondContact N-O 2.93Å; Q325-N350 PolarHBondContact N-O 3.24Å; Q325-N350 PolarHBondContact OE1-ND2 2.9Å; N350-S352 WeakPolarHBondContact OD1-CB 3.33Å; N350-S352 PolarHBondContact OD1-N 2.74Å; N350-S352 PolarHBondContact OD1-OG 2.7Å; N350-E380 HydrophobicContact CB-CB 3.94Å; N350-E380 HydrophobicContact CB-CG 4.39Å
351	L	96	Very high	88.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.174	C	C	.	.			trans	-115.3	20.6	176.3	-77.2	172.3	0	0	0	110.9	L324 L336 L349 W353 T354 F365 E380 L381	L324-L351 HydrophobicContact CB-CD2 4.11Å; L324-L351 HydrophobicContact CD1-CD2 3.77Å; L324-L351 HydrophobicContact CG-CD2 4.48Å; L336-L351 HydrophobicContact CD2-CD2 4.27Å; L349-L351 HydrophobicContact CD1-CD1 4.49Å; L349-L351 HydrophobicContact CD1-CG 4.16Å; L349-L351 HydrophobicContact CD2-CD1 3.78Å; L349-L351 HydrophobicContact CD2-CG 4.28Å; L349-L351 HydrophobicContact CG-CD1 4.12Å; L349-L351 HydrophobicContact CG-CG 4.06Å; L351-W353 PolarHBondContact O-N 2.92Å; L351-T354 HydrophobicContact CB-CG2 4.48Å; L351-T354 WeakPolarHBondContact CB-OG1 3.36Å; L351-T354 HydrophobicContact CD2-CG2 4.19Å; L351-T354 WeakPolarHBondContact O-CB 3.33Å; L351-T354 WeakPolarHBondContact O-CG2 3.34Å; L351-T354 PolarHBondContact O-N 3.13Å; L351-T354 VanDerWaalsContact O-N 3.15Å; L351-T354 PolarHBondContact O-OG1 2.57Å; L351-F365 HydrophobicContact CD1-CD2 4.2Å; L351-F365 HydrophobicContact CD1-CE2 3.88Å; L351-E380 CarbonylContact C-O 3.46Å; L351-E380 PolarHBondContact N-O 3.45Å; L351-L381 HydrophobicContact CB-CD2 3.7Å; L351-L381 HydrophobicContact CD1-CD2 4.26Å
352	S	95.4	Very high	88.8	Confident	4 Å²	4	27 Å²	27	3%	0.028	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138.8	176.2	-56	0	0	0	0	110.8	Q325 N350 T354 E380 S382	Q325-S352 WeakPolarHBondContact CG-O 3.4Å; N350-S352 WeakPolarHBondContact OD1-CB 3.33Å; N350-S352 PolarHBondContact OD1-N 2.74Å; N350-S352 PolarHBondContact OD1-OG 2.7Å; S352-T354 WeakPolarHBondContact O-CG2 3.31Å; S352-T354 PolarHBondContact O-N 3.19Å; S352-E380 PolarHBondContact N-O 2.79Å; S352-S382 CarbonylContact C-O 3.58Å; S352-S382 VanDerWaalsContact CA-O 3.22Å; S352-S382 WeakPolarHBondContact CA-O 3.49Å; S352-S382 PolarHBondContact OG-N 2.87Å
353	W	93.1	Very high	88.8	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.019	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-2.3	-177.8	-42.2	-18.5	0	0	0	114.6	F120 Q123 Y125 Q325 W328 L351 N356 S382	F120-W353 HydrophobicContact CE2-CZ3 4.15Å; F120-W353 HydrophobicContact CZ-CE3 4.36Å; F120-W353 HydrophobicContact CZ-CH2 4.23Å; F120-W353 AromaticContact CZ-CZ3 3.61Å; F120-W353 HydrophobicContact CZ-CZ3 3.61Å; Q123-W353 WeakPolarHBondContact O-CZ2 3.25Å; Y125-W353 AromaticContact CD1-CD2 3.99Å; Y125-W353 HydrophobicContact CD1-CD2 3.99Å; Y125-W353 AromaticContact CD1-CE2 3.74Å; Y125-W353 HydrophobicContact CD1-CG 4.26Å; Y125-W353 HydrophobicContact CD1-CZ2 4.1Å; Y125-W353 AromaticContact CD1-NE1 3.9Å; Y125-W353 AromaticContact CE1-CD1 3.58Å; Y125-W353 HydrophobicContact CE1-CD2 4.08Å; Y125-W353 AromaticContact CE1-CE2 3.92Å; Y125-W353 AromaticContact CE1-CG 3.86Å; Y125-W353 HydrophobicContact CE1-CG 3.86Å; Y125-W353 AromaticContact CE1-NE1 3.62Å; Q325-W353 HydrophobicContact CG-CD2 4Å; Q325-W353 HydrophobicContact CG-CE3 3.76Å; Q325-W353 HydrophobicContact CG-CG 4.48Å; Q325-W353 HydrophobicContact CG-CZ3 4.19Å; W328-W353 HydrophobicContact CB-CB 4.03Å; W328-W353 AromaticContact CD1-CE3 3.94Å; W328-W353 HydrophobicContact CG-CB 4.11Å; L351-W353 PolarHBondContact O-N 2.92Å; W353-N356 PolarHBondContact O-ND2 3.39Å; W353-S382 PolarHBondContact N-O 3.34Å
354	T	90.1	Very high	88.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	163.4	-179.9	77	0	0	0	0	111.4	W328 I331 L351 S352 N356 I360 F386	W328-T354 HydrophobicContact CB-CG2 4.03Å; I331-T354 HydrophobicContact CB-CG2 4.48Å; I331-T354 HydrophobicContact CG1-CG2 4.39Å; L351-T354 HydrophobicContact CB-CG2 4.48Å; L351-T354 WeakPolarHBondContact CB-OG1 3.36Å; L351-T354 HydrophobicContact CD2-CG2 4.19Å; L351-T354 WeakPolarHBondContact O-CB 3.33Å; L351-T354 WeakPolarHBondContact O-CG2 3.34Å; L351-T354 PolarHBondContact O-N 3.13Å; L351-T354 VanDerWaalsContact O-N 3.15Å; L351-T354 PolarHBondContact O-OG1 2.57Å; S352-T354 WeakPolarHBondContact O-CG2 3.31Å; S352-T354 PolarHBondContact O-N 3.19Å; T354-N356 PolarHBondContact O-N 3.01Å; T354-N356 VanDerWaalsContact O-N 3.12Å; T354-I360 WeakPolarHBondContact OG1-CD1 3.31Å; T354-F386 WeakPolarHBondContact O-CD1 3.5Å; T354-F386 WeakPolarHBondContact O-CE1 3.37Å
355	G	73.4	Confident	88.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	6.3	175.1	0	0	0	0	0	114.4	R357 G358	G355-R357 PolarHBondContact O-N 3.4Å; G355-G358 PolarHBondContact O-N 2.9Å
356	N	66.4	Low	88.9	Confident	21 Å²	21	23.8 Å²	23.8	11%	0.112	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-48.4	118.6	175.4	-78.6	-4	0	0	0	109.8	W353 T354 C383 H385	W353-N356 PolarHBondContact O-ND2 3.39Å; T354-N356 PolarHBondContact O-N 3.01Å; T354-N356 VanDerWaalsContact O-N 3.12Å; N356-C383 PolarHBondContact OD1-O 2.82Å; N356-H385 PolarHBondContact OD1-CD2 3.48Å
357	R	65.4	Low	88.9	Confident	72 Å²	72	28.1 Å²	28.1	27%	0.272	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	69	40.4	166.1	-43.8	177.5	-160.3	-153.7	23.9	114.7	E127 P160 Y161 G355	E127-R357 IonicContact OE2-CZ 3.64Å; E127-R357 IonicContact OE2-NH2 3.4Å; E127-R357 PolarHBondContact OE2-NH2 3.43Å; P160-R357 VanDerWaalsContact CA-NH1 3.32Å; P160-R357 HydrophobicContact CB-CB 4.49Å; P160-R357 VanDerWaalsContact CD-CZ 3.46Å; P160-R357 VanDerWaalsContact CG-CD 3.4Å; P160-R357 PolarHBondContact O-NH1 3.48Å; Y161-R357 VanDerWaalsContact CD1-NH1 3.26Å; Y161-R357 VanDerWaalsContact CZ-NH1 3.27Å; Y161-R357 PolarHBondContact OH-NH2 3.44Å; G355-R357 PolarHBondContact O-N 3.4Å
358	G	68.4	Low	88.8	Confident	59 Å²	59	24.4 Å²	24.4	61%	0.608	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	93.5	1.4	167.8	0	0	0	0	0	114.8	G355 I360	G355-G358 PolarHBondContact O-N 2.9Å; G358-I360 PolarHBondContact O-N 3.11Å
359	A	82.6	Confident	88.8	Confident	41 Å²	41	22.5 Å²	22.5	34%	0.339	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-36.2	173.8	0	0	0	0	0	112	N332 D333	N332-A359 CarbonylContact C-O 3.59Å; N332-A359 WeakPolarHBondContact CA-O 3.19Å; N332-A359 HydrophobicContact CB-CB 4.22Å; N332-A359 VanDerWaalsContact CB-O 3.22Å; N332-A359 WeakPolarHBondContact CB-O 3.31Å; D333-A359 PolarHBondContact N-O 2.83Å
360	I	90.4	Very high	88.7	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	-107.9	121.5	168.5	-60.9	171.4	0	0	0	107.7	I331 D333 L336 T354 G358 F365 F386	I331-I360 HydrophobicContact CG2-CD1 3.84Å; I331-I360 HydrophobicContact CG2-CG1 4.33Å; D333-I360 VanDerWaalsContact OD1-CA 3.28Å; D333-I360 WeakPolarHBondContact OD1-CA 3.22Å; L336-I360 HydrophobicContact CD1-CD1 4.15Å; L336-I360 HydrophobicContact CD1-CG1 4.16Å; L336-I360 HydrophobicContact CD1-CG2 3.97Å; T354-I360 WeakPolarHBondContact OG1-CD1 3.31Å; G358-I360 PolarHBondContact O-N 3.11Å; I360-F365 HydrophobicContact CG2-CB 3.98Å; I360-F386 HydrophobicContact CB-CD1 4.5Å; I360-F386 HydrophobicContact CB-CD2 4.4Å; I360-F386 HydrophobicContact CB-CG 4.36Å; I360-F386 HydrophobicContact CD1-CE1 4.38Å; I360-F386 HydrophobicContact CG2-CD2 4.04Å; I360-F386 HydrophobicContact CG2-CE2 3.92Å; I360-F386 HydrophobicContact CG2-CZ 4.27Å; I360-F386 WeakPolarHBondContact O-CB 3.49Å
361	S	91.3	Very high	88.6	Confident	35 Å²	35	31.7 Å²	31.7	25%	0.245	18%	0.183	C	C	.	.			trans	-90.4	162.5	172.2	74.8	0	0	0	0	111.1	D333 S363 G364 F365	D333-S361 PolarHBondContact OD1-N 3.41Å; D333-S361 WeakPolarHBondContact OD2-CB 3.34Å; D333-S361 PolarHBondContact OD2-N 2.87Å; D333-S361 PolarHBondContact OD2-OG 3.12Å; S361-S363 PolarHBondContact O-N 3.12Å; S361-S363 PolarHBondContact OG-N 3.29Å; S361-S363 PolarHBondContact OG-OG 2.92Å; S361-G364 PolarHBondContact O-N 2.84Å; S361-G364 PolarHBondContact OG-N 2.9Å; S361-F365 WeakPolarHBondContact O-CB 3.38Å; S361-F365 PolarHBondContact O-N 3.01Å
362	V	91.4	Very high	88.6	Confident	41 Å²	41	31.7 Å²	31.7	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-38.2	173.9	-177	0	0	0	0	110.9	S366 N388 T390	V362-S366 VanDerWaalsContact O-CB 3.22Å; V362-S366 WeakPolarHBondContact O-CB 3.42Å; V362-S366 PolarHBondContact O-N 2.84Å; V362-S366 PolarHBondContact O-OG 3.4Å; V362-N388 VanDerWaalsContact CG2-ND2 3.29Å; V362-N388 WeakPolarHBondContact CG2-ND2 3.33Å; V362-T390 HydrophobicContact CG1-CG2 3.71Å
363	S	92.9	Very high	88.5	Confident	75 Å²	75	31.5 Å²	31.5	52%	0.524	18%	0.182	S	C	.	.	H	α-helix	trans	-72	-42.3	179.7	59.6	0	0	0	0	111.2	S361 S366 R367	S361-S363 PolarHBondContact O-N 3.12Å; S361-S363 PolarHBondContact OG-N 3.29Å; S361-S363 PolarHBondContact OG-OG 2.92Å; S363-S366 PolarHBondContact O-N 3.2Å; S363-R367 VanDerWaalsContact O-CG 3.28Å; S363-R367 WeakPolarHBondContact O-CG 3Å; S363-R367 PolarHBondContact O-N 3.44Å
364	G	93.8	Very high	88.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-49.6	173.2	0	0	0	0	0	112.4	D333 S361 R367 F368	D333-G364 WeakPolarHBondContact OD1-CA 3.31Å; S361-G364 PolarHBondContact O-N 2.84Å; S361-G364 PolarHBondContact OG-N 2.9Å; G364-R367 PolarHBondContact O-N 2.72Å; G364-F368 PolarHBondContact O-N 2.98Å; G364-F368 VanDerWaalsContact O-N 3.1Å
365	F	95.3	Very high	88.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-47.8	175	-177.8	-112	0	0	0	112.2	L351 I360 S361 R367 F368 L369 L381 F386 C391 I395	L351-F365 HydrophobicContact CD1-CD2 4.2Å; L351-F365 HydrophobicContact CD1-CE2 3.88Å; I360-F365 HydrophobicContact CG2-CB 3.98Å; S361-F365 WeakPolarHBondContact O-CB 3.38Å; S361-F365 PolarHBondContact O-N 3.01Å; F365-R367 PolarHBondContact O-N 2.91Å; F365-F368 PolarHBondContact O-N 2.78Å; F365-F368 VanDerWaalsContact O-N 3.16Å; F365-L369 HydrophobicContact CD1-CD1 4.1Å; F365-L369 HydrophobicContact CE1-CD1 3.38Å; F365-L369 HydrophobicContact CE1-CG 4.21Å; F365-L369 HydrophobicContact CE2-CD1 4.05Å; F365-L369 HydrophobicContact CE2-CG 4.17Å; F365-L369 HydrophobicContact CZ-CD1 3.36Å; F365-L369 HydrophobicContact CZ-CG 3.98Å; F365-L369 PolarHBondContact O-N 3.23Å; F365-L381 HydrophobicContact CE2-CD2 4.18Å; F365-L381 HydrophobicContact CZ-CD1 4.33Å; F365-L381 HydrophobicContact CZ-CD2 4.42Å; F365-F386 HydrophobicContact CB-CE2 4.13Å; F365-F386 HydrophobicContact CD1-CE2 4.42Å; F365-F386 AromaticContact CD2-CE2 3.9Å; F365-F386 HydrophobicContact CD2-CE2 3.9Å; F365-F386 HydrophobicContact CD2-CZ 4.12Å; F365-F386 HydrophobicContact CE2-CE2 4.4Å; F365-F386 HydrophobicContact CE2-CZ 4.36Å; F365-F386 AromaticContact CG-CE2 3.9Å; F365-F386 HydrophobicContact CG-CE2 3.9Å; F365-C391 HydrophobicContact CD1-CB 4.19Å; F365-C391 HydrophobicContact CE1-CB 4.08Å; F365-I395 HydrophobicContact CE1-CD1 4.13Å; F365-I395 HydrophobicContact CE1-CG1 4.03Å; F365-I395 HydrophobicContact CZ-CD1 4.06Å; F365-I395 HydrophobicContact CZ-CG1 4.09Å
366	S	95.6	Very high	90	Very high	17 Å²	17	38.1 Å²	38.1	12%	0.119	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-43.8	178.8	-61.5	0	0	0	0	112.8	V362 S363 F368 L369 K370	V362-S366 VanDerWaalsContact O-CB 3.22Å; V362-S366 WeakPolarHBondContact O-CB 3.42Å; V362-S366 PolarHBondContact O-N 2.84Å; V362-S366 PolarHBondContact O-OG 3.4Å; S363-S366 PolarHBondContact O-N 3.2Å; S366-F368 VanDerWaalsContact C-N 3.3Å; S366-F368 PolarHBondContact O-N 3.21Å; S366-L369 PolarHBondContact O-N 2.54Å; S366-K370 VanDerWaalsContact O-CG 3.31Å; S366-K370 WeakPolarHBondContact O-CG 3.49Å; S366-K370 PolarHBondContact O-N 3.17Å
367	R	95.9	Very high	91.5	Very high	91 Å²	91	38.7 Å²	38.7	34%	0.343	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-39.8	176.2	-70.2	178.2	-42.2	165.4	16.6	111.3	E337 S363 G364 F365 K370	E337-R367 IonicContact OE1-NH1 3.27Å; E337-R367 IonicContact OE2-CZ 3.85Å; E337-R367 VanDerWaalsContact OE2-CZ 3.31Å; E337-R367 IonicContact OE2-NH1 2.79Å; E337-R367 PolarHBondContact OE2-NH1 3.05Å; E337-R367 IonicContact OE2-NH2 3.68Å; E337-R367 PolarHBondContact OE2-NH2 3.07Å; S363-R367 VanDerWaalsContact O-CG 3.28Å; S363-R367 WeakPolarHBondContact O-CG 3Å; S363-R367 PolarHBondContact O-N 3.44Å; G364-R367 PolarHBondContact O-N 2.72Å; F365-R367 PolarHBondContact O-N 2.91Å; R367-K370 PolarHBondContact O-N 3.28Å
368	F	96.3	Very high	93	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-45.5	178.7	-169.9	-103.3	0	0	0	111.8	L336 L339 Q340 C343 I346 L349 G364 F365 S366 K370 V371 C372	L336-F368 HydrophobicContact CB-CB 4.42Å; L336-F368 HydrophobicContact CB-CD2 4.03Å; L336-F368 HydrophobicContact CB-CG 4.34Å; L336-F368 HydrophobicContact CD1-CB 4.45Å; L336-F368 HydrophobicContact CD2-CD1 4.46Å; L336-F368 HydrophobicContact CD2-CD2 4.28Å; L336-F368 HydrophobicContact CD2-CE2 4.41Å; L336-F368 HydrophobicContact CD2-CG 4.31Å; L336-F368 WeakPolarHBondContact O-CD2 3.45Å; L339-F368 HydrophobicContact CB-CE2 4.16Å; Q340-F368 HydrophobicContact CG-CD2 3.79Å; Q340-F368 HydrophobicContact CG-CE2 4.46Å; C343-F368 HydrophobicContact CB-CE2 3.99Å; C343-F368 HydrophobicContact CB-CZ 3.92Å; I346-F368 HydrophobicContact CD1-CE1 4.44Å; I346-F368 HydrophobicContact CD1-CZ 4.08Å; L349-F368 HydrophobicContact CD1-CE1 4.08Å; L349-F368 HydrophobicContact CD2-CD1 4.22Å; L349-F368 HydrophobicContact CD2-CE1 3.75Å; G364-F368 PolarHBondContact O-N 2.98Å; G364-F368 VanDerWaalsContact O-N 3.1Å; F365-F368 PolarHBondContact O-N 2.78Å; F365-F368 VanDerWaalsContact O-N 3.16Å; S366-F368 VanDerWaalsContact C-N 3.3Å; S366-F368 PolarHBondContact O-N 3.21Å; F368-K370 VanDerWaalsContact C-N 3.3Å; F368-K370 PolarHBondContact O-N 3.37Å; F368-V371 PolarHBondContact O-N 2.98Å; F368-V371 VanDerWaalsContact O-N 3.11Å; F368-C372 PolarHBondContact O-N 3.24Å; F368-C372 PolarHBondContact O-SG 2.88Å
369	L	96.5	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-27.7	176.4	-74.9	-171.8	0	0	0	113.6	L349 F365 S366 V371 C372 G373 L376 V394 I395 L398	L349-L369 HydrophobicContact CD2-CD2 4.4Å; F365-L369 HydrophobicContact CD1-CD1 4.1Å; F365-L369 HydrophobicContact CE1-CD1 3.38Å; F365-L369 HydrophobicContact CE1-CG 4.21Å; F365-L369 HydrophobicContact CE2-CD1 4.05Å; F365-L369 HydrophobicContact CE2-CG 4.17Å; F365-L369 HydrophobicContact CZ-CD1 3.36Å; F365-L369 HydrophobicContact CZ-CG 3.98Å; F365-L369 PolarHBondContact O-N 3.23Å; S366-L369 PolarHBondContact O-N 2.54Å; L369-V371 PolarHBondContact O-N 3.13Å; L369-C372 PolarHBondContact O-N 3.41Å; L369-G373 VanDerWaalsContact O-CA 3.26Å; L369-G373 WeakPolarHBondContact O-CA 3.39Å; L369-G373 PolarHBondContact O-N 2.87Å; L369-L376 HydrophobicContact CD2-CD2 4.21Å; L369-V394 HydrophobicContact CB-CG1 4.3Å; L369-V394 HydrophobicContact CD1-CG1 4.01Å; L369-I395 HydrophobicContact CD1-CG1 3.74Å; L369-L398 HydrophobicContact CB-CD1 4.02Å
370	K	95.8	Very high	95.2	Very high	153 Å²	153	31.2 Å²	31.2	67%	0.665	17%	0.169	S	C	*	.	H	α-helix	trans	-60.1	-26.3	171.6	-78.2	175	-178	-176.4	0	113.2	S366 R367 F368 L398	S366-K370 VanDerWaalsContact O-CG 3.31Å; S366-K370 WeakPolarHBondContact O-CG 3.49Å; S366-K370 PolarHBondContact O-N 3.17Å; R367-K370 PolarHBondContact O-N 3.28Å; F368-K370 VanDerWaalsContact C-N 3.3Å; F368-K370 PolarHBondContact O-N 3.37Å; K370-L398 HydrophobicContact CB-CD1 4.36Å; K370-L398 HydrophobicContact CG-CD1 3.59Å; K370-L398 HydrophobicContact CG-CD2 4.43Å
371	V	95.1	Very high	95.5	Very high	48 Å²	48	31.1 Å²	31.1	29%	0.291	17%	0.168	S	C	.	.	H	α-helix	trans	-89.2	-39	-179.4	-178.8	0	0	0	0	112	Q340 T344 F368 L369	Q340-V371 HydrophobicContact CB-CG2 4.25Å; Q340-V371 HydrophobicContact CG-CG2 4.25Å; Q340-V371 WeakPolarHBondContact O-CG1 3.49Å; T344-V371 HydrophobicContact CG2-CG1 3.82Å; F368-V371 PolarHBondContact O-N 2.98Å; F368-V371 VanDerWaalsContact O-N 3.11Å; L369-V371 PolarHBondContact O-N 3.13Å
372	C	95.3	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-111.1	-10.7	-170.3	65.4	0	0	0	0	115.3	C343 I346 F368 L369 S374	C343-C372 WeakPolarHBondContact O-CB 3.44Å; I346-C372 HydrophobicContact CB-CB 4.09Å; I346-C372 HydrophobicContact CD1-CB 4.27Å; I346-C372 HydrophobicContact CG1-CB 4.42Å; F368-C372 PolarHBondContact O-N 3.24Å; F368-C372 PolarHBondContact O-SG 2.88Å; L369-C372 PolarHBondContact O-N 3.41Å; C372-S374 PolarHBondContact O-N 3.4Å
373	G	93.9	Very high	95.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-64.6	-35	-168.8	0	0	0	0	0	114.3	L369 E375 L376 L398 C399	L369-G373 VanDerWaalsContact O-CA 3.26Å; L369-G373 WeakPolarHBondContact O-CA 3.39Å; L369-G373 PolarHBondContact O-N 2.87Å; G373-E375 VanDerWaalsContact C-N 3.28Å; G373-E375 PolarHBondContact O-N 2.95Å; G373-L376 WeakPolarHBondContact O-CB 3.42Å; G373-L376 PolarHBondContact O-N 2.92Å; G373-L376 VanDerWaalsContact O-N 3.1Å; G373-L398 CarbonylContact C-O 3.56Å; G373-L398 WeakPolarHBondContact CA-O 3.27Å; G373-C399 WeakPolarHBondContact O-CA 3.47Å
374	S	94.9	Very high	95.6	Very high	62 Å²	62	24.6 Å²	24.6	43%	0.434	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-62.8	-34.1	-174.2	57.9	0	0	0	0	113.5	C372 L398 N401	C372-S374 PolarHBondContact O-N 3.4Å; S374-L398 PolarHBondContact N-O 2.99Å; S374-N401 PolarHBondContact O-ND2 2.79Å
375	E	95.9	Very high	95.3	Very high	82 Å²	82	26.3 Å²	26.3	38%	0.383	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-92.7	-6.1	-180	-61.1	-55.8	134.8	0	0	112.7	I346 G373 V377	I346-E375 CarbonylContact O-C 3.54Å; I346-E375 WeakPolarHBondContact O-CB 3.34Å; G373-E375 VanDerWaalsContact C-N 3.28Å; G373-E375 PolarHBondContact O-N 2.95Å; E375-V377 PolarHBondContact O-N 2.96Å
376	L	97.4	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.			trans	-72.4	121.3	-169.8	-164.4	69.7	0	0	0	111.5	I346 Q347 L349 L369 G373 L379 N401 L402	I346-L376 HydrophobicContact CG2-CD1 3.78Å; Q347-L376 WeakPolarHBondContact O-CD1 3.27Å; L349-L376 HydrophobicContact CB-CD1 3.65Å; L369-L376 HydrophobicContact CD2-CD2 4.21Å; G373-L376 WeakPolarHBondContact O-CB 3.42Å; G373-L376 PolarHBondContact O-N 2.92Å; G373-L376 VanDerWaalsContact O-N 3.1Å; L376-L379 HydrophobicContact CD2-CB 3.93Å; L376-L379 HydrophobicContact CD2-CD1 4.18Å; L376-L379 HydrophobicContact CD2-CD2 4.04Å; L376-L379 HydrophobicContact CD2-CG 4.26Å; L376-N401 CarbonylContact O-C 3.57Å; L376-L402 HydrophobicContact CD2-CD1 4.32Å; L376-L402 HydrophobicContact CG-CD1 4.27Å; L376-L402 WeakPolarHBondContact O-CA 3.45Å; L376-L402 PolarHBondContact O-N 3.4Å
377	V	97.4	Very high	94.7	Very high	34 Å²	34	26.8 Å²	26.8	21%	0.206	13%	0.132	C	C	.	.			trans	-105.6	-34.1	178.4	179.8	0	0	0	0	111.2	Q347 E375 Q403 E404	Q347-V377 HydrophobicContact CB-CG2 4.45Å; Q347-V377 PolarHBondContact O-N 3.44Å; E375-V377 PolarHBondContact O-N 2.96Å; V377-Q403 HydrophobicContact CG1-CB 3.96Å; V377-Q403 HydrophobicContact CG1-CG 4.13Å; V377-Q403 PolarHBondContact O-N 3.13Å; V377-E404 PolarHBondContact O-N 2.89Å
378	R	97.7	Very high	94.6	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.2	-176.9	178	-174.3	-163.9	120.9	43.3	111	R110 Q347 W348 L349 E380 E404	R110-R378 VanDerWaalsContact CG-NH2 3.26Å; Q347-R378 PolarHBondContact O-N 2.86Å; W348-R378 WeakPolarHBondContact CA-O 3.46Å; W348-R378 HydrophobicContact CB-CB 4.13Å; W348-R378 HydrophobicContact CG-CB 3.87Å; W348-R378 HydrophobicContact CG-CG 4.49Å; L349-R378 PolarHBondContact N-O 3.08Å; R378-E380 HydrophobicContact CG-CG 4.28Å; R378-E380 IonicContact CZ-OE1 3.57Å; R378-E380 VanDerWaalsContact CZ-OE1 3.25Å; R378-E380 IonicContact NE-OE1 2.87Å; R378-E380 PolarHBondContact NE-OE1 2.84Å; R378-E380 IonicContact NH2-OE1 3.46Å; R378-E380 PolarHBondContact NH2-OE1 3.32Å; R378-E404 WeakPolarHBondContact CA-O 3.41Å; R378-E404 HydrophobicContact CB-CB 4.2Å; R378-E404 HydrophobicContact CG-CB 4.02Å; R378-E404 IonicContact CZ-OE2 2.88Å; R378-E404 IonicContact NE-OE2 2.85Å; R378-E404 PolarHBondContact NE-OE2 3.24Å; R378-E404 IonicContact NH1-OE2 3.63Å; R378-E404 PolarHBondContact NH1-OE2 2.9Å; R378-E404 IonicContact NH2-OE2 3.6Å; R378-E404 PolarHBondContact NH2-OE2 2.8Å
379	L	97.9	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115	177.1	-176.8	52.2	0	0	0	111.1	L349 L376 L381 I395 L402 E404 L405 N406	L349-L379 HydrophobicContact CB-CD1 4.13Å; L349-L379 HydrophobicContact CD2-CD1 3.99Å; L349-L379 HydrophobicContact CG-CD1 4.16Å; L349-L379 WeakPolarHBondContact O-CA 3.42Å; L376-L379 HydrophobicContact CD2-CB 3.93Å; L376-L379 HydrophobicContact CD2-CD1 4.18Å; L376-L379 HydrophobicContact CD2-CD2 4.04Å; L376-L379 HydrophobicContact CD2-CG 4.26Å; L379-L381 HydrophobicContact CD1-CD1 4.16Å; L379-L381 HydrophobicContact CD1-CD2 4.13Å; L379-L381 HydrophobicContact CD1-CG 3.89Å; L379-L381 HydrophobicContact CD2-CD1 3.76Å; L379-L381 HydrophobicContact CD2-CG 4.4Å; L379-L381 HydrophobicContact CG-CD1 3.74Å; L379-L381 HydrophobicContact CG-CG 3.86Å; L379-I395 HydrophobicContact CD2-CD1 3.87Å; L379-I395 HydrophobicContact CD2-CG1 3.86Å; L379-I395 HydrophobicContact CD2-CG2 4.14Å; L379-L402 HydrophobicContact CB-CD1 3.74Å; L379-E404 PolarHBondContact N-O 3.48Å; L379-L405 HydrophobicContact CB-CD1 4.21Å; L379-L405 HydrophobicContact CD2-CD1 4.24Å; L379-L405 HydrophobicContact CG-CD1 4.23Å; L379-L405 WeakPolarHBondContact O-CA 3.43Å; L379-N406 PolarHBondContact O-N 2.68Å
380	E	97.6	Very high	94.4	Very high	7 Å²	7	31 Å²	31	3%	0.033	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.8	178.2	-56.9	-81.6	176.8	0	0	109.8	R110 F113 L349 N350 L351 S352 R378 N406	R110-E380 IonicContact CZ-OE1 2.95Å; R110-E380 IonicContact NH1-OE1 2.69Å; R110-E380 PolarHBondContact NH1-OE1 3.15Å; R110-E380 IonicContact NH1-OE2 2.84Å; R110-E380 PolarHBondContact NH1-OE2 3.1Å; F113-E380 HydrophobicContact CE2-CG 4.22Å; F113-E380 HydrophobicContact CZ-CG 4.19Å; L349-E380 PolarHBondContact O-N 3.36Å; N350-E380 HydrophobicContact CB-CB 3.94Å; N350-E380 HydrophobicContact CB-CG 4.39Å; L351-E380 CarbonylContact C-O 3.46Å; L351-E380 PolarHBondContact N-O 3.45Å; S352-E380 PolarHBondContact N-O 2.79Å; R378-E380 HydrophobicContact CG-CG 4.28Å; R378-E380 IonicContact CZ-OE1 3.57Å; R378-E380 VanDerWaalsContact CZ-OE1 3.25Å; R378-E380 IonicContact NE-OE1 2.87Å; R378-E380 PolarHBondContact NE-OE1 2.84Å; R378-E380 IonicContact NH2-OE1 3.46Å; R378-E380 PolarHBondContact NH2-OE1 3.32Å; E380-N406 WeakPolarHBondContact OE2-CB 3.3Å; E380-N406 VanDerWaalsContact OE2-CG 3.31Å; E380-N406 PolarHBondContact OE2-ND2 3.4Å
381	L	96.7	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.			trans	-131.4	28.5	-174.8	-68.1	168.3	0	0	0	112.2	L351 F365 L379 C383 G384 F386 L387 I395 N406 L407 C410	L351-L381 HydrophobicContact CB-CD2 3.7Å; L351-L381 HydrophobicContact CD1-CD2 4.26Å; F365-L381 HydrophobicContact CE2-CD2 4.18Å; F365-L381 HydrophobicContact CZ-CD1 4.33Å; F365-L381 HydrophobicContact CZ-CD2 4.42Å; L379-L381 HydrophobicContact CD1-CD1 4.16Å; L379-L381 HydrophobicContact CD1-CD2 4.13Å; L379-L381 HydrophobicContact CD1-CG 3.89Å; L379-L381 HydrophobicContact CD2-CD1 3.76Å; L379-L381 HydrophobicContact CD2-CG 4.4Å; L379-L381 HydrophobicContact CG-CD1 3.74Å; L379-L381 HydrophobicContact CG-CG 3.86Å; L381-C383 PolarHBondContact O-N 3.3Å; L381-G384 PolarHBondContact O-N 3.32Å; L381-F386 HydrophobicContact CD2-CZ 4.32Å; L381-L387 HydrophobicContact CB-CD1 3.93Å; L381-L387 HydrophobicContact CD1-CD1 4.18Å; L381-L387 HydrophobicContact CD1-CD2 4.07Å; L381-I395 HydrophobicContact CD1-CD1 3.79Å; L381-N406 CarbonylContact C-O 3.57Å; L381-N406 WeakPolarHBondContact CA-O 3.47Å; L381-N406 WeakPolarHBondContact CB-O 3.45Å; L381-N406 PolarHBondContact N-O 2.76Å; L381-L407 HydrophobicContact CB-CD2 4.19Å; L381-L407 HydrophobicContact CD1-CD2 4.05Å; L381-C410 PolarHBondContact O-SG 3.05Å
382	S	95.5	Very high	94.5	Very high	14 Å²	14	21.5 Å²	21.5	10%	0.098	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	135.4	-178.4	-175.8	0	0	0	0	111.4	S352 W353 G384 S408	S352-S382 CarbonylContact C-O 3.58Å; S352-S382 VanDerWaalsContact CA-O 3.22Å; S352-S382 WeakPolarHBondContact CA-O 3.49Å; S352-S382 PolarHBondContact OG-N 2.87Å; W353-S382 PolarHBondContact N-O 3.34Å; S382-G384 PolarHBondContact O-N 3.43Å; S382-S408 CarbonylContact C-O 3.59Å; S382-S408 WeakPolarHBondContact CA-O 3.45Å; S382-S408 WeakPolarHBondContact CB-OG 3.39Å; S382-S408 PolarHBondContact OG-O 3.1Å; S382-S408 PolarHBondContact OG-OG 3.3Å
383	C	93.7	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	34.9	-173.9	-46.1	0	0	0	0	113.8	Y125 N356 L381 H385 S408	Y125-C383 HydrophobicContact CE1-CB 4.16Å; Y125-C383 WeakPolarHBondContact OH-CB 3.35Å; Y125-C383 PolarHBondContact OH-SG 3.24Å; N356-C383 PolarHBondContact OD1-O 2.82Å; L381-C383 PolarHBondContact O-N 3.3Å; C383-H385 PolarHBondContact O-CD2 3.37Å; C383-H385 PolarHBondContact O-N 3.1Å; C383-H385 VanDerWaalsContact O-N 3.17Å; C383-S408 PolarHBondContact N-O 3.29Å
384	G	90.3	Very high	94.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	14%	0.136	C	C	.	.			trans	-82	78.6	174.5	0	0	0	0	0	111.7	L381 S382 F386 L387	L381-G384 PolarHBondContact O-N 3.32Å; S382-G384 PolarHBondContact O-N 3.43Å; G384-F386 PolarHBondContact O-N 2.94Å; G384-F386 VanDerWaalsContact O-N 3.07Å; G384-L387 WeakPolarHBondContact O-CB 3.45Å; G384-L387 WeakPolarHBondContact O-CD1 3.49Å; G384-L387 WeakPolarHBondContact O-CG 3.46Å; G384-L387 PolarHBondContact O-N 3Å; G384-L387 VanDerWaalsContact O-N 3.08Å
385	H	85.8	Confident	94.7	Very high	36 Å²	36	22.6 Å²	22.6	17%	0.167	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.3	-174.8	-57.8	-72.4	0	0	0	115	D59 N356 C383 L387 D411 K412	D59-H385 IonicContact OD1-CE1 3.31Å; D59-H385 IonicContact OD1-NE2 2.95Å; D59-H385 PolarHBondContact OD1-NE2 2.85Å; D59-H385 IonicContact OD2-CD2 2.82Å; D59-H385 IonicContact OD2-NE2 3.41Å; D59-H385 PolarHBondContact OD2-NE2 3.16Å; D59-H385 VanDerWaalsContact OD2-NE2 3.12Å; N356-H385 PolarHBondContact OD1-CD2 3.48Å; C383-H385 PolarHBondContact O-CD2 3.37Å; C383-H385 PolarHBondContact O-N 3.1Å; C383-H385 VanDerWaalsContact O-N 3.17Å; H385-L387 VanDerWaalsContact C-N 3.28Å; H385-D411 IonicContact CE1-OD1 3.56Å; H385-D411 PolarHBondContact CE1-OD1 3.49Å; H385-D411 IonicContact ND1-OD1 3.23Å; H385-D411 PolarHBondContact ND1-OD1 3.28Å; H385-K412 HydrophobicContact CB-CG 4.19Å; H385-K412 WeakPolarHBondContact O-CG 3.44Å
386	F	88.3	Confident	94.7	Very high	24 Å²	24	19.6 Å²	19.6	11%	0.105	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.1	172.7	71.4	-87.2	0	0	0	113.4	T354 I360 F365 L381 G384	T354-F386 WeakPolarHBondContact O-CD1 3.5Å; T354-F386 WeakPolarHBondContact O-CE1 3.37Å; I360-F386 HydrophobicContact CB-CD1 4.5Å; I360-F386 HydrophobicContact CB-CD2 4.4Å; I360-F386 HydrophobicContact CB-CG 4.36Å; I360-F386 HydrophobicContact CD1-CE1 4.38Å; I360-F386 HydrophobicContact CG2-CD2 4.04Å; I360-F386 HydrophobicContact CG2-CE2 3.92Å; I360-F386 HydrophobicContact CG2-CZ 4.27Å; I360-F386 WeakPolarHBondContact O-CB 3.49Å; F365-F386 HydrophobicContact CB-CE2 4.13Å; F365-F386 HydrophobicContact CD1-CE2 4.42Å; F365-F386 AromaticContact CD2-CE2 3.9Å; F365-F386 HydrophobicContact CD2-CE2 3.9Å; F365-F386 HydrophobicContact CD2-CZ 4.12Å; F365-F386 HydrophobicContact CE2-CE2 4.4Å; F365-F386 HydrophobicContact CE2-CZ 4.36Å; F365-F386 AromaticContact CG-CE2 3.9Å; F365-F386 HydrophobicContact CG-CE2 3.9Å; L381-F386 HydrophobicContact CD2-CZ 4.32Å; G384-F386 PolarHBondContact O-N 2.94Å; G384-F386 VanDerWaalsContact O-N 3.07Å
387	L	92.1	Very high	94.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	13%	0.134	C	C	.	.			trans	-70	137.8	-176.2	-63	168.6	0	0	0	111.7	L381 G384 H385 C391 L407 C410 I413	L381-L387 HydrophobicContact CB-CD1 3.93Å; L381-L387 HydrophobicContact CD1-CD1 4.18Å; L381-L387 HydrophobicContact CD1-CD2 4.07Å; G384-L387 WeakPolarHBondContact O-CB 3.45Å; G384-L387 WeakPolarHBondContact O-CD1 3.49Å; G384-L387 WeakPolarHBondContact O-CG 3.46Å; G384-L387 PolarHBondContact O-N 3Å; G384-L387 VanDerWaalsContact O-N 3.08Å; H385-L387 VanDerWaalsContact C-N 3.28Å; L387-C391 HydrophobicContact CD2-CB 3.82Å; L387-L407 HydrophobicContact CD1-CD2 3.96Å; L387-C410 HydrophobicContact CD1-CB 4.36Å; L387-I413 HydrophobicContact CB-CD1 3.93Å; L387-I413 HydrophobicContact CB-CG1 3.76Å; L387-I413 HydrophobicContact CD1-CD1 4.09Å
388	N	92.3	Very high	94.5	Very high	51 Å²	51	26.8 Å²	26.8	27%	0.273	14%	0.136	S	C	.	.			trans	-140.6	-172.7	174.9	66.7	7.8	0	0	0	110.3	V362 T390 C391 L392	V362-N388 VanDerWaalsContact CG2-ND2 3.29Å; V362-N388 WeakPolarHBondContact CG2-ND2 3.33Å; N388-T390 PolarHBondContact O-N 2.53Å; N388-T390 PolarHBondContact OD1-N 3.33Å; N388-C391 WeakPolarHBondContact O-CB 3.4Å; N388-C391 PolarHBondContact O-N 3.27Å; N388-C391 VanDerWaalsContact O-N 3.16Å; N388-C391 PolarHBondContact OD1-N 3.22Å; N388-C391 PolarHBondContact OD1-SG 3.32Å; N388-L392 PolarHBondContact O-N 2.83Å
389	E	95.1	Very high	94.4	Very high	67 Å²	67	26.4 Å²	26.4	31%	0.313	14%	0.135	S	C	.	.	H	α-helix	trans	-56.4	-48.2	179.7	-175.5	166.7	-161.9	0	0	113	C391 L392 E393 P414 A417 H420	E389-C391 PolarHBondContact O-N 3.08Å; E389-L392 PolarHBondContact O-N 3.33Å; E389-E393 PolarHBondContact O-N 3.41Å; E389-P414 HydrophobicContact CB-CG 4.44Å; E389-A417 HydrophobicContact CB-CB 3.74Å; E389-A417 HydrophobicContact CG-CB 3.75Å; E389-H420 IonicContact OE1-NE2 2.79Å
390	T	95.1	Very high	94.3	Very high	62 Å²	62	30.2 Å²	30.2	38%	0.38	16%	0.159	S	C	.	.	H	α-helix	trans	-58.4	-35.6	177	-49.6	0	0	0	0	112.5	V362 N388 L392 E393 V394	V362-T390 HydrophobicContact CG1-CG2 3.71Å; N388-T390 PolarHBondContact O-N 2.53Å; N388-T390 PolarHBondContact OD1-N 3.33Å; T390-L392 VanDerWaalsContact C-N 3.35Å; T390-L392 PolarHBondContact O-N 2.8Å; T390-E393 PolarHBondContact O-N 2.8Å; T390-V394 HydrophobicContact CG2-CG2 4.41Å; T390-V394 WeakPolarHBondContact O-CB 3.38Å; T390-V394 WeakPolarHBondContact O-CG2 3.23Å; T390-V394 PolarHBondContact O-N 3.45Å
391	C	95.4	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-40.5	175.5	-63.8	0	0	0	0	111.8	F365 L387 N388 E389 I395	F365-C391 HydrophobicContact CD1-CB 4.19Å; F365-C391 HydrophobicContact CE1-CB 4.08Å; L387-C391 HydrophobicContact CD2-CB 3.82Å; N388-C391 WeakPolarHBondContact O-CB 3.4Å; N388-C391 PolarHBondContact O-N 3.27Å; N388-C391 VanDerWaalsContact O-N 3.16Å; N388-C391 PolarHBondContact OD1-N 3.22Å; N388-C391 PolarHBondContact OD1-SG 3.32Å; E389-C391 PolarHBondContact O-N 3.08Å; C391-I395 WeakPolarHBondContact O-CD1 3.49Å; C391-I395 VanDerWaalsContact O-CG1 3.24Å; C391-I395 WeakPolarHBondContact O-CG1 3.34Å; C391-I395 PolarHBondContact O-N 3.04Å
392	L	96.3	Very high	94.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-69.8	-39.7	177	-68.9	-175.3	0	0	0	112	N388 E389 T390 V394 I395 T396 L407 I413 A417 H420	N388-L392 PolarHBondContact O-N 2.83Å; E389-L392 PolarHBondContact O-N 3.33Å; T390-L392 VanDerWaalsContact C-N 3.35Å; T390-L392 PolarHBondContact O-N 2.8Å; L392-V394 VanDerWaalsContact C-N 3.34Å; L392-V394 PolarHBondContact O-N 3.01Å; L392-I395 HydrophobicContact CD2-CD1 4.18Å; L392-I395 PolarHBondContact O-N 2.7Å; L392-T396 WeakPolarHBondContact O-CG2 3.36Å; L392-T396 PolarHBondContact O-N 2.95Å; L392-T396 PolarHBondContact O-OG1 2.9Å; L392-L407 HydrophobicContact CD2-CD1 3.87Å; L392-L407 HydrophobicContact CD2-CD2 4.28Å; L392-I413 HydrophobicContact CD1-CG2 3.68Å; L392-A417 HydrophobicContact CD1-CB 3.97Å; L392-A417 WeakPolarHBondContact CD1-O 3.41Å; L392-H420 HydrophobicContact CB-CB 4.34Å
393	E	95.6	Very high	94.3	Very high	66 Å²	66	36 Å²	36	31%	0.308	19%	0.188	S	C	.	.	H	α-helix	trans	-54.2	-52.5	171.8	-73.2	178.7	151.5	0	0	111	E389 T390 I395 T396 E397 H420	E389-E393 PolarHBondContact O-N 3.41Å; T390-E393 PolarHBondContact O-N 2.8Å; E393-I395 VanDerWaalsContact C-N 3.34Å; E393-I395 PolarHBondContact O-N 2.92Å; E393-T396 PolarHBondContact O-N 3.11Å; E393-T396 PolarHBondContact O-OG1 3.38Å; E393-E397 WeakPolarHBondContact O-CG 3.44Å; E393-E397 PolarHBondContact O-N 2.93Å; E393-H420 WeakPolarHBondContact CG-CE1 3.29Å; E393-H420 IonicContact OE1-CE1 2.75Å; E393-H420 PolarHBondContact OE1-CE1 2.84Å; E393-H420 VanDerWaalsContact OE1-CE1 3.27Å; E393-H420 IonicContact OE1-NE2 3.75Å
394	V	96.8	Very high	94.5	Very high	17 Å²	17	37.9 Å²	37.9	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-42.2	179.6	169.4	0	0	0	0	111.8	L369 T390 L392 T396 E397 L398	L369-V394 HydrophobicContact CB-CG1 4.3Å; L369-V394 HydrophobicContact CD1-CG1 4.01Å; T390-V394 HydrophobicContact CG2-CG2 4.41Å; T390-V394 WeakPolarHBondContact O-CB 3.38Å; T390-V394 WeakPolarHBondContact O-CG2 3.23Å; T390-V394 PolarHBondContact O-N 3.45Å; L392-V394 VanDerWaalsContact C-N 3.34Å; L392-V394 PolarHBondContact O-N 3.01Å; V394-T396 VanDerWaalsContact C-N 3.3Å; V394-T396 PolarHBondContact O-N 2.94Å; V394-E397 PolarHBondContact O-N 2.86Å; V394-L398 HydrophobicContact CG1-CD1 3.58Å; V394-L398 HydrophobicContact CG1-CG 4.25Å; V394-L398 VanDerWaalsContact O-CB 3.27Å; V394-L398 WeakPolarHBondContact O-CB 3.4Å; V394-L398 WeakPolarHBondContact O-CG 3.34Å; V394-L398 PolarHBondContact O-N 2.86Å
395	I	97	Very high	94.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-45.8	175	-70.8	161.7	0	0	0	110.1	F365 L369 L379 L381 C391 L392 E393 E397 C399 L402	F365-I395 HydrophobicContact CE1-CD1 4.13Å; F365-I395 HydrophobicContact CE1-CG1 4.03Å; F365-I395 HydrophobicContact CZ-CD1 4.06Å; F365-I395 HydrophobicContact CZ-CG1 4.09Å; L369-I395 HydrophobicContact CD1-CG1 3.74Å; L379-I395 HydrophobicContact CD2-CD1 3.87Å; L379-I395 HydrophobicContact CD2-CG1 3.86Å; L379-I395 HydrophobicContact CD2-CG2 4.14Å; L381-I395 HydrophobicContact CD1-CD1 3.79Å; C391-I395 WeakPolarHBondContact O-CD1 3.49Å; C391-I395 VanDerWaalsContact O-CG1 3.24Å; C391-I395 WeakPolarHBondContact O-CG1 3.34Å; C391-I395 PolarHBondContact O-N 3.04Å; L392-I395 HydrophobicContact CD2-CD1 4.18Å; L392-I395 PolarHBondContact O-N 2.7Å; E393-I395 VanDerWaalsContact C-N 3.34Å; E393-I395 PolarHBondContact O-N 2.92Å; I395-E397 VanDerWaalsContact C-N 3.35Å; I395-E397 PolarHBondContact O-N 2.81Å; I395-C399 WeakPolarHBondContact O-CA 3.36Å; I395-C399 WeakPolarHBondContact O-CB 3.35Å; I395-C399 PolarHBondContact O-N 2.95Å; I395-C399 PolarHBondContact O-SG 3.18Å; I395-L402 HydrophobicContact CG2-CD2 3.8Å
396	T	94	Very high	95.4	Very high	19 Å²	19	36.6 Å²	36.6	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-72.5	-27.2	-175.6	64.6	0	0	0	0	113.5	L392 E393 V394 H420 V424	L392-T396 WeakPolarHBondContact O-CG2 3.36Å; L392-T396 PolarHBondContact O-N 2.95Å; L392-T396 PolarHBondContact O-OG1 2.9Å; E393-T396 PolarHBondContact O-N 3.11Å; E393-T396 PolarHBondContact O-OG1 3.38Å; V394-T396 VanDerWaalsContact C-N 3.3Å; V394-T396 PolarHBondContact O-N 2.94Å; T396-H420 HydrophobicContact CG2-CB 4Å; T396-H420 WeakPolarHBondContact CG2-O 3.44Å; T396-V424 HydrophobicContact CG2-CG2 3.77Å
397	E	94.8	Very high	95.8	Very high	138 Å²	138	35.5 Å²	35.5	65%	0.645	19%	0.186	S	C	*	.	H	α-helix	trans	-84.3	-37.7	177.3	-71.3	179.9	177.2	0	0	112.8	E393 V394 I395	E393-E397 WeakPolarHBondContact O-CG 3.44Å; E393-E397 PolarHBondContact O-N 2.93Å; V394-E397 PolarHBondContact O-N 2.86Å; I395-E397 VanDerWaalsContact C-N 3.35Å; I395-E397 PolarHBondContact O-N 2.81Å
398	L	96.2	Very high	96	Very high	47 Å²	47	35.9 Å²	35.9	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-98.2	-15.5	-171.9	-57.5	-177.1	0	0	0	114	L369 K370 G373 S374 V394 P400	L369-L398 HydrophobicContact CB-CD1 4.02Å; K370-L398 HydrophobicContact CB-CD1 4.36Å; K370-L398 HydrophobicContact CG-CD1 3.59Å; K370-L398 HydrophobicContact CG-CD2 4.43Å; G373-L398 CarbonylContact C-O 3.56Å; G373-L398 WeakPolarHBondContact CA-O 3.27Å; S374-L398 PolarHBondContact N-O 2.99Å; V394-L398 HydrophobicContact CG1-CD1 3.58Å; V394-L398 HydrophobicContact CG1-CG 4.25Å; V394-L398 VanDerWaalsContact O-CB 3.27Å; V394-L398 WeakPolarHBondContact O-CB 3.4Å; V394-L398 WeakPolarHBondContact O-CG 3.34Å; V394-L398 PolarHBondContact O-N 2.86Å; L398-P400 VanDerWaalsContact O-CD 3.22Å; L398-P400 WeakPolarHBondContact O-CD 3.36Å
399	C	96.7	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.			trans	-118	68.3	-175.9	-46.7	0	0	0	0	112.3	G373 I395 N401 L402	G373-C399 WeakPolarHBondContact O-CA 3.47Å; I395-C399 WeakPolarHBondContact O-CA 3.36Å; I395-C399 WeakPolarHBondContact O-CB 3.35Å; I395-C399 PolarHBondContact O-N 2.95Å; I395-C399 PolarHBondContact O-SG 3.18Å; C399-N401 VanDerWaalsContact C-N 3.28Å; C399-N401 PolarHBondContact O-N 2.95Å; C399-L402 HydrophobicContact CB-CB 4.05Å; C399-L402 WeakPolarHBondContact O-CB 3.43Å; C399-L402 PolarHBondContact O-N 3.04Å
400	P	94.3	Very high	95.9	Very high	80 Å²	80	30.5 Å²	30.5	52%	0.519	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.4	-176.2	28.1	-35.9	0	0	0	113.7	L398 L402 S426	L398-P400 VanDerWaalsContact O-CD 3.22Å; L398-P400 WeakPolarHBondContact O-CD 3.36Å; P400-L402 VanDerWaalsContact C-N 3.34Å; P400-S426 PolarHBondContact O-OG 3.1Å
401	N	95.4	Very high	95.4	Very high	86 Å²	86	30 Å²	30	46%	0.46	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.7	-177	-67.2	-45.3	0	0	0	113.6	S374 L376 C399 Q403	S374-N401 PolarHBondContact O-ND2 2.79Å; L376-N401 CarbonylContact O-C 3.57Å; C399-N401 VanDerWaalsContact C-N 3.28Å; C399-N401 PolarHBondContact O-N 2.95Å; N401-Q403 PolarHBondContact O-N 3.05Å
402	L	97.7	Very high	95	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.			trans	-66.5	121.7	-174	-171.7	71.7	0	0	0	111.3	L376 L379 I395 C399 P400 L405 V424 S426 L427	L376-L402 HydrophobicContact CD2-CD1 4.32Å; L376-L402 HydrophobicContact CG-CD1 4.27Å; L376-L402 WeakPolarHBondContact O-CA 3.45Å; L376-L402 PolarHBondContact O-N 3.4Å; L379-L402 HydrophobicContact CB-CD1 3.74Å; I395-L402 HydrophobicContact CG2-CD2 3.8Å; C399-L402 HydrophobicContact CB-CB 4.05Å; C399-L402 WeakPolarHBondContact O-CB 3.43Å; C399-L402 PolarHBondContact O-N 3.04Å; P400-L402 VanDerWaalsContact C-N 3.34Å; L402-L405 HydrophobicContact CD2-CB 4.17Å; L402-L405 HydrophobicContact CD2-CD1 4.36Å; L402-L405 HydrophobicContact CD2-CD2 4.45Å; L402-V424 HydrophobicContact CB-CG1 4.01Å; L402-V424 WeakPolarHBondContact O-CG1 3.25Å; L402-S426 PolarHBondContact O-OG 2.54Å; L402-S426 VanDerWaalsContact O-OG 3.1Å; L402-L427 HydrophobicContact CD2-CD2 4.46Å; L402-L427 HydrophobicContact CG-CD2 4.32Å
403	Q	97.4	Very high	94.8	Very high	56 Å²	56	36.3 Å²	36.3	26%	0.262	19%	0.185	S	C	.	.			trans	-110.5	-27	-179.8	-68.2	173.6	45.8	0	0	112.3	V377 N401 K428 R429	V377-Q403 HydrophobicContact CG1-CB 3.96Å; V377-Q403 HydrophobicContact CG1-CG 4.13Å; V377-Q403 PolarHBondContact O-N 3.13Å; N401-Q403 PolarHBondContact O-N 3.05Å; Q403-K428 HydrophobicContact CB-CD 4.41Å; Q403-K428 HydrophobicContact CB-CG 4.44Å; Q403-K428 HydrophobicContact CG-CD 4.43Å; Q403-K428 PolarHBondContact O-N 2.92Å; Q403-K428 VanDerWaalsContact OE1-CE 3.29Å; Q403-R429 PolarHBondContact O-N 2.88Å
404	E	97.8	Very high	94.7	Very high	39 Å²	39	34.9 Å²	34.9	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.7	-179.6	-51.5	-157.8	147.7	0	0	111.2	V377 R378 L379 R429	V377-E404 PolarHBondContact O-N 2.89Å; R378-E404 WeakPolarHBondContact CA-O 3.41Å; R378-E404 HydrophobicContact CB-CB 4.2Å; R378-E404 HydrophobicContact CG-CB 4.02Å; R378-E404 IonicContact CZ-OE2 2.88Å; R378-E404 IonicContact NE-OE2 2.85Å; R378-E404 PolarHBondContact NE-OE2 3.24Å; R378-E404 IonicContact NH1-OE2 3.63Å; R378-E404 PolarHBondContact NH1-OE2 2.9Å; R378-E404 IonicContact NH2-OE2 3.6Å; R378-E404 PolarHBondContact NH2-OE2 2.8Å; L379-E404 PolarHBondContact N-O 3.48Å; E404-R429 WeakPolarHBondContact CA-O 3.23Å; E404-R429 HydrophobicContact CB-CB 4.05Å; E404-R429 HydrophobicContact CG-CB 3.84Å; E404-R429 IonicContact OE1-CZ 3.66Å; E404-R429 IonicContact OE1-NE 3.89Å; E404-R429 PolarHBondContact OE1-NE 3.16Å; E404-R429 IonicContact OE1-NH2 2.72Å; E404-R429 IonicContact OE2-NE 3.99Å
405	L	98	Very high	94.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.7	177.3	-179.8	59.4	0	0	0	110.7	L379 L402 L407 I421 L427 R429 L430 I431	L379-L405 HydrophobicContact CB-CD1 4.21Å; L379-L405 HydrophobicContact CD2-CD1 4.24Å; L379-L405 HydrophobicContact CG-CD1 4.23Å; L379-L405 WeakPolarHBondContact O-CA 3.43Å; L402-L405 HydrophobicContact CD2-CB 4.17Å; L402-L405 HydrophobicContact CD2-CD1 4.36Å; L402-L405 HydrophobicContact CD2-CD2 4.45Å; L405-L407 HydrophobicContact CD1-CD2 4.15Å; L405-L407 HydrophobicContact CD1-CG 4.16Å; L405-L407 HydrophobicContact CD2-CD1 4Å; L405-L407 HydrophobicContact CD2-CG 4.33Å; L405-L407 HydrophobicContact CG-CD1 4.24Å; L405-L407 HydrophobicContact CG-CG 4.03Å; L405-I421 HydrophobicContact CD2-CD1 4.24Å; L405-I421 HydrophobicContact CD2-CG1 4.3Å; L405-I421 HydrophobicContact CD2-CG2 4.46Å; L405-L427 HydrophobicContact CB-CD2 4.03Å; L405-R429 PolarHBondContact N-O 3.48Å; L405-L430 HydrophobicContact CB-CD1 4.2Å; L405-L430 HydrophobicContact CD2-CD1 4.27Å; L405-L430 HydrophobicContact CG-CD1 4.32Å; L405-L430 WeakPolarHBondContact O-CA 3.33Å; L405-I431 PolarHBondContact O-N 2.96Å
406	N	97.6	Very high	94.3	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.3	174.8	179.6	6.2	0	0	0	111	L379 E380 L381 S408 I431	L379-N406 PolarHBondContact O-N 2.68Å; E380-N406 WeakPolarHBondContact OE2-CB 3.3Å; E380-N406 VanDerWaalsContact OE2-CG 3.31Å; E380-N406 PolarHBondContact OE2-ND2 3.4Å; L381-N406 CarbonylContact C-O 3.57Å; L381-N406 WeakPolarHBondContact CA-O 3.47Å; L381-N406 WeakPolarHBondContact CB-O 3.45Å; L381-N406 PolarHBondContact N-O 2.76Å; N406-S408 VanDerWaalsContact OD1-CB 3.26Å; N406-S408 WeakPolarHBondContact OD1-CB 3.47Å; N406-S408 PolarHBondContact OD1-N 3.05Å; N406-S408 PolarHBondContact OD1-OG 3.24Å; N406-I431 HydrophobicContact CB-CB 4.14Å; N406-I431 HydrophobicContact CB-CD1 4.23Å; N406-I431 WeakPolarHBondContact OD1-CG2 3.39Å
407	L	97.1	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.			trans	-119.4	24.7	178.1	-61.3	171.8	0	0	0	111.2	L381 L387 L392 L405 S409 C410 I413 F418 I421 I431 L432 T435	L381-L407 HydrophobicContact CB-CD2 4.19Å; L381-L407 HydrophobicContact CD1-CD2 4.05Å; L387-L407 HydrophobicContact CD1-CD2 3.96Å; L392-L407 HydrophobicContact CD2-CD1 3.87Å; L392-L407 HydrophobicContact CD2-CD2 4.28Å; L405-L407 HydrophobicContact CD1-CD2 4.15Å; L405-L407 HydrophobicContact CD1-CG 4.16Å; L405-L407 HydrophobicContact CD2-CD1 4Å; L405-L407 HydrophobicContact CD2-CG 4.33Å; L405-L407 HydrophobicContact CG-CD1 4.24Å; L405-L407 HydrophobicContact CG-CG 4.03Å; L407-S409 PolarHBondContact O-N 2.61Å; L407-C410 VanDerWaalsContact O-CB 3.29Å; L407-C410 WeakPolarHBondContact O-CB 3.49Å; L407-C410 PolarHBondContact O-N 2.97Å; L407-C410 PolarHBondContact O-SG 2.57Å; L407-C410 VanDerWaalsContact O-SG 3.37Å; L407-I413 HydrophobicContact CD1-CD1 4.46Å; L407-I413 HydrophobicContact CD2-CD1 4.21Å; L407-F418 HydrophobicContact CD1-CD1 4.43Å; L407-F418 HydrophobicContact CD1-CE1 4.03Å; L407-I421 HydrophobicContact CD1-CD1 3.74Å; L407-I431 PolarHBondContact N-O 3.05Å; L407-L432 HydrophobicContact CB-CD2 4.19Å; L407-L432 HydrophobicContact CD1-CD2 4.16Å; L407-T435 WeakPolarHBondContact O-CG2 3.31Å
408	S	95.6	Very high	94.5	Very high	11 Å²	11	32 Å²	32	8%	0.077	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	137.2	-179.4	46.8	0	0	0	0	112.1	S382 C383 N406 C410 Y433	S382-S408 CarbonylContact C-O 3.59Å; S382-S408 WeakPolarHBondContact CA-O 3.45Å; S382-S408 WeakPolarHBondContact CB-OG 3.39Å; S382-S408 PolarHBondContact OG-O 3.1Å; S382-S408 PolarHBondContact OG-OG 3.3Å; C383-S408 PolarHBondContact N-O 3.29Å; N406-S408 VanDerWaalsContact OD1-CB 3.26Å; N406-S408 WeakPolarHBondContact OD1-CB 3.47Å; N406-S408 PolarHBondContact OD1-N 3.05Å; N406-S408 PolarHBondContact OD1-OG 3.24Å; S408-C410 PolarHBondContact O-N 3.02Å; S408-C410 VanDerWaalsContact O-N 3.14Å; S408-Y433 CarbonylContact C-O 3.6Å; S408-Y433 VanDerWaalsContact CA-O 3.28Å; S408-Y433 WeakPolarHBondContact CA-O 2.99Å
409	S	93.3	Very high	94.4	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.028	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.1	178.9	-58.5	0	0	0	0	114.2	S61 L407 D411 Y433	S61-S409 PolarHBondContact O-OG 3.17Å; L407-S409 PolarHBondContact O-N 2.61Å; S409-D411 PolarHBondContact O-N 2.92Å; S409-Y433 PolarHBondContact N-O 3.4Å
410	C	92.5	Very high	94.4	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.177	C	C	.	.			trans	-86.3	79.1	172.7	-64.6	0	0	0	0	111.2	L381 L387 L407 S408 K412 I413	L381-C410 PolarHBondContact O-SG 3.05Å; L387-C410 HydrophobicContact CD1-CB 4.36Å; L407-C410 VanDerWaalsContact O-CB 3.29Å; L407-C410 WeakPolarHBondContact O-CB 3.49Å; L407-C410 PolarHBondContact O-N 2.97Å; L407-C410 PolarHBondContact O-SG 2.57Å; L407-C410 VanDerWaalsContact O-SG 3.37Å; S408-C410 PolarHBondContact O-N 3.02Å; S408-C410 VanDerWaalsContact O-N 3.14Å; C410-K412 PolarHBondContact O-N 2.82Å; C410-I413 HydrophobicContact CB-CD1 3.58Å; C410-I413 HydrophobicContact CB-CG1 4.06Å
411	D	83.7	Confident	94.5	Very high	52 Å²	52	30.2 Å²	30.2	28%	0.278	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.8	-171.3	75.9	-43.5	0	0	0	115.5	H385 S409 K436	H385-D411 IonicContact CE1-OD1 3.56Å; H385-D411 PolarHBondContact CE1-OD1 3.49Å; H385-D411 IonicContact ND1-OD1 3.23Å; H385-D411 PolarHBondContact ND1-OD1 3.28Å; S409-D411 PolarHBondContact O-N 2.92Å; D411-K436 PolarHBondContact O-NZ 3.35Å
412	K	86.9	Confident	94.5	Very high	130 Å²	130	26.7 Å²	26.7	57%	0.565	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.7	179.8	-61.1	-54.5	-179.4	-171.1	0	114.3	H385 C410 P414	H385-K412 HydrophobicContact CB-CG 4.19Å; H385-K412 WeakPolarHBondContact O-CG 3.44Å; C410-K412 PolarHBondContact O-N 2.82Å; K412-P414 WeakPolarHBondContact O-CD 3.39Å
413	I	93	Very high	94.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.165	C	C	.	.	S	Bend	trans	-67	126.1	176.6	-60.8	177.3	0	0	0	108.4	L387 L392 L407 C410 A417 F418	L387-I413 HydrophobicContact CB-CD1 3.93Å; L387-I413 HydrophobicContact CB-CG1 3.76Å; L387-I413 HydrophobicContact CD1-CD1 4.09Å; L392-I413 HydrophobicContact CD1-CG2 3.68Å; L407-I413 HydrophobicContact CD1-CD1 4.46Å; L407-I413 HydrophobicContact CD2-CD1 4.21Å; C410-I413 HydrophobicContact CB-CD1 3.58Å; C410-I413 HydrophobicContact CB-CG1 4.06Å; I413-A417 HydrophobicContact CG2-CB 4.03Å; I413-F418 HydrophobicContact CB-CE2 3.98Å; I413-F418 HydrophobicContact CB-CZ 3.93Å; I413-F418 HydrophobicContact CD1-CE1 4.49Å; I413-F418 HydrophobicContact CD1-CZ 4.22Å; I413-F418 HydrophobicContact CG2-CD2 4.09Å; I413-F418 HydrophobicContact CG2-CE1 4.41Å; I413-F418 HydrophobicContact CG2-CE2 3.57Å; I413-F418 HydrophobicContact CG2-CZ 3.75Å
414	P	93.7	Very high	94.2	Very high	36 Å²	36	31 Å²	31	23%	0.234	15%	0.154	C	C	.	.			trans	-59.4	136.9	174.2	-23.2	34	0	0	0	111.2	E389 K412 Q416 A417	E389-P414 HydrophobicContact CB-CG 4.44Å; K412-P414 WeakPolarHBondContact O-CD 3.39Å; P414-Q416 VanDerWaalsContact C-N 3.29Å; P414-Q416 VanDerWaalsContact CB-NE2 3.34Å; P414-Q416 PolarHBondContact O-N 3Å; P414-A417 HydrophobicContact CB-CB 4.37Å; P414-A417 VanDerWaalsContact O-CB 3.27Å; P414-A417 WeakPolarHBondContact O-CB 3.31Å; P414-A417 PolarHBondContact O-N 3.11Å
415	P	93.7	Very high	93.9	Very high	26 Å²	26	30.7 Å²	30.7	17%	0.169	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-53.6	-39.6	-176.4	-29.9	36.9	0	0	0	115.1	A417 F418 K436 E438	P415-A417 VanDerWaalsContact C-N 3.26Å; P415-A417 PolarHBondContact O-N 2.87Å; P415-F418 WeakPolarHBondContact O-CD2 3.18Å; P415-K436 WeakPolarHBondContact CA-O 3.42Å; P415-K436 VanDerWaalsContact CB-O 3.23Å; P415-K436 WeakPolarHBondContact CB-O 3.21Å; P415-K436 HydrophobicContact CG-CB 4.1Å; P415-E438 HydrophobicContact CB-CG 3.72Å; P415-E438 VanDerWaalsContact CB-OE1 3.31Å; P415-E438 WeakPolarHBondContact CB-OE1 3.36Å
416	Q	91.1	Very high	93.8	Very high	89 Å²	89	32.4 Å²	32.4	42%	0.416	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-67.4	-25.8	179	68.4	-80.8	6.1	0	0	113.2	P414 F418 N419	P414-Q416 VanDerWaalsContact C-N 3.29Å; P414-Q416 VanDerWaalsContact CB-NE2 3.34Å; P414-Q416 PolarHBondContact O-N 3Å; Q416-F418 PolarHBondContact O-N 3.41Å; Q416-N419 WeakPolarHBondContact O-CB 3.47Å; Q416-N419 PolarHBondContact O-N 3.42Å; Q416-N419 VanDerWaalsContact O-N 3.15Å
417	A	95.5	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-68.1	-20.4	-175.4	0	0	0	0	0	112.8	E389 L392 I413 P414 P415 N419 H420	E389-A417 HydrophobicContact CB-CB 3.74Å; E389-A417 HydrophobicContact CG-CB 3.75Å; L392-A417 HydrophobicContact CD1-CB 3.97Å; L392-A417 WeakPolarHBondContact CD1-O 3.41Å; I413-A417 HydrophobicContact CG2-CB 4.03Å; P414-A417 HydrophobicContact CB-CB 4.37Å; P414-A417 VanDerWaalsContact O-CB 3.27Å; P414-A417 WeakPolarHBondContact O-CB 3.31Å; P414-A417 PolarHBondContact O-N 3.11Å; P415-A417 VanDerWaalsContact C-N 3.26Å; P415-A417 PolarHBondContact O-N 2.87Å; A417-N419 PolarHBondContact O-N 2.83Å; A417-N419 VanDerWaalsContact O-N 3.16Å; A417-H420 PolarHBondContact O-CD2 2.88Å; A417-H420 PolarHBondContact O-N 3.22Å; A417-H420 VanDerWaalsContact O-N 3.15Å
418	F	96.5	Very high	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.3	-21.5	175.3	-70.8	-85.5	0	0	0	112.5	L407 I413 P415 Q416 H420 I421 L432 T435 V437 A441	L407-F418 HydrophobicContact CD1-CD1 4.43Å; L407-F418 HydrophobicContact CD1-CE1 4.03Å; I413-F418 HydrophobicContact CB-CE2 3.98Å; I413-F418 HydrophobicContact CB-CZ 3.93Å; I413-F418 HydrophobicContact CD1-CE1 4.49Å; I413-F418 HydrophobicContact CD1-CZ 4.22Å; I413-F418 HydrophobicContact CG2-CD2 4.09Å; I413-F418 HydrophobicContact CG2-CE1 4.41Å; I413-F418 HydrophobicContact CG2-CE2 3.57Å; I413-F418 HydrophobicContact CG2-CZ 3.75Å; P415-F418 WeakPolarHBondContact O-CD2 3.18Å; Q416-F418 PolarHBondContact O-N 3.41Å; F418-H420 PolarHBondContact O-N 3.04Å; F418-H420 VanDerWaalsContact O-N 3.17Å; F418-I421 HydrophobicContact CD1-CD1 3.81Å; F418-I421 WeakPolarHBondContact O-CB 3.37Å; F418-I421 WeakPolarHBondContact O-CG1 3.39Å; F418-I421 PolarHBondContact O-N 3.28Å; F418-I421 VanDerWaalsContact O-N 3.1Å; F418-L432 HydrophobicContact CD1-CD2 3.98Å; F418-L432 HydrophobicContact CE1-CD2 3.8Å; F418-T435 HydrophobicContact CE1-CG2 4.39Å; F418-T435 HydrophobicContact CZ-CG2 4.19Å; F418-V437 HydrophobicContact CB-CB 4.32Å; F418-V437 HydrophobicContact CB-CG2 3.74Å; F418-V437 HydrophobicContact CD1-CB 4.12Å; F418-V437 HydrophobicContact CD1-CG2 4.25Å; F418-V437 HydrophobicContact CD2-CB 4.02Å; F418-V437 HydrophobicContact CD2-CG2 4.36Å; F418-V437 HydrophobicContact CE1-CB 4.49Å; F418-V437 HydrophobicContact CE2-CB 4.38Å; F418-V437 HydrophobicContact CG-CB 3.88Å; F418-V437 HydrophobicContact CG-CG2 3.86Å; F418-A441 HydrophobicContact CB-CB 4.01Å
419	N	95.3	Very high	93.9	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.332	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-57.5	-29.3	174.4	-97.6	-41.2	0	0	0	113.4	Q416 A417 I421 A422 A441 S444	Q416-N419 WeakPolarHBondContact O-CB 3.47Å; Q416-N419 PolarHBondContact O-N 3.42Å; Q416-N419 VanDerWaalsContact O-N 3.15Å; A417-N419 PolarHBondContact O-N 2.83Å; A417-N419 VanDerWaalsContact O-N 3.16Å; N419-I421 PolarHBondContact O-N 3.48Å; N419-A422 VanDerWaalsContact O-CB 3.27Å; N419-A422 WeakPolarHBondContact O-CB 3.43Å; N419-A422 PolarHBondContact O-N 2.9Å; N419-A422 VanDerWaalsContact O-N 3.13Å; N419-A441 HydrophobicContact CB-CB 4.46Å; N419-A441 VanDerWaalsContact OD1-CA 3.24Å; N419-A441 WeakPolarHBondContact OD1-CA 3.41Å; N419-S444 WeakPolarHBondContact OD1-CB 3.37Å; N419-S444 PolarHBondContact OD1-OG 2.73Å
420	H	95.9	Very high	94.1	Very high	27 Å²	27	35.5 Å²	35.5	13%	0.125	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31.6	179.1	-68.4	-80.6	0	0	0	112.1	E389 L392 E393 T396 A417 F418 A422 K423	E389-H420 IonicContact OE1-NE2 2.79Å; L392-H420 HydrophobicContact CB-CB 4.34Å; E393-H420 WeakPolarHBondContact CG-CE1 3.29Å; E393-H420 IonicContact OE1-CE1 2.75Å; E393-H420 PolarHBondContact OE1-CE1 2.84Å; E393-H420 VanDerWaalsContact OE1-CE1 3.27Å; E393-H420 IonicContact OE1-NE2 3.75Å; T396-H420 HydrophobicContact CG2-CB 4Å; T396-H420 WeakPolarHBondContact CG2-O 3.44Å; A417-H420 PolarHBondContact O-CD2 2.88Å; A417-H420 PolarHBondContact O-N 3.22Å; A417-H420 VanDerWaalsContact O-N 3.15Å; F418-H420 PolarHBondContact O-N 3.04Å; F418-H420 VanDerWaalsContact O-N 3.17Å; H420-A422 PolarHBondContact O-N 3.23Å; H420-A422 VanDerWaalsContact O-N 3.14Å; H420-K423 WeakPolarHBondContact O-CB 3.47Å; H420-K423 WeakPolarHBondContact O-CG 3.46Å; H420-K423 PolarHBondContact O-N 2.84Å
421	I	96.4	Very high	94.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29.2	179.8	-58.9	174.8	0	0	0	111.5	L405 L407 F418 N419 K423 V424 L427 L430 L432 I445	L405-I421 HydrophobicContact CD2-CD1 4.24Å; L405-I421 HydrophobicContact CD2-CG1 4.3Å; L405-I421 HydrophobicContact CD2-CG2 4.46Å; L407-I421 HydrophobicContact CD1-CD1 3.74Å; F418-I421 HydrophobicContact CD1-CD1 3.81Å; F418-I421 WeakPolarHBondContact O-CB 3.37Å; F418-I421 WeakPolarHBondContact O-CG1 3.39Å; F418-I421 PolarHBondContact O-N 3.28Å; F418-I421 VanDerWaalsContact O-N 3.1Å; N419-I421 PolarHBondContact O-N 3.48Å; I421-K423 PolarHBondContact O-N 2.75Å; I421-V424 PolarHBondContact O-N 2.65Å; I421-L427 HydrophobicContact CG2-CD1 3.47Å; I421-L427 VanDerWaalsContact CG2-CD1 3.47Å; I421-L430 HydrophobicContact CD1-CD1 4.48Å; I421-L430 HydrophobicContact CG2-CD1 4.36Å; I421-L430 HydrophobicContact CG2-CD2 4.26Å; I421-L432 HydrophobicContact CD1-CD2 4.5Å; I421-I445 HydrophobicContact CB-CD1 3.92Å; I421-I445 HydrophobicContact CB-CG1 4.01Å; I421-I445 HydrophobicContact CD1-CD1 4.33Å; I421-I445 HydrophobicContact CG2-CD1 4.15Å; I421-I445 HydrophobicContact CG2-CG1 4.19Å; I421-I445 HydrophobicContact CG2-CG2 4.37Å
422	A	95.3	Very high	95	Very high	13 Å²	13	33.9 Å²	33.9	11%	0.107	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60.5	-18.3	177.6	0	0	0	0	0	113.6	N419 H420 V424 I445 F448	N419-A422 VanDerWaalsContact O-CB 3.27Å; N419-A422 WeakPolarHBondContact O-CB 3.43Å; N419-A422 PolarHBondContact O-N 2.9Å; N419-A422 VanDerWaalsContact O-N 3.13Å; H420-A422 PolarHBondContact O-N 3.23Å; H420-A422 VanDerWaalsContact O-N 3.14Å; A422-V424 VanDerWaalsContact C-N 3.26Å; A422-V424 PolarHBondContact O-N 3.43Å; A422-I445 HydrophobicContact CB-CG1 4.27Å; A422-F448 HydrophobicContact CB-CD2 4.02Å; A422-F448 VanDerWaalsContact O-CB 3.27Å; A422-F448 WeakPolarHBondContact O-CB 3.5Å
423	K	94.8	Very high	95.4	Very high	138 Å²	138	28.2 Å²	28.2	60%	0.6	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-72.6	-17.9	174.4	-60.8	-179.9	-176.8	-178.5	0	113	H420 I421 G425	H420-K423 WeakPolarHBondContact O-CB 3.47Å; H420-K423 WeakPolarHBondContact O-CG 3.46Å; H420-K423 PolarHBondContact O-N 2.84Å; I421-K423 PolarHBondContact O-N 2.75Å; K423-G425 PolarHBondContact O-N 3.32Å
424	V	94	Very high	95.4	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.042	16%	0.157	C	C	.	.			trans	-96.5	71.8	-177.3	-165.6	0	0	0	0	110	T396 L402 I421 A422 S426 L427 C449	T396-V424 HydrophobicContact CG2-CG2 3.77Å; L402-V424 HydrophobicContact CB-CG1 4.01Å; L402-V424 WeakPolarHBondContact O-CG1 3.25Å; I421-V424 PolarHBondContact O-N 2.65Å; A422-V424 VanDerWaalsContact C-N 3.26Å; A422-V424 PolarHBondContact O-N 3.43Å; V424-S426 PolarHBondContact O-N 3.44Å; V424-S426 VanDerWaalsContact O-N 3.08Å; V424-L427 HydrophobicContact CB-CD1 3.99Å; V424-L427 HydrophobicContact CB-CG 3.99Å; V424-L427 HydrophobicContact CG1-CD1 4.3Å; V424-L427 HydrophobicContact CG1-CD2 4.24Å; V424-L427 HydrophobicContact CG1-CG 3.77Å; V424-L427 WeakPolarHBondContact O-CG 3.46Å; V424-L427 PolarHBondContact O-N 3.28Å; V424-C449 PolarHBondContact O-SG 3.23Å
425	G	92.1	Very high	95.4	Very high	33 Å²	33	28.2 Å²	28.2	34%	0.34	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.8	-176.4	0	0	0	0	0	115.3	K423 L427	K423-G425 PolarHBondContact O-N 3.32Å; G425-L427 VanDerWaalsContact C-N 3.31Å
426	S	95.3	Very high	95.4	Very high	41 Å²	41	30.7 Å²	30.7	29%	0.287	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.5	178	47.7	0	0	0	0	114.1	P400 L402 V424 K428	P400-S426 PolarHBondContact O-OG 3.1Å; L402-S426 PolarHBondContact O-OG 2.54Å; L402-S426 VanDerWaalsContact O-OG 3.1Å; V424-S426 PolarHBondContact O-N 3.44Å; V424-S426 VanDerWaalsContact O-N 3.08Å; S426-K428 PolarHBondContact O-N 3.03Å
427	L	97.7	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.			trans	-61.9	125.4	-177.9	-77.5	173	0	0	0	112.6	L402 L405 I421 V424 G425 C449 E451 L452	L402-L427 HydrophobicContact CD2-CD2 4.46Å; L402-L427 HydrophobicContact CG-CD2 4.32Å; L405-L427 HydrophobicContact CB-CD2 4.03Å; I421-L427 HydrophobicContact CG2-CD1 3.47Å; I421-L427 VanDerWaalsContact CG2-CD1 3.47Å; V424-L427 HydrophobicContact CB-CD1 3.99Å; V424-L427 HydrophobicContact CB-CG 3.99Å; V424-L427 HydrophobicContact CG1-CD1 4.3Å; V424-L427 HydrophobicContact CG1-CD2 4.24Å; V424-L427 HydrophobicContact CG1-CG 3.77Å; V424-L427 WeakPolarHBondContact O-CG 3.46Å; V424-L427 PolarHBondContact O-N 3.28Å; G425-L427 VanDerWaalsContact C-N 3.31Å; L427-C449 HydrophobicContact CB-CB 4.42Å; L427-E451 CarbonylContact O-C 3.59Å; L427-E451 VanDerWaalsContact O-C 3.31Å; L427-L452 HydrophobicContact CB-CD2 4.22Å; L427-L452 PolarHBondContact O-N 2.84Å
428	K	97.4	Very high	95.6	Very high	68 Å²	68	29.8 Å²	29.8	30%	0.296	15%	0.151	S	C	.	.	S	Bend	trans	-105.2	-26.6	172.1	-64.2	178.3	-176.9	166.2	0	112.2	Q403 S426 Q453 H454	Q403-K428 HydrophobicContact CB-CD 4.41Å; Q403-K428 HydrophobicContact CB-CG 4.44Å; Q403-K428 HydrophobicContact CG-CD 4.43Å; Q403-K428 PolarHBondContact O-N 2.92Å; Q403-K428 VanDerWaalsContact OE1-CE 3.29Å; S426-K428 PolarHBondContact O-N 3.03Å; K428-Q453 HydrophobicContact CB-CG 4.43Å; K428-Q453 WeakPolarHBondContact O-CA 3.43Å; K428-Q453 PolarHBondContact O-N 2.9Å; K428-H454 PolarHBondContact O-N 2.95Å
429	R	97.8	Very high	95.5	Very high	19 Å²	19	31.6 Å²	31.6	7%	0.072	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.5	-179.8	-179.5	179	-53.6	-92.4	3	110.9	S108 Q403 E404 L405 I431 H454	S108-R429 PolarHBondContact O-NH1 2.72Å; S108-R429 PolarHBondContact O-NH2 3.37Å; Q403-R429 PolarHBondContact O-N 2.88Å; E404-R429 WeakPolarHBondContact CA-O 3.23Å; E404-R429 HydrophobicContact CB-CB 4.05Å; E404-R429 HydrophobicContact CG-CB 3.84Å; E404-R429 IonicContact OE1-CZ 3.66Å; E404-R429 IonicContact OE1-NE 3.89Å; E404-R429 PolarHBondContact OE1-NE 3.16Å; E404-R429 IonicContact OE1-NH2 2.72Å; E404-R429 IonicContact OE2-NE 3.99Å; L405-R429 PolarHBondContact N-O 3.48Å; R429-I431 HydrophobicContact CG-CG1 4.33Å; R429-H454 CarbonylContact C-O 3.58Å; R429-H454 VanDerWaalsContact CA-O 3.29Å; R429-H454 WeakPolarHBondContact CA-O 3.28Å; R429-H454 HydrophobicContact CB-CB 4.16Å; R429-H454 HydrophobicContact CG-CB 3.89Å; R429-H454 VanDerWaalsContact CZ-CG 3.43Å; R429-H454 VanDerWaalsContact NH1-CG 3.31Å; R429-H454 PolarHBondContact NH2-CD2 3.32Å; R429-H454 PolarHBondContact NH2-NE2 3.39Å; R429-H454 VanDerWaalsContact NH2-NE2 3.13Å
430	L	97.9	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.9	177	-179.3	60	0	0	0	110.3	L405 I421 L432 I445 L452 H454 L455 S456	L405-L430 HydrophobicContact CB-CD1 4.2Å; L405-L430 HydrophobicContact CD2-CD1 4.27Å; L405-L430 HydrophobicContact CG-CD1 4.32Å; L405-L430 WeakPolarHBondContact O-CA 3.33Å; I421-L430 HydrophobicContact CD1-CD1 4.48Å; I421-L430 HydrophobicContact CG2-CD1 4.36Å; I421-L430 HydrophobicContact CG2-CD2 4.26Å; L430-L432 HydrophobicContact CD1-CD2 3.92Å; L430-L432 HydrophobicContact CD1-CG 4.13Å; L430-L432 HydrophobicContact CD2-CD1 3.97Å; L430-L432 HydrophobicContact CD2-CG 4.28Å; L430-L432 HydrophobicContact CG-CD1 4.18Å; L430-L432 HydrophobicContact CG-CD2 4.27Å; L430-L432 HydrophobicContact CG-CG 3.92Å; L430-I445 HydrophobicContact CD2-CD1 4.46Å; L430-I445 HydrophobicContact CD2-CG2 3.72Å; L430-L452 HydrophobicContact CB-CD2 3.97Å; L430-H454 PolarHBondContact N-O 3.03Å; L430-L455 HydrophobicContact CB-CD1 3.99Å; L430-L455 HydrophobicContact CD2-CD1 4.16Å; L430-L455 HydrophobicContact CG-CD1 4.18Å; L430-L455 WeakPolarHBondContact O-CA 3.46Å; L430-S456 PolarHBondContact O-N 2.85Å
431	I	97.3	Very high	95.6	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.6	179.3	-53.8	177.4	0	0	0	108.9	L405 N406 L407 R429	L405-I431 PolarHBondContact O-N 2.96Å; N406-I431 HydrophobicContact CB-CB 4.14Å; N406-I431 HydrophobicContact CB-CD1 4.23Å; N406-I431 WeakPolarHBondContact OD1-CG2 3.39Å; L407-I431 PolarHBondContact N-O 3.05Å; R429-I431 HydrophobicContact CG-CG1 4.33Å
432	L	96.9	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.			trans	-118.5	19.1	-179.1	-61.1	180	0	0	0	112.1	L407 F418 I421 L430 R434 T435 V437 S456 L457 C460	L407-L432 HydrophobicContact CB-CD2 4.19Å; L407-L432 HydrophobicContact CD1-CD2 4.16Å; F418-L432 HydrophobicContact CD1-CD2 3.98Å; F418-L432 HydrophobicContact CE1-CD2 3.8Å; I421-L432 HydrophobicContact CD1-CD2 4.5Å; L430-L432 HydrophobicContact CD1-CD2 3.92Å; L430-L432 HydrophobicContact CD1-CG 4.13Å; L430-L432 HydrophobicContact CD2-CD1 3.97Å; L430-L432 HydrophobicContact CD2-CG 4.28Å; L430-L432 HydrophobicContact CG-CD1 4.18Å; L430-L432 HydrophobicContact CG-CD2 4.27Å; L430-L432 HydrophobicContact CG-CG 3.92Å; L432-R434 PolarHBondContact O-N 2.95Å; L432-T435 HydrophobicContact CB-CG2 4.45Å; L432-T435 WeakPolarHBondContact O-CB 3.23Å; L432-T435 VanDerWaalsContact O-CG2 3.27Å; L432-T435 WeakPolarHBondContact O-CG2 3.39Å; L432-T435 PolarHBondContact O-N 2.77Å; L432-T435 PolarHBondContact O-OG1 3.14Å; L432-V437 HydrophobicContact CD1-CB 4.31Å; L432-V437 HydrophobicContact CD1-CG1 4.08Å; L432-V437 HydrophobicContact CD1-CG2 4.21Å; L432-S456 CarbonylContact C-O 3.31Å; L432-S456 WeakPolarHBondContact CA-O 3.5Å; L432-S456 PolarHBondContact N-O 2.9Å; L432-L457 HydrophobicContact CB-CD2 4.38Å; L432-L457 HydrophobicContact CD1-CD2 4.16Å; L432-C460 PolarHBondContact O-SG 3.11Å
433	Y	95.1	Very high	95.7	Very high	11 Å²	11	32.5 Å²	32.5	4%	0.043	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	128.2	179.7	171	-101.2	0	0	0	111.4	H63 R97 S408 S409 T435 G458	H63-Y433 PolarHBondContact N-OH 3.43Å; H63-Y433 PolarHBondContact O-OH 2.89Å; H63-Y433 VanDerWaalsContact O-OH 3.05Å; R97-Y433 VanDerWaalsContact NH1-CD2 3.31Å; S408-Y433 CarbonylContact C-O 3.6Å; S408-Y433 VanDerWaalsContact CA-O 3.28Å; S408-Y433 WeakPolarHBondContact CA-O 2.99Å; S409-Y433 PolarHBondContact N-O 3.4Å; Y433-T435 VanDerWaalsContact C-N 3.33Å; Y433-T435 PolarHBondContact O-N 2.98Å; Y433-G458 CarbonylContact C-O 3.32Å; Y433-G458 WeakPolarHBondContact CA-O 3.22Å; Y433-G458 WeakPolarHBondContact CD2-O 3.19Å
434	R	93.2	Very high	95.8	Very high	37 Å²	37	27.8 Å²	27.8	14%	0.14	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	46.3	178.7	-162.5	-179.6	163.7	-142.7	-3.7	113.3	F60 E67 L432 G458	F60-R434 VanDerWaalsContact CE2-NH2 3.35Å; F60-R434 VanDerWaalsContact CZ-CZ 3.41Å; F60-R434 PolarHBondContact O-NH1 3.42Å; E67-R434 IonicContact OE1-CZ 2.95Å; E67-R434 IonicContact OE1-NE 3.75Å; E67-R434 PolarHBondContact OE1-NE 3.29Å; E67-R434 IonicContact OE1-NH2 3.46Å; L432-R434 PolarHBondContact O-N 2.95Å; R434-G458 PolarHBondContact N-O 3.06Å
435	T	94.1	Very high	95.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.148	C	C	.	.			trans	-110.9	171.7	171.4	64.5	0	0	0	0	111.4	L407 F418 L432 Y433	L407-T435 WeakPolarHBondContact O-CG2 3.31Å; F418-T435 HydrophobicContact CE1-CG2 4.39Å; F418-T435 HydrophobicContact CZ-CG2 4.19Å; L432-T435 HydrophobicContact CB-CG2 4.45Å; L432-T435 WeakPolarHBondContact O-CB 3.23Å; L432-T435 VanDerWaalsContact O-CG2 3.27Å; L432-T435 WeakPolarHBondContact O-CG2 3.39Å; L432-T435 PolarHBondContact O-N 2.77Å; L432-T435 PolarHBondContact O-OG1 3.14Å; Y433-T435 VanDerWaalsContact C-N 3.33Å; Y433-T435 PolarHBondContact O-N 2.98Å
436	K	94	Very high	96.2	Very high	78 Å²	78	25.9 Å²	25.9	34%	0.339	13%	0.132	S	C	.	.			trans	-100.9	30.3	177.4	-62	173.6	-177.6	154.9	0	112.3	D411 P415 E438 V461 M462	D411-K436 PolarHBondContact O-NZ 3.35Å; P415-K436 WeakPolarHBondContact CA-O 3.42Å; P415-K436 VanDerWaalsContact CB-O 3.23Å; P415-K436 WeakPolarHBondContact CB-O 3.21Å; P415-K436 HydrophobicContact CG-CB 4.1Å; K436-E438 PolarHBondContact O-N 3.22Å; K436-V461 HydrophobicContact CG-CG2 4.47Å; K436-M462 HydrophobicContact CB-CG 4.11Å
437	V	95.5	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.			trans	-58.6	126.5	177.6	60.6	0	0	0	0	110.8	F418 L432 A441 L442 C460 M462 I463	F418-V437 HydrophobicContact CB-CB 4.32Å; F418-V437 HydrophobicContact CB-CG2 3.74Å; F418-V437 HydrophobicContact CD1-CB 4.12Å; F418-V437 HydrophobicContact CD1-CG2 4.25Å; F418-V437 HydrophobicContact CD2-CB 4.02Å; F418-V437 HydrophobicContact CD2-CG2 4.36Å; F418-V437 HydrophobicContact CE1-CB 4.49Å; F418-V437 HydrophobicContact CE2-CB 4.38Å; F418-V437 HydrophobicContact CG-CB 3.88Å; F418-V437 HydrophobicContact CG-CG2 3.86Å; L432-V437 HydrophobicContact CD1-CB 4.31Å; L432-V437 HydrophobicContact CD1-CG1 4.08Å; L432-V437 HydrophobicContact CD1-CG2 4.21Å; V437-A441 HydrophobicContact CG2-CB 4.29Å; V437-L442 HydrophobicContact CG2-CB 4.26Å; V437-C460 HydrophobicContact CG1-CB 4.25Å; V437-M462 WeakPolarHBondContact O-CB 3.36Å; V437-I463 HydrophobicContact CG1-CD1 4.34Å
438	E	95	Very high	96.1	Very high	70 Å²	70	32.8 Å²	32.8	33%	0.327	16%	0.16	S	C	.	.			trans	-76.5	152.1	175.4	-88.3	168.4	-167.8	0	0	111.9	P415 K436 T440 A441 L442 M462	P415-E438 HydrophobicContact CB-CG 3.72Å; P415-E438 VanDerWaalsContact CB-OE1 3.31Å; P415-E438 WeakPolarHBondContact CB-OE1 3.36Å; K436-E438 PolarHBondContact O-N 3.22Å; E438-T440 VanDerWaalsContact C-N 3.33Å; E438-T440 PolarHBondContact O-N 3.2Å; E438-A441 HydrophobicContact CB-CB 4.49Å; E438-A441 PolarHBondContact O-N 3.48Å; E438-L442 PolarHBondContact O-N 2.97Å; E438-M462 HydrophobicContact CG-CB 4.49Å
439	Q	94.8	Very high	96.1	Very high	37 Å²	37	29.6 Å²	29.6	17%	0.173	15%	0.146	C	C	.	.	H	α-helix	trans	-55.6	-44.6	177.4	179.7	169.9	-47.9	0	0	112.9	A441 L442 L443 E464 I469	Q439-A441 VanDerWaalsContact C-N 3.3Å; Q439-A441 PolarHBondContact O-N 2.94Å; Q439-L442 PolarHBondContact O-N 3.05Å; Q439-L443 HydrophobicContact CG-CD1 4.05Å; Q439-L443 HydrophobicContact CG-CG 4.43Å; Q439-L443 VanDerWaalsContact O-CG 3.24Å; Q439-L443 WeakPolarHBondContact O-CG 3.14Å; Q439-L443 PolarHBondContact O-N 2.82Å; Q439-E464 VanDerWaalsContact OE1-N 3.15Å; Q439-I469 HydrophobicContact CG-CD1 4.13Å
440	T	95.8	Very high	95.9	Very high	84 Å²	84	31.2 Å²	31.2	52%	0.515	16%	0.161	S	C	.	.	H	α-helix	trans	-62.5	-38.2	179.4	52.8	0	0	0	0	112.2	E438 S444	E438-T440 VanDerWaalsContact C-N 3.33Å; E438-T440 PolarHBondContact O-N 3.2Å; T440-S444 PolarHBondContact O-N 3.2Å; T440-S444 VanDerWaalsContact O-N 3.14Å; T440-S444 PolarHBondContact O-OG 3.46Å
441	A	96.4	Very high	95.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-45.8	175.5	0	0	0	0	0	111.7	F418 N419 V437 E438 Q439 L443 S444 I445	F418-A441 HydrophobicContact CB-CB 4.01Å; N419-A441 HydrophobicContact CB-CB 4.46Å; N419-A441 VanDerWaalsContact OD1-CA 3.24Å; N419-A441 WeakPolarHBondContact OD1-CA 3.41Å; V437-A441 HydrophobicContact CG2-CB 4.29Å; E438-A441 HydrophobicContact CB-CB 4.49Å; E438-A441 PolarHBondContact O-N 3.48Å; Q439-A441 VanDerWaalsContact C-N 3.3Å; Q439-A441 PolarHBondContact O-N 2.94Å; A441-L443 PolarHBondContact O-N 3.32Å; A441-S444 WeakPolarHBondContact O-CB 3.37Å; A441-S444 PolarHBondContact O-N 3.47Å; A441-I445 VanDerWaalsContact O-CG1 3.3Å; A441-I445 WeakPolarHBondContact O-CG1 3.49Å; A441-I445 PolarHBondContact O-N 2.9Å
442	L	96.9	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-42.5	177.3	-177	59.2	0	0	0	112.4	V437 E438 Q439 S444 I445 L446 L457 I463 I469	V437-L442 HydrophobicContact CG2-CB 4.26Å; E438-L442 PolarHBondContact O-N 2.97Å; Q439-L442 PolarHBondContact O-N 3.05Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 3.24Å; L442-I445 PolarHBondContact O-N 3.4Å; L442-L446 HydrophobicContact CD1-CD1 4.4Å; L442-L446 HydrophobicContact CD1-CG 4.19Å; L442-L446 HydrophobicContact CG-CD1 4.13Å; L442-L446 HydrophobicContact CG-CG 4.36Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.39Å; L442-L446 PolarHBondContact O-N 3.37Å; L442-L457 HydrophobicContact CD1-CD2 3.91Å; L442-L457 HydrophobicContact CD2-CD1 3.65Å; L442-L457 HydrophobicContact CD2-CD2 3.88Å; L442-L457 HydrophobicContact CD2-CG 4.42Å; L442-I463 HydrophobicContact CD2-CD1 3.55Å; L442-I463 HydrophobicContact CD2-CG1 4.42Å; L442-I469 HydrophobicContact CB-CD1 4.2Å; L442-I469 HydrophobicContact CD2-CD1 3.74Å; L442-I469 HydrophobicContact CD2-CG1 4.05Å; L442-I469 HydrophobicContact CD2-CG2 3.7Å; L442-I469 HydrophobicContact CG-CD1 3.95Å; L442-I469 HydrophobicContact CG-CG2 4.42Å
443	L	97	Very high	95.9	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.199	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-42.2	175.2	-72	169.5	0	0	0	111.9	Q439 A441 L446 N447 L468 I469 M472	Q439-L443 HydrophobicContact CG-CD1 4.05Å; Q439-L443 HydrophobicContact CG-CG 4.43Å; Q439-L443 VanDerWaalsContact O-CG 3.24Å; Q439-L443 WeakPolarHBondContact O-CG 3.14Å; Q439-L443 PolarHBondContact O-N 2.82Å; A441-L443 PolarHBondContact O-N 3.32Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-N447 WeakPolarHBondContact O-CB 3.09Å; L443-N447 PolarHBondContact O-N 2.95Å; L443-L468 HydrophobicContact CD1-CD2 3.89Å; L443-L468 HydrophobicContact CD2-CD2 4.27Å; L443-L468 HydrophobicContact CD2-CG 4.04Å; L443-I469 HydrophobicContact CD2-CD1 3.69Å; L443-I469 HydrophobicContact CG-CD1 3.79Å; L443-M472 HydrophobicContact CD2-CB 4.13Å; L443-M472 HydrophobicContact CD2-CG 3.58Å
444	S	97.1	Very high	96	Very high	39 Å²	39	35.8 Å²	35.8	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-47.9	176	-59.1	0	0	0	0	110.9	N419 T440 A441 L442 L446 N447 F448	N419-S444 WeakPolarHBondContact OD1-CB 3.37Å; N419-S444 PolarHBondContact OD1-OG 2.73Å; T440-S444 PolarHBondContact O-N 3.2Å; T440-S444 VanDerWaalsContact O-N 3.14Å; T440-S444 PolarHBondContact O-OG 3.46Å; A441-S444 WeakPolarHBondContact O-CB 3.37Å; A441-S444 PolarHBondContact O-N 3.47Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 3.24Å; S444-L446 PolarHBondContact O-N 3.47Å; S444-N447 PolarHBondContact O-N 3.02Å; S444-N447 VanDerWaalsContact O-N 3.17Å; S444-F448 WeakPolarHBondContact O-CD2 3.28Å; S444-F448 PolarHBondContact O-N 3.14Å
445	I	97.2	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.5	-50.4	176.4	-66.7	165.2	0	0	0	110.7	I421 A422 L430 A441 L442 N447 F448 C449	I421-I445 HydrophobicContact CB-CD1 3.92Å; I421-I445 HydrophobicContact CB-CG1 4.01Å; I421-I445 HydrophobicContact CD1-CD1 4.33Å; I421-I445 HydrophobicContact CG2-CD1 4.15Å; I421-I445 HydrophobicContact CG2-CG1 4.19Å; I421-I445 HydrophobicContact CG2-CG2 4.37Å; A422-I445 HydrophobicContact CB-CG1 4.27Å; L430-I445 HydrophobicContact CD2-CD1 4.46Å; L430-I445 HydrophobicContact CD2-CG2 3.72Å; A441-I445 VanDerWaalsContact O-CG1 3.3Å; A441-I445 WeakPolarHBondContact O-CG1 3.49Å; A441-I445 PolarHBondContact O-N 2.9Å; L442-I445 PolarHBondContact O-N 3.4Å; I445-N447 VanDerWaalsContact C-N 3.26Å; I445-N447 PolarHBondContact O-N 3.02Å; I445-F448 PolarHBondContact O-N 3.48Å; I445-C449 HydrophobicContact CG2-CB 4.36Å; I445-C449 VanDerWaalsContact O-CB 3.23Å; I445-C449 WeakPolarHBondContact O-CB 3.41Å; I445-C449 PolarHBondContact O-N 2.9Å; I445-C449 PolarHBondContact O-SG 3.17Å; I445-C449 VanDerWaalsContact O-SG 3.32Å
446	L	97.1	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-30.1	-179.1	-67.3	176.2	0	0	0	113.2	L442 L443 S444 L452 L455 I469 M472 M473 K476	L442-L446 HydrophobicContact CD1-CD1 4.4Å; L442-L446 HydrophobicContact CD1-CG 4.19Å; L442-L446 HydrophobicContact CG-CD1 4.13Å; L442-L446 HydrophobicContact CG-CG 4.36Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.39Å; L442-L446 PolarHBondContact O-N 3.37Å; L443-L446 PolarHBondContact O-N 3.31Å; S444-L446 PolarHBondContact O-N 3.47Å; L446-L452 HydrophobicContact CD2-CD1 4.12Å; L446-L455 HydrophobicContact CD2-CD2 3.9Å; L446-I469 HydrophobicContact CD1-CG2 3.96Å; L446-M472 HydrophobicContact CD1-CB 4.28Å; L446-M473 HydrophobicContact CD1-CG 3.68Å; L446-M473 HydrophobicContact CD2-CG 3.75Å; L446-M473 HydrophobicContact CG-CG 4.35Å; L446-K476 WeakPolarHBondContact O-CB 3.01Å
447	N	96.6	Very high	96.5	Very high	66 Å²	66	31 Å²	31	35%	0.353	16%	0.164	S	C	.	.	H	α-helix	trans	-71.4	-34.5	177.8	-176	66.4	0	0	0	112.7	L443 S444 I445 M472 K476	L443-N447 WeakPolarHBondContact O-CB 3.09Å; L443-N447 PolarHBondContact O-N 2.95Å; S444-N447 PolarHBondContact O-N 3.02Å; S444-N447 VanDerWaalsContact O-N 3.17Å; I445-N447 VanDerWaalsContact C-N 3.26Å; I445-N447 PolarHBondContact O-N 3.02Å; N447-M472 HydrophobicContact CB-CE 4.27Å; N447-K476 WeakPolarHBondContact OD1-CE 3.3Å
448	F	95.9	Very high	96.4	Very high	121 Å²	121	31 Å²	31	53%	0.531	16%	0.164	S	C	.	.	H	α-helix	trans	-100.9	-26.4	-175.8	-66.9	-71.7	0	0	0	114.2	A422 S444 I445 S450	A422-F448 HydrophobicContact CB-CD2 4.02Å; A422-F448 VanDerWaalsContact O-CB 3.27Å; A422-F448 WeakPolarHBondContact O-CB 3.5Å; S444-F448 WeakPolarHBondContact O-CD2 3.28Å; S444-F448 PolarHBondContact O-N 3.14Å; I445-F448 PolarHBondContact O-N 3.48Å; F448-S450 PolarHBondContact O-N 3.12Å
449	C	95.6	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.			trans	-96.3	62.6	-178.9	-54.2	0	0	0	0	111.4	V424 L427 I445 E451 L452	V424-C449 PolarHBondContact O-SG 3.23Å; L427-C449 HydrophobicContact CB-CB 4.42Å; I445-C449 HydrophobicContact CG2-CB 4.36Å; I445-C449 VanDerWaalsContact O-CB 3.23Å; I445-C449 WeakPolarHBondContact O-CB 3.41Å; I445-C449 PolarHBondContact O-N 2.9Å; I445-C449 PolarHBondContact O-SG 3.17Å; I445-C449 VanDerWaalsContact O-SG 3.32Å; C449-E451 PolarHBondContact O-N 3.13Å; C449-L452 HydrophobicContact CB-CD1 3.85Å; C449-L452 HydrophobicContact CB-CG 3.92Å; C449-L452 WeakPolarHBondContact O-CD1 3.17Å; C449-L452 VanDerWaalsContact O-CG 3.25Å; C449-L452 WeakPolarHBondContact O-CG 3.3Å; C449-L452 PolarHBondContact O-N 3.32Å
450	S	94.4	Very high	96.1	Very high	53 Å²	53	27 Å²	27	37%	0.371	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.7	-177.2	56.8	0	0	0	0	114.4	F448 L452	F448-S450 PolarHBondContact O-N 3.12Å; S450-L452 PolarHBondContact O-N 3.25Å
451	E	96.6	Very high	95.7	Very high	63 Å²	63	26.6 Å²	26.6	29%	0.294	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.5	177.5	-66.7	-60.8	126.2	0	0	113.7	L427 C449 Q453 K479	L427-E451 CarbonylContact O-C 3.59Å; L427-E451 VanDerWaalsContact O-C 3.31Å; C449-E451 PolarHBondContact O-N 3.13Å; E451-Q453 WeakPolarHBondContact O-CG 3.48Å; E451-Q453 PolarHBondContact O-N 2.8Å; E451-K479 IonicContact OE1-NZ 2.76Å; E451-K479 PolarHBondContact OE1-NZ 3.14Å; E451-K479 WeakPolarHBondContact OE2-CD 3.33Å; E451-K479 IonicContact OE2-NZ 3.7Å; E451-K479 PolarHBondContact OE2-NZ 3.48Å
452	L	97.7	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.			trans	-57.8	127.7	179.7	-78.3	171.5	0	0	0	112.1	L427 L430 L446 C449 S450 K479 L480	L427-L452 HydrophobicContact CB-CD2 4.22Å; L427-L452 PolarHBondContact O-N 2.84Å; L430-L452 HydrophobicContact CB-CD2 3.97Å; L446-L452 HydrophobicContact CD2-CD1 4.12Å; C449-L452 HydrophobicContact CB-CD1 3.85Å; C449-L452 HydrophobicContact CB-CG 3.92Å; C449-L452 WeakPolarHBondContact O-CD1 3.17Å; C449-L452 VanDerWaalsContact O-CG 3.25Å; C449-L452 WeakPolarHBondContact O-CG 3.3Å; C449-L452 PolarHBondContact O-N 3.32Å; S450-L452 PolarHBondContact O-N 3.25Å; L452-K479 CarbonylContact O-C 3.53Å; L452-K479 VanDerWaalsContact O-C 3.32Å; L452-L480 PolarHBondContact O-N 3.3Å
453	Q	97.4	Very high	95.2	Very high	48 Å²	48	31.1 Å²	31.1	22%	0.224	17%	0.167	C	C	.	.			trans	-114.6	-30.2	176.6	-58.5	-177.1	22.9	0	0	111.4	K428 E451 K479 R481 S482	K428-Q453 HydrophobicContact CB-CG 4.43Å; K428-Q453 WeakPolarHBondContact O-CA 3.43Å; K428-Q453 PolarHBondContact O-N 2.9Å; E451-Q453 WeakPolarHBondContact O-CG 3.48Å; E451-Q453 PolarHBondContact O-N 2.8Å; Q453-K479 HydrophobicContact CG-CB 4.32Å; Q453-R481 WeakPolarHBondContact O-CA 3.26Å; Q453-R481 PolarHBondContact O-N 3.26Å; Q453-S482 PolarHBondContact O-N 3.5Å
454	H	97.8	Very high	95	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.069	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.3	-177.6	-53.5	-78.4	0	0	0	110.3	K428 R429 L430 S482	K428-H454 PolarHBondContact O-N 2.95Å; R429-H454 CarbonylContact C-O 3.58Å; R429-H454 VanDerWaalsContact CA-O 3.29Å; R429-H454 WeakPolarHBondContact CA-O 3.28Å; R429-H454 HydrophobicContact CB-CB 4.16Å; R429-H454 HydrophobicContact CG-CB 3.89Å; R429-H454 VanDerWaalsContact CZ-CG 3.43Å; R429-H454 VanDerWaalsContact NH1-CG 3.31Å; R429-H454 PolarHBondContact NH2-CD2 3.32Å; R429-H454 PolarHBondContact NH2-NE2 3.39Å; R429-H454 VanDerWaalsContact NH2-NE2 3.13Å; L430-H454 PolarHBondContact N-O 3.03Å; H454-S482 WeakPolarHBondContact CA-O 3.32Å; H454-S482 VanDerWaalsContact ND1-CB 3.27Å; H454-S482 WeakPolarHBondContact ND1-CB 3.5Å
455	L	97.8	Very high	94.8	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.2	-179.4	-179.1	61.9	0	0	0	110.5	L430 L446 L457 M473 L480 S482 L483 D484	L430-L455 HydrophobicContact CB-CD1 3.99Å; L430-L455 HydrophobicContact CD2-CD1 4.16Å; L430-L455 HydrophobicContact CG-CD1 4.18Å; L430-L455 WeakPolarHBondContact O-CA 3.46Å; L446-L455 HydrophobicContact CD2-CD2 3.9Å; L455-L457 HydrophobicContact CD1-CD2 4.02Å; L455-L457 HydrophobicContact CD1-CG 4.33Å; L455-L457 HydrophobicContact CD2-CD1 4.04Å; L455-L457 HydrophobicContact CD2-CD2 4.49Å; L455-L457 HydrophobicContact CD2-CG 4.2Å; L455-L457 HydrophobicContact CG-CD1 4.39Å; L455-L457 HydrophobicContact CG-CD2 4.25Å; L455-L457 HydrophobicContact CG-CG 4.01Å; L455-M473 HydrophobicContact CD2-SD 3.64Å; L455-L480 HydrophobicContact CB-CD1 4.05Å; L455-S482 PolarHBondContact N-O 2.57Å; L455-L483 HydrophobicContact CB-CD1 3.99Å; L455-L483 HydrophobicContact CD2-CD1 4.12Å; L455-L483 HydrophobicContact CG-CD1 4.15Å; L455-L483 WeakPolarHBondContact O-CA 3.3Å; L455-D484 PolarHBondContact O-N 3.21Å
456	S	96.7	Very high	94.8	Very high	14 Å²	14	38 Å²	38	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115	175.3	158.2	0	0	0	0	110.9	L430 L432 D484	L430-S456 PolarHBondContact O-N 2.85Å; L432-S456 CarbonylContact C-O 3.31Å; L432-S456 WeakPolarHBondContact CA-O 3.5Å; L432-S456 PolarHBondContact N-O 2.9Å; S456-D484 PolarHBondContact OG-OD2 3.37Å
457	L	96.4	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.			trans	-115.4	14.1	177.4	-57.3	176	0	0	0	112.2	L432 L442 L455 S459 C460 I469 D484 L485	L432-L457 HydrophobicContact CB-CD2 4.38Å; L432-L457 HydrophobicContact CD1-CD2 4.16Å; L442-L457 HydrophobicContact CD1-CD2 3.91Å; L442-L457 HydrophobicContact CD2-CD1 3.65Å; L442-L457 HydrophobicContact CD2-CD2 3.88Å; L442-L457 HydrophobicContact CD2-CG 4.42Å; L455-L457 HydrophobicContact CD1-CD2 4.02Å; L455-L457 HydrophobicContact CD1-CG 4.33Å; L455-L457 HydrophobicContact CD2-CD1 4.04Å; L455-L457 HydrophobicContact CD2-CD2 4.49Å; L455-L457 HydrophobicContact CD2-CG 4.2Å; L455-L457 HydrophobicContact CG-CD1 4.39Å; L455-L457 HydrophobicContact CG-CD2 4.25Å; L455-L457 HydrophobicContact CG-CG 4.01Å; L457-S459 PolarHBondContact O-N 2.81Å; L457-C460 WeakPolarHBondContact O-CB 3.11Å; L457-C460 PolarHBondContact O-N 3.23Å; L457-C460 PolarHBondContact O-SG 2.83Å; L457-C460 VanDerWaalsContact O-SG 3.37Å; L457-I469 HydrophobicContact CD1-CG2 4.09Å; L457-D484 PolarHBondContact N-O 3.04Å; L457-L485 HydrophobicContact CB-CD2 4.25Å; L457-L485 HydrophobicContact CD1-CD2 4.04Å
458	G	93.8	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	129.6	-176.8	0	0	0	0	0	112.5	Y433 R434 C460 D484 W486	Y433-G458 CarbonylContact C-O 3.32Å; Y433-G458 WeakPolarHBondContact CA-O 3.22Å; Y433-G458 WeakPolarHBondContact CD2-O 3.19Å; R434-G458 PolarHBondContact N-O 3.06Å; G458-C460 PolarHBondContact O-N 2.92Å; G458-D484 PolarHBondContact N-O 2.85Å; G458-W486 CarbonylContact C-O 3.54Å; G458-W486 WeakPolarHBondContact CA-O 3.37Å
459	S	91.1	Very high	94.8	Very high	14 Å²	14	33.9 Å²	33.9	10%	0.098	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	29.1	179.9	-53.2	0	0	0	0	115.4	L457 V461 W486	L457-S459 PolarHBondContact O-N 2.81Å; S459-V461 PolarHBondContact O-N 3.41Å; S459-W486 PolarHBondContact N-O 3.15Å
460	C	92.4	Very high	94.8	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.047	18%	0.179	C	C	.	.			trans	-72.3	120.3	166.9	-72.1	0	0	0	0	110.6	L432 V437 L457 G458 I463 Y466	L432-C460 PolarHBondContact O-SG 3.11Å; V437-C460 HydrophobicContact CG1-CB 4.25Å; L457-C460 WeakPolarHBondContact O-CB 3.11Å; L457-C460 PolarHBondContact O-N 3.23Å; L457-C460 PolarHBondContact O-SG 2.83Å; L457-C460 VanDerWaalsContact O-SG 3.37Å; G458-C460 PolarHBondContact O-N 2.92Å; C460-I463 HydrophobicContact CB-CD1 3.74Å; C460-I463 HydrophobicContact CB-CG1 4.31Å; C460-Y466 PolarHBondContact O-OH 2.81Å
461	V	87	Confident	95	Very high	76 Å²	76	32.9 Å²	32.9	46%	0.461	17%	0.172	S	C	.	.	S	Bend	trans	-92	-15.8	-168.4	-61.5	0	0	0	0	115.3	K436 S459	K436-V461 HydrophobicContact CG-CG2 4.47Å; S459-V461 PolarHBondContact O-N 3.41Å
462	M	91.9	Very high	95	Very high	86 Å²	86	31.9 Å²	31.9	42%	0.424	17%	0.168	S	C	.	.	S	Bend	trans	-102	11	-174.8	-63	-62.7	-158.8	0	0	113.9	K436 V437 E438	K436-M462 HydrophobicContact CB-CG 4.11Å; V437-M462 WeakPolarHBondContact O-CB 3.36Å; E438-M462 HydrophobicContact CG-CB 4.49Å
463	I	92.4	Very high	95	Very high	10 Å²	10	32 Å²	32	5%	0.051	17%	0.169	C	C	.	.			trans	-97	124	175.2	-58.7	171.1	0	0	0	108	V437 L442 C460 Y466 I469	V437-I463 HydrophobicContact CG1-CD1 4.34Å; L442-I463 HydrophobicContact CD2-CD1 3.55Å; L442-I463 HydrophobicContact CD2-CG1 4.42Å; C460-I463 HydrophobicContact CB-CD1 3.74Å; C460-I463 HydrophobicContact CB-CG1 4.31Å; I463-Y466 HydrophobicContact CB-CD2 4.2Å; I463-Y466 HydrophobicContact CB-CE1 4.28Å; I463-Y466 HydrophobicContact CB-CE2 3.54Å; I463-Y466 HydrophobicContact CD1-CE1 3.9Å; I463-Y466 HydrophobicContact CG2-CD1 4.11Å; I463-Y466 HydrophobicContact CG2-CD2 3.59Å; I463-Y466 HydrophobicContact CG2-CE1 3.92Å; I463-Y466 HydrophobicContact CG2-CE2 3.45Å; I463-Y466 VanDerWaalsContact CG2-CE2 3.45Å; I463-Y466 HydrophobicContact CG2-CG 3.98Å; I463-I469 HydrophobicContact CG2-CG1 3.97Å
464	E	91.3	Very high	94.9	Very high	151 Å²	151	29.9 Å²	29.9	71%	0.706	16%	0.16	S	C	*	.			trans	-95.6	-45.9	-173.3	-61.3	-176.5	171	0	0	112.2	Q439 N490	Q439-E464 VanDerWaalsContact OE1-N 3.15Å; E464-N490 PolarHBondContact O-ND2 3.41Å; E464-N490 VanDerWaalsContact O-ND2 3.1Å
465	D	94.3	Very high	94.9	Very high	67 Å²	67	31.8 Å²	31.8	36%	0.358	18%	0.179	S	C	.	.			trans	-118.4	98.2	-176.7	-176.7	-10.6	0	0	0	110.3	D467 L468 I469	D465-D467 WeakPolarHBondContact OD1-CB 3.28Å; D465-D467 PolarHBondContact OD1-N 3.33Å; D465-L468 HydrophobicContact CB-CB 4.31Å; D465-L468 PolarHBondContact OD1-N 3.35Å; D465-I469 WeakPolarHBondContact O-CG1 3.21Å
466	Y	95.6	Very high	94.8	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-79.3	-17.6	176.9	-84.8	-90.5	0	0	0	113.5	C460 I463 I469 A470 L485 C488 K489	C460-Y466 PolarHBondContact O-OH 2.81Å; I463-Y466 HydrophobicContact CB-CD2 4.2Å; I463-Y466 HydrophobicContact CB-CE1 4.28Å; I463-Y466 HydrophobicContact CB-CE2 3.54Å; I463-Y466 HydrophobicContact CD1-CE1 3.9Å; I463-Y466 HydrophobicContact CG2-CD1 4.11Å; I463-Y466 HydrophobicContact CG2-CD2 3.59Å; I463-Y466 HydrophobicContact CG2-CE1 3.92Å; I463-Y466 HydrophobicContact CG2-CE2 3.45Å; I463-Y466 VanDerWaalsContact CG2-CE2 3.45Å; I463-Y466 HydrophobicContact CG2-CG 3.98Å; Y466-I469 PolarHBondContact O-N 2.81Å; Y466-A470 VanDerWaalsContact O-CB 3.23Å; Y466-A470 WeakPolarHBondContact O-CB 3.05Å; Y466-A470 PolarHBondContact O-N 2.91Å; Y466-L485 HydrophobicContact CD1-CD2 4.37Å; Y466-L485 HydrophobicContact CE1-CD2 4.42Å; Y466-C488 HydrophobicContact CD1-CB 3.58Å; Y466-C488 HydrophobicContact CD2-CB 4.05Å; Y466-C488 HydrophobicContact CE1-CB 3.52Å; Y466-C488 WeakPolarHBondContact CE1-SG 3.19Å; Y466-C488 HydrophobicContact CE2-CB 3.94Å; Y466-C488 HydrophobicContact CG-CB 3.82Å; Y466-K489 WeakPolarHBondContact CD2-O 3.26Å
467	D	96.1	Very high	94.8	Very high	32 Å²	32	35.3 Å²	35.3	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-41.8	175.2	-73.4	-20.2	0	0	0	110.4	D465 I469 A470 S471 T492 G495	D465-D467 WeakPolarHBondContact OD1-CB 3.28Å; D465-D467 PolarHBondContact OD1-N 3.33Å; D467-I469 VanDerWaalsContact C-N 3.32Å; D467-I469 PolarHBondContact O-N 3.35Å; D467-A470 PolarHBondContact O-N 2.87Å; D467-S471 WeakPolarHBondContact O-CB 3.18Å; D467-S471 PolarHBondContact O-N 3.18Å; D467-T492 VanDerWaalsContact CG-OG1 3.29Å; D467-T492 PolarHBondContact OD1-N 3.44Å; D467-T492 PolarHBondContact OD1-OG1 2.76Å; D467-T492 WeakPolarHBondContact OD2-CB 3.27Å; D467-T492 VanDerWaalsContact OD2-CG2 3.3Å; D467-T492 WeakPolarHBondContact OD2-CG2 3.36Å; D467-T492 PolarHBondContact OD2-OG1 3.38Å; D467-G495 VanDerWaalsContact OD1-CA 3.27Å; D467-G495 WeakPolarHBondContact OD1-CA 3.33Å; D467-G495 PolarHBondContact OD1-N 2.74Å
468	L	96.5	Very high	94.8	Very high	68 Å²	68	40.2 Å²	40.2	36%	0.356	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-41.9	172.9	-179.5	63.2	0	0	0	111.9	L443 D465 S471 M472	L443-L468 HydrophobicContact CD1-CD2 3.89Å; L443-L468 HydrophobicContact CD2-CD2 4.27Å; L443-L468 HydrophobicContact CD2-CG 4.04Å; D465-L468 HydrophobicContact CB-CB 4.31Å; D465-L468 PolarHBondContact OD1-N 3.35Å; L468-S471 WeakPolarHBondContact O-CB 3.38Å; L468-S471 PolarHBondContact O-N 3.5Å; L468-M472 WeakPolarHBondContact O-CB 3.44Å; L468-M472 WeakPolarHBondContact O-CG 3.46Å; L468-M472 PolarHBondContact O-N 3.29Å
469	I	97.1	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-45	175.3	-64.1	-57	0	0	0	110.7	Q439 L442 L443 L446 L457 I463 D465 Y466 D467 M472 M473	Q439-I469 HydrophobicContact CG-CD1 4.13Å; L442-I469 HydrophobicContact CB-CD1 4.2Å; L442-I469 HydrophobicContact CD2-CD1 3.74Å; L442-I469 HydrophobicContact CD2-CG1 4.05Å; L442-I469 HydrophobicContact CD2-CG2 3.7Å; L442-I469 HydrophobicContact CG-CD1 3.95Å; L442-I469 HydrophobicContact CG-CG2 4.42Å; L443-I469 HydrophobicContact CD2-CD1 3.69Å; L443-I469 HydrophobicContact CG-CD1 3.79Å; L446-I469 HydrophobicContact CD1-CG2 3.96Å; L457-I469 HydrophobicContact CD1-CG2 4.09Å; I463-I469 HydrophobicContact CG2-CG1 3.97Å; D465-I469 WeakPolarHBondContact O-CG1 3.21Å; Y466-I469 PolarHBondContact O-N 2.81Å; D467-I469 VanDerWaalsContact C-N 3.32Å; D467-I469 PolarHBondContact O-N 3.35Å; I469-M472 PolarHBondContact O-N 2.86Å; I469-M473 HydrophobicContact CG2-CE 3.94Å; I469-M473 WeakPolarHBondContact O-CG 3.38Å; I469-M473 PolarHBondContact O-N 2.87Å
470	A	97.1	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-41.9	178	0	0	0	0	0	112.5	Y466 D467 M473 G474 I491 G495 L499	Y466-A470 VanDerWaalsContact O-CB 3.23Å; Y466-A470 WeakPolarHBondContact O-CB 3.05Å; Y466-A470 PolarHBondContact O-N 2.91Å; D467-A470 PolarHBondContact O-N 2.87Å; A470-M473 HydrophobicContact CB-CE 4.34Å; A470-M473 PolarHBondContact O-N 2.91Å; A470-G474 PolarHBondContact O-N 3.1Å; A470-I491 HydrophobicContact CB-CD1 4.44Å; A470-G495 WeakPolarHBondContact CB-O 3.47Å; A470-L499 HydrophobicContact CB-CB 4.21Å
471	S	96.9	Very high	95.5	Very high	33 Å²	33	47.3 Å²	47.3	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-49.8	172.1	-178.4	0	0	0	0	111.6	D467 L468 M473 G474 A475 E498	D467-S471 WeakPolarHBondContact O-CB 3.18Å; D467-S471 PolarHBondContact O-N 3.18Å; L468-S471 WeakPolarHBondContact O-CB 3.38Å; L468-S471 PolarHBondContact O-N 3.5Å; S471-M473 PolarHBondContact O-N 2.9Å; S471-G474 CarbonylContact O-C 3.43Å; S471-G474 WeakPolarHBondContact O-CA 3.27Å; S471-G474 PolarHBondContact O-N 3.36Å; S471-A475 WeakPolarHBondContact O-CB 3.4Å; S471-A475 PolarHBondContact O-N 3.09Å; S471-E498 WeakPolarHBondContact CA-OE2 3.37Å; S471-E498 WeakPolarHBondContact CB-OE2 3.47Å; S471-E498 PolarHBondContact OG-OE2 3.36Å
472	M	97.4	Very high	96.1	Very high	42 Å²	42	44.3 Å²	44.3	21%	0.207	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-40.5	179.3	-78.1	-64.8	-60.3	0	0	113	L443 L446 N447 L468 I469 A475 K476	L443-M472 HydrophobicContact CD2-CB 4.13Å; L443-M472 HydrophobicContact CD2-CG 3.58Å; L446-M472 HydrophobicContact CD1-CB 4.28Å; N447-M472 HydrophobicContact CB-CE 4.27Å; L468-M472 WeakPolarHBondContact O-CB 3.44Å; L468-M472 WeakPolarHBondContact O-CG 3.46Å; L468-M472 PolarHBondContact O-N 3.29Å; I469-M472 PolarHBondContact O-N 2.86Å; M472-A475 PolarHBondContact O-N 3.48Å; M472-K476 HydrophobicContact CE-CG 4.03Å; M472-K476 WeakPolarHBondContact O-CB 3.48Å; M472-K476 PolarHBondContact O-N 2.89Å
473	M	97.3	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-49.7	170.7	-74.2	-171.7	-68.5	0	0	110.6	L446 L455 I469 A470 S471 A475 K476 C477 L480 L483 L485 L499	L446-M473 HydrophobicContact CD1-CG 3.68Å; L446-M473 HydrophobicContact CD2-CG 3.75Å; L446-M473 HydrophobicContact CG-CG 4.35Å; L455-M473 HydrophobicContact CD2-SD 3.64Å; I469-M473 HydrophobicContact CG2-CE 3.94Å; I469-M473 WeakPolarHBondContact O-CG 3.38Å; I469-M473 PolarHBondContact O-N 2.87Å; A470-M473 HydrophobicContact CB-CE 4.34Å; A470-M473 PolarHBondContact O-N 2.91Å; S471-M473 PolarHBondContact O-N 2.9Å; M473-A475 VanDerWaalsContact C-N 3.26Å; M473-A475 PolarHBondContact O-N 3.06Å; M473-K476 PolarHBondContact O-N 3.07Å; M473-C477 WeakPolarHBondContact O-CA 3.48Å; M473-C477 WeakPolarHBondContact O-CB 3.45Å; M473-C477 PolarHBondContact O-N 3.19Å; M473-L480 HydrophobicContact SD-CD2 4.35Å; M473-L483 HydrophobicContact CE-CD1 4.24Å; M473-L483 HydrophobicContact CE-CD2 3.8Å; M473-L483 HydrophobicContact SD-CD1 3.73Å; M473-L483 HydrophobicContact SD-CD2 4.03Å; M473-L485 HydrophobicContact CE-CD2 4.46Å; M473-L499 HydrophobicContact CB-CD1 3.9Å; M473-L499 HydrophobicContact CE-CD1 4.12Å
474	G	96.6	Very high	96.5	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-39.1	176.4	0	0	0	0	0	112.4	A470 S471 K478 G502	A470-G474 PolarHBondContact O-N 3.1Å; S471-G474 CarbonylContact O-C 3.43Å; S471-G474 WeakPolarHBondContact O-CA 3.27Å; S471-G474 PolarHBondContact O-N 3.36Å; G474-K478 WeakPolarHBondContact O-CE 3.46Å; G474-K478 PolarHBondContact O-NZ 3.02Å; G474-G502 VanDerWaalsContact O-CA 3.23Å; G474-G502 WeakPolarHBondContact O-CA 3.3Å
475	A	97.1	Very high	96.8	Very high	56 Å²	56	33.5 Å²	33.5	46%	0.463	17%	0.17	S	C	.	.	H	α-helix	trans	-76.3	-38.9	-179.4	0	0	0	0	0	113.8	S471 M472 M473 K478	S471-A475 WeakPolarHBondContact O-CB 3.4Å; S471-A475 PolarHBondContact O-N 3.09Å; M472-A475 PolarHBondContact O-N 3.48Å; M473-A475 VanDerWaalsContact C-N 3.26Å; M473-A475 PolarHBondContact O-N 3.06Å; A475-K478 WeakPolarHBondContact O-CE 3.44Å
476	K	96.7	Very high	96.7	Very high	90 Å²	90	30.5 Å²	30.5	39%	0.391	15%	0.154	S	C	.	.	H	α-helix	trans	-111.1	-37.3	-166.9	-59.2	-66.4	-175.7	167.7	0	114.6	L446 N447 M472 M473 K478	L446-K476 WeakPolarHBondContact O-CB 3.01Å; N447-K476 WeakPolarHBondContact OD1-CE 3.3Å; M472-K476 HydrophobicContact CE-CG 4.03Å; M472-K476 WeakPolarHBondContact O-CB 3.48Å; M472-K476 PolarHBondContact O-N 2.89Å; M473-K476 PolarHBondContact O-N 3.07Å; K476-K478 PolarHBondContact O-N 3.09Å
477	C	96.6	Very high	96.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.158	C	C	.	.			trans	-97.2	61.5	-170.6	-62.5	0	0	0	0	111.6	M473 K479 L480 C503	M473-C477 WeakPolarHBondContact O-CA 3.48Å; M473-C477 WeakPolarHBondContact O-CB 3.45Å; M473-C477 PolarHBondContact O-N 3.19Å; C477-K479 PolarHBondContact O-N 2.65Å; C477-L480 WeakPolarHBondContact O-CB 3.08Å; C477-L480 PolarHBondContact O-N 2.81Å; C477-C503 PolarHBondContact O-SG 3.48Å
478	K	96.3	Very high	96.1	Very high	103 Å²	103	30 Å²	30	45%	0.448	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.3	-174.5	-57.8	-60.4	-171.1	173.7	0	114.4	G474 A475 K476 G502	G474-K478 WeakPolarHBondContact O-CE 3.46Å; G474-K478 PolarHBondContact O-NZ 3.02Å; A475-K478 WeakPolarHBondContact O-CE 3.44Å; K476-K478 PolarHBondContact O-N 3.09Å; K478-G502 WeakPolarHBondContact CD-O 3.21Å; K478-G502 PolarHBondContact NZ-O 3.28Å
479	K	97	Very high	95.4	Very high	86 Å²	86	31.7 Å²	31.7	37%	0.374	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.6	-179.6	-69.6	175.5	173.7	170.8	0	113.4	E451 L452 Q453 C477 R481	E451-K479 IonicContact OE1-NZ 2.76Å; E451-K479 PolarHBondContact OE1-NZ 3.14Å; E451-K479 WeakPolarHBondContact OE2-CD 3.33Å; E451-K479 IonicContact OE2-NZ 3.7Å; E451-K479 PolarHBondContact OE2-NZ 3.48Å; L452-K479 CarbonylContact O-C 3.53Å; L452-K479 VanDerWaalsContact O-C 3.32Å; Q453-K479 HydrophobicContact CG-CB 4.32Å; C477-K479 PolarHBondContact O-N 2.65Å; K479-R481 PolarHBondContact O-N 3.39Å
480	L	97.8	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-63	125.1	-176.6	-159.7	69.6	0	0	0	111.1	L452 L455 M473 C477 L483 C503 L505 L506	L452-L480 PolarHBondContact O-N 3.3Å; L455-L480 HydrophobicContact CB-CD1 4.05Å; M473-L480 HydrophobicContact SD-CD2 4.35Å; C477-L480 WeakPolarHBondContact O-CB 3.08Å; C477-L480 PolarHBondContact O-N 2.81Å; L480-L483 HydrophobicContact CD2-CB 4.02Å; L480-L483 HydrophobicContact CD2-CD1 4.31Å; L480-L483 HydrophobicContact CD2-CD2 4.15Å; L480-L483 HydrophobicContact CD2-CG 4.37Å; L480-C503 HydrophobicContact CB-CB 4.31Å; L480-L505 CarbonylContact O-C 3.45Å; L480-L505 VanDerWaalsContact O-C 3.26Å; L480-L506 HydrophobicContact CB-CD2 4.32Å; L480-L506 HydrophobicContact CD2-CD2 4.03Å; L480-L506 HydrophobicContact CG-CD2 3.92Å; L480-L506 PolarHBondContact O-N 3.18Å
481	R	97.5	Very high	94.8	Very high	84 Å²	84	36 Å²	36	32%	0.317	18%	0.177	S	C	.	.			trans	-112.7	-33.6	178.7	-66	-174	-178.7	-85.3	-4.5	112.7	Q453 K479 E507 E508	Q453-R481 WeakPolarHBondContact O-CA 3.26Å; Q453-R481 PolarHBondContact O-N 3.26Å; K479-R481 PolarHBondContact O-N 3.39Å; R481-E507 IonicContact CZ-OE1 2.74Å; R481-E507 IonicContact NH1-OE1 3.91Å; R481-E507 PolarHBondContact NH1-OE1 3.4Å; R481-E507 IonicContact NH1-OE2 3.52Å; R481-E507 WeakPolarHBondContact O-CA 3.36Å; R481-E507 PolarHBondContact O-N 2.96Å; R481-E508 PolarHBondContact O-N 3.37Å
482	S	97.8	Very high	94.7	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.1	178.8	-179.2	0	0	0	0	110.5	Q453 H454 L455 E508	Q453-S482 PolarHBondContact O-N 3.5Å; H454-S482 WeakPolarHBondContact CA-O 3.32Å; H454-S482 VanDerWaalsContact ND1-CB 3.27Å; H454-S482 WeakPolarHBondContact ND1-CB 3.5Å; L455-S482 PolarHBondContact N-O 2.57Å; S482-E508 WeakPolarHBondContact CA-O 3.17Å; S482-E508 WeakPolarHBondContact CB-OE2 3.42Å; S482-E508 PolarHBondContact OG-OE2 3.43Å
483	L	97.9	Very high	94.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.9	177.5	-179.4	62.6	0	0	0	110.5	L455 M473 L480 L485 L499 L506 E508 L509 D510	L455-L483 HydrophobicContact CB-CD1 3.99Å; L455-L483 HydrophobicContact CD2-CD1 4.12Å; L455-L483 HydrophobicContact CG-CD1 4.15Å; L455-L483 WeakPolarHBondContact O-CA 3.3Å; M473-L483 HydrophobicContact CE-CD1 4.24Å; M473-L483 HydrophobicContact CE-CD2 3.8Å; M473-L483 HydrophobicContact SD-CD1 3.73Å; M473-L483 HydrophobicContact SD-CD2 4.03Å; L480-L483 HydrophobicContact CD2-CB 4.02Å; L480-L483 HydrophobicContact CD2-CD1 4.31Å; L480-L483 HydrophobicContact CD2-CD2 4.15Å; L480-L483 HydrophobicContact CD2-CG 4.37Å; L483-L485 HydrophobicContact CD1-CD2 4.05Å; L483-L485 HydrophobicContact CD1-CG 4.23Å; L483-L485 HydrophobicContact CD2-CD1 3.79Å; L483-L485 HydrophobicContact CD2-CD2 4.35Å; L483-L485 HydrophobicContact CD2-CG 3.93Å; L483-L485 HydrophobicContact CG-CD1 4.28Å; L483-L485 HydrophobicContact CG-CD2 4.23Å; L483-L485 HydrophobicContact CG-CG 3.86Å; L483-L499 HydrophobicContact CD2-CD1 3.93Å; L483-L499 HydrophobicContact CD2-CD2 3.55Å; L483-L499 HydrophobicContact CD2-CG 4.36Å; L483-L506 HydrophobicContact CB-CD2 4.01Å; L483-E508 PolarHBondContact N-O 3.44Å; L483-L509 HydrophobicContact CB-CD1 4.07Å; L483-L509 HydrophobicContact CD2-CD1 4.06Å; L483-L509 HydrophobicContact CG-CD1 4.2Å; L483-L509 WeakPolarHBondContact O-CA 3.21Å; L483-D510 PolarHBondContact O-N 2.94Å
484	D	96.6	Very high	94.5	Very high	17 Å²	17	41.1 Å²	41.1	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110	173.4	166.7	25.4	0	0	0	110.6	R97 L455 S456 L457 G458 W486 D510	R97-D484 IonicContact CZ-OD1 3.39Å; R97-D484 IonicContact CZ-OD2 2.67Å; R97-D484 VanDerWaalsContact CZ-OD2 3.23Å; R97-D484 IonicContact NH1-OD1 3.85Å; R97-D484 IonicContact NH1-OD2 2.94Å; R97-D484 PolarHBondContact NH1-OD2 2.93Å; R97-D484 IonicContact NH2-OD1 3.43Å; R97-D484 PolarHBondContact NH2-OD1 2.96Å; R97-D484 IonicContact NH2-OD2 2.85Å; R97-D484 PolarHBondContact NH2-OD2 3.37Å; L455-D484 PolarHBondContact O-N 3.21Å; S456-D484 PolarHBondContact OG-OD2 3.37Å; L457-D484 PolarHBondContact N-O 3.04Å; G458-D484 PolarHBondContact N-O 2.85Å; D484-W486 WeakPolarHBondContact OD1-CB 3.22Å; D484-W486 PolarHBondContact OD1-N 3.12Å; D484-D510 HydrophobicContact CB-CB 4.4Å
485	L	96.3	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.			trans	-114.1	29.3	175	-62	178.3	0	0	0	111.7	L457 Y466 M473 L483 R487 C488 I491 D510 L511 C514	L457-L485 HydrophobicContact CB-CD2 4.25Å; L457-L485 HydrophobicContact CD1-CD2 4.04Å; Y466-L485 HydrophobicContact CD1-CD2 4.37Å; Y466-L485 HydrophobicContact CE1-CD2 4.42Å; M473-L485 HydrophobicContact CE-CD2 4.46Å; L483-L485 HydrophobicContact CD1-CD2 4.05Å; L483-L485 HydrophobicContact CD1-CG 4.23Å; L483-L485 HydrophobicContact CD2-CD1 3.79Å; L483-L485 HydrophobicContact CD2-CD2 4.35Å; L483-L485 HydrophobicContact CD2-CG 3.93Å; L483-L485 HydrophobicContact CG-CD1 4.28Å; L483-L485 HydrophobicContact CG-CD2 4.23Å; L483-L485 HydrophobicContact CG-CG 3.86Å; L485-R487 PolarHBondContact O-N 2.81Å; L485-R487 VanDerWaalsContact O-N 3.11Å; L485-C488 WeakPolarHBondContact CA-SG 3.29Å; L485-C488 HydrophobicContact CB-CB 4.04Å; L485-C488 WeakPolarHBondContact CB-SG 3.41Å; L485-C488 WeakPolarHBondContact O-CB 3.41Å; L485-C488 PolarHBondContact O-N 2.79Å; L485-C488 PolarHBondContact O-SG 3.47Å; L485-I491 HydrophobicContact CD1-CD1 3.56Å; L485-D510 CarbonylContact C-O 3.46Å; L485-D510 WeakPolarHBondContact CA-O 3.4Å; L485-D510 WeakPolarHBondContact CB-O 3.49Å; L485-D510 PolarHBondContact N-O 3.44Å; L485-L511 HydrophobicContact CB-CD2 4.17Å; L485-L511 HydrophobicContact CD1-CD2 3.95Å; L485-C514 PolarHBondContact O-SG 3.1Å; L485-C514 VanDerWaalsContact O-SG 3.34Å
486	W	93.1	Very high	94.5	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.019	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	120.6	177	-179.7	-88.8	0	0	0	110.9	Y64 G458 S459 D484 C488 G512 W513 T540	Y64-W486 HydrophobicContact CD2-CH2 4.03Å; Y64-W486 AromaticContact CD2-CZ2 3.89Å; Y64-W486 HydrophobicContact CD2-CZ2 3.89Å; Y64-W486 AromaticContact CE2-CH2 3.44Å; Y64-W486 HydrophobicContact CE2-CH2 3.44Å; Y64-W486 VanDerWaalsContact CE2-CH2 3.44Å; Y64-W486 AromaticContact CE2-CZ2 3.71Å; Y64-W486 HydrophobicContact CE2-CZ2 3.71Å; Y64-W486 HydrophobicContact CG-CZ2 4.46Å; Y64-W486 AromaticContact CZ-CH2 3.95Å; G458-W486 CarbonylContact C-O 3.54Å; G458-W486 WeakPolarHBondContact CA-O 3.37Å; S459-W486 PolarHBondContact N-O 3.15Å; D484-W486 WeakPolarHBondContact OD1-CB 3.22Å; D484-W486 PolarHBondContact OD1-N 3.12Å; W486-C488 VanDerWaalsContact C-N 3.29Å; W486-C488 PolarHBondContact O-N 3.48Å; W486-G512 WeakPolarHBondContact CA-O 3.15Å; W486-W513 AromaticContact CE2-CD1 3.5Å; W486-W513 AromaticContact CH2-CD1 3.32Å; W486-W513 AromaticContact CH2-NE1 3.36Å; W486-W513 AromaticContact CZ2-CD1 3.12Å; W486-W513 HydrophobicContact CZ2-CG 4.29Å; W486-W513 AromaticContact CZ2-NE1 3.24Å; W486-W513 AromaticContact CZ3-CD1 3.85Å; W486-T540 HydrophobicContact CH2-CG2 3.84Å; W486-T540 HydrophobicContact CZ3-CG2 4.08Å
487	R	90.3	Very high	94.5	Very high	24 Å²	24	35.3 Å²	35.3	9%	0.091	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	30.1	-177.2	-65.8	179.9	168.6	150.1	0.7	115.8	Y64 G65 S66 L485 K489 G512 W513	Y64-R487 PolarHBondContact O-NH1 3.27Å; Y64-R487 PolarHBondContact O-NH2 3.23Å; G65-R487 PolarHBondContact O-NH1 2.84Å; S66-R487 VanDerWaalsContact N-NH1 3.14Å; L485-R487 PolarHBondContact O-N 2.81Å; L485-R487 VanDerWaalsContact O-N 3.11Å; R487-K489 PolarHBondContact O-N 3.05Å; R487-K489 VanDerWaalsContact O-N 3.1Å; R487-G512 PolarHBondContact N-O 3.47Å; R487-W513 HydrophobicContact CG-CB 3.44Å; R487-W513 VanDerWaalsContact CG-CB 3.44Å; R487-W513 HydrophobicContact CG-CG 4.14Å
488	C	89.2	Confident	94.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.			trans	-68.7	110.3	166.1	-66.1	0	0	0	0	108.9	Y466 L485 W486 I491	Y466-C488 HydrophobicContact CD1-CB 3.58Å; Y466-C488 HydrophobicContact CD2-CB 4.05Å; Y466-C488 HydrophobicContact CE1-CB 3.52Å; Y466-C488 WeakPolarHBondContact CE1-SG 3.19Å; Y466-C488 HydrophobicContact CE2-CB 3.94Å; Y466-C488 HydrophobicContact CG-CB 3.82Å; L485-C488 WeakPolarHBondContact CA-SG 3.29Å; L485-C488 HydrophobicContact CB-CB 4.04Å; L485-C488 WeakPolarHBondContact CB-SG 3.41Å; L485-C488 WeakPolarHBondContact O-CB 3.41Å; L485-C488 PolarHBondContact O-N 2.79Å; L485-C488 PolarHBondContact O-SG 3.47Å; W486-C488 VanDerWaalsContact C-N 3.29Å; W486-C488 PolarHBondContact O-N 3.48Å; C488-I491 HydrophobicContact CB-CG2 4.36Å
489	K	80	Confident	94.6	Very high	104 Å²	104	34.3 Å²	34.3	45%	0.452	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	143.5	176.6	-63	176.9	-176.2	170.2	0	108.1	Y466 R487 I491	Y466-K489 WeakPolarHBondContact CD2-O 3.26Å; R487-K489 PolarHBondContact O-N 3.05Å; R487-K489 VanDerWaalsContact O-N 3.1Å; K489-I491 VanDerWaalsContact C-N 3.32Å; K489-I491 PolarHBondContact O-N 3.17Å
490	N	87.1	Confident	94.6	Very high	90 Å²	90	30.3 Å²	30.3	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	20.9	172.2	-43.8	-32	0	0	0	116.2	E464	E464-N490 PolarHBondContact O-ND2 3.41Å; E464-N490 VanDerWaalsContact O-ND2 3.1Å
491	I	94.9	Very high	94.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.			trans	-80.6	128.7	163.9	-171.4	163.8	0	0	0	109.9	A470 L485 C488 K489 I496 C514 T516 L517	A470-I491 HydrophobicContact CB-CD1 4.44Å; L485-I491 HydrophobicContact CD1-CD1 3.56Å; C488-I491 HydrophobicContact CB-CG2 4.36Å; K489-I491 VanDerWaalsContact C-N 3.32Å; K489-I491 PolarHBondContact O-N 3.17Å; I491-I496 HydrophobicContact CD1-CD1 3.56Å; I491-I496 HydrophobicContact CD1-CG1 4.2Å; I491-I496 HydrophobicContact CG1-CD1 4.09Å; I491-I496 HydrophobicContact CG1-CG1 4.19Å; I491-C514 HydrophobicContact CG2-CB 3.95Å; I491-T516 WeakPolarHBondContact O-CB 3.27Å; I491-T516 PolarHBondContact O-OG1 3.31Å; I491-L517 HydrophobicContact CG2-CD1 4.29Å; I491-L517 HydrophobicContact CG2-CD2 4.34Å; I491-L517 HydrophobicContact CG2-CG 4.24Å; I491-L517 WeakPolarHBondContact O-CD2 3.16Å
492	T	95.3	Very high	94.4	Very high	39 Å²	39	29.4 Å²	29.4	24%	0.239	16%	0.163	C	C	.	.			trans	-115.1	-178.8	-176.5	78.8	0	0	0	0	111.7	D467 S494 G495 I496	D467-T492 VanDerWaalsContact CG-OG1 3.29Å; D467-T492 PolarHBondContact OD1-N 3.44Å; D467-T492 PolarHBondContact OD1-OG1 2.76Å; D467-T492 WeakPolarHBondContact OD2-CB 3.27Å; D467-T492 VanDerWaalsContact OD2-CG2 3.3Å; D467-T492 WeakPolarHBondContact OD2-CG2 3.36Å; D467-T492 PolarHBondContact OD2-OG1 3.38Å; T492-S494 PolarHBondContact O-N 2.87Å; T492-S494 PolarHBondContact OG1-N 3.14Å; T492-G495 PolarHBondContact O-N 2.83Å; T492-I496 WeakPolarHBondContact O-CG1 3.39Å; T492-I496 PolarHBondContact O-N 3.25Å
493	E	95.1	Very high	94.4	Very high	83 Å²	83	28.7 Å²	28.7	39%	0.388	16%	0.158	S	C	.	.	H	α-helix	trans	-58.3	-29.9	173.6	68.7	-82.6	-169.8	0	0	113.7	A497 T521 C523	E493-A497 VanDerWaalsContact O-CB 3.24Å; E493-A497 WeakPolarHBondContact O-CB 3.4Å; E493-A497 PolarHBondContact O-N 3.26Å; E493-T521 WeakPolarHBondContact CB-OG1 3.26Å; E493-T521 HydrophobicContact CG-CG2 4.41Å; E493-C523 HydrophobicContact CB-CB 3.73Å
494	S	95.8	Very high	94.3	Very high	61 Å²	61	33.8 Å²	33.8	43%	0.427	18%	0.181	S	C	.	.	H	α-helix	trans	-67.7	-50.4	-179.2	-165.3	0	0	0	0	110.5	T492 I496 A497 E498	T492-S494 PolarHBondContact O-N 2.87Å; T492-S494 PolarHBondContact OG1-N 3.14Å; S494-I496 VanDerWaalsContact C-N 3.33Å; S494-I496 PolarHBondContact O-N 3.21Å; S494-A497 PolarHBondContact O-N 3.47Å; S494-E498 WeakPolarHBondContact O-CG 3.44Å; S494-E498 PolarHBondContact O-N 3.21Å
495	G	96.4	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-43.5	177	0	0	0	0	0	112.2	D467 A470 T492 A497 E498 L499	D467-G495 VanDerWaalsContact OD1-CA 3.27Å; D467-G495 WeakPolarHBondContact OD1-CA 3.33Å; D467-G495 PolarHBondContact OD1-N 2.74Å; A470-G495 WeakPolarHBondContact CB-O 3.47Å; T492-G495 PolarHBondContact O-N 2.83Å; G495-A497 PolarHBondContact O-N 3.18Å; G495-E498 PolarHBondContact O-N 3.32Å; G495-L499 VanDerWaalsContact O-CB 3.26Å; G495-L499 WeakPolarHBondContact O-CB 3.23Å; G495-L499 PolarHBondContact O-N 2.66Å
496	I	97.1	Very high	94.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.4	-64.6	-62.4	0	0	0	111.8	I491 T492 S494 L499 A500 L511 L517 L527	I491-I496 HydrophobicContact CD1-CD1 3.56Å; I491-I496 HydrophobicContact CD1-CG1 4.2Å; I491-I496 HydrophobicContact CG1-CD1 4.09Å; I491-I496 HydrophobicContact CG1-CG1 4.19Å; T492-I496 WeakPolarHBondContact O-CG1 3.39Å; T492-I496 PolarHBondContact O-N 3.25Å; S494-I496 VanDerWaalsContact C-N 3.33Å; S494-I496 PolarHBondContact O-N 3.21Å; I496-L499 PolarHBondContact O-N 3.45Å; I496-A500 VanDerWaalsContact O-CB 3.24Å; I496-A500 WeakPolarHBondContact O-CB 3.34Å; I496-A500 PolarHBondContact O-N 3.18Å; I496-L511 HydrophobicContact CD1-CD1 3.96Å; I496-L511 HydrophobicContact CD1-CD2 3.69Å; I496-L517 HydrophobicContact CD1-CD1 4.44Å; I496-L517 HydrophobicContact CG1-CD1 4.39Å; I496-L517 HydrophobicContact CG1-CD2 3.73Å; I496-L527 HydrophobicContact CG2-CB 4.08Å; I496-L527 HydrophobicContact CG2-CD1 3.82Å; I496-L527 HydrophobicContact CG2-CG 4.42Å
497	A	96.6	Very high	94.6	Very high	26 Å²	26	37.4 Å²	37.4	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-43	178.7	0	0	0	0	0	112.2	E493 S494 G495 S501 N526	E493-A497 VanDerWaalsContact O-CB 3.24Å; E493-A497 WeakPolarHBondContact O-CB 3.4Å; E493-A497 PolarHBondContact O-N 3.26Å; S494-A497 PolarHBondContact O-N 3.47Å; G495-A497 PolarHBondContact O-N 3.18Å; A497-S501 VanDerWaalsContact O-CB 3.27Å; A497-S501 WeakPolarHBondContact O-CB 3.07Å; A497-S501 PolarHBondContact O-N 3.37Å; A497-S501 PolarHBondContact O-OG 3.09Å; A497-N526 VanDerWaalsContact CB-ND2 3.28Å; A497-N526 WeakPolarHBondContact CB-ND2 3.42Å
498	E	97.1	Very high	94.9	Very high	81 Å²	81	36.9 Å²	36.9	38%	0.379	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-44.6	177.7	-70.1	-174.2	-133.7	0	0	111.9	S471 S494 G495 S501 G502	S471-E498 WeakPolarHBondContact CA-OE2 3.37Å; S471-E498 WeakPolarHBondContact CB-OE2 3.47Å; S471-E498 PolarHBondContact OG-OE2 3.36Å; S494-E498 WeakPolarHBondContact O-CG 3.44Å; S494-E498 PolarHBondContact O-N 3.21Å; G495-E498 PolarHBondContact O-N 3.32Å; E498-S501 PolarHBondContact O-N 3.1Å; E498-G502 PolarHBondContact O-N 3Å
499	L	97.3	Very high	95.3	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-52.9	174.4	177.1	69.2	0	0	0	111.2	A470 M473 L483 G495 I496 S501 G502 C503 L506	A470-L499 HydrophobicContact CB-CB 4.21Å; M473-L499 HydrophobicContact CB-CD1 3.9Å; M473-L499 HydrophobicContact CE-CD1 4.12Å; L483-L499 HydrophobicContact CD2-CD1 3.93Å; L483-L499 HydrophobicContact CD2-CD2 3.55Å; L483-L499 HydrophobicContact CD2-CG 4.36Å; G495-L499 VanDerWaalsContact O-CB 3.26Å; G495-L499 WeakPolarHBondContact O-CB 3.23Å; G495-L499 PolarHBondContact O-N 2.66Å; I496-L499 PolarHBondContact O-N 3.45Å; L499-S501 VanDerWaalsContact C-N 3.29Å; L499-S501 PolarHBondContact O-N 3.24Å; L499-G502 PolarHBondContact O-N 3.14Å; L499-G502 VanDerWaalsContact O-N 3.15Å; L499-C503 HydrophobicContact CD1-CB 4.3Å; L499-C503 WeakPolarHBondContact O-CB 3.23Å; L499-C503 PolarHBondContact O-N 3.12Å; L499-L506 HydrophobicContact CG-CD1 4.31Å
500	A	96.9	Very high	96.1	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-34.8	-177.1	0	0	0	0	0	112	I496 G502 K530 L531	I496-A500 VanDerWaalsContact O-CB 3.24Å; I496-A500 WeakPolarHBondContact O-CB 3.34Å; I496-A500 PolarHBondContact O-N 3.18Å; A500-G502 VanDerWaalsContact C-N 3.33Å; A500-K530 HydrophobicContact CB-CB 3.88Å; A500-L531 HydrophobicContact CB-CD1 4.32Å; A500-L531 HydrophobicContact CB-CD2 4.28Å; A500-L531 HydrophobicContact CB-CG 4.11Å
501	S	96.1	Very high	96.6	Very high	54 Å²	54	28.4 Å²	28.4	38%	0.378	16%	0.158	S	C	.	.	H	α-helix	trans	-68	-34.8	175.5	-62.4	0	0	0	0	112.2	A497 E498 L499 Q504	A497-S501 VanDerWaalsContact O-CB 3.27Å; A497-S501 WeakPolarHBondContact O-CB 3.07Å; A497-S501 PolarHBondContact O-N 3.37Å; A497-S501 PolarHBondContact O-OG 3.09Å; E498-S501 PolarHBondContact O-N 3.1Å; L499-S501 VanDerWaalsContact C-N 3.29Å; L499-S501 PolarHBondContact O-N 3.24Å; S501-Q504 PolarHBondContact O-NE2 2.93Å; S501-Q504 VanDerWaalsContact O-NE2 3.1Å
502	G	96	Very high	96.5	Very high	10 Å²	10	28.4 Å²	28.4	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-87.3	-37.3	-176.6	0	0	0	0	0	115.5	G474 K478 E498 L499 A500	G474-G502 VanDerWaalsContact O-CA 3.23Å; G474-G502 WeakPolarHBondContact O-CA 3.3Å; K478-G502 WeakPolarHBondContact CD-O 3.21Å; K478-G502 PolarHBondContact NZ-O 3.28Å; E498-G502 PolarHBondContact O-N 3Å; L499-G502 PolarHBondContact O-N 3.14Å; L499-G502 VanDerWaalsContact O-N 3.15Å; A500-G502 VanDerWaalsContact C-N 3.33Å
503	C	97.2	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.			trans	-111.4	60	-170.6	-62	0	0	0	0	112	C477 L480 L499 L505 L506 L531	C477-C503 PolarHBondContact O-SG 3.48Å; L480-C503 HydrophobicContact CB-CB 4.31Å; L499-C503 HydrophobicContact CD1-CB 4.3Å; L499-C503 WeakPolarHBondContact O-CB 3.23Å; L499-C503 PolarHBondContact O-N 3.12Å; C503-L505 PolarHBondContact O-N 2.99Å; C503-L505 VanDerWaalsContact O-N 3.13Å; C503-L506 HydrophobicContact CB-CD1 3.76Å; C503-L506 HydrophobicContact CB-CG 3.91Å; C503-L506 WeakPolarHBondContact O-CB 3.49Å; C503-L506 VanDerWaalsContact O-CG 3.27Å; C503-L506 WeakPolarHBondContact O-CG 3.44Å; C503-L506 PolarHBondContact O-N 3.36Å; C503-L506 VanDerWaalsContact O-N 3.14Å; C503-L531 WeakPolarHBondContact O-CD2 3.4Å
504	Q	96.4	Very high	96.2	Very high	108 Å²	108	26.3 Å²	26.3	51%	0.505	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.4	-175.1	-62.4	172.2	6.1	0	0	114.7	S501 L506 N533	S501-Q504 PolarHBondContact O-NE2 2.93Å; S501-Q504 VanDerWaalsContact O-NE2 3.1Å; Q504-L506 VanDerWaalsContact C-N 3.31Å; Q504-N533 PolarHBondContact O-ND2 3.31Å
505	L	96.8	Very high	95.9	Very high	71 Å²	71	28.2 Å²	28.2	37%	0.372	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.8	173.8	-63.5	-176.8	0	0	0	113.1	L480 C503 E507	L480-L505 CarbonylContact O-C 3.45Å; L480-L505 VanDerWaalsContact O-C 3.26Å; C503-L505 PolarHBondContact O-N 2.99Å; C503-L505 VanDerWaalsContact O-N 3.13Å; L505-E507 PolarHBondContact O-N 3.11Å
506	L	97.8	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.			trans	-60.4	126.8	176.7	-79.7	169.9	0	0	0	111.1	L480 L483 L499 C503 Q504 L531 N533	L480-L506 HydrophobicContact CB-CD2 4.32Å; L480-L506 HydrophobicContact CD2-CD2 4.03Å; L480-L506 HydrophobicContact CG-CD2 3.92Å; L480-L506 PolarHBondContact O-N 3.18Å; L483-L506 HydrophobicContact CB-CD2 4.01Å; L499-L506 HydrophobicContact CG-CD1 4.31Å; C503-L506 HydrophobicContact CB-CD1 3.76Å; C503-L506 HydrophobicContact CB-CG 3.91Å; C503-L506 WeakPolarHBondContact O-CB 3.49Å; C503-L506 VanDerWaalsContact O-CG 3.27Å; C503-L506 WeakPolarHBondContact O-CG 3.44Å; C503-L506 PolarHBondContact O-N 3.36Å; C503-L506 VanDerWaalsContact O-N 3.14Å; Q504-L506 VanDerWaalsContact C-N 3.31Å; L506-L531 HydrophobicContact CB-CD1 4.17Å; L506-L531 HydrophobicContact CB-CD2 4.12Å; L506-L531 HydrophobicContact CD1-CD1 4Å; L506-L531 HydrophobicContact CD1-CD2 4.32Å; L506-N533 CarbonylContact O-C 2.96Å
507	E	97.3	Very high	95.5	Very high	27 Å²	27	30.7 Å²	30.7	13%	0.126	17%	0.168	C	C	.	.			trans	-113.3	-24.7	176.8	-68.5	166.3	-176.2	0	0	110.7	P107 R481 L505 N533 Q535 K536	P107-E507 WeakPolarHBondContact CB-OE2 3.18Å; P107-E507 HydrophobicContact CG-CB 3.98Å; P107-E507 WeakPolarHBondContact CG-OE2 3.38Å; R481-E507 IonicContact CZ-OE1 2.74Å; R481-E507 IonicContact NH1-OE1 3.91Å; R481-E507 PolarHBondContact NH1-OE1 3.4Å; R481-E507 IonicContact NH1-OE2 3.52Å; R481-E507 WeakPolarHBondContact O-CA 3.36Å; R481-E507 PolarHBondContact O-N 2.96Å; L505-E507 PolarHBondContact O-N 3.11Å; E507-N533 HydrophobicContact CG-CB 4.4Å; E507-Q535 HydrophobicContact CB-CG 4.47Å; E507-Q535 CarbonylContact O-C 3.58Å; E507-Q535 WeakPolarHBondContact O-CA 3.43Å; E507-Q535 WeakPolarHBondContact O-CB 3.49Å; E507-Q535 PolarHBondContact O-N 3.13Å; E507-K536 PolarHBondContact O-N 3.24Å
508	E	97.3	Very high	95.3	Very high	14 Å²	14	34 Å²	34	7%	0.065	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.4	179.5	-55.7	167.3	-155.7	0	0	111	C106 P107 S108 R481 S482 L483 K536	C106-E508 VanDerWaalsContact CB-CD 3.48Å; C106-E508 HydrophobicContact CB-CG 4.49Å; C106-E508 WeakPolarHBondContact CB-OE1 3.45Å; P107-E508 WeakPolarHBondContact CA-OE1 3.45Å; P107-E508 WeakPolarHBondContact CB-OE1 3.25Å; P107-E508 WeakPolarHBondContact CD-OE1 3.46Å; S108-E508 WeakPolarHBondContact CB-OE1 3.42Å; S108-E508 WeakPolarHBondContact CB-OE2 3.11Å; S108-E508 PolarHBondContact N-OE1 3.16Å; S108-E508 VanDerWaalsContact OG-CD 3.26Å; S108-E508 PolarHBondContact OG-OE1 3.45Å; S108-E508 PolarHBondContact OG-OE2 2.98Å; R481-E508 PolarHBondContact O-N 3.37Å; S482-E508 WeakPolarHBondContact CA-O 3.17Å; S482-E508 WeakPolarHBondContact CB-OE2 3.42Å; S482-E508 PolarHBondContact OG-OE2 3.43Å; L483-E508 PolarHBondContact N-O 3.44Å; E508-K536 WeakPolarHBondContact CA-O 3.43Å; E508-K536 HydrophobicContact CB-CB 4.23Å; E508-K536 HydrophobicContact CG-CB 4.04Å; E508-K536 HydrophobicContact CG-CD 4.06Å; E508-K536 HydrophobicContact CG-CG 4.08Å
509	L	97.6	Very high	95.1	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	120.4	178	-178.3	55.6	0	0	0	110.6	L483 L511 L527 L531 L534 K536 L537 F538	L483-L509 HydrophobicContact CB-CD1 4.07Å; L483-L509 HydrophobicContact CD2-CD1 4.06Å; L483-L509 HydrophobicContact CG-CD1 4.2Å; L483-L509 WeakPolarHBondContact O-CA 3.21Å; L509-L511 HydrophobicContact CD1-CD2 4.05Å; L509-L511 HydrophobicContact CD1-CG 4.16Å; L509-L511 HydrophobicContact CD2-CD1 4.01Å; L509-L511 HydrophobicContact CD2-CG 4.26Å; L509-L511 HydrophobicContact CG-CD1 4.2Å; L509-L511 HydrophobicContact CG-CD2 4.33Å; L509-L511 HydrophobicContact CG-CG 3.91Å; L509-L527 HydrophobicContact CD2-CD1 3.61Å; L509-L527 HydrophobicContact CD2-CG 4.3Å; L509-L531 HydrophobicContact CD2-CD1 4.28Å; L509-L534 HydrophobicContact CB-CD1 4.07Å; L509-K536 PolarHBondContact N-O 3.44Å; L509-L537 HydrophobicContact CB-CD1 4.19Å; L509-L537 HydrophobicContact CD2-CD1 4.44Å; L509-L537 HydrophobicContact CG-CD1 4.31Å; L509-L537 WeakPolarHBondContact O-CA 3.43Å; L509-F538 PolarHBondContact O-N 3.25Å
510	D	96.4	Very high	95	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.059	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.6	172.7	-171.4	-9.8	0	0	0	109.6	R97 L483 D484 L485 G512 F538	R97-D510 IonicContact NH2-OD2 3.25Å; R97-D510 PolarHBondContact NH2-OD2 3.07Å; L483-D510 PolarHBondContact O-N 2.94Å; D484-D510 HydrophobicContact CB-CB 4.4Å; L485-D510 CarbonylContact C-O 3.46Å; L485-D510 WeakPolarHBondContact CA-O 3.4Å; L485-D510 WeakPolarHBondContact CB-O 3.49Å; L485-D510 PolarHBondContact N-O 3.44Å; D510-G512 PolarHBondContact OD1-N 3.37Å; D510-F538 HydrophobicContact CB-CB 4.36Å; D510-F538 HydrophobicContact CB-CD2 4.32Å
511	L	96.4	Very high	94.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.			trans	-115.6	23.3	174.6	-61.5	172.7	0	0	0	110.8	L485 I496 L509 C514 L517 F524 L527 F538 L539 N542	L485-L511 HydrophobicContact CB-CD2 4.17Å; L485-L511 HydrophobicContact CD1-CD2 3.95Å; I496-L511 HydrophobicContact CD1-CD1 3.96Å; I496-L511 HydrophobicContact CD1-CD2 3.69Å; L509-L511 HydrophobicContact CD1-CD2 4.05Å; L509-L511 HydrophobicContact CD1-CG 4.16Å; L509-L511 HydrophobicContact CD2-CD1 4.01Å; L509-L511 HydrophobicContact CD2-CG 4.26Å; L509-L511 HydrophobicContact CG-CD1 4.2Å; L509-L511 HydrophobicContact CG-CD2 4.33Å; L509-L511 HydrophobicContact CG-CG 3.91Å; L511-C514 WeakPolarHBondContact O-CB 3.24Å; L511-C514 PolarHBondContact O-SG 3.3Å; L511-L517 HydrophobicContact CB-CD1 4.14Å; L511-L517 HydrophobicContact CD1-CD1 4.05Å; L511-L517 HydrophobicContact CD2-CD1 4.28Å; L511-L517 HydrophobicContact CG-CD1 4.39Å; L511-F524 HydrophobicContact CD1-CE1 4.42Å; L511-L527 HydrophobicContact CD1-CD1 3.83Å; L511-F538 CarbonylContact C-O 3.51Å; L511-F538 WeakPolarHBondContact CA-O 3.32Å; L511-F538 PolarHBondContact N-O 2.63Å; L511-L539 HydrophobicContact CB-CD2 4.13Å; L511-L539 HydrophobicContact CD1-CD2 4.21Å; L511-N542 PolarHBondContact O-ND2 3.01Å
512	G	93.9	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	137.9	179.5	0	0	0	0	0	111.7	W486 R487 D510 C514 F538 T540	W486-G512 WeakPolarHBondContact CA-O 3.15Å; R487-G512 PolarHBondContact N-O 3.47Å; D510-G512 PolarHBondContact OD1-N 3.37Å; G512-C514 VanDerWaalsContact C-N 3.33Å; G512-C514 PolarHBondContact O-N 3.32Å; G512-F538 PolarHBondContact N-O 2.95Å; G512-T540 CarbonylContact C-O 3.56Å; G512-T540 WeakPolarHBondContact CA-O 3.16Å
513	W	90.8	Very high	94.6	Very high	79 Å²	79	36.6 Å²	36.6	30%	0.299	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	38.1	177.9	-61.2	85.5	0	0	0	114.7	Y64 W486 R487 P515 T540 A541	Y64-W513 AromaticContact CE1-CZ2 3.84Å; Y64-W513 HydrophobicContact CE1-CZ2 3.84Å; Y64-W513 AromaticContact CZ-NE1 3.83Å; W486-W513 AromaticContact CE2-CD1 3.5Å; W486-W513 AromaticContact CH2-CD1 3.32Å; W486-W513 AromaticContact CH2-NE1 3.36Å; W486-W513 AromaticContact CZ2-CD1 3.12Å; W486-W513 HydrophobicContact CZ2-CG 4.29Å; W486-W513 AromaticContact CZ2-NE1 3.24Å; W486-W513 AromaticContact CZ3-CD1 3.85Å; R487-W513 HydrophobicContact CG-CB 3.44Å; R487-W513 VanDerWaalsContact CG-CB 3.44Å; R487-W513 HydrophobicContact CG-CG 4.14Å; W513-P515 WeakPolarHBondContact O-CD 3.48Å; W513-T540 PolarHBondContact N-O 2.88Å; W513-A541 HydrophobicContact CD2-CB 3.66Å; W513-A541 HydrophobicContact CE3-CB 3.81Å; W513-A541 HydrophobicContact CG-CB 4.17Å; W513-A541 HydrophobicContact CH2-CB 4.17Å; W513-A541 HydrophobicContact CZ2-CB 4.03Å; W513-A541 HydrophobicContact CZ3-CB 4.06Å
514	C	92.8	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.			trans	-99.7	84.9	173	-67.9	0	0	0	0	110.7	L485 I491 L511 G512 T516 L517 N542	L485-C514 PolarHBondContact O-SG 3.1Å; L485-C514 VanDerWaalsContact O-SG 3.34Å; I491-C514 HydrophobicContact CG2-CB 3.95Å; L511-C514 WeakPolarHBondContact O-CB 3.24Å; L511-C514 PolarHBondContact O-SG 3.3Å; G512-C514 VanDerWaalsContact C-N 3.33Å; G512-C514 PolarHBondContact O-N 3.32Å; C514-T516 PolarHBondContact O-N 3Å; C514-L517 HydrophobicContact CB-CD1 3.75Å; C514-L517 HydrophobicContact CB-CG 4.05Å; C514-L517 PolarHBondContact O-N 3.22Å; C514-L517 VanDerWaalsContact O-N 3.17Å; C514-N542 PolarHBondContact O-OD1 3.28Å; C514-N542 VanDerWaalsContact O-OD1 3.05Å
515	P	89	Confident	94.6	Very high	101 Å²	101	32.5 Å²	32.5	66%	0.656	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.3	-164.5	29.3	-38.4	0	0	0	115.2	W513	W513-P515 WeakPolarHBondContact O-CD 3.48Å
516	T	92.7	Very high	94.5	Very high	50 Å²	50	31.5 Å²	31.5	31%	0.307	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.6	-179.9	39.5	0	0	0	0	113	I491 C514	I491-T516 WeakPolarHBondContact O-CB 3.27Å; I491-T516 PolarHBondContact O-OG1 3.31Å; C514-T516 PolarHBondContact O-N 3Å
517	L	93.9	Very high	94.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	18%	0.184	C	C	.	.			trans	-76.8	127.6	178.5	-61.8	-179.9	0	0	0	111	I491 I496 L511 C514 F524 S544	I491-L517 HydrophobicContact CG2-CD1 4.29Å; I491-L517 HydrophobicContact CG2-CD2 4.34Å; I491-L517 HydrophobicContact CG2-CG 4.24Å; I491-L517 WeakPolarHBondContact O-CD2 3.16Å; I496-L517 HydrophobicContact CD1-CD1 4.44Å; I496-L517 HydrophobicContact CG1-CD1 4.39Å; I496-L517 HydrophobicContact CG1-CD2 3.73Å; L511-L517 HydrophobicContact CB-CD1 4.14Å; L511-L517 HydrophobicContact CD1-CD1 4.05Å; L511-L517 HydrophobicContact CD2-CD1 4.28Å; L511-L517 HydrophobicContact CG-CD1 4.39Å; C514-L517 HydrophobicContact CB-CD1 3.75Å; C514-L517 HydrophobicContact CB-CG 4.05Å; C514-L517 PolarHBondContact O-N 3.22Å; C514-L517 VanDerWaalsContact O-N 3.17Å; L517-F524 HydrophobicContact CB-CE1 4.4Å; L517-F524 HydrophobicContact CB-CZ 3.87Å; L517-F524 HydrophobicContact CD1-CE1 4.27Å; L517-F524 HydrophobicContact CD1-CZ 4.5Å; L517-S544 PolarHBondContact O-OG 2.73Å
518	Q	92.5	Very high	94.5	Very high	97 Å²	97	30.3 Å²	30.3	45%	0.453	18%	0.178	S	C	.	.			trans	-130	132.1	-177.1	-63.8	-168.6	-18.5	0	0	111.5	S520 T521 C523 S544	Q518-S520 PolarHBondContact O-N 3.17Å; Q518-T521 HydrophobicContact CB-CG2 4.26Å; Q518-T521 PolarHBondContact O-N 3.15Å; Q518-T521 PolarHBondContact O-OG1 3.15Å; Q518-C523 PolarHBondContact O-SG 3.41Å; Q518-S544 WeakPolarHBondContact CA-OG 3.44Å
519	S	93.1	Very high	94.5	Very high	17 Å²	17	36.1 Å²	36.1	12%	0.119	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55	-36.9	173.1	178.7	0	0	0	0	112.9	T521 G522 S544 C546 D549	S519-T521 PolarHBondContact O-N 3.38Å; S519-T521 VanDerWaalsContact O-N 3.1Å; S519-G522 PolarHBondContact O-N 3.16Å; S519-S544 WeakPolarHBondContact CB-O 3.43Å; S519-S544 PolarHBondContact N-OG 2.79Å; S519-S544 VanDerWaalsContact N-OG 3.17Å; S519-C546 PolarHBondContact OG-SG 3.03Å; S519-D549 WeakPolarHBondContact CB-OD2 3.27Å; S519-D549 PolarHBondContact OG-OD1 3.04Å; S519-D549 VanDerWaalsContact OG-OD1 3.12Å; S519-D549 PolarHBondContact OG-OD2 3.27Å
520	S	93.4	Very high	94.4	Very high	105 Å²	105	40.2 Å²	40.2	73%	0.734	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-61.7	-20.5	-178.9	52	0	0	0	0	114.7	Q518 G522	Q518-S520 PolarHBondContact O-N 3.17Å; S520-G522 VanDerWaalsContact C-N 3.29Å
521	T	93.6	Very high	94.5	Very high	57 Å²	57	39.8 Å²	39.8	35%	0.35	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-84.3	-7.4	174.9	65.1	0	0	0	0	112.5	E493 Q518 S519 C523	E493-T521 WeakPolarHBondContact CB-OG1 3.26Å; E493-T521 HydrophobicContact CG-CG2 4.41Å; Q518-T521 HydrophobicContact CB-CG2 4.26Å; Q518-T521 PolarHBondContact O-N 3.15Å; Q518-T521 PolarHBondContact O-OG1 3.15Å; S519-T521 PolarHBondContact O-N 3.38Å; S519-T521 VanDerWaalsContact O-N 3.1Å; T521-C523 VanDerWaalsContact C-N 3.28Å; T521-C523 PolarHBondContact O-N 3.14Å
522	G	93.2	Very high	94.5	Very high	22 Å²	22	42.8 Å²	42.8	23%	0.227	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	15.3	-175.7	0	0	0	0	0	113.9	S519 S520 F524 T525 N526	S519-G522 PolarHBondContact O-N 3.16Å; S520-G522 VanDerWaalsContact C-N 3.29Å; G522-F524 PolarHBondContact O-N 2.97Å; G522-T525 WeakPolarHBondContact CA-OG1 3.41Å; G522-T525 PolarHBondContact O-N 3.45Å; G522-T525 PolarHBondContact O-OG1 2.75Å; G522-N526 WeakPolarHBondContact O-CB 3.37Å; G522-N526 PolarHBondContact O-N 3.24Å
523	C	94.8	Very high	94.5	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-46.9	-177.6	61.4	0	0	0	0	112.8	E493 Q518 T521 L527	E493-C523 HydrophobicContact CB-CB 3.73Å; Q518-C523 PolarHBondContact O-SG 3.41Å; T521-C523 VanDerWaalsContact C-N 3.28Å; T521-C523 PolarHBondContact O-N 3.14Å; C523-L527 VanDerWaalsContact O-CB 3.28Å; C523-L527 WeakPolarHBondContact O-CB 3.35Å; C523-L527 PolarHBondContact O-N 3.27Å
524	F	96.4	Very high	94.9	Very high	3 Å²	3	41 Å²	41	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-72.4	-36.6	-179.2	-55.6	-58.2	0	0	0	112.6	L511 L517 G522 L527 A528 L539 N542 V545 D549	L511-F524 HydrophobicContact CD1-CE1 4.42Å; L517-F524 HydrophobicContact CB-CE1 4.4Å; L517-F524 HydrophobicContact CB-CZ 3.87Å; L517-F524 HydrophobicContact CD1-CE1 4.27Å; L517-F524 HydrophobicContact CD1-CZ 4.5Å; G522-F524 PolarHBondContact O-N 2.97Å; F524-L527 PolarHBondContact O-N 2.93Å; F524-A528 WeakPolarHBondContact O-CB 3.42Å; F524-A528 PolarHBondContact O-N 3.43Å; F524-L539 HydrophobicContact CD1-CD1 4.25Å; F524-L539 HydrophobicContact CD1-CD2 3.94Å; F524-L539 HydrophobicContact CE1-CD1 4.37Å; F524-L539 HydrophobicContact CE1-CD2 3.58Å; F524-L539 HydrophobicContact CZ-CD2 4.39Å; F524-N542 HydrophobicContact CZ-CB 4.21Å; F524-V545 HydrophobicContact CD2-CG2 4.02Å; F524-V545 HydrophobicContact CE2-CG2 3.63Å; F524-V545 HydrophobicContact CZ-CG2 4.05Å; F524-D549 HydrophobicContact CB-CB 3.98Å
525	T	96.3	Very high	95	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-41.9	176.2	62.5	0	0	0	0	111.8	G522 A528 R529 T548 D549 E552	G522-T525 WeakPolarHBondContact CA-OG1 3.41Å; G522-T525 PolarHBondContact O-N 3.45Å; G522-T525 PolarHBondContact O-OG1 2.75Å; T525-A528 PolarHBondContact O-N 2.92Å; T525-R529 WeakPolarHBondContact O-CG 3.41Å; T525-R529 PolarHBondContact O-N 3.37Å; T525-R529 VanDerWaalsContact O-N 3.16Å; T525-T548 HydrophobicContact CG2-CG2 4.26Å; T525-D549 WeakPolarHBondContact CG2-OD1 3.33Å; T525-E552 HydrophobicContact CG2-CB 4.23Å; T525-E552 HydrophobicContact CG2-CG 3.82Å
526	N	95.8	Very high	95.3	Very high	49 Å²	49	38 Å²	38	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-44	174.5	-174.3	29.3	0	0	0	111.4	A497 G522 A528 R529 K530	A497-N526 VanDerWaalsContact CB-ND2 3.28Å; A497-N526 WeakPolarHBondContact CB-ND2 3.42Å; G522-N526 WeakPolarHBondContact O-CB 3.37Å; G522-N526 PolarHBondContact O-N 3.24Å; N526-A528 PolarHBondContact O-N 3.04Å; N526-R529 PolarHBondContact O-N 3.27Å; N526-K530 VanDerWaalsContact O-CG 3.3Å; N526-K530 WeakPolarHBondContact O-CG 3.41Å; N526-K530 PolarHBondContact O-N 2.94Å; N526-K530 VanDerWaalsContact O-N 3.16Å
527	L	97	Very high	95.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-50.5	174.7	-179.7	163.5	0	0	0	111.2	I496 L509 L511 C523 F524 R529 K530 L531 L534	I496-L527 HydrophobicContact CG2-CB 4.08Å; I496-L527 HydrophobicContact CG2-CD1 3.82Å; I496-L527 HydrophobicContact CG2-CG 4.42Å; L509-L527 HydrophobicContact CD2-CD1 3.61Å; L509-L527 HydrophobicContact CD2-CG 4.3Å; L511-L527 HydrophobicContact CD1-CD1 3.83Å; C523-L527 VanDerWaalsContact O-CB 3.28Å; C523-L527 WeakPolarHBondContact O-CB 3.35Å; C523-L527 PolarHBondContact O-N 3.27Å; F524-L527 PolarHBondContact O-N 2.93Å; L527-R529 VanDerWaalsContact C-N 3.33Å; L527-R529 PolarHBondContact O-N 3.2Å; L527-K530 PolarHBondContact O-N 3.39Å; L527-K530 VanDerWaalsContact O-N 3.14Å; L527-L531 HydrophobicContact CD2-CD1 3.99Å; L527-L531 HydrophobicContact CG-CD1 3.9Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.38Å; L527-L534 HydrophobicContact CD2-CD2 4.02Å
528	A	97.3	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.9	-45.2	-179.9	0	0	0	0	0	112.2	F524 T525 N526 K530 E552 L553 N556 C557	F524-A528 WeakPolarHBondContact O-CB 3.42Å; F524-A528 PolarHBondContact O-N 3.43Å; T525-A528 PolarHBondContact O-N 2.92Å; N526-A528 PolarHBondContact O-N 3.04Å; A528-K530 VanDerWaalsContact C-N 3.28Å; A528-K530 PolarHBondContact O-N 2.9Å; A528-E552 HydrophobicContact CB-CB 4.2Å; A528-L553 HydrophobicContact CB-CD2 3.74Å; A528-L553 HydrophobicContact CB-CG 4.12Å; A528-N556 VanDerWaalsContact O-CB 3.23Å; A528-N556 WeakPolarHBondContact O-CB 3.37Å; A528-C557 PolarHBondContact O-SG 3.04Å
529	R	96.9	Very high	95.8	Very high	136 Å²	136	31.8 Å²	31.8	51%	0.513	17%	0.174	S	C	.	.	H	α-helix	trans	-67.7	-25.5	180	-69.2	173.4	-172.2	158.1	-1.5	113.9	T525 N526 L527 E552	T525-R529 WeakPolarHBondContact O-CG 3.41Å; T525-R529 PolarHBondContact O-N 3.37Å; T525-R529 VanDerWaalsContact O-N 3.16Å; N526-R529 PolarHBondContact O-N 3.27Å; L527-R529 VanDerWaalsContact C-N 3.33Å; L527-R529 PolarHBondContact O-N 3.2Å; R529-E552 IonicContact CZ-OE1 3.96Å; R529-E552 IonicContact CZ-OE2 3.93Å; R529-E552 IonicContact NE-OE1 3.76Å; R529-E552 IonicContact NE-OE2 3.89Å; R529-E552 PolarHBondContact NE-OE2 3.39Å; R529-E552 VanDerWaalsContact NH2-CD 3.26Å; R529-E552 IonicContact NH2-OE1 3.13Å; R529-E552 PolarHBondContact NH2-OE1 2.82Å; R529-E552 IonicContact NH2-OE2 3.04Å; R529-E552 PolarHBondContact NH2-OE2 3.07Å
530	K	97.3	Very high	95.7	Very high	91 Å²	91	31 Å²	31	40%	0.396	17%	0.169	S	C	.	.	H	α-helix	trans	-97.2	-19.6	-176.2	-66.7	-65.8	-174.1	-178.9	0	113.5	A500 N526 L527 A528 P532	A500-K530 HydrophobicContact CB-CB 3.88Å; N526-K530 VanDerWaalsContact O-CG 3.3Å; N526-K530 WeakPolarHBondContact O-CG 3.41Å; N526-K530 PolarHBondContact O-N 2.94Å; N526-K530 VanDerWaalsContact O-N 3.16Å; L527-K530 PolarHBondContact O-N 3.39Å; L527-K530 VanDerWaalsContact O-N 3.14Å; A528-K530 VanDerWaalsContact C-N 3.28Å; A528-K530 PolarHBondContact O-N 2.9Å; K530-P532 VanDerWaalsContact C-CD 3.4Å; K530-P532 WeakPolarHBondContact O-CD 3.07Å
531	L	97.3	Very high	95.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.142	C	C	.	.			trans	-117.3	69.7	-175.8	-57.9	-175	0	0	0	112.3	A500 C503 L506 L509 L527 N533 L534 C557	A500-L531 HydrophobicContact CB-CD1 4.32Å; A500-L531 HydrophobicContact CB-CD2 4.28Å; A500-L531 HydrophobicContact CB-CG 4.11Å; C503-L531 WeakPolarHBondContact O-CD2 3.4Å; L506-L531 HydrophobicContact CB-CD1 4.17Å; L506-L531 HydrophobicContact CB-CD2 4.12Å; L506-L531 HydrophobicContact CD1-CD1 4Å; L506-L531 HydrophobicContact CD1-CD2 4.32Å; L509-L531 HydrophobicContact CD2-CD1 4.28Å; L527-L531 HydrophobicContact CD2-CD1 3.99Å; L527-L531 HydrophobicContact CG-CD1 3.9Å; L527-L531 WeakPolarHBondContact O-CB 3.47Å; L527-L531 PolarHBondContact O-N 3.38Å; L531-N533 PolarHBondContact O-N 2.85Å; L531-L534 HydrophobicContact CB-CB 4.5Å; L531-L534 WeakPolarHBondContact O-CB 3.29Å; L531-L534 PolarHBondContact O-N 2.84Å; L531-C557 PolarHBondContact O-SG 3.29Å; L531-C557 VanDerWaalsContact O-SG 3.33Å
532	P	95.8	Very high	95.4	Very high	63 Å²	63	24.5 Å²	24.5	41%	0.409	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.5	-176.8	30	-37	0	0	0	114	K530 L534	K530-P532 VanDerWaalsContact C-CD 3.4Å; K530-P532 WeakPolarHBondContact O-CD 3.07Å; P532-L534 VanDerWaalsContact C-N 3.31Å
533	N	95.9	Very high	95.3	Very high	41 Å²	41	30.8 Å²	30.8	22%	0.219	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3	179.6	-67.3	-55.6	0	0	0	113.5	Q504 L506 E507 L531 Q535 R559	Q504-N533 PolarHBondContact O-ND2 3.31Å; L506-N533 CarbonylContact O-C 2.96Å; E507-N533 HydrophobicContact CG-CB 4.4Å; L531-N533 PolarHBondContact O-N 2.85Å; N533-Q535 PolarHBondContact O-N 3.15Å; N533-R559 PolarHBondContact OD1-NH1 3.46Å
534	L	97.1	Very high	95.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.			trans	-62	123.1	-175.7	-159.3	66.8	0	0	0	110.9	L509 L527 L531 P532 L537 C557 R559 L560	L509-L534 HydrophobicContact CB-CD1 4.07Å; L527-L534 HydrophobicContact CD2-CD2 4.02Å; L531-L534 HydrophobicContact CB-CB 4.5Å; L531-L534 WeakPolarHBondContact O-CB 3.29Å; L531-L534 PolarHBondContact O-N 2.84Å; P532-L534 VanDerWaalsContact C-N 3.31Å; L534-L537 HydrophobicContact CD2-CB 3.83Å; L534-L537 HydrophobicContact CD2-CD1 4.23Å; L534-L537 HydrophobicContact CD2-CD2 3.93Å; L534-L537 HydrophobicContact CD2-CG 4.2Å; L534-L537 HydrophobicContact CG-CB 4.43Å; L534-C557 HydrophobicContact CB-CB 4.4Å; L534-R559 CarbonylContact O-C 3.55Å; L534-L560 HydrophobicContact CB-CD2 4.38Å; L534-L560 HydrophobicContact CD2-CD2 4.32Å; L534-L560 HydrophobicContact CG-CD2 4.14Å; L534-L560 PolarHBondContact O-N 3.31Å
535	Q	96.1	Very high	95.2	Very high	29 Å²	29	32 Å²	32	14%	0.136	15%	0.152	C	C	.	.			trans	-108.1	-30.1	177.1	-62.9	179.7	37.8	0	0	111.4	E507 N533 R559 R561 Q562	E507-Q535 HydrophobicContact CB-CG 4.47Å; E507-Q535 CarbonylContact O-C 3.58Å; E507-Q535 WeakPolarHBondContact O-CA 3.43Å; E507-Q535 WeakPolarHBondContact O-CB 3.49Å; E507-Q535 PolarHBondContact O-N 3.13Å; N533-Q535 PolarHBondContact O-N 3.15Å; Q535-R559 HydrophobicContact CG-CB 4.46Å; Q535-R561 HydrophobicContact CB-CG 4.48Å; Q535-R561 WeakPolarHBondContact O-CA 3.49Å; Q535-R561 PolarHBondContact O-N 3.2Å; Q535-Q562 PolarHBondContact O-N 2.97Å
536	K	96	Very high	95.1	Very high	9 Å²	9	32 Å²	32	4%	0.039	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.2	178.7	-54.7	-168.8	177.3	-166.7	0	111.2	W102 C106 E507 E508 L509 Q562	W102-K536 PolarHBondContact O-NZ 2.74Å; C106-K536 HydrophobicContact CB-CD 4.05Å; C106-K536 VanDerWaalsContact CB-CE 3.42Å; C106-K536 PolarHBondContact SG-NZ 3.09Å; E507-K536 PolarHBondContact O-N 3.24Å; E508-K536 WeakPolarHBondContact CA-O 3.43Å; E508-K536 HydrophobicContact CB-CB 4.23Å; E508-K536 HydrophobicContact CG-CB 4.04Å; E508-K536 HydrophobicContact CG-CD 4.06Å; E508-K536 HydrophobicContact CG-CG 4.08Å; L509-K536 PolarHBondContact N-O 3.44Å; K536-Q562 WeakPolarHBondContact CA-O 3.45Å; K536-Q562 HydrophobicContact CB-CB 4.41Å; K536-Q562 HydrophobicContact CD-CB 4.42Å; K536-Q562 HydrophobicContact CD-CG 4.36Å; K536-Q562 HydrophobicContact CG-CB 4.03Å; K536-Q562 HydrophobicContact CG-CG 4.22Å
537	L	97.2	Very high	95.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.6	174.7	-178.2	57.4	0	0	0	109.8	L509 L534 L539 L553 L560 Q562 L563 D564	L509-L537 HydrophobicContact CB-CD1 4.19Å; L509-L537 HydrophobicContact CD2-CD1 4.44Å; L509-L537 HydrophobicContact CG-CD1 4.31Å; L509-L537 WeakPolarHBondContact O-CA 3.43Å; L534-L537 HydrophobicContact CD2-CB 3.83Å; L534-L537 HydrophobicContact CD2-CD1 4.23Å; L534-L537 HydrophobicContact CD2-CD2 3.93Å; L534-L537 HydrophobicContact CD2-CG 4.2Å; L534-L537 HydrophobicContact CG-CB 4.43Å; L537-L539 HydrophobicContact CD1-CD2 3.83Å; L537-L539 HydrophobicContact CD1-CG 4.3Å; L537-L539 HydrophobicContact CD2-CD1 4.07Å; L537-L539 HydrophobicContact CD2-CD2 4.33Å; L537-L539 HydrophobicContact CD2-CG 4.19Å; L537-L539 HydrophobicContact CG-CD1 4.36Å; L537-L539 HydrophobicContact CG-CD2 4.02Å; L537-L539 HydrophobicContact CG-CG 3.93Å; L537-L553 HydrophobicContact CD2-CD1 3.86Å; L537-L553 HydrophobicContact CD2-CD2 3.65Å; L537-L553 HydrophobicContact CD2-CG 4.44Å; L537-L560 HydrophobicContact CB-CD2 4.31Å; L537-Q562 PolarHBondContact N-O 2.91Å; L537-L563 HydrophobicContact CB-CD1 3.97Å; L537-L563 HydrophobicContact CD2-CD1 4.2Å; L537-L563 HydrophobicContact CG-CD1 4.19Å; L537-L563 WeakPolarHBondContact O-CA 3.47Å; L537-D564 PolarHBondContact O-N 2.66Å
538	F	95.7	Very high	95.2	Very high	19 Å²	19	35.8 Å²	35.8	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.3	172.6	-62	-24.1	0	0	0	110.6	W103 L509 D510 L511 G512 Q562 D564	W103-F538 HydrophobicContact CH2-CD2 4.38Å; W103-F538 AromaticContact CH2-CE2 3.45Å; W103-F538 HydrophobicContact CH2-CE2 3.45Å; W103-F538 VanDerWaalsContact CH2-CE2 3.45Å; W103-F538 HydrophobicContact CH2-CZ 4.08Å; W103-F538 HydrophobicContact CZ2-CE2 4.44Å; W103-F538 AromaticContact CZ3-CE2 3.56Å; W103-F538 HydrophobicContact CZ3-CE2 3.56Å; W103-F538 HydrophobicContact CZ3-CZ 4.27Å; L509-F538 PolarHBondContact O-N 3.25Å; D510-F538 HydrophobicContact CB-CB 4.36Å; D510-F538 HydrophobicContact CB-CD2 4.32Å; L511-F538 CarbonylContact C-O 3.51Å; L511-F538 WeakPolarHBondContact CA-O 3.32Å; L511-F538 PolarHBondContact N-O 2.63Å; G512-F538 PolarHBondContact N-O 2.95Å; F538-Q562 HydrophobicContact CE1-CB 4.36Å; F538-D564 HydrophobicContact CB-CB 4.18Å; F538-D564 HydrophobicContact CD1-CB 3.35Å; F538-D564 HydrophobicContact CE1-CB 4.01Å; F538-D564 HydrophobicContact CG-CB 4.02Å
539	L	95.7	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.			trans	-115.8	24.5	177.7	-57.5	-178.9	0	0	0	110.9	L511 F524 L537 A541 N542 V545 D564 I565	L511-L539 HydrophobicContact CB-CD2 4.13Å; L511-L539 HydrophobicContact CD1-CD2 4.21Å; F524-L539 HydrophobicContact CD1-CD1 4.25Å; F524-L539 HydrophobicContact CD1-CD2 3.94Å; F524-L539 HydrophobicContact CE1-CD1 4.37Å; F524-L539 HydrophobicContact CE1-CD2 3.58Å; F524-L539 HydrophobicContact CZ-CD2 4.39Å; L537-L539 HydrophobicContact CD1-CD2 3.83Å; L537-L539 HydrophobicContact CD1-CG 4.3Å; L537-L539 HydrophobicContact CD2-CD1 4.07Å; L537-L539 HydrophobicContact CD2-CD2 4.33Å; L537-L539 HydrophobicContact CD2-CG 4.19Å; L537-L539 HydrophobicContact CG-CD1 4.36Å; L537-L539 HydrophobicContact CG-CD2 4.02Å; L537-L539 HydrophobicContact CG-CG 3.93Å; L539-A541 PolarHBondContact O-N 3.41Å; L539-N542 WeakPolarHBondContact CA-ND2 3.31Å; L539-N542 HydrophobicContact CB-CB 4.4Å; L539-N542 VanDerWaalsContact O-CB 3.27Å; L539-N542 WeakPolarHBondContact O-CB 3.24Å; L539-N542 PolarHBondContact O-N 2.97Å; L539-N542 PolarHBondContact O-ND2 2.91Å; L539-V545 HydrophobicContact CB-CG2 4.32Å; L539-V545 HydrophobicContact CD1-CG1 4.39Å; L539-V545 HydrophobicContact CD1-CG2 3.87Å; L539-D564 WeakPolarHBondContact CA-O 3.38Å; L539-D564 WeakPolarHBondContact CB-O 3.29Å; L539-D564 PolarHBondContact N-O 3.35Å; L539-I565 HydrophobicContact CD1-CG2 4.39Å
540	T	91.8	Very high	95.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	128.9	-179.7	-42.1	0	0	0	0	111.6	Y64 W486 G512 W513 N542 D564 L566	Y64-T540 WeakPolarHBondContact OH-CG2 3.44Å; W486-T540 HydrophobicContact CH2-CG2 3.84Å; W486-T540 HydrophobicContact CZ3-CG2 4.08Å; G512-T540 CarbonylContact C-O 3.56Å; G512-T540 WeakPolarHBondContact CA-O 3.16Å; W513-T540 PolarHBondContact N-O 2.88Å; T540-N542 PolarHBondContact O-N 2.8Å; T540-N542 VanDerWaalsContact O-N 3.12Å; T540-N542 PolarHBondContact O-ND2 2.99Å; T540-D564 PolarHBondContact OG1-OD1 3.13Å; T540-D564 PolarHBondContact OG1-OD2 2.88Å; T540-L566 HydrophobicContact CG2-CB 4.08Å; T540-L566 HydrophobicContact CG2-CD1 4.28Å; T540-L566 HydrophobicContact CG2-CD2 3.93Å; T540-L566 HydrophobicContact CG2-CG 4.31Å
541	A	88.5	Confident	95.3	Very high	22 Å²	22	28.6 Å²	28.6	18%	0.182	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	14.3	-179.8	0	0	0	0	0	116.5	W513 L539 R543 L566	W513-A541 HydrophobicContact CD2-CB 3.66Å; W513-A541 HydrophobicContact CE3-CB 3.81Å; W513-A541 HydrophobicContact CG-CB 4.17Å; W513-A541 HydrophobicContact CH2-CB 4.17Å; W513-A541 HydrophobicContact CZ2-CB 4.03Å; W513-A541 HydrophobicContact CZ3-CB 4.06Å; L539-A541 PolarHBondContact O-N 3.41Å; A541-R543 PolarHBondContact O-N 2.86Å; A541-R543 VanDerWaalsContact O-N 3.11Å; A541-L566 PolarHBondContact N-O 3.44Å
542	N	91.3	Very high	95.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	16%	0.159	C	C	.	.			trans	-81.9	80.1	168.1	-69.7	-79.9	0	0	0	110.6	L511 C514 F524 L539 T540 S544 V545 T568	L511-N542 PolarHBondContact O-ND2 3.01Å; C514-N542 PolarHBondContact O-OD1 3.28Å; C514-N542 VanDerWaalsContact O-OD1 3.05Å; F524-N542 HydrophobicContact CZ-CB 4.21Å; L539-N542 WeakPolarHBondContact CA-ND2 3.31Å; L539-N542 HydrophobicContact CB-CB 4.4Å; L539-N542 VanDerWaalsContact O-CB 3.27Å; L539-N542 WeakPolarHBondContact O-CB 3.24Å; L539-N542 PolarHBondContact O-N 2.97Å; L539-N542 PolarHBondContact O-ND2 2.91Å; T540-N542 PolarHBondContact O-N 2.8Å; T540-N542 VanDerWaalsContact O-N 3.12Å; T540-N542 PolarHBondContact O-ND2 2.99Å; N542-S544 PolarHBondContact O-N 3.04Å; N542-V545 HydrophobicContact CB-CG2 3.96Å; N542-V545 WeakPolarHBondContact O-CG2 3.12Å; N542-V545 PolarHBondContact O-N 2.73Å; N542-T568 WeakPolarHBondContact O-CG2 3.22Å
543	R	90.4	Very high	95.4	Very high	154 Å²	154	27.6 Å²	27.6	58%	0.581	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.3	-168.9	-62.9	178.3	178.8	173.5	0.6	115.8	A541 R569	A541-R543 PolarHBondContact O-N 2.86Å; A541-R543 VanDerWaalsContact O-N 3.11Å; R543-R569 PolarHBondContact O-N 3.17Å
544	S	93.4	Very high	95.5	Very high	31 Å²	31	25.8 Å²	25.8	22%	0.217	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.1	-175	62.9	0	0	0	0	114.1	L517 Q518 S519 N542 C546	L517-S544 PolarHBondContact O-OG 2.73Å; Q518-S544 WeakPolarHBondContact CA-OG 3.44Å; S519-S544 WeakPolarHBondContact CB-O 3.43Å; S519-S544 PolarHBondContact N-OG 2.79Å; S519-S544 VanDerWaalsContact N-OG 3.17Å; N542-S544 PolarHBondContact O-N 3.04Å; S544-C546 PolarHBondContact O-N 3.37Å
545	V	95.5	Very high	95.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.			trans	-55.1	131.8	-179.3	176.4	0	0	0	0	109.9	F524 L539 N542 D549 I550 T568 V571	F524-V545 HydrophobicContact CD2-CG2 4.02Å; F524-V545 HydrophobicContact CE2-CG2 3.63Å; F524-V545 HydrophobicContact CZ-CG2 4.05Å; L539-V545 HydrophobicContact CB-CG2 4.32Å; L539-V545 HydrophobicContact CD1-CG1 4.39Å; L539-V545 HydrophobicContact CD1-CG2 3.87Å; N542-V545 HydrophobicContact CB-CG2 3.96Å; N542-V545 WeakPolarHBondContact O-CG2 3.12Å; N542-V545 PolarHBondContact O-N 2.73Å; V545-D549 WeakPolarHBondContact CA-OD2 3.24Å; V545-D549 HydrophobicContact CG1-CB 4.19Å; V545-I550 HydrophobicContact CG1-CD1 4.01Å; V545-I550 HydrophobicContact CG1-CG1 4.44Å; V545-T568 HydrophobicContact CB-CG2 3.6Å; V545-T568 HydrophobicContact CG1-CG2 4.22Å; V545-T568 HydrophobicContact CG2-CG2 4.06Å; V545-V571 HydrophobicContact CG1-CG2 4.11Å
546	C	95.7	Very high	95.6	Very high	20 Å²	20	30.3 Å²	30.3	14%	0.135	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-130.1	175.2	-175.1	76.2	0	0	0	0	112.4	S519 S544 T548 D549 I550 M570	S519-C546 PolarHBondContact OG-SG 3.03Å; S544-C546 PolarHBondContact O-N 3.37Å; C546-T548 VanDerWaalsContact C-N 3.26Å; C546-T548 PolarHBondContact O-N 3.12Å; C546-D549 PolarHBondContact N-OD2 3.35Å; C546-D549 WeakPolarHBondContact O-CB 3.47Å; C546-D549 PolarHBondContact O-N 3.4Å; C546-I550 PolarHBondContact O-N 3.44Å; C546-M570 HydrophobicContact CB-CB 3.72Å
547	D	97	Very high	95.6	Very high	45 Å²	45	29.9 Å²	29.9	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-51.5	-41.8	179	-75.3	-14.3	0	0	0	113.6	D549 I550 E551 M570 V571 S572 S575	D547-D549 VanDerWaalsContact C-N 3.26Å; D547-D549 PolarHBondContact O-N 3.42Å; D547-I550 PolarHBondContact O-N 3.41Å; D547-I550 VanDerWaalsContact O-N 3.15Å; D547-E551 WeakPolarHBondContact O-CG 3.42Å; D547-E551 PolarHBondContact O-N 2.82Å; D547-M570 PolarHBondContact N-O 3.21Å; D547-V571 VanDerWaalsContact OD1-CA 3.31Å; D547-V571 WeakPolarHBondContact OD1-CA 3.15Å; D547-S572 VanDerWaalsContact CG-OG 3.26Å; D547-S572 PolarHBondContact OD1-N 3.27Å; D547-S572 PolarHBondContact OD1-OG 3.12Å; D547-S572 WeakPolarHBondContact OD2-CB 3.48Å; D547-S572 PolarHBondContact OD2-OG 3.12Å; D547-S575 WeakPolarHBondContact OD1-CB 3.08Å; D547-S575 PolarHBondContact OD1-OG 2.8Å
548	T	97.2	Very high	95.6	Very high	85 Å²	85	33.4 Å²	33.4	52%	0.521	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-38.8	178.9	-49.2	0	0	0	0	112.1	T525 C546 E552	T525-T548 HydrophobicContact CG2-CG2 4.26Å; C546-T548 VanDerWaalsContact C-N 3.26Å; C546-T548 PolarHBondContact O-N 3.12Å; T548-E552 VanDerWaalsContact O-CG 3.31Å; T548-E552 WeakPolarHBondContact O-CG 3.24Å; T548-E552 PolarHBondContact O-N 3.25Å
549	D	97.4	Very high	95.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-43.7	178.2	-54	-52	0	0	0	111	S519 F524 T525 V545 C546 D547 E552 L553	S519-D549 WeakPolarHBondContact CB-OD2 3.27Å; S519-D549 PolarHBondContact OG-OD1 3.04Å; S519-D549 VanDerWaalsContact OG-OD1 3.12Å; S519-D549 PolarHBondContact OG-OD2 3.27Å; F524-D549 HydrophobicContact CB-CB 3.98Å; T525-D549 WeakPolarHBondContact CG2-OD1 3.33Å; V545-D549 WeakPolarHBondContact CA-OD2 3.24Å; V545-D549 HydrophobicContact CG1-CB 4.19Å; C546-D549 PolarHBondContact N-OD2 3.35Å; C546-D549 WeakPolarHBondContact O-CB 3.47Å; C546-D549 PolarHBondContact O-N 3.4Å; D547-D549 VanDerWaalsContact C-N 3.26Å; D547-D549 PolarHBondContact O-N 3.42Å; D549-E552 PolarHBondContact O-N 2.84Å; D549-L553 WeakPolarHBondContact O-CG 3.48Å; D549-L553 PolarHBondContact O-N 3.05Å
550	I	98	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-40.6	179	-58.1	-56.2	0	0	0	111.1	V545 C546 D547 L553 A554 L563 I565 V571 L576 L579	V545-I550 HydrophobicContact CG1-CD1 4.01Å; V545-I550 HydrophobicContact CG1-CG1 4.44Å; C546-I550 PolarHBondContact O-N 3.44Å; D547-I550 PolarHBondContact O-N 3.41Å; D547-I550 VanDerWaalsContact O-N 3.15Å; I550-L553 HydrophobicContact CD1-CD1 4.39Å; I550-L553 PolarHBondContact O-N 3Å; I550-A554 WeakPolarHBondContact O-CB 3.41Å; I550-A554 PolarHBondContact O-N 3.08Å; I550-L563 HydrophobicContact CD1-CD2 4.38Å; I550-I565 HydrophobicContact CD1-CD1 4.31Å; I550-I565 HydrophobicContact CD1-CG2 3.99Å; I550-V571 HydrophobicContact CD1-CG2 4.4Å; I550-V571 HydrophobicContact CG1-CG1 4.01Å; I550-V571 HydrophobicContact CG1-CG2 3.9Å; I550-L576 HydrophobicContact CG2-CD2 4.43Å; I550-L579 HydrophobicContact CG2-CB 3.9Å; I550-L579 HydrophobicContact CG2-CD1 4.39Å; I550-L579 HydrophobicContact CG2-CD2 4.24Å; I550-L579 HydrophobicContact CG2-CG 4.4Å
551	E	97.6	Very high	95.8	Very high	75 Å²	75	44 Å²	44	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-38.8	177.1	-69.2	-164	168.5	0	0	112.3	D547 A554 A555 K578	D547-E551 WeakPolarHBondContact O-CG 3.42Å; D547-E551 PolarHBondContact O-N 2.82Å; E551-A554 WeakPolarHBondContact O-CB 3.49Å; E551-A554 PolarHBondContact O-N 3.47Å; E551-A555 WeakPolarHBondContact O-CB 3.43Å; E551-A555 PolarHBondContact O-N 3.32Å; E551-K578 HydrophobicContact CG-CD 3.92Å; E551-K578 IonicContact OE1-NZ 3.2Å; E551-K578 PolarHBondContact OE1-NZ 3.02Å; E551-K578 IonicContact OE2-NZ 3.01Å; E551-K578 PolarHBondContact OE2-NZ 2.81Å
552	E	97.9	Very high	96.1	Very high	43 Å²	43	43.1 Å²	43.1	20%	0.201	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-37.5	174.6	-73.2	-74.2	168.2	0	0	112	T525 A528 R529 T548 D549 A555 N556	T525-E552 HydrophobicContact CG2-CB 4.23Å; T525-E552 HydrophobicContact CG2-CG 3.82Å; A528-E552 HydrophobicContact CB-CB 4.2Å; R529-E552 IonicContact CZ-OE1 3.96Å; R529-E552 IonicContact CZ-OE2 3.93Å; R529-E552 IonicContact NE-OE1 3.76Å; R529-E552 IonicContact NE-OE2 3.89Å; R529-E552 PolarHBondContact NE-OE2 3.39Å; R529-E552 VanDerWaalsContact NH2-CD 3.26Å; R529-E552 IonicContact NH2-OE1 3.13Å; R529-E552 PolarHBondContact NH2-OE1 2.82Å; R529-E552 IonicContact NH2-OE2 3.04Å; R529-E552 PolarHBondContact NH2-OE2 3.07Å; T548-E552 VanDerWaalsContact O-CG 3.31Å; T548-E552 WeakPolarHBondContact O-CG 3.24Å; T548-E552 PolarHBondContact O-N 3.25Å; D549-E552 PolarHBondContact O-N 2.84Å; E552-A555 PolarHBondContact O-N 3.31Å; E552-N556 WeakPolarHBondContact O-CB 3.47Å; E552-N556 PolarHBondContact O-N 2.79Å; E552-N556 PolarHBondContact O-ND2 3.41Å; E552-N556 PolarHBondContact OE2-ND2 2.91Å; E552-N556 VanDerWaalsContact OE2-ND2 3.13Å
553	L	97.9	Very high	96.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-44.8	170.6	-72.9	167.8	0	0	0	111.2	A528 L537 D549 I550 A555 N556 C557 L560 L563 L579	A528-L553 HydrophobicContact CB-CD2 3.74Å; A528-L553 HydrophobicContact CB-CG 4.12Å; L537-L553 HydrophobicContact CD2-CD1 3.86Å; L537-L553 HydrophobicContact CD2-CD2 3.65Å; L537-L553 HydrophobicContact CD2-CG 4.44Å; D549-L553 WeakPolarHBondContact O-CG 3.48Å; D549-L553 PolarHBondContact O-N 3.05Å; I550-L553 HydrophobicContact CD1-CD1 4.39Å; I550-L553 PolarHBondContact O-N 3Å; L553-A555 VanDerWaalsContact C-N 3.29Å; L553-A555 PolarHBondContact O-N 2.95Å; L553-N556 PolarHBondContact O-N 3.1Å; L553-C557 HydrophobicContact CD2-CB 4.45Å; L553-C557 WeakPolarHBondContact O-CA 3.46Å; L553-C557 WeakPolarHBondContact O-CB 3.33Å; L553-C557 PolarHBondContact O-N 3.25Å; L553-L560 HydrophobicContact CB-CD1 4.26Å; L553-L560 HydrophobicContact CD2-CD1 4.48Å; L553-L563 HydrophobicContact CD1-CD1 4.46Å; L553-L579 HydrophobicContact CB-CD1 4.45Å
554	A	97.5	Very high	96.6	Very high	3 Å²	3	36 Å²	36	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-37.9	177.2	0	0	0	0	0	112.3	I550 E551 L579 S582	I550-A554 WeakPolarHBondContact O-CB 3.41Å; I550-A554 PolarHBondContact O-N 3.08Å; E551-A554 WeakPolarHBondContact O-CB 3.49Å; E551-A554 PolarHBondContact O-N 3.47Å; A554-L579 HydrophobicContact CB-CB 4.33Å; A554-L579 HydrophobicContact CB-CD1 4.03Å; A554-S582 WeakPolarHBondContact O-CB 3.31Å
555	A	97.8	Very high	96.7	Very high	69 Å²	69	34.5 Å²	34.5	57%	0.57	18%	0.18	S	C	*	.	H	α-helix	trans	-76.1	-36.9	-178.7	0	0	0	0	0	113.5	E551 E552 L553	E551-A555 WeakPolarHBondContact O-CB 3.43Å; E551-A555 PolarHBondContact O-N 3.32Å; E552-A555 PolarHBondContact O-N 3.31Å; L553-A555 VanDerWaalsContact C-N 3.29Å; L553-A555 PolarHBondContact O-N 2.95Å
556	N	97.8	Very high	96.5	Very high	55 Å²	55	35 Å²	35	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-109.1	-27.9	-169.5	-61.2	-83	0	0	0	114.2	A528 E552 L553	A528-N556 VanDerWaalsContact O-CB 3.23Å; A528-N556 WeakPolarHBondContact O-CB 3.37Å; E552-N556 WeakPolarHBondContact O-CB 3.47Å; E552-N556 PolarHBondContact O-N 2.79Å; E552-N556 PolarHBondContact O-ND2 3.41Å; E552-N556 PolarHBondContact OE2-ND2 2.91Å; E552-N556 VanDerWaalsContact OE2-ND2 3.13Å; L553-N556 PolarHBondContact O-N 3.1Å
557	C	97	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.			trans	-110.1	57.6	-174.5	-56.3	0	0	0	0	111.4	A528 L531 L534 L553 R559 L560 C583	A528-C557 PolarHBondContact O-SG 3.04Å; L531-C557 PolarHBondContact O-SG 3.29Å; L531-C557 VanDerWaalsContact O-SG 3.33Å; L534-C557 HydrophobicContact CB-CB 4.4Å; L553-C557 HydrophobicContact CD2-CB 4.45Å; L553-C557 WeakPolarHBondContact O-CA 3.46Å; L553-C557 WeakPolarHBondContact O-CB 3.33Å; L553-C557 PolarHBondContact O-N 3.25Å; C557-R559 PolarHBondContact O-N 3.21Å; C557-R559 VanDerWaalsContact O-N 3.1Å; C557-L560 HydrophobicContact CB-CD1 3.71Å; C557-L560 HydrophobicContact CB-CG 3.8Å; C557-L560 WeakPolarHBondContact O-CB 3.36Å; C557-L560 VanDerWaalsContact O-CG 3.25Å; C557-L560 WeakPolarHBondContact O-CG 3.23Å; C557-L560 PolarHBondContact O-N 3.16Å; C557-L560 VanDerWaalsContact O-N 3.15Å; C557-C583 PolarHBondContact O-SG 3.38Å
558	T	95.8	Very high	96	Very high	75 Å²	75	32.7 Å²	32.7	46%	0.46	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.5	-175.5	56	0	0	0	0	114.5	L560	T558-L560 VanDerWaalsContact C-N 3.33Å
559	R	95.5	Very high	95.6	Very high	134 Å²	134	35.1 Å²	35.1	51%	0.506	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.1	175.8	-64.9	-173.2	175.5	-171.9	-1.6	114.1	N533 L534 Q535 C557 R561	N533-R559 PolarHBondContact OD1-NH1 3.46Å; L534-R559 CarbonylContact O-C 3.55Å; Q535-R559 HydrophobicContact CG-CB 4.46Å; C557-R559 PolarHBondContact O-N 3.21Å; C557-R559 VanDerWaalsContact O-N 3.1Å; R559-R561 PolarHBondContact O-N 3.34Å
560	L	96.4	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.			trans	-58.1	127.9	178.7	-80	170.1	0	0	0	111.3	L534 L537 L553 C557 T558 L579 C583 D585 L586	L534-L560 HydrophobicContact CB-CD2 4.38Å; L534-L560 HydrophobicContact CD2-CD2 4.32Å; L534-L560 HydrophobicContact CG-CD2 4.14Å; L534-L560 PolarHBondContact O-N 3.31Å; L537-L560 HydrophobicContact CB-CD2 4.31Å; L553-L560 HydrophobicContact CB-CD1 4.26Å; L553-L560 HydrophobicContact CD2-CD1 4.48Å; C557-L560 HydrophobicContact CB-CD1 3.71Å; C557-L560 HydrophobicContact CB-CG 3.8Å; C557-L560 WeakPolarHBondContact O-CB 3.36Å; C557-L560 VanDerWaalsContact O-CG 3.25Å; C557-L560 WeakPolarHBondContact O-CG 3.23Å; C557-L560 PolarHBondContact O-N 3.16Å; C557-L560 VanDerWaalsContact O-N 3.15Å; T558-L560 VanDerWaalsContact C-N 3.33Å; L560-L579 HydrophobicContact CD1-CD1 4.48Å; L560-C583 HydrophobicContact CB-CB 4.33Å; L560-D585 CarbonylContact O-C 3.48Å; L560-L586 HydrophobicContact CB-CD1 4.15Å; L560-L586 WeakPolarHBondContact O-CA 3.28Å; L560-L586 PolarHBondContact O-N 2.86Å; L560-L586 VanDerWaalsContact O-N 3.17Å
561	R	95.2	Very high	95.2	Very high	108 Å²	108	40.5 Å²	40.5	41%	0.408	20%	0.198	S	C	.	.			trans	-111.7	-31.7	176.8	-65.2	-175.3	174.2	-155.5	-5.1	112.3	Q535 R559 D585 S587 L588	Q535-R561 HydrophobicContact CB-CG 4.48Å; Q535-R561 WeakPolarHBondContact O-CA 3.49Å; Q535-R561 PolarHBondContact O-N 3.2Å; R559-R561 PolarHBondContact O-N 3.34Å; R561-D585 WeakPolarHBondContact CA-O 3.27Å; R561-D585 HydrophobicContact CG-CB 4.17Å; R561-S587 PolarHBondContact O-N 3.24Å; R561-S587 PolarHBondContact O-OG 2.9Å; R561-L588 PolarHBondContact O-N 3.4Å; R561-L588 VanDerWaalsContact O-N 3.13Å
562	Q	95.3	Very high	95.1	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	126	-179.6	-52.9	-177.8	-1.7	0	0	109.9	W102 Q535 K536 L537 F538 L588	W102-Q562 PolarHBondContact O-NE2 3.25Å; Q535-Q562 PolarHBondContact O-N 2.97Å; K536-Q562 WeakPolarHBondContact CA-O 3.45Å; K536-Q562 HydrophobicContact CB-CB 4.41Å; K536-Q562 HydrophobicContact CD-CB 4.42Å; K536-Q562 HydrophobicContact CD-CG 4.36Å; K536-Q562 HydrophobicContact CG-CB 4.03Å; K536-Q562 HydrophobicContact CG-CG 4.22Å; L537-Q562 PolarHBondContact N-O 2.91Å; F538-Q562 HydrophobicContact CE1-CB 4.36Å; Q562-L588 WeakPolarHBondContact CA-O 3.13Å; Q562-L588 HydrophobicContact CB-CB 4.25Å; Q562-L588 HydrophobicContact CB-CD2 4.49Å; Q562-L588 HydrophobicContact CG-CB 4.03Å; Q562-L588 HydrophobicContact CG-CD2 4.48Å
563	L	96.7	Very high	95	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.9	174	179.4	65.1	0	0	0	109.5	L537 I550 L553 I565 L579 L586 L588 L589 D590	L537-L563 HydrophobicContact CB-CD1 3.97Å; L537-L563 HydrophobicContact CD2-CD1 4.2Å; L537-L563 HydrophobicContact CG-CD1 4.19Å; L537-L563 WeakPolarHBondContact O-CA 3.47Å; I550-L563 HydrophobicContact CD1-CD2 4.38Å; L553-L563 HydrophobicContact CD1-CD1 4.46Å; L563-I565 HydrophobicContact CD1-CG2 3.97Å; L563-I565 HydrophobicContact CD2-CG2 4.1Å; L563-I565 HydrophobicContact CG-CG2 3.91Å; L563-L579 HydrophobicContact CD2-CD1 4.45Å; L563-L579 HydrophobicContact CD2-CD2 3.39Å; L563-L586 HydrophobicContact CB-CD1 4.31Å; L563-L588 PolarHBondContact N-O 2.87Å; L563-L589 HydrophobicContact CB-CD1 4.06Å; L563-L589 HydrophobicContact CD2-CD1 3.99Å; L563-L589 HydrophobicContact CG-CD1 4.13Å; L563-L589 CarbonylContact O-C 3.57Å; L563-L589 VanDerWaalsContact O-CA 3.3Å; L563-L589 WeakPolarHBondContact O-CA 3.4Å; L563-D590 PolarHBondContact O-N 3.43Å
564	D	95.1	Very high	94.9	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.032	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.2	170.3	179	-18.5	0	0	0	108.4	L537 F538 L539 T540 L566 D590	L537-D564 PolarHBondContact O-N 2.66Å; F538-D564 HydrophobicContact CB-CB 4.18Å; F538-D564 HydrophobicContact CD1-CB 3.35Å; F538-D564 HydrophobicContact CE1-CB 4.01Å; F538-D564 HydrophobicContact CG-CB 4.02Å; L539-D564 WeakPolarHBondContact CA-O 3.38Å; L539-D564 WeakPolarHBondContact CB-O 3.29Å; L539-D564 PolarHBondContact N-O 3.35Å; T540-D564 PolarHBondContact OG1-OD1 3.13Å; T540-D564 PolarHBondContact OG1-OD2 2.88Å; D564-L566 WeakPolarHBondContact OD1-CA 3.47Å; D564-L566 WeakPolarHBondContact OD1-CB 3.16Å; D564-L566 PolarHBondContact OD1-N 3Å; D564-D590 HydrophobicContact CB-CB 4.23Å
565	I	95.8	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.			trans	-123.1	31.6	173.9	57.3	163	0	0	0	110.9	L539 I550 L563 G567 T568 V571 L576 L589 D590 V591 C594	L539-I565 HydrophobicContact CD1-CG2 4.39Å; I550-I565 HydrophobicContact CD1-CD1 4.31Å; I550-I565 HydrophobicContact CD1-CG2 3.99Å; L563-I565 HydrophobicContact CD1-CG2 3.97Å; L563-I565 HydrophobicContact CD2-CG2 4.1Å; L563-I565 HydrophobicContact CG-CG2 3.91Å; I565-G567 PolarHBondContact O-N 2.98Å; I565-T568 HydrophobicContact CB-CG2 3.95Å; I565-T568 WeakPolarHBondContact O-CB 3.38Å; I565-T568 WeakPolarHBondContact O-CG2 3.42Å; I565-T568 PolarHBondContact O-N 3.5Å; I565-T568 PolarHBondContact O-OG1 3.23Å; I565-V571 HydrophobicContact CD1-CB 4.34Å; I565-V571 HydrophobicContact CD1-CG1 3.9Å; I565-V571 HydrophobicContact CD1-CG2 4.25Å; I565-L576 HydrophobicContact CD1-CD2 3.88Å; I565-L589 HydrophobicContact CG1-CD1 4.47Å; I565-D590 VanDerWaalsContact CG1-O 3.32Å; I565-D590 WeakPolarHBondContact CG1-O 3.4Å; I565-D590 PolarHBondContact N-O 2.53Å; I565-V591 HydrophobicContact CD1-CG1 4.06Å; I565-V591 HydrophobicContact CG1-CG1 4.12Å; I565-C594 PolarHBondContact O-SG 3.43Å
566	L	92.3	Very high	94.8	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.063	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	131.4	-179.2	-180	161.5	0	0	0	110.8	Y215 T540 A541 D564 T568 S592 F593	Y215-L566 VanDerWaalsContact OH-CD1 3.28Å; Y215-L566 WeakPolarHBondContact OH-CD1 3.35Å; T540-L566 HydrophobicContact CG2-CB 4.08Å; T540-L566 HydrophobicContact CG2-CD1 4.28Å; T540-L566 HydrophobicContact CG2-CD2 3.93Å; T540-L566 HydrophobicContact CG2-CG 4.31Å; A541-L566 PolarHBondContact N-O 3.44Å; D564-L566 WeakPolarHBondContact OD1-CA 3.47Å; D564-L566 WeakPolarHBondContact OD1-CB 3.16Å; D564-L566 PolarHBondContact OD1-N 3Å; L566-T568 VanDerWaalsContact C-N 3.32Å; L566-T568 PolarHBondContact O-N 2.99Å; L566-S592 CarbonylContact C-O 3.38Å; L566-S592 VanDerWaalsContact CA-O 3.25Å; L566-S592 WeakPolarHBondContact CA-O 3.01Å; L566-F593 HydrophobicContact CD1-CD2 4.33Å; L566-F593 HydrophobicContact CD2-CD2 3.92Å; L566-F593 HydrophobicContact CG-CD2 3.98Å
567	G	89.9	Confident	94.8	Very high	15 Å²	15	37.1 Å²	37.1	16%	0.155	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	10.7	174.4	0	0	0	0	0	115.3	I565 S592	I565-G567 PolarHBondContact O-N 2.98Å; G567-S592 PolarHBondContact N-O 3.01Å
568	T	91.2	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.			trans	-74.5	148.6	173.6	57.4	0	0	0	0	111.4	N542 V545 I565 L566 C594	N542-T568 WeakPolarHBondContact O-CG2 3.22Å; V545-T568 HydrophobicContact CB-CG2 3.6Å; V545-T568 HydrophobicContact CG1-CG2 4.22Å; V545-T568 HydrophobicContact CG2-CG2 4.06Å; I565-T568 HydrophobicContact CB-CG2 3.95Å; I565-T568 WeakPolarHBondContact O-CB 3.38Å; I565-T568 WeakPolarHBondContact O-CG2 3.42Å; I565-T568 PolarHBondContact O-N 3.5Å; I565-T568 PolarHBondContact O-OG1 3.23Å; L566-T568 VanDerWaalsContact C-N 3.32Å; L566-T568 PolarHBondContact O-N 2.99Å; T568-C594 VanDerWaalsContact O-CA 3.28Å; T568-C594 WeakPolarHBondContact O-CA 3.4Å; T568-C594 PolarHBondContact OG1-SG 2.75Å
569	R	88.9	Confident	94.8	Very high	137 Å²	137	38.1 Å²	38.1	52%	0.517	18%	0.179	S	C	.	.	S	Bend	trans	-114.4	-17.2	-172.5	-64.4	-178.5	-179.9	-177.1	-3.9	114.6	R543 S595 Q596	R543-R569 PolarHBondContact O-N 3.17Å; R569-S595 WeakPolarHBondContact CA-OG 3.24Å; R569-S595 PolarHBondContact O-OG 3.4Å; R569-Q596 PolarHBondContact O-NE2 3.33Å
570	M	91.6	Very high	94.9	Very high	111 Å²	111	31.9 Å²	31.9	55%	0.547	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-114.5	12.3	-168	-60.1	-172.9	66.1	0	0	113.3	C546 D547	C546-M570 HydrophobicContact CB-CB 3.72Å; D547-M570 PolarHBondContact N-O 3.21Å
571	V	95.4	Very high	94.9	Very high	2 Å²	2	37 Å²	37	1%	0.012	18%	0.18	C	C	.	.			trans	-96.8	119.9	179.4	178.6	0	0	0	0	110	V545 D547 I550 I565 L576 Q596	V545-V571 HydrophobicContact CG1-CG2 4.11Å; D547-V571 VanDerWaalsContact OD1-CA 3.31Å; D547-V571 WeakPolarHBondContact OD1-CA 3.15Å; I550-V571 HydrophobicContact CD1-CG2 4.4Å; I550-V571 HydrophobicContact CG1-CG1 4.01Å; I550-V571 HydrophobicContact CG1-CG2 3.9Å; I565-V571 HydrophobicContact CD1-CB 4.34Å; I565-V571 HydrophobicContact CD1-CG1 3.9Å; I565-V571 HydrophobicContact CD1-CG2 4.25Å; V571-L576 HydrophobicContact CG1-CD2 3.72Å; V571-L576 HydrophobicContact CG1-CG 3.91Å; V571-Q596 WeakPolarHBondContact O-CB 3.3Å
572	S	95.7	Very high	95	Very high	19 Å²	19	34.3 Å²	34.3	13%	0.133	18%	0.178	C	C	.	.			trans	-91.3	160.6	179.8	75.5	0	0	0	0	112.6	D547 A574 S575 L576	D547-S572 VanDerWaalsContact CG-OG 3.26Å; D547-S572 PolarHBondContact OD1-N 3.27Å; D547-S572 PolarHBondContact OD1-OG 3.12Å; D547-S572 WeakPolarHBondContact OD2-CB 3.48Å; D547-S572 PolarHBondContact OD2-OG 3.12Å; S572-A574 PolarHBondContact O-N 2.88Å; S572-A574 PolarHBondContact OG-N 2.86Å; S572-S575 PolarHBondContact O-N 2.87Å; S572-S575 PolarHBondContact O-OG 3.18Å; S572-L576 PolarHBondContact O-N 3Å
573	P	96	Very high	95	Very high	30 Å²	30	34.3 Å²	34.3	20%	0.195	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-28.4	173.2	-27	36.6	0	0	0	114.1	R577 I597 V601	P573-R577 WeakPolarHBondContact O-CG 3.44Å; P573-R577 PolarHBondContact O-N 2.94Å; P573-R577 VanDerWaalsContact O-N 3.14Å; P573-I597 HydrophobicContact CB-CD1 4.39Å; P573-I597 HydrophobicContact CG-CD1 3.83Å; P573-V601 HydrophobicContact CB-CG1 3.66Å; P573-V601 HydrophobicContact CB-CG2 4.15Å; P573-V601 HydrophobicContact CG-CB 4.4Å; P573-V601 HydrophobicContact CG-CG1 3.85Å; P573-V601 HydrophobicContact CG-CG2 3.68Å
574	A	95.9	Very high	94.9	Very high	64 Å²	64	41.6 Å²	41.6	53%	0.529	21%	0.21	S	C	.	.	H	α-helix	trans	-70.7	-43.3	-176.5	0	0	0	0	0	111.7	S572 L576 R577 K578	S572-A574 PolarHBondContact O-N 2.88Å; S572-A574 PolarHBondContact OG-N 2.86Å; A574-L576 VanDerWaalsContact C-N 3.33Å; A574-L576 PolarHBondContact O-N 2.94Å; A574-R577 PolarHBondContact O-N 2.83Å; A574-K578 PolarHBondContact O-N 2.78Å
575	S	96.9	Very high	94.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-37.1	176.5	63.4	0	0	0	0	111.7	D547 S572 R577 K578 L579	D547-S575 WeakPolarHBondContact OD1-CB 3.08Å; D547-S575 PolarHBondContact OD1-OG 2.8Å; S572-S575 PolarHBondContact O-N 2.87Å; S572-S575 PolarHBondContact O-OG 3.18Å; S575-R577 PolarHBondContact O-N 2.77Å; S575-K578 WeakPolarHBondContact O-CB 3.28Å; S575-K578 PolarHBondContact O-N 2.94Å; S575-L579 PolarHBondContact O-N 2.92Å
576	L	97.1	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-40.1	174.3	-65.6	-173.9	0	0	0	113	I550 I565 V571 S572 A574 K578 L579 L580 L589 V591 I597 L605	I550-L576 HydrophobicContact CG2-CD2 4.43Å; I565-L576 HydrophobicContact CD1-CD2 3.88Å; V571-L576 HydrophobicContact CG1-CD2 3.72Å; V571-L576 HydrophobicContact CG1-CG 3.91Å; S572-L576 PolarHBondContact O-N 3Å; A574-L576 VanDerWaalsContact C-N 3.33Å; A574-L576 PolarHBondContact O-N 2.94Å; L576-K578 VanDerWaalsContact C-N 3.33Å; L576-L579 WeakPolarHBondContact O-CB 3.19Å; L576-L579 PolarHBondContact O-N 2.8Å; L576-L580 WeakPolarHBondContact O-CB 3.23Å; L576-L580 WeakPolarHBondContact O-CD1 3.46Å; L576-L580 VanDerWaalsContact O-CG 3.23Å; L576-L580 WeakPolarHBondContact O-CG 3.44Å; L576-L580 PolarHBondContact O-N 3.31Å; L576-L589 HydrophobicContact CD2-CD2 4.37Å; L576-V591 HydrophobicContact CD1-CG1 3.86Å; L576-I597 HydrophobicContact CD1-CD1 3.57Å; L576-I597 HydrophobicContact CD1-CG1 3.9Å; L576-I597 HydrophobicContact CG-CD1 4.43Å; L576-L605 HydrophobicContact CB-CD1 4.2Å; L576-L605 HydrophobicContact CD1-CD1 4.24Å
577	R	96.4	Very high	94.8	Very high	62 Å²	62	47 Å²	47	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-46.6	173.6	-71.1	173.1	-148.9	-88.3	2.5	110.9	P573 A574 S575 L579 L580 E581 E604 L605	P573-R577 WeakPolarHBondContact O-CG 3.44Å; P573-R577 PolarHBondContact O-N 2.94Å; P573-R577 VanDerWaalsContact O-N 3.14Å; A574-R577 PolarHBondContact O-N 2.83Å; S575-R577 PolarHBondContact O-N 2.77Å; R577-L579 VanDerWaalsContact C-N 3.29Å; R577-L579 PolarHBondContact O-N 3.14Å; R577-L580 PolarHBondContact O-N 2.63Å; R577-L580 VanDerWaalsContact O-N 3.16Å; R577-E581 WeakPolarHBondContact O-CB 3.41Å; R577-E581 VanDerWaalsContact O-CG 3.28Å; R577-E581 WeakPolarHBondContact O-CG 3.37Å; R577-E581 PolarHBondContact O-N 3.23Å; R577-E604 IonicContact CZ-OE1 2.82Å; R577-E604 IonicContact CZ-OE2 2.74Å; R577-E604 IonicContact NH1-OE1 3.9Å; R577-E604 PolarHBondContact NH1-OE1 3.04Å; R577-E604 IonicContact NH1-OE2 2.7Å; R577-E604 IonicContact NH2-OE1 2.91Å; R577-E604 PolarHBondContact NH2-OE1 3.17Å; R577-E604 IonicContact NH2-OE2 2.79Å; R577-E604 PolarHBondContact NH2-OE2 3.32Å; R577-L605 HydrophobicContact CG-CD2 3.52Å
578	K	96.3	Very high	95	Very high	96 Å²	96	46.7 Å²	46.7	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-58.1	-42.2	177.5	-134.3	-178.5	-168.2	175.2	0	111.6	E551 A574 S575 L576 E581 S582	E551-K578 HydrophobicContact CG-CD 3.92Å; E551-K578 IonicContact OE1-NZ 3.2Å; E551-K578 PolarHBondContact OE1-NZ 3.02Å; E551-K578 IonicContact OE2-NZ 3.01Å; E551-K578 PolarHBondContact OE2-NZ 2.81Å; A574-K578 PolarHBondContact O-N 2.78Å; S575-K578 WeakPolarHBondContact O-CB 3.28Å; S575-K578 PolarHBondContact O-N 2.94Å; L576-K578 VanDerWaalsContact C-N 3.33Å; K578-E581 PolarHBondContact O-N 3.29Å; K578-S582 WeakPolarHBondContact O-CB 3.49Å; K578-S582 PolarHBondContact O-N 3.07Å; K578-S582 PolarHBondContact O-OG 2.88Å; K578-S582 VanDerWaalsContact O-OG 3.12Å
579	L	97.7	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-50.8	174	-179.6	77.8	0	0	0	111.7	I550 L553 A554 L560 L563 S575 L576 R577 E581 S582 C583 L586 L589	I550-L579 HydrophobicContact CG2-CB 3.9Å; I550-L579 HydrophobicContact CG2-CD1 4.39Å; I550-L579 HydrophobicContact CG2-CD2 4.24Å; I550-L579 HydrophobicContact CG2-CG 4.4Å; L553-L579 HydrophobicContact CB-CD1 4.45Å; A554-L579 HydrophobicContact CB-CB 4.33Å; A554-L579 HydrophobicContact CB-CD1 4.03Å; L560-L579 HydrophobicContact CD1-CD1 4.48Å; L563-L579 HydrophobicContact CD2-CD1 4.45Å; L563-L579 HydrophobicContact CD2-CD2 3.39Å; S575-L579 PolarHBondContact O-N 2.92Å; L576-L579 WeakPolarHBondContact O-CB 3.19Å; L576-L579 PolarHBondContact O-N 2.8Å; R577-L579 VanDerWaalsContact C-N 3.29Å; R577-L579 PolarHBondContact O-N 3.14Å; L579-E581 VanDerWaalsContact C-N 3.27Å; L579-E581 PolarHBondContact O-N 2.8Å; L579-S582 PolarHBondContact O-N 2.75Å; L579-C583 WeakPolarHBondContact O-CB 3.36Å; L579-C583 PolarHBondContact O-N 2.81Å; L579-L586 HydrophobicContact CD2-CD2 4.28Å; L579-L589 HydrophobicContact CD2-CD1 4.39Å
580	L	97.1	Very high	95.5	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-31.8	-179.5	-68.7	161.9	0	0	0	112.3	L576 R577 L586 L589 L605 F609 V612 I614	L576-L580 WeakPolarHBondContact O-CB 3.23Å; L576-L580 WeakPolarHBondContact O-CD1 3.46Å; L576-L580 VanDerWaalsContact O-CG 3.23Å; L576-L580 WeakPolarHBondContact O-CG 3.44Å; L576-L580 PolarHBondContact O-N 3.31Å; R577-L580 PolarHBondContact O-N 2.63Å; R577-L580 VanDerWaalsContact O-N 3.16Å; L580-L586 HydrophobicContact CD2-CD2 3.76Å; L580-L589 HydrophobicContact CD1-CD2 4.49Å; L580-L589 HydrophobicContact CD2-CD2 4.28Å; L580-L605 HydrophobicContact CD1-CB 4.28Å; L580-L605 HydrophobicContact CD1-CD1 4.13Å; L580-L605 HydrophobicContact CD1-CD2 3.91Å; L580-L605 HydrophobicContact CD1-CG 4.33Å; L580-F609 HydrophobicContact CB-CD1 3.84Å; L580-F609 HydrophobicContact CB-CD2 3.85Å; L580-F609 HydrophobicContact CB-CE1 3.72Å; L580-F609 HydrophobicContact CB-CE2 3.74Å; L580-F609 HydrophobicContact CB-CG 3.91Å; L580-F609 HydrophobicContact CB-CZ 3.68Å; L580-F609 HydrophobicContact CD1-CD2 3.68Å; L580-F609 HydrophobicContact CD1-CE2 3.96Å; L580-F609 HydrophobicContact CD1-CG 4.26Å; L580-F609 HydrophobicContact CD2-CB 4.48Å; L580-F609 HydrophobicContact CD2-CG 4.41Å; L580-F609 HydrophobicContact CG-CD2 4.26Å; L580-F609 HydrophobicContact CG-CE2 4.46Å; L580-F609 HydrophobicContact CG-CG 4.43Å; L580-V612 HydrophobicContact CD2-CB 4.13Å; L580-V612 HydrophobicContact CD2-CG1 3.85Å; L580-V612 HydrophobicContact CD2-CG2 3.8Å; L580-I614 HydrophobicContact CD1-CD1 4.19Å
581	E	96.1	Very high	95.6	Very high	107 Å²	107	34.9 Å²	34.9	50%	0.5	19%	0.186	S	C	.	.	H	α-helix	trans	-71.1	-36.3	174.2	-74.8	171	-175.6	0	0	112.3	R577 K578 L579 K584 F609	R577-E581 WeakPolarHBondContact O-CB 3.41Å; R577-E581 VanDerWaalsContact O-CG 3.28Å; R577-E581 WeakPolarHBondContact O-CG 3.37Å; R577-E581 PolarHBondContact O-N 3.23Å; K578-E581 PolarHBondContact O-N 3.29Å; L579-E581 VanDerWaalsContact C-N 3.27Å; L579-E581 PolarHBondContact O-N 2.8Å; E581-K584 WeakPolarHBondContact O-CD 3.41Å; E581-K584 WeakPolarHBondContact O-CE 3.4Å; E581-K584 PolarHBondContact O-NZ 3.24Å; E581-F609 HydrophobicContact CG-CE1 4.23Å; E581-F609 HydrophobicContact CG-CZ 3.88Å
582	S	96.8	Very high	95.4	Very high	52 Å²	52	34.8 Å²	34.8	36%	0.364	19%	0.185	S	C	.	.	H	α-helix	trans	-85.1	-43.9	-178.7	-62.8	0	0	0	0	113.3	A554 K578 L579 K584	A554-S582 WeakPolarHBondContact O-CB 3.31Å; K578-S582 WeakPolarHBondContact O-CB 3.49Å; K578-S582 PolarHBondContact O-N 3.07Å; K578-S582 PolarHBondContact O-OG 2.88Å; K578-S582 VanDerWaalsContact O-OG 3.12Å; L579-S582 PolarHBondContact O-N 2.75Å; S582-K584 PolarHBondContact O-N 2.93Å
583	C	96.3	Very high	95.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	19%	0.19	C	C	.	.			trans	-90.8	81.7	-175.6	-60.2	0	0	0	0	110.9	C557 L560 L579 D585 L586	C557-C583 PolarHBondContact O-SG 3.38Å; L560-C583 HydrophobicContact CB-CB 4.33Å; L579-C583 WeakPolarHBondContact O-CB 3.36Å; L579-C583 PolarHBondContact O-N 2.81Å; C583-D585 VanDerWaalsContact C-N 3.27Å; C583-D585 PolarHBondContact O-N 3.47Å; C583-L586 HydrophobicContact CB-CB 4.18Å; C583-L586 VanDerWaalsContact O-CB 3.28Å; C583-L586 WeakPolarHBondContact O-CB 3.22Å; C583-L586 PolarHBondContact O-N 2.92Å; C583-L586 VanDerWaalsContact O-N 3.16Å
584	K	93.9	Very high	94.9	Very high	154 Å²	154	35.3 Å²	35.3	67%	0.67	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.4	-174.5	-60.1	-52.3	-166.2	-169.9	0	115	E581 S582 L586	E581-K584 WeakPolarHBondContact O-CD 3.41Å; E581-K584 WeakPolarHBondContact O-CE 3.4Å; E581-K584 PolarHBondContact O-NZ 3.24Å; S582-K584 PolarHBondContact O-N 2.93Å; K584-L586 VanDerWaalsContact C-N 3.32Å
585	D	93.2	Very high	94.5	Very high	92 Å²	92	36.4 Å²	36.4	49%	0.492	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.5	178.3	-68	-21.7	0	0	0	112.7	L560 R561 C583 S587	L560-D585 CarbonylContact O-C 3.48Å; R561-D585 WeakPolarHBondContact CA-O 3.27Å; R561-D585 HydrophobicContact CG-CB 4.17Å; C583-D585 VanDerWaalsContact C-N 3.27Å; C583-D585 PolarHBondContact O-N 3.47Å; D585-S587 PolarHBondContact O-N 3.24Å
586	L	95.4	Very high	94.1	Very high	6 Å²	6	41 Å²	41	3%	0.031	21%	0.208	C	C	.	.			trans	-62.9	128.3	179.5	-162.7	72.8	0	0	0	109.5	L560 L563 L579 L580 C583 K584 L589 V612	L560-L586 HydrophobicContact CB-CD1 4.15Å; L560-L586 WeakPolarHBondContact O-CA 3.28Å; L560-L586 PolarHBondContact O-N 2.86Å; L560-L586 VanDerWaalsContact O-N 3.17Å; L563-L586 HydrophobicContact CB-CD1 4.31Å; L579-L586 HydrophobicContact CD2-CD2 4.28Å; L580-L586 HydrophobicContact CD2-CD2 3.76Å; C583-L586 HydrophobicContact CB-CB 4.18Å; C583-L586 VanDerWaalsContact O-CB 3.28Å; C583-L586 WeakPolarHBondContact O-CB 3.22Å; C583-L586 PolarHBondContact O-N 2.92Å; C583-L586 VanDerWaalsContact O-N 3.16Å; K584-L586 VanDerWaalsContact C-N 3.32Å; L586-L589 HydrophobicContact CD2-CB 4.19Å; L586-V612 HydrophobicContact CD2-CG1 4.13Å; L586-V612 HydrophobicContact CG-CG1 4.18Å; L586-V612 WeakPolarHBondContact O-CG2 3.1Å
587	S	93.4	Very high	93.9	Very high	35 Å²	35	41.2 Å²	41.2	25%	0.245	21%	0.209	C	C	.	.			trans	-123.5	-25.5	-174.9	64.6	0	0	0	0	112.6	R561 D585 F613	R561-S587 PolarHBondContact O-N 3.24Å; R561-S587 PolarHBondContact O-OG 2.9Å; D585-S587 PolarHBondContact O-N 3.24Å; S587-F613 WeakPolarHBondContact O-CB 3.07Å; S587-F613 PolarHBondContact O-N 2.9Å
588	L	93.6	Very high	93.6	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.7	177.6	179.6	68.1	0	0	0	109.5	W102 R561 Q562 L563 F613 K615	W102-L588 HydrophobicContact CB-CD2 4.21Å; W102-L588 HydrophobicContact CD2-CB 4.3Å; W102-L588 HydrophobicContact CD2-CD1 4.3Å; W102-L588 HydrophobicContact CD2-CD2 3.83Å; W102-L588 HydrophobicContact CD2-CG 4.38Å; W102-L588 HydrophobicContact CE3-CB 4.03Å; W102-L588 HydrophobicContact CE3-CD2 4.33Å; W102-L588 HydrophobicContact CG-CD2 3.74Å; W102-L588 HydrophobicContact CH2-CB 4.43Å; W102-L588 HydrophobicContact CH2-CD1 4.35Å; W102-L588 HydrophobicContact CZ2-CD1 3.9Å; W102-L588 HydrophobicContact CZ3-CB 4.1Å; R561-L588 PolarHBondContact O-N 3.4Å; R561-L588 VanDerWaalsContact O-N 3.13Å; Q562-L588 WeakPolarHBondContact CA-O 3.13Å; Q562-L588 HydrophobicContact CB-CB 4.25Å; Q562-L588 HydrophobicContact CB-CD2 4.49Å; Q562-L588 HydrophobicContact CG-CB 4.03Å; Q562-L588 HydrophobicContact CG-CD2 4.48Å; L563-L588 PolarHBondContact N-O 2.87Å; L588-F613 HydrophobicContact CD1-CB 4.31Å; L588-K615 HydrophobicContact CD1-CG 3.73Å
589	L	95.8	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	111.5	172.4	175	59.7	0	0	0	109.1	L563 I565 L576 L579 L580 L586 V591 V612 F613 I614 K615	L563-L589 HydrophobicContact CB-CD1 4.06Å; L563-L589 HydrophobicContact CD2-CD1 3.99Å; L563-L589 HydrophobicContact CG-CD1 4.13Å; L563-L589 CarbonylContact O-C 3.57Å; L563-L589 VanDerWaalsContact O-CA 3.3Å; L563-L589 WeakPolarHBondContact O-CA 3.4Å; I565-L589 HydrophobicContact CG1-CD1 4.47Å; L576-L589 HydrophobicContact CD2-CD2 4.37Å; L579-L589 HydrophobicContact CD2-CD1 4.39Å; L580-L589 HydrophobicContact CD1-CD2 4.49Å; L580-L589 HydrophobicContact CD2-CD2 4.28Å; L586-L589 HydrophobicContact CD2-CB 4.19Å; L589-V591 HydrophobicContact CD1-CG1 4.19Å; L589-V591 HydrophobicContact CD2-CG1 4.26Å; L589-V591 HydrophobicContact CG-CG1 3.94Å; L589-V612 HydrophobicContact CB-CG1 4.19Å; L589-F613 PolarHBondContact N-O 3.48Å; L589-I614 HydrophobicContact CB-CG1 4.41Å; L589-I614 HydrophobicContact CD2-CG1 4.47Å; L589-I614 CarbonylContact O-C 3.52Å; L589-I614 VanDerWaalsContact O-CA 3.31Å; L589-I614 WeakPolarHBondContact O-CA 3.43Å; L589-K615 PolarHBondContact O-N 3.13Å
590	D	94.3	Very high	93	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.2	175.1	-163	-14.2	0	0	0	111.3	Y215 L563 D564 I565 S592 K615	Y215-D590 VanDerWaalsContact CE2-OD2 3.26Å; Y215-D590 WeakPolarHBondContact CE2-OD2 3.47Å; Y215-D590 PolarHBondContact OH-OD2 3.47Å; L563-D590 PolarHBondContact O-N 3.43Å; D564-D590 HydrophobicContact CB-CB 4.23Å; I565-D590 VanDerWaalsContact CG1-O 3.32Å; I565-D590 WeakPolarHBondContact CG1-O 3.4Å; I565-D590 PolarHBondContact N-O 2.53Å; D590-S592 WeakPolarHBondContact OD1-CB 3.11Å; D590-S592 PolarHBondContact OD1-N 2.93Å; D590-S592 PolarHBondContact OD1-OG 3.03Å; D590-K615 HydrophobicContact CB-CB 4.27Å
591	V	94.4	Very high	92.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.			trans	-117.8	24.2	177.2	-64.9	0	0	0	0	111.9	I565 L576 L589 C594 I597 V602 I614 K615 K616	I565-V591 HydrophobicContact CD1-CG1 4.06Å; I565-V591 HydrophobicContact CG1-CG1 4.12Å; L576-V591 HydrophobicContact CD1-CG1 3.86Å; L589-V591 HydrophobicContact CD1-CG1 4.19Å; L589-V591 HydrophobicContact CD2-CG1 4.26Å; L589-V591 HydrophobicContact CG-CG1 3.94Å; V591-C594 HydrophobicContact CB-CB 4.37Å; V591-C594 WeakPolarHBondContact O-CB 3.28Å; V591-C594 PolarHBondContact O-N 3.44Å; V591-C594 PolarHBondContact O-SG 3.27Å; V591-I597 HydrophobicContact CB-CG2 4.44Å; V591-I597 HydrophobicContact CG2-CG2 4.13Å; V591-V602 HydrophobicContact CG2-CG2 4Å; V591-I614 HydrophobicContact CG2-CG2 3.73Å; V591-K615 WeakPolarHBondContact CG2-O 3.46Å; V591-K615 PolarHBondContact N-O 3.23Å; V591-K616 HydrophobicContact CG2-CB 4.33Å; V591-K616 PolarHBondContact O-NZ 3.17Å; V591-K616 VanDerWaalsContact O-NZ 3.17Å
592	S	91.1	Very high	92.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138.5	174.1	-60.7	0	0	0	0	110.2	Y215 L566 G567 D590 C594 S617	Y215-S592 WeakPolarHBondContact OH-CB 3.37Å; Y215-S592 PolarHBondContact OH-OG 2.97Å; Y215-S592 VanDerWaalsContact OH-OG 3.09Å; L566-S592 CarbonylContact C-O 3.38Å; L566-S592 VanDerWaalsContact CA-O 3.25Å; L566-S592 WeakPolarHBondContact CA-O 3.01Å; G567-S592 PolarHBondContact N-O 3.01Å; D590-S592 WeakPolarHBondContact OD1-CB 3.11Å; D590-S592 PolarHBondContact OD1-N 2.93Å; D590-S592 PolarHBondContact OD1-OG 3.03Å; S592-C594 PolarHBondContact O-N 3.5Å; S592-S617 WeakPolarHBondContact OG-CB 3.5Å; S592-S617 PolarHBondContact OG-N 3.13Å
593	F	88.9	Confident	92.5	Very high	55 Å²	55	50.2 Å²	50.2	24%	0.241	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	16.2	-178.3	-52.9	-74.6	0	0	0	116.2	D89 L566 S595 S617 T619	D89-F593 HydrophobicContact CB-CZ 4.08Å; D89-F593 VanDerWaalsContact CG-CZ 3.46Å; D89-F593 VanDerWaalsContact OD2-CE2 3.31Å; D89-F593 WeakPolarHBondContact OD2-CE2 3.44Å; D89-F593 VanDerWaalsContact OD2-CZ 3.26Å; D89-F593 WeakPolarHBondContact OD2-CZ 3.37Å; L566-F593 HydrophobicContact CD1-CD2 4.33Å; L566-F593 HydrophobicContact CD2-CD2 3.92Å; L566-F593 HydrophobicContact CG-CD2 3.98Å; F593-S595 PolarHBondContact O-N 3.43Å; F593-S617 PolarHBondContact N-O 3.35Å; F593-T619 HydrophobicContact CD1-CG2 4.43Å; F593-T619 HydrophobicContact CE1-CG2 3.45Å; F593-T619 VanDerWaalsContact CE1-CG2 3.45Å; F593-T619 VanDerWaalsContact CE1-N 3.27Å; F593-T619 HydrophobicContact CZ-CG2 4.05Å
594	C	91.8	Very high	92.5	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.034	27%	0.27	C	S	.	.			trans	-77.1	113.1	170	-65	0	0	0	0	110.7	I565 T568 V591 S592 Q596 I597 K616	I565-C594 PolarHBondContact O-SG 3.43Å; T568-C594 VanDerWaalsContact O-CA 3.28Å; T568-C594 WeakPolarHBondContact O-CA 3.4Å; T568-C594 PolarHBondContact OG1-SG 2.75Å; V591-C594 HydrophobicContact CB-CB 4.37Å; V591-C594 WeakPolarHBondContact O-CB 3.28Å; V591-C594 PolarHBondContact O-N 3.44Å; V591-C594 PolarHBondContact O-SG 3.27Å; S592-C594 PolarHBondContact O-N 3.5Å; C594-Q596 VanDerWaalsContact C-N 3.3Å; C594-Q596 PolarHBondContact O-N 3.37Å; C594-I597 HydrophobicContact CB-CB 4.03Å; C594-I597 HydrophobicContact CB-CG1 3.81Å; C594-I597 PolarHBondContact O-N 3.16Å; C594-I597 VanDerWaalsContact O-O 3.12Å; C594-K616 PolarHBondContact O-NZ 3.43Å
595	S	87.4	Confident	92.5	Very high	86 Å²	86	47 Å²	47	60%	0.601	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24	-169.1	54.2	0	0	0	0	115.2	R569 F593	R569-S595 WeakPolarHBondContact CA-OG 3.24Å; R569-S595 PolarHBondContact O-OG 3.4Å; F593-S595 PolarHBondContact O-N 3.43Å
596	Q	89.8	Confident	92.5	Very high	98 Å²	98	45.3 Å²	45.3	46%	0.458	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.4	-179.9	-63.1	-172.9	45.4	0	0	113.5	R569 V571 C594	R569-Q596 PolarHBondContact O-NE2 3.33Å; V571-Q596 WeakPolarHBondContact O-CB 3.3Å; C594-Q596 VanDerWaalsContact C-N 3.3Å; C594-Q596 PolarHBondContact O-N 3.37Å
597	I	91.5	Very high	92.5	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	26%	0.258	C	S	.	.			trans	-105.9	117.1	178.5	-52.1	-54.6	0	0	0	106.4	P573 L576 V591 C594 V601 V602 K616	P573-I597 HydrophobicContact CB-CD1 4.39Å; P573-I597 HydrophobicContact CG-CD1 3.83Å; L576-I597 HydrophobicContact CD1-CD1 3.57Å; L576-I597 HydrophobicContact CD1-CG1 3.9Å; L576-I597 HydrophobicContact CG-CD1 4.43Å; V591-I597 HydrophobicContact CB-CG2 4.44Å; V591-I597 HydrophobicContact CG2-CG2 4.13Å; C594-I597 HydrophobicContact CB-CB 4.03Å; C594-I597 HydrophobicContact CB-CG1 3.81Å; C594-I597 PolarHBondContact O-N 3.16Å; C594-I597 VanDerWaalsContact O-O 3.12Å; I597-V601 HydrophobicContact CD1-CG1 4.48Å; I597-V601 HydrophobicContact CG2-CB 4.28Å; I597-V601 HydrophobicContact CG2-CG1 4Å; I597-V602 HydrophobicContact CG2-CG2 3.83Å; I597-K616 WeakPolarHBondContact O-CE 3.37Å; I597-K616 PolarHBondContact O-NZ 2.86Å
598	D	90.4	Very high	92.5	Very high	73 Å²	73	51.5 Å²	51.5	39%	0.39	27%	0.27	S	S	.	.			trans	-102.7	179.9	174.4	72.4	12.9	0	0	0	111.1	R600 V601 V602	D598-R600 VanDerWaalsContact C-N 3.27Å; D598-R600 PolarHBondContact O-N 3.46Å; D598-R600 WeakPolarHBondContact OD1-CA 3.28Å; D598-R600 WeakPolarHBondContact OD1-CB 3.4Å; D598-R600 PolarHBondContact OD1-N 3.3Å; D598-V601 PolarHBondContact O-N 3.46Å; D598-V601 WeakPolarHBondContact OD1-CG2 3.45Å; D598-V601 PolarHBondContact OD1-N 3.01Å; D598-V602 PolarHBondContact O-N 3.46Å
599	N	90.2	Very high	92.6	Very high	86 Å²	86	52.9 Å²	52.9	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-30	177.8	-83.3	-29.2	0	0	0	113.4	V602 L603 F618	N599-V602 PolarHBondContact O-N 3.09Å; N599-L603 WeakPolarHBondContact O-CB 3.38Å; N599-L603 VanDerWaalsContact O-CG 3.25Å; N599-L603 WeakPolarHBondContact O-CG 3.34Å; N599-L603 PolarHBondContact O-N 3.48Å; N599-F618 HydrophobicContact CB-CZ 4.44Å; N599-F618 VanDerWaalsContact CG-CE2 3.49Å; N599-F618 VanDerWaalsContact ND2-CE2 3.32Å; N599-F618 WeakPolarHBondContact ND2-CE2 3.4Å; N599-F618 WeakPolarHBondContact ND2-CZ 3.42Å; N599-F618 WeakPolarHBondContact OD1-CE2 3.37Å; N599-F618 WeakPolarHBondContact OD1-CZ 3.3Å
600	R	92.2	Very high	92.5	Very high	202 Å²	202	57.8 Å²	57.8	76%	0.762	31%	0.307	S	S	*	.	H	α-helix	trans	-67.7	-43.6	-179.8	-63.2	175.7	176.7	172.7	-0.4	109.8	D598 L603 E604	D598-R600 VanDerWaalsContact C-N 3.27Å; D598-R600 PolarHBondContact O-N 3.46Å; D598-R600 WeakPolarHBondContact OD1-CA 3.28Å; D598-R600 WeakPolarHBondContact OD1-CB 3.4Å; D598-R600 PolarHBondContact OD1-N 3.3Å; R600-L603 PolarHBondContact O-N 3.01Å; R600-E604 WeakPolarHBondContact O-CB 3.13Å; R600-E604 PolarHBondContact O-N 3.31Å
601	V	93.4	Very high	92.3	Very high	17 Å²	17	64.9 Å²	64.9	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-47.1	174	173.4	0	0	0	0	110.8	P573 I597 D598 L603 E604 L605	P573-V601 HydrophobicContact CB-CG1 3.66Å; P573-V601 HydrophobicContact CB-CG2 4.15Å; P573-V601 HydrophobicContact CG-CB 4.4Å; P573-V601 HydrophobicContact CG-CG1 3.85Å; P573-V601 HydrophobicContact CG-CG2 3.68Å; I597-V601 HydrophobicContact CD1-CG1 4.48Å; I597-V601 HydrophobicContact CG2-CB 4.28Å; I597-V601 HydrophobicContact CG2-CG1 4Å; D598-V601 PolarHBondContact O-N 3.46Å; D598-V601 WeakPolarHBondContact OD1-CG2 3.45Å; D598-V601 PolarHBondContact OD1-N 3.01Å; V601-L603 PolarHBondContact O-N 3.18Å; V601-E604 WeakPolarHBondContact O-CB 2.99Å; V601-E604 PolarHBondContact O-N 3.17Å; V601-L605 HydrophobicContact CG1-CD1 3.92Å; V601-L605 HydrophobicContact CG1-CG 4.18Å; V601-L605 VanDerWaalsContact O-CG 3.31Å; V601-L605 WeakPolarHBondContact O-CG 3.49Å; V601-L605 PolarHBondContact O-N 3.48Å
602	V	93.5	Very high	92.3	Very high	10 Å²	10	65.6 Å²	65.6	6%	0.061	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-42.4	179.3	171.9	0	0	0	0	112.1	V591 I597 D598 N599 E604 L605 N606 I614 K616	V591-V602 HydrophobicContact CG2-CG2 4Å; I597-V602 HydrophobicContact CG2-CG2 3.83Å; D598-V602 PolarHBondContact O-N 3.46Å; N599-V602 PolarHBondContact O-N 3.09Å; V602-E604 VanDerWaalsContact C-N 3.31Å; V602-E604 PolarHBondContact O-N 3.33Å; V602-L605 PolarHBondContact O-N 3.05Å; V602-N606 WeakPolarHBondContact O-CB 3.44Å; V602-N606 PolarHBondContact O-N 2.86Å; V602-N606 PolarHBondContact O-ND2 3.34Å; V602-I614 HydrophobicContact CG1-CB 4.29Å; V602-I614 HydrophobicContact CG1-CG2 3.97Å; V602-I614 HydrophobicContact CG2-CG2 4.17Å; V602-K616 HydrophobicContact CG2-CB 4.18Å; V602-K616 HydrophobicContact CG2-CD 3.61Å; V602-K616 HydrophobicContact CG2-CG 4.49Å
603	L	92.9	Very high	92.3	Very high	122 Å²	122	69.6 Å²	69.6	64%	0.639	37%	0.367	S	S	*	.	H	α-helix	trans	-61.4	-41.5	175.8	-71.5	170.3	0	0	0	111.7	N599 R600 V601 A607	N599-L603 WeakPolarHBondContact O-CB 3.38Å; N599-L603 VanDerWaalsContact O-CG 3.25Å; N599-L603 WeakPolarHBondContact O-CG 3.34Å; N599-L603 PolarHBondContact O-N 3.48Å; R600-L603 PolarHBondContact O-N 3.01Å; V601-L603 PolarHBondContact O-N 3.18Å; L603-A607 WeakPolarHBondContact O-CB 3.49Å; L603-A607 PolarHBondContact O-N 2.93Å
604	E	95.1	Very high	92.5	Very high	89 Å²	89	67.3 Å²	67.3	42%	0.416	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.3	-167.8	-166.1	160.5	0	0	112	R577 R600 V601 V602 A607 N608	R577-E604 IonicContact CZ-OE1 2.82Å; R577-E604 IonicContact CZ-OE2 2.74Å; R577-E604 IonicContact NH1-OE1 3.9Å; R577-E604 PolarHBondContact NH1-OE1 3.04Å; R577-E604 IonicContact NH1-OE2 2.7Å; R577-E604 IonicContact NH2-OE1 2.91Å; R577-E604 PolarHBondContact NH2-OE1 3.17Å; R577-E604 IonicContact NH2-OE2 2.79Å; R577-E604 PolarHBondContact NH2-OE2 3.32Å; R600-E604 WeakPolarHBondContact O-CB 3.13Å; R600-E604 PolarHBondContact O-N 3.31Å; V601-E604 WeakPolarHBondContact O-CB 2.99Å; V601-E604 PolarHBondContact O-N 3.17Å; V602-E604 VanDerWaalsContact C-N 3.31Å; V602-E604 PolarHBondContact O-N 3.33Å; E604-A607 PolarHBondContact O-N 3.07Å; E604-N608 PolarHBondContact O-N 2.87Å; E604-N608 VanDerWaalsContact O-N 3.12Å; E604-N608 PolarHBondContact O-ND2 2.79Å
605	L	94.7	Very high	92.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-42.8	177.1	-66.6	178.9	0	0	0	111.3	L576 R577 L580 V601 V602 A607 N608 F609 I614	L576-L605 HydrophobicContact CB-CD1 4.2Å; L576-L605 HydrophobicContact CD1-CD1 4.24Å; R577-L605 HydrophobicContact CG-CD2 3.52Å; L580-L605 HydrophobicContact CD1-CB 4.28Å; L580-L605 HydrophobicContact CD1-CD1 4.13Å; L580-L605 HydrophobicContact CD1-CD2 3.91Å; L580-L605 HydrophobicContact CD1-CG 4.33Å; V601-L605 HydrophobicContact CG1-CD1 3.92Å; V601-L605 HydrophobicContact CG1-CG 4.18Å; V601-L605 VanDerWaalsContact O-CG 3.31Å; V601-L605 WeakPolarHBondContact O-CG 3.49Å; V601-L605 PolarHBondContact O-N 3.48Å; V602-L605 PolarHBondContact O-N 3.05Å; L605-A607 VanDerWaalsContact C-N 3.29Å; L605-A607 PolarHBondContact O-N 2.67Å; L605-N608 PolarHBondContact O-N 2.89Å; L605-F609 HydrophobicContact CD2-CE2 4.36Å; L605-F609 WeakPolarHBondContact O-CB 3.45Å; L605-F609 WeakPolarHBondContact O-CD2 3.45Å; L605-F609 PolarHBondContact O-N 3.46Å; L605-I614 HydrophobicContact CB-CD1 3.41Å; L605-I614 VanDerWaalsContact CB-CD1 3.41Å; L605-I614 HydrophobicContact CD1-CD1 4.27Å; L605-I614 HydrophobicContact CG-CD1 4.48Å
606	N	93.4	Very high	92.4	Very high	55 Å²	55	65.1 Å²	65.1	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-36	175.8	-79.4	-25.9	0	0	0	112.3	V602 N608 F609 P610 I614	V602-N606 WeakPolarHBondContact O-CB 3.44Å; V602-N606 PolarHBondContact O-N 2.86Å; V602-N606 PolarHBondContact O-ND2 3.34Å; N606-N608 VanDerWaalsContact C-N 3.35Å; N606-F609 CarbonylContact O-C 3.51Å; N606-P610 WeakPolarHBondContact O-CA 3.19Å; N606-I614 WeakPolarHBondContact OD1-CB 3.29Å; N606-I614 WeakPolarHBondContact OD1-CG1 3.39Å
607	A	94.1	Very high	92	Very high	78 Å²	78	60.5 Å²	60.5	65%	0.645	32%	0.315	S	S	*	.	H	α-helix	trans	-66.1	-37.7	175.6	0	0	0	0	0	112.2	L603 E604 L605	L603-A607 WeakPolarHBondContact O-CB 3.49Å; L603-A607 PolarHBondContact O-N 2.93Å; E604-A607 PolarHBondContact O-N 3.07Å; L605-A607 VanDerWaalsContact C-N 3.29Å; L605-A607 PolarHBondContact O-N 2.67Å
608	N	94.8	Very high	90.9	Very high	94 Å²	94	64.5 Å²	64.5	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-82.3	-26.6	179.9	-67.6	-33.2	0	0	0	113.3	E604 L605 N606	E604-N608 PolarHBondContact O-N 2.87Å; E604-N608 VanDerWaalsContact O-N 3.12Å; E604-N608 PolarHBondContact O-ND2 2.79Å; L605-N608 PolarHBondContact O-N 2.89Å; N606-N608 VanDerWaalsContact C-N 3.35Å
609	F	95.6	Very high	89.2	Confident	35 Å²	35	64.9 Å²	64.9	15%	0.154	34%	0.338	C	S	.	.			trans	-131.7	66.8	-174.6	-56.4	-79.7	0	0	0	111.3	L580 E581 L605 N606 N611 V612	L580-F609 HydrophobicContact CB-CD1 3.84Å; L580-F609 HydrophobicContact CB-CD2 3.85Å; L580-F609 HydrophobicContact CB-CE1 3.72Å; L580-F609 HydrophobicContact CB-CE2 3.74Å; L580-F609 HydrophobicContact CB-CG 3.91Å; L580-F609 HydrophobicContact CB-CZ 3.68Å; L580-F609 HydrophobicContact CD1-CD2 3.68Å; L580-F609 HydrophobicContact CD1-CE2 3.96Å; L580-F609 HydrophobicContact CD1-CG 4.26Å; L580-F609 HydrophobicContact CD2-CB 4.48Å; L580-F609 HydrophobicContact CD2-CG 4.41Å; L580-F609 HydrophobicContact CG-CD2 4.26Å; L580-F609 HydrophobicContact CG-CE2 4.46Å; L580-F609 HydrophobicContact CG-CG 4.43Å; E581-F609 HydrophobicContact CG-CE1 4.23Å; E581-F609 HydrophobicContact CG-CZ 3.88Å; L605-F609 HydrophobicContact CD2-CE2 4.36Å; L605-F609 WeakPolarHBondContact O-CB 3.45Å; L605-F609 WeakPolarHBondContact O-CD2 3.45Å; L605-F609 PolarHBondContact O-N 3.46Å; N606-F609 CarbonylContact O-C 3.51Å; F609-N611 PolarHBondContact O-N 3.35Å; F609-N611 VanDerWaalsContact O-N 3.1Å; F609-V612 HydrophobicContact CB-CB 4.46Å; F609-V612 HydrophobicContact CB-CG2 3.93Å; F609-V612 PolarHBondContact O-N 3.41Å; F609-V612 VanDerWaalsContact O-N 3.09Å
610	P	92.3	Very high	87.1	Confident	103 Å²	103	70.2 Å²	70.2	67%	0.669	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.1	-169.9	27.1	-36.8	0	0	0	114.8	N606 V612	N606-P610 WeakPolarHBondContact O-CA 3.19Å; P610-V612 VanDerWaalsContact C-N 3.34Å
611	N	91.4	Very high	86.9	Confident	150 Å²	150	63.6 Å²	63.6	80%	0.802	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.5	178.6	-63.2	-31.7	0	0	0	113.1	F609	F609-N611 PolarHBondContact O-N 3.35Å; F609-N611 VanDerWaalsContact O-N 3.1Å
612	V	93.3	Very high	86.5	Confident	15 Å²	15	66.1 Å²	66.1	9%	0.091	35%	0.352	C	S	.	.	S	Bend	trans	-101.9	122.4	-179.1	-167.5	0	0	0	0	109	L580 L586 L589 F609 P610 I614	L580-V612 HydrophobicContact CD2-CB 4.13Å; L580-V612 HydrophobicContact CD2-CG1 3.85Å; L580-V612 HydrophobicContact CD2-CG2 3.8Å; L586-V612 HydrophobicContact CD2-CG1 4.13Å; L586-V612 HydrophobicContact CG-CG1 4.18Å; L586-V612 WeakPolarHBondContact O-CG2 3.1Å; L589-V612 HydrophobicContact CB-CG1 4.19Å; F609-V612 HydrophobicContact CB-CB 4.46Å; F609-V612 HydrophobicContact CB-CG2 3.93Å; F609-V612 PolarHBondContact O-N 3.41Å; F609-V612 VanDerWaalsContact O-N 3.09Å; P610-V612 VanDerWaalsContact C-N 3.34Å; V612-I614 HydrophobicContact CB-CG1 4.34Å; V612-I614 HydrophobicContact CG1-CG1 4.07Å; V612-I614 PolarHBondContact O-N 2.88Å; V612-I614 VanDerWaalsContact O-N 3.13Å
613	F	91.9	Very high	86.1	Confident	84 Å²	84	69.2 Å²	69.2	37%	0.368	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	98	170.9	-156.9	-58.5	0	0	0	109.5	W102 S587 L588 L589 K615	W102-F613 HydrophobicContact CH2-CB 3.78Å; W102-F613 HydrophobicContact CH2-CG 4.32Å; W102-F613 HydrophobicContact CZ2-CB 4.05Å; W102-F613 HydrophobicContact CZ2-CD2 4.35Å; W102-F613 HydrophobicContact CZ2-CG 4.16Å; S587-F613 WeakPolarHBondContact O-CB 3.07Å; S587-F613 PolarHBondContact O-N 2.9Å; L588-F613 HydrophobicContact CD1-CB 4.31Å; L589-F613 PolarHBondContact N-O 3.48Å; F613-K615 HydrophobicContact CD1-CD 3.41Å; F613-K615 VanDerWaalsContact CD1-CD 3.41Å; F613-K615 HydrophobicContact CD1-CG 3.76Å; F613-K615 HydrophobicContact CE1-CD 3.25Å; F613-K615 HydrophobicContact CE1-CG 4.05Å; F613-K615 HydrophobicContact CZ-CD 4.22Å; F613-K615 PolarHBondContact O-N 3Å
614	I	93.5	Very high	85.7	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.041	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107.1	175.1	-52.5	178	0	0	0	109.4	L580 L589 V591 V602 L605 N606 V612	L580-I614 HydrophobicContact CD1-CD1 4.19Å; L589-I614 HydrophobicContact CB-CG1 4.41Å; L589-I614 HydrophobicContact CD2-CG1 4.47Å; L589-I614 CarbonylContact O-C 3.52Å; L589-I614 VanDerWaalsContact O-CA 3.31Å; L589-I614 WeakPolarHBondContact O-CA 3.43Å; V591-I614 HydrophobicContact CG2-CG2 3.73Å; V602-I614 HydrophobicContact CG1-CB 4.29Å; V602-I614 HydrophobicContact CG1-CG2 3.97Å; V602-I614 HydrophobicContact CG2-CG2 4.17Å; L605-I614 HydrophobicContact CB-CD1 3.41Å; L605-I614 VanDerWaalsContact CB-CD1 3.41Å; L605-I614 HydrophobicContact CD1-CD1 4.27Å; L605-I614 HydrophobicContact CG-CD1 4.48Å; N606-I614 WeakPolarHBondContact OD1-CB 3.29Å; N606-I614 WeakPolarHBondContact OD1-CG1 3.39Å; V612-I614 HydrophobicContact CB-CG1 4.34Å; V612-I614 HydrophobicContact CG1-CG1 4.07Å; V612-I614 PolarHBondContact O-N 2.88Å; V612-I614 VanDerWaalsContact O-N 3.13Å
615	K	89.3	Confident	85.1	Confident	9 Å²	9	64.6 Å²	64.6	4%	0.039	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.3	179.1	-60	-77.4	175	-164.8	0	110.4	D214 Y215 L588 L589 D590 V591 F613	D214-K615 WeakPolarHBondContact O-CD 3.11Å; D214-K615 WeakPolarHBondContact O-CE 3.42Å; D214-K615 PolarHBondContact O-NZ 3.44Å; Y215-K615 HydrophobicContact CD2-CD 4.03Å; Y215-K615 HydrophobicContact CD2-CG 4.42Å; Y215-K615 HydrophobicContact CE2-CB 4.24Å; Y215-K615 HydrophobicContact CE2-CG 4.49Å; L588-K615 HydrophobicContact CD1-CG 3.73Å; L589-K615 PolarHBondContact O-N 3.13Å; D590-K615 HydrophobicContact CB-CB 4.27Å; V591-K615 WeakPolarHBondContact CG2-O 3.46Å; V591-K615 PolarHBondContact N-O 3.23Å; F613-K615 HydrophobicContact CD1-CD 3.41Å; F613-K615 VanDerWaalsContact CD1-CD 3.41Å; F613-K615 HydrophobicContact CD1-CG 3.76Å; F613-K615 HydrophobicContact CE1-CD 3.25Å; F613-K615 HydrophobicContact CE1-CG 4.05Å; F613-K615 HydrophobicContact CZ-CD 4.22Å; F613-K615 PolarHBondContact O-N 3Å
616	K	86.9	Confident	84.5	Confident	36 Å²	36	68.9 Å²	68.9	16%	0.157	37%	0.372	C	S	.	.			trans	-147.9	108.2	171.6	-170.1	170.6	-170.5	70.4	0	112.2	V591 C594 I597 V602 F618	V591-K616 HydrophobicContact CG2-CB 4.33Å; V591-K616 PolarHBondContact O-NZ 3.17Å; V591-K616 VanDerWaalsContact O-NZ 3.17Å; C594-K616 PolarHBondContact O-NZ 3.43Å; I597-K616 WeakPolarHBondContact O-CE 3.37Å; I597-K616 PolarHBondContact O-NZ 2.86Å; V602-K616 HydrophobicContact CG2-CB 4.18Å; V602-K616 HydrophobicContact CG2-CD 3.61Å; V602-K616 HydrophobicContact CG2-CG 4.49Å; K616-F618 HydrophobicContact CD-CE1 4.12Å; K616-F618 HydrophobicContact CD-CE2 3.79Å; K616-F618 HydrophobicContact CD-CZ 3.39Å; K616-F618 HydrophobicContact CG-CD2 4.39Å; K616-F618 HydrophobicContact CG-CE1 4.46Å; K616-F618 HydrophobicContact CG-CE2 3.71Å; K616-F618 HydrophobicContact CG-CZ 3.78Å
617	S	82.3	Confident	83.9	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.007	38%	0.377	C	S	.	.			trans	-92.5	150.7	167	-164.4	0	0	0	0	111	D89 Y145 S592 F593	D89-S617 VanDerWaalsContact CB-OG 3.28Å; D89-S617 WeakPolarHBondContact CB-OG 2.99Å; D89-S617 PolarHBondContact OD2-OG 3.49Å; Y145-S617 WeakPolarHBondContact OH-CB 3.46Å; Y145-S617 PolarHBondContact OH-OG 3.37Å; S592-S617 WeakPolarHBondContact OG-CB 3.5Å; S592-S617 PolarHBondContact OG-N 3.13Å; F593-S617 PolarHBondContact N-O 3.35Å
618	F	67.1	Low	83.1	Confident	87 Å²	87	69.3 Å²	69.3	38%	0.382	36%	0.356	S	S	.	.			trans	-131.4	142.1	169.9	-57	-96.3	0	0	0	109	N599 K616	N599-F618 HydrophobicContact CB-CZ 4.44Å; N599-F618 VanDerWaalsContact CG-CE2 3.49Å; N599-F618 VanDerWaalsContact ND2-CE2 3.32Å; N599-F618 WeakPolarHBondContact ND2-CE2 3.4Å; N599-F618 WeakPolarHBondContact ND2-CZ 3.42Å; N599-F618 WeakPolarHBondContact OD1-CE2 3.37Å; N599-F618 WeakPolarHBondContact OD1-CZ 3.3Å; K616-F618 HydrophobicContact CD-CE1 4.12Å; K616-F618 HydrophobicContact CD-CE2 3.79Å; K616-F618 HydrophobicContact CD-CZ 3.39Å; K616-F618 HydrophobicContact CG-CD2 4.39Å; K616-F618 HydrophobicContact CG-CE1 4.46Å; K616-F618 HydrophobicContact CG-CE2 3.71Å; K616-F618 HydrophobicContact CG-CZ 3.78Å
619	T	56.4	Low	82.1	Confident	81 Å²	81	67.3 Å²	67.3	50%	0.497	34%	0.344	S	S	.	.			trans	-71.1	125.5	158.7	44.3	0	0	0	0	106.7	D89 F593	D89-T619 WeakPolarHBondContact O-CG2 3.35Å; F593-T619 HydrophobicContact CD1-CG2 4.43Å; F593-T619 HydrophobicContact CE1-CG2 3.45Å; F593-T619 VanDerWaalsContact CE1-CG2 3.45Å; F593-T619 VanDerWaalsContact CE1-N 3.27Å; F593-T619 HydrophobicContact CZ-CG2 4.05Å
620	Q	45.3	Very low	80.9	Confident	198 Å²	198	70.2 Å²	70.2	93%	0.925	36%	0.362	S	S	*	.			trans	-69.9	0	169.1	-74	-172	17.3	0	0	111.3	S87	S87-Q620 PolarHBondContact O-NE2 3.24Å; S87-Q620 PolarHBondContact O-OE1 2.72Å

Retrieved 620 of 620 residues in 210.2 ms (Link to these results)

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