A0A093HHK3_STRCA Loading...

Kelch-like 8

AlphaFold DB , UniProt , Accession A0A093HHK3, Species STRCA (Struthio camelus australis), Gene n/a, Length 616 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	36.8	Very low	29.4	Very low	238 Å²	238	137.3 Å²	137.3	100%	1.172	78%	0.783	S	S	*	*				0	105.4	0	-56.6	179.7	-164.4	0	0	104.6
2	A	28.3	Very low	29.2	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	79%	0.787	S	S	*	*				65.2	98.1	82.8	0	0	0	0	0	108.8
3	S	26.8	Very low	29	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	78%	0.783	S	S	*	*				103.5	145.9	89.2	64.6	0	0	0	0	107.9
4	E	29	Very low	29	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	78%	0.783	S	S	*	*			cis	-142.2	156	17.2	-112.8	123	-129.2	0	0	112.5
5	S	28.3	Very low	28.9	Very low	92 Å²	92	145.4 Å²	145.4	64%	0.643	78%	0.784	S	S	*	*			trans	-32.8	154.9	146.1	49.6	0	0	0	0	115.8
6	M	27.8	Very low	28.9	Very low	183 Å²	183	146.7 Å²	146.7	90%	0.901	79%	0.789	S	S	*	*				-157.7	158.4	65.5	-85.2	-171.3	165.3	0	0	116.5
7	V	26.6	Very low	29	Very low	135 Å²	135	149 Å²	149	82%	0.818	79%	0.79	S	S	*	*			trans	-95.9	165.9	172.1	160.5	0	0	0	0	107.6
8	P	41.1	Very low	28.9	Very low	99 Å²	99	145.1 Å²	145.1	64%	0.643	79%	0.791	S	S	*	*			cis	-119.1	-155.2	16.1	34.4	-11.1	0	0	0	112.7
9	E	26.4	Very low	29	Very low	152 Å²	152	148.5 Å²	148.5	71%	0.71	80%	0.798	S	S	*	*			cis	-149.3	-130.6	12.6	-161.6	57.5	-89.4	0	0	112.2
10	Q	26.2	Very low	29	Very low	166 Å²	166	153.2 Å²	153.2	78%	0.776	80%	0.803	S	S	*	*			trans	-131.8	149.4	-163.1	-60.2	170.9	13.5	0	0	112.9
11	A	26	Very low	29.2	Very low	90 Å²	90	155.1 Å²	155.1	74%	0.744	81%	0.808	S	S	*	*				135.3	110.9	118.7	0	0	0	0	0	117.1
12	K	27.1	Very low	28.9	Very low	190 Å²	190	152.9 Å²	152.9	83%	0.826	80%	0.795	S	S	*	*			trans	59.8	127.8	135.2	-77.9	-177.1	177.4	177.8	0	122.8
13	Q	26.7	Very low	29.2	Very low	158 Å²	158	157.7 Å²	157.7	74%	0.738	80%	0.802	S	S	*	*				110.6	125.3	128.6	-84.9	178.3	-40	0	0	121.9
14	H	28.4	Very low	29.5	Very low	169 Å²	169	162.3 Å²	162.3	78%	0.782	81%	0.813	S	S	*	*			trans	52	112.2	154	-68.3	-70.8	0	0	0	122.2
15	L	27.3	Very low	29.8	Very low	154 Å²	154	162.4 Å²	162.4	81%	0.806	81%	0.813	S	S	*	*			trans	-93.1	119.9	158.7	-84.6	155.5	0	0	0	110.7
16	I	29.6	Very low	30	Very low	166 Å²	166	165 Å²	165	85%	0.851	83%	0.825	S	S	*	*			trans	-133.9	114.3	149.3	-60.8	-178.7	0	0	0	106.5
17	K	30.9	Very low	30.3	Very low	186 Å²	186	167.4 Å²	167.4	81%	0.809	83%	0.825	S	S	*	*			trans	-112.3	119.5	172.7	-84.4	-173.5	174.2	179.7	0	109.3
18	G	27	Very low	30.5	Very low	79 Å²	79	166.8 Å²	166.8	81%	0.814	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.4	153.7	174.4	0	0	0	0	0	112.7
19	K	29.9	Very low	30.4	Very low	210 Å²	210	167.2 Å²	167.2	91%	0.913	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-102.7	126.3	168.5	-79.5	-174.8	173.7	-179.1	0	109.8
20	R	30.6	Very low	30.9	Very low	241 Å²	241	167.9 Å²	167.9	91%	0.909	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-73.6	141.9	165.5	-67.6	171.4	168.2	171.4	-6.9	109.1
21	Q	32.3	Very low	31.8	Very low	195 Å²	195	165 Å²	165	91%	0.911	84%	0.838	S	S	*	*			trans	-106.9	139.3	154.8	-81.7	-178.8	-24	0	0	108.6
22	Q	31.5	Very low	32.7	Very low	191 Å²	191	168.3 Å²	168.3	89%	0.893	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-90.8	130.5	-177.7	-71.3	167.7	-47.7	0	0	109.7
23	Q	34.2	Very low	34	Very low	189 Å²	189	163.3 Å²	163.3	88%	0.883	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.2	164.4	-73.3	170.6	-29.7	0	0	109.3
24	Q	32.2	Very low	35.2	Very low	196 Å²	196	164.4 Å²	164.4	92%	0.916	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-78.6	127.6	169.1	-78.4	177.4	-27.9	0	0	109.6
25	Q	35.2	Very low	36.6	Very low	170 Å²	170	163.7 Å²	163.7	79%	0.794	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-95.7	119.4	169.3	-74.1	-178.7	-21.2	0	0	109.9
26	T	32.3	Very low	38.2	Very low	146 Å²	146	165.7 Å²	165.7	90%	0.896	86%	0.858	S	S	*	*			trans	-82.6	113	160.1	38.3	0	0	0	0	109.4
27	R	34.8	Very low	40.3	Very low	234 Å²	234	164.7 Å²	164.7	88%	0.883	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-98.6	116.7	165.4	-85.1	-176.9	168	-174.5	-5.3	109.5
28	S	31.1	Very low	42.8	Very low	122 Å²	122	164.4 Å²	164.4	85%	0.853	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-102.4	123.5	159	51	0	0	0	0	108.7
29	S	39.8	Very low	45.3	Very low	108 Å²	108	165.6 Å²	165.6	76%	0.755	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-88.7	127.7	177.2	52.9	0	0	0	0	111.4
30	N	35.9	Very low	48	Very low	166 Å²	166	163.1 Å²	163.1	89%	0.888	83%	0.833	S	S	*	*				-164.8	148.3	129.2	-96.9	-11.2	0	0	0	109.9
31	S	45.2	Very low	50.4	Low	104 Å²	104	158.3 Å²	158.3	73%	0.727	82%	0.821	S	S	*	*			trans	-104.3	124.3	-177.4	53.2	0	0	0	0	111
32	D	45.3	Very low	52.8	Low	160 Å²	160	151 Å²	151	86%	0.856	79%	0.794	S	S	*	*	S	Bend	trans	-159.2	158.7	132.7	-96.2	-30.5	0	0	0	108	E34	D32-E34 PolarHBondContact O-N 3.12Å
33	G	54.1	Low	55	Low	86 Å²	86	147.2 Å²	147.2	89%	0.887	78%	0.78	S	S	*	*			trans	-68.1	99	-158.4	0	0	0	0	0	116.4
34	E	52.4	Low	57.3	Low	181 Å²	181	143.9 Å²	143.9	85%	0.846	76%	0.764	S	S	*	*			trans	-121.4	147.4	156.1	-64.7	-174	157	0	0	108.3	D32 E36	D32-E34 PolarHBondContact O-N 3.12Å; E34-E36 PolarHBondContact O-N 2.71Å
35	D	56.1	Low	59.6	Low	153 Å²	153	136.9 Å²	136.9	82%	0.818	74%	0.74	S	S	*	*			trans	-55.4	135.4	-176.9	-69.8	-58	0	0	0	111.5	I37	D35-I37 VanDerWaalsContact C-N 3.3Å; D35-I37 PolarHBondContact O-N 2.62Å
36	E	61.7	Low	61.7	Low	197 Å²	197	137.6 Å²	137.6	92%	0.921	74%	0.736	S	S	*	*			trans	-69.5	85.6	174.4	-75.2	-167.6	156.6	0	0	110.4	E34 F38	E34-E36 PolarHBondContact O-N 2.71Å; E36-F38 PolarHBondContact O-N 2.75Å
37	I	74.8	Confident	64.1	Low	145 Å²	145	136.2 Å²	136.2	74%	0.744	72%	0.717	S	S	*	*			trans	-68.1	101.3	178.3	-58.7	175	0	0	0	109.6	D35 V39	D35-I37 VanDerWaalsContact C-N 3.3Å; D35-I37 PolarHBondContact O-N 2.62Å; I37-V39 HydrophobicContact CG2-CG2 3.96Å; I37-V39 PolarHBondContact O-N 3.44Å
38	F	81.4	Confident	66.4	Low	180 Å²	180	130.4 Å²	130.4	79%	0.789	70%	0.703	S	S	*	*			trans	-81.9	108.8	169.3	-180	-101.6	0	0	0	110.8	E36 F40	E36-F38 PolarHBondContact O-N 2.75Å; F38-F40 HydrophobicContact CE1-CB 3.96Å
39	V	80	Confident	68.9	Low	104 Å²	104	130.1 Å²	130.1	63%	0.63	69%	0.687	S	S	*	*			trans	-93.2	121.6	173.1	-175	0	0	0	0	109.7	I37 E41	I37-V39 HydrophobicContact CG2-CG2 3.96Å; I37-V39 PolarHBondContact O-N 3.44Å; V39-E41 HydrophobicContact CG1-CG 4.36Å
40	F	86.1	Confident	71.1	Confident	157 Å²	157	127.7 Å²	127.7	69%	0.689	66%	0.664	S	S	*	*			trans	-98.3	118.3	174.2	171.6	-110.7	0	0	0	110.9	F38 A42	F38-F40 HydrophobicContact CE1-CB 3.96Å; F40-A42 HydrophobicContact CE1-CB 3.74Å; F40-A42 HydrophobicContact CZ-CB 4.05Å
41	E	82.1	Confident	73.4	Confident	141 Å²	141	123.4 Å²	123.4	66%	0.659	65%	0.647	S	S	*	*			trans	-104.4	107.9	176.9	-66.6	-175.1	164.2	0	0	111.4	V39 N43	V39-E41 HydrophobicContact CG1-CG 4.36Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 2.96Å
42	A	82.3	Confident	75.5	Confident	42 Å²	42	121.2 Å²	121.2	35%	0.347	63%	0.632	S	S	.	*			trans	-81.8	68.8	-179.4	0	0	0	0	0	112.2	F40 E44 A45	F40-A42 HydrophobicContact CE1-CB 3.74Å; F40-A42 HydrophobicContact CZ-CB 4.05Å; A42-E44 PolarHBondContact O-N 3.45Å; A42-A45 HydrophobicContact CB-CB 3.87Å; A42-A45 WeakPolarHBondContact O-CB 3.38Å; A42-A45 PolarHBondContact O-N 3.44Å
43	N	77.1	Confident	77.6	Confident	111 Å²	111	115 Å²	115	59%	0.594	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-27.3	-172.9	-71.7	-38.2	0	0	0	115.5	E41	E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 2.96Å
44	E	82.4	Confident	79.2	Confident	118 Å²	118	113.1 Å²	113.1	55%	0.551	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-22.9	177.9	-66.3	-66.4	128.1	0	0	113.6	A42 W46 K47	A42-E44 PolarHBondContact O-N 3.45Å; E44-W46 PolarHBondContact O-N 3.45Å; E44-W46 VanDerWaalsContact O-N 3.12Å; E44-K47 WeakPolarHBondContact O-CB 3.39Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 IonicContact OE1-NZ 3.79Å; E44-K47 PolarHBondContact OE1-NZ 3.41Å; E44-K47 WeakPolarHBondContact OE2-CD 3.25Å; E44-K47 WeakPolarHBondContact OE2-CE 3.45Å; E44-K47 IonicContact OE2-NZ 2.94Å; E44-K47 PolarHBondContact OE2-NZ 3.23Å
45	A	82.4	Confident	81	Confident	50 Å²	50	109.7 Å²	109.7	41%	0.413	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-26.6	-175	0	0	0	0	0	113.1	A42 K47 D48 F49	A42-A45 HydrophobicContact CB-CB 3.87Å; A42-A45 WeakPolarHBondContact O-CB 3.38Å; A42-A45 PolarHBondContact O-N 3.44Å; A45-K47 VanDerWaalsContact C-N 3.25Å; A45-K47 PolarHBondContact O-N 3.41Å; A45-D48 PolarHBondContact O-N 2.87Å; A45-F49 WeakPolarHBondContact O-CB 3.17Å; A45-F49 PolarHBondContact O-N 2.71Å
46	W	79.4	Confident	82.7	Confident	185 Å²	185	105.5 Å²	105.5	70%	0.701	53%	0.526	S	S	*	.	H	α-helix	trans	-62	-30	173.9	-60.2	110.3	0	0	0	113.2	E44 H50	E44-W46 PolarHBondContact O-N 3.45Å; E44-W46 VanDerWaalsContact O-N 3.12Å; W46-H50 WeakPolarHBondContact O-CB 3.26Å; W46-H50 PolarHBondContact O-N 2.84Å
47	K	81.3	Confident	84.1	Confident	116 Å²	116	97.6 Å²	97.6	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-74.1	-43.2	178.6	-61.2	179.3	-167.4	161.8	0	111.5	E44 A45 F49 H50 S51	E44-K47 WeakPolarHBondContact O-CB 3.39Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 IonicContact OE1-NZ 3.79Å; E44-K47 PolarHBondContact OE1-NZ 3.41Å; E44-K47 WeakPolarHBondContact OE2-CD 3.25Å; E44-K47 WeakPolarHBondContact OE2-CE 3.45Å; E44-K47 IonicContact OE2-NZ 2.94Å; E44-K47 PolarHBondContact OE2-NZ 3.23Å; A45-K47 VanDerWaalsContact C-N 3.25Å; A45-K47 PolarHBondContact O-N 3.41Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-H50 PolarHBondContact O-N 3.26Å; K47-S51 WeakPolarHBondContact O-CB 3.38Å; K47-S51 PolarHBondContact O-N 2.86Å; K47-S51 PolarHBondContact O-OG 3.28Å
48	D	82.9	Confident	84.8	Confident	112 Å²	112	97.3 Å²	97.3	60%	0.599	48%	0.484	S	S	*	.	H	α-helix	trans	-64.8	-39.6	176	-63.3	-25.6	0	0	0	110.6	A45 S51 S52	A45-D48 PolarHBondContact O-N 2.87Å; D48-S51 PolarHBondContact O-N 3.27Å; D48-S52 WeakPolarHBondContact O-CB 3.43Å; D48-S52 PolarHBondContact O-N 3.48Å; D48-S52 PolarHBondContact O-OG 2.94Å
49	F	85.1	Confident	85.2	Confident	116 Å²	116	91.3 Å²	91.3	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-50.1	173	179.2	-104.8	0	0	0	112.7	A45 K47 S51 S52 L53	A45-F49 WeakPolarHBondContact O-CB 3.17Å; A45-F49 PolarHBondContact O-N 2.71Å; K47-F49 VanDerWaalsContact C-N 3.31Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 3.4Å; F49-S52 PolarHBondContact O-N 3.25Å; F49-L53 HydrophobicContact CD1-CD1 4.05Å; F49-L53 HydrophobicContact CE1-CD1 3.46Å; F49-L53 VanDerWaalsContact CE1-CD1 3.46Å; F49-L53 HydrophobicContact CE1-CG 4.21Å; F49-L53 HydrophobicContact CE2-CD1 4.48Å; F49-L53 HydrophobicContact CE2-CG 4.45Å; F49-L53 HydrophobicContact CZ-CD1 3.72Å; F49-L53 HydrophobicContact CZ-CD2 4.36Å; F49-L53 HydrophobicContact CZ-CG 4.15Å; F49-L53 PolarHBondContact O-N 3.38Å
50	H	84.3	Confident	85.6	Confident	57 Å²	57	88.5 Å²	88.5	26%	0.264	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-39.1	179.2	-149	77.2	0	0	0	111.6	W46 K47 S52 L53 L54 Y122 S124	W46-H50 WeakPolarHBondContact O-CB 3.26Å; W46-H50 PolarHBondContact O-N 2.84Å; K47-H50 PolarHBondContact O-N 3.26Å; H50-S52 VanDerWaalsContact C-N 3.33Å; H50-S52 PolarHBondContact O-N 3.4Å; H50-L53 PolarHBondContact O-N 3.19Å; H50-L54 PolarHBondContact O-N 3.38Å; H50-Y122 PolarHBondContact CD2-O 3.19Å; H50-Y122 PolarHBondContact NE2-O 2.67Å; H50-S124 PolarHBondContact CE1-OG 2.86Å; H50-S124 PolarHBondContact NE2-N 3.32Å; H50-S124 PolarHBondContact NE2-OG 2.87Å
51	S	85.8	Confident	85.7	Confident	77 Å²	77	85.8 Å²	85.8	54%	0.538	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-37.9	175.5	-54.5	0	0	0	0	112.3	K47 D48 F49 H55	K47-S51 WeakPolarHBondContact O-CB 3.38Å; K47-S51 PolarHBondContact O-N 2.86Å; K47-S51 PolarHBondContact O-OG 3.28Å; D48-S51 PolarHBondContact O-N 3.27Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 3.4Å; S51-H55 PolarHBondContact O-N 3.32Å; S51-H55 VanDerWaalsContact O-N 3.13Å
52	S	88.8	Confident	86	Confident	58 Å²	58	85.6 Å²	85.6	41%	0.406	45%	0.452	S	S	.	.	H	α-helix	trans	-68.1	-41.2	175.8	-55.9	0	0	0	0	112	D48 F49 H50 H55 F56	D48-S52 WeakPolarHBondContact O-CB 3.43Å; D48-S52 PolarHBondContact O-N 3.48Å; D48-S52 PolarHBondContact O-OG 2.94Å; F49-S52 PolarHBondContact O-N 3.25Å; H50-S52 VanDerWaalsContact C-N 3.33Å; H50-S52 PolarHBondContact O-N 3.4Å; S52-H55 PolarHBondContact O-N 3.41Å; S52-F56 VanDerWaalsContact O-CD2 3.31Å; S52-F56 WeakPolarHBondContact O-CD2 3.47Å; S52-F56 WeakPolarHBondContact O-CG 3.26Å; S52-F56 PolarHBondContact O-N 2.95Å
53	L	89.1	Confident	86.3	Confident	30 Å²	30	85.4 Å²	85.4	16%	0.157	45%	0.448	C	S	.	.	H	α-helix	trans	-62.3	-41.5	175.3	-73.1	-179.3	0	0	0	112.5	F49 H50 H55 F56 F57 V80 Y122	F49-L53 HydrophobicContact CD1-CD1 4.05Å; F49-L53 HydrophobicContact CE1-CD1 3.46Å; F49-L53 VanDerWaalsContact CE1-CD1 3.46Å; F49-L53 HydrophobicContact CE1-CG 4.21Å; F49-L53 HydrophobicContact CE2-CD1 4.48Å; F49-L53 HydrophobicContact CE2-CG 4.45Å; F49-L53 HydrophobicContact CZ-CD1 3.72Å; F49-L53 HydrophobicContact CZ-CD2 4.36Å; F49-L53 HydrophobicContact CZ-CG 4.15Å; F49-L53 PolarHBondContact O-N 3.38Å; H50-L53 PolarHBondContact O-N 3.19Å; L53-H55 VanDerWaalsContact C-N 3.34Å; L53-F56 PolarHBondContact O-N 3.24Å; L53-F57 PolarHBondContact O-N 2.96Å; L53-F57 VanDerWaalsContact O-N 3.12Å; L53-V80 HydrophobicContact CD1-CG2 4.12Å; L53-V80 HydrophobicContact CD2-CG2 4.14Å; L53-Y122 HydrophobicContact CB-CD1 4.17Å; L53-Y122 WeakPolarHBondContact O-CD1 3.33Å
54	L	88.4	Confident	87	Confident	46 Å²	46	83.8 Å²	83.8	24%	0.241	44%	0.439	C	S	.	.	H	α-helix	trans	-61.7	-43.3	175.1	-177.7	61.5	0	0	0	111.3	H50 F56 F57 E58	H50-L54 PolarHBondContact O-N 3.38Å; L54-F56 PolarHBondContact O-N 3.37Å; L54-F57 PolarHBondContact O-N 2.84Å; L54-E58 HydrophobicContact CD1-CG 4.37Å; L54-E58 WeakPolarHBondContact O-CG 3.31Å; L54-E58 PolarHBondContact O-N 3.46Å
55	H	89.9	Confident	87.4	Confident	108 Å²	108	78.2 Å²	78.2	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-44.6	177.3	-175.9	52.2	0	0	0	112.8	S51 S52 L53 F57 E58 A59	S51-H55 PolarHBondContact O-N 3.32Å; S51-H55 VanDerWaalsContact O-N 3.13Å; S52-H55 PolarHBondContact O-N 3.41Å; L53-H55 VanDerWaalsContact C-N 3.34Å; H55-F57 VanDerWaalsContact C-N 3.31Å; H55-F57 PolarHBondContact O-N 2.96Å; H55-E58 PolarHBondContact O-N 3.09Å; H55-A59 VanDerWaalsContact O-CB 3.32Å; H55-A59 WeakPolarHBondContact O-CB 3.29Å; H55-A59 PolarHBondContact O-N 2.94Å
56	F	91	Very high	87.9	Confident	66 Å²	66	77.5 Å²	77.5	29%	0.289	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-37.8	176.5	-62.8	-38.2	0	0	0	112.4	S52 L53 L54 G60 E61	S52-F56 VanDerWaalsContact O-CD2 3.31Å; S52-F56 WeakPolarHBondContact O-CD2 3.47Å; S52-F56 WeakPolarHBondContact O-CG 3.26Å; S52-F56 PolarHBondContact O-N 2.95Å; L53-F56 PolarHBondContact O-N 3.24Å; L54-F56 PolarHBondContact O-N 3.37Å; F56-G60 PolarHBondContact O-N 3.38Å; F56-E61 HydrophobicContact CB-CB 4.5Å; F56-E61 HydrophobicContact CD1-CB 4.26Å; F56-E61 PolarHBondContact O-N 3.3Å
57	F	91.3	Very high	88.5	Confident	30 Å²	30	68.7 Å²	68.7	13%	0.132	37%	0.37	C	S	.	.	H	α-helix	trans	-64.8	-47.7	173.9	172.6	-108.4	0	0	0	112.3	L53 L54 H55 A59 G60 I74 S75 C76 V118 K119 Y122	L53-F57 PolarHBondContact O-N 2.96Å; L53-F57 VanDerWaalsContact O-N 3.12Å; L54-F57 PolarHBondContact O-N 2.84Å; H55-F57 VanDerWaalsContact C-N 3.31Å; H55-F57 PolarHBondContact O-N 2.96Å; F57-A59 VanDerWaalsContact C-N 3.34Å; F57-A59 PolarHBondContact O-N 2.93Å; F57-G60 PolarHBondContact O-N 3.43Å; F57-I74 HydrophobicContact CE2-CG2 4.17Å; F57-I74 HydrophobicContact CZ-CG2 4.35Å; F57-S75 WeakPolarHBondContact CD2-O 3.43Å; F57-S75 VanDerWaalsContact CE2-O 3.27Å; F57-S75 WeakPolarHBondContact CE2-O 3.39Å; F57-C76 HydrophobicContact CD2-CB 4.26Å; F57-C76 HydrophobicContact CE2-CB 4.14Å; F57-V118 HydrophobicContact CD2-CG1 4.5Å; F57-V118 HydrophobicContact CE2-CG1 3.62Å; F57-V118 HydrophobicContact CZ-CG1 3.72Å; F57-K119 HydrophobicContact CE1-CG 4.03Å; F57-Y122 HydrophobicContact CB-CD1 3.74Å; F57-Y122 HydrophobicContact CB-CD2 3.95Å; F57-Y122 HydrophobicContact CB-CE1 3.81Å; F57-Y122 HydrophobicContact CB-CE2 4.04Å; F57-Y122 HydrophobicContact CB-CG 3.83Å; F57-Y122 AromaticContact CD1-CD2 3.83Å; F57-Y122 HydrophobicContact CD1-CD2 3.83Å; F57-Y122 HydrophobicContact CD1-CE2 4.36Å; F57-Y122 HydrophobicContact CD1-CG 4.15Å; F57-Y122 AromaticContact CD2-CD2 3.78Å; F57-Y122 HydrophobicContact CD2-CD2 3.78Å; F57-Y122 AromaticContact CD2-CE2 3.45Å; F57-Y122 HydrophobicContact CD2-CE2 3.45Å; F57-Y122 VanDerWaalsContact CD2-CE2 3.45Å; F57-Y122 AromaticContact CD2-CZ 3.93Å; F57-Y122 HydrophobicContact CE1-CD2 4.28Å; F57-Y122 HydrophobicContact CE2-CD2 4.23Å; F57-Y122 AromaticContact CE2-CE2 3.96Å; F57-Y122 HydrophobicContact CE2-CE2 3.96Å; F57-Y122 HydrophobicContact CG-CD1 4.29Å; F57-Y122 AromaticContact CG-CD2 3.56Å; F57-Y122 HydrophobicContact CG-CD2 3.56Å; F57-Y122 HydrophobicContact CG-CE1 4.37Å; F57-Y122 AromaticContact CG-CE2 3.68Å; F57-Y122 HydrophobicContact CG-CE2 3.68Å; F57-Y122 AromaticContact CG-CG 3.91Å; F57-Y122 HydrophobicContact CG-CG 3.91Å; F57-Y122 HydrophobicContact CZ-CD2 4.46Å
58	E	89.5	Confident	89	Confident	139 Å²	139	66.6 Å²	66.6	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-64.5	-35.1	178.7	-71.5	178.5	166.5	0	0	113.1	L54 H55	L54-E58 HydrophobicContact CD1-CG 4.37Å; L54-E58 WeakPolarHBondContact O-CG 3.31Å; L54-E58 PolarHBondContact O-N 3.46Å; H55-E58 PolarHBondContact O-N 3.09Å
59	A	89.7	Confident	89.3	Confident	55 Å²	55	61.4 Å²	61.4	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-81.3	-12.6	176.8	0	0	0	0	0	113.7	H55 F57 E61	H55-A59 VanDerWaalsContact O-CB 3.32Å; H55-A59 WeakPolarHBondContact O-CB 3.29Å; H55-A59 PolarHBondContact O-N 2.94Å; F57-A59 VanDerWaalsContact C-N 3.34Å; F57-A59 PolarHBondContact O-N 2.93Å; A59-E61 HydrophobicContact CB-CG 3.9Å; A59-E61 PolarHBondContact O-N 3.37Å
60	G	88.4	Confident	89.4	Confident	45 Å²	45	58.8 Å²	58.8	46%	0.464	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.3	-173.2	0	0	0	0	0	114.1	F56 F57	F56-G60 PolarHBondContact O-N 3.38Å; F57-G60 PolarHBondContact O-N 3.43Å
61	E	89.1	Confident	89.5	Confident	99 Å²	99	62 Å²	62	46%	0.463	37%	0.368	S	S	.	.			trans	-77.6	148.3	178.5	-66.9	-172	165.6	0	0	110.7	F56 A59 C63 H77	F56-E61 HydrophobicContact CB-CB 4.5Å; F56-E61 HydrophobicContact CD1-CB 4.26Å; F56-E61 PolarHBondContact O-N 3.3Å; A59-E61 HydrophobicContact CB-CG 3.9Å; A59-E61 PolarHBondContact O-N 3.37Å; E61-C63 PolarHBondContact O-N 2.9Å; E61-C63 PolarHBondContact O-SG 3.34Å; E61-C63 VanDerWaalsContact O-SG 3.41Å; E61-H77 PolarHBondContact O-CE1 3.26Å; E61-H77 VanDerWaalsContact O-CE1 3.28Å; E61-H77 PolarHBondContact O-NE2 3.4Å; E61-H77 VanDerWaalsContact O-NE2 3.08Å
62	L	87.6	Confident	89.7	Confident	137 Å²	137	60.5 Å²	60.5	72%	0.717	35%	0.352	S	S	*	.	S	Bend	trans	54.3	10.3	173.4	-57	176.7	0	0	0	117.1	D64 H77	L62-D64 PolarHBondContact O-N 2.99Å; L62-H77 PolarHBondContact O-CD2 3.37Å
63	C	89.1	Confident	89.9	Confident	38 Å²	38	63.4 Å²	63.4	26%	0.257	36%	0.362	S	S	.	.			trans	-65.4	126.6	178.8	-66.7	0	0	0	0	111.8	E61 C76 H77	E61-C63 PolarHBondContact O-N 2.9Å; E61-C63 PolarHBondContact O-SG 3.34Å; E61-C63 VanDerWaalsContact O-SG 3.41Å; C63-C76 WeakPolarHBondContact CA-O 3.2Å; C63-C76 WeakPolarHBondContact CB-O 3.41Å; C63-H77 VanDerWaalsContact SG-CE1 3.55Å
64	D	90.8	Very high	90.1	Very high	77 Å²	77	62.5 Å²	62.5	41%	0.412	36%	0.357	S	S	.	.			trans	-111.4	0.9	-175.5	67.7	-17.9	0	0	0	113.4	L62 C76 H77 K78	L62-D64 PolarHBondContact O-N 2.99Å; D64-C76 PolarHBondContact N-O 3.37Å; D64-H77 VanDerWaalsContact OD1-CA 3.25Å; D64-H77 WeakPolarHBondContact OD1-CA 3.29Å; D64-K78 PolarHBondContact OD1-N 3.12Å; D64-K78 WeakPolarHBondContact OD2-CB 3.29Å
65	I	91.6	Very high	90.3	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148	174.9	-175.7	170	0	0	0	111.5	L67 S75 C76 K78 F92 T102 I104	I65-L67 HydrophobicContact CD1-CD2 3.86Å; I65-L67 HydrophobicContact CG1-CD2 4.24Å; I65-S75 WeakPolarHBondContact O-CA 3.48Å; I65-C76 WeakPolarHBondContact CG2-O 3.38Å; I65-C76 PolarHBondContact N-O 3.24Å; I65-C76 PolarHBondContact O-N 3.43Å; I65-C76 VanDerWaalsContact O-O 3.1Å; I65-K78 HydrophobicContact CB-CD 4.46Å; I65-K78 HydrophobicContact CB-CG 3.78Å; I65-K78 HydrophobicContact CD1-CG 4.26Å; I65-K78 HydrophobicContact CG2-CB 4.5Å; I65-K78 HydrophobicContact CG2-CG 3.61Å; I65-F92 HydrophobicContact CD1-CE1 3.61Å; I65-F92 HydrophobicContact CD1-CZ 3.55Å; I65-T102 CarbonylContact C-O 3.57Å; I65-T102 WeakPolarHBondContact CA-O 3.28Å; I65-I104 HydrophobicContact CD1-CD1 3.62Å; I65-I104 HydrophobicContact CD1-CG1 3.93Å
66	T	92.4	Very high	90.5	Very high	35 Å²	35	57.7 Å²	57.7	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	166	-55	0	0	0	0	109.5	L73 I74 S75 T102 L103 I104	T66-L73 HydrophobicContact CG2-CB 4.11Å; T66-L73 HydrophobicContact CG2-CD2 4.13Å; T66-I74 CarbonylContact C-O 3.59Å; T66-I74 WeakPolarHBondContact CA-O 3.49Å; T66-S75 PolarHBondContact OG1-OG 3.29Å; T66-T102 PolarHBondContact N-O 3.34Å; T66-L103 HydrophobicContact CG2-CD1 3.9Å; T66-L103 WeakPolarHBondContact O-CA 3.46Å; T66-I104 PolarHBondContact O-N 3.36Å
67	L	91.8	Very high	90.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.9	171.4	-56.7	-179.6	0	0	0	109.3	I65 L73 I74 L81 F88 I104 I106 V118	I65-L67 HydrophobicContact CD1-CD2 3.86Å; I65-L67 HydrophobicContact CG1-CD2 4.24Å; L67-L73 CarbonylContact O-C 3.59Å; L67-L73 WeakPolarHBondContact O-CA 3.39Å; L67-I74 HydrophobicContact CB-CB 4.44Å; L67-I74 PolarHBondContact N-O 3.42Å; L67-I74 PolarHBondContact O-N 3.03Å; L67-L81 HydrophobicContact CD1-CD1 4Å; L67-F88 HydrophobicContact CD1-CE1 4.3Å; L67-F88 HydrophobicContact CD1-CE2 4.14Å; L67-F88 HydrophobicContact CD1-CZ 3.7Å; L67-F88 HydrophobicContact CD2-CE1 4.12Å; L67-F88 HydrophobicContact CD2-CZ 4.35Å; L67-I104 HydrophobicContact CD2-CB 4.2Å; L67-I106 HydrophobicContact CD1-CD1 4.23Å; L67-I106 HydrophobicContact CD2-CD1 4.28Å; L67-V118 HydrophobicContact CD1-CG2 4.14Å
68	K	91.9	Very high	90.5	Very high	72 Å²	72	56 Å²	56	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.7	172.9	-176.9	-170.5	173.3	-154.2	0	109.2	K72 L73 L103 I104 E105 I106	K68-K72 WeakPolarHBondContact CA-O 3.47Å; K68-L73 HydrophobicContact CB-CD2 3.75Å; K68-L73 HydrophobicContact CD-CD2 4.44Å; K68-L73 HydrophobicContact CG-CD2 3.8Å; K68-L103 HydrophobicContact CB-CD1 4.15Å; K68-I104 PolarHBondContact N-O 2.88Å; K68-E105 HydrophobicContact CD-CG 4.27Å; K68-E105 WeakPolarHBondContact CE-OE1 3.43Å; K68-E105 IonicContact NZ-OE1 2.67Å; K68-E105 PolarHBondContact NZ-OE1 3.09Å; K68-E105 WeakPolarHBondContact O-CA 3.43Å; K68-I106 PolarHBondContact O-N 2.82Å
69	V	90.7	Very high	90.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	108	178.5	-169.5	0	0	0	0	108.2	S71 K72 I106 F109 I114	V69-S71 PolarHBondContact O-N 2.63Å; V69-S71 VanDerWaalsContact O-N 3.09Å; V69-K72 PolarHBondContact N-O 2.99Å; V69-K72 PolarHBondContact O-N 2.95Å; V69-I106 HydrophobicContact CG2-CB 4.21Å; V69-I106 HydrophobicContact CG2-CD1 4.32Å; V69-I106 HydrophobicContact CG2-CG1 4.35Å; V69-F109 HydrophobicContact CG1-CB 4.17Å; V69-I114 HydrophobicContact CG1-CG1 4.13Å; V69-I114 HydrophobicContact CG2-CB 4.1Å; V69-I114 HydrophobicContact CG2-CG1 4.19Å; V69-I114 HydrophobicContact CG2-CG2 3.89Å
70	G	86.4	Confident	90.6	Very high	62 Å²	62	53.9 Å²	53.9	64%	0.639	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-113.9	-170.8	0	0	0	0	0	112
71	S	86.9	Confident	90.7	Very high	123 Å²	123	51.7 Å²	51.7	86%	0.86	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.3	176.7	55.8	0	0	0	0	114.6	V69	V69-S71 PolarHBondContact O-N 2.63Å; V69-S71 VanDerWaalsContact O-N 3.09Å
72	K	90.1	Very high	90.8	Very high	46 Å²	46	47.9 Å²	47.9	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146	-177.2	-67.2	-166.6	179.9	-173.8	0	112.3	K68 V69 D112 E115	K68-K72 WeakPolarHBondContact CA-O 3.47Å; V69-K72 PolarHBondContact N-O 2.99Å; V69-K72 PolarHBondContact O-N 2.95Å; K72-D112 IonicContact NZ-OD1 3.55Å; K72-D112 PolarHBondContact NZ-OD1 3.32Å; K72-D112 IonicContact NZ-OD2 2.66Å; K72-D112 PolarHBondContact NZ-OD2 3.1Å; K72-E115 WeakPolarHBondContact CD-OE2 3.34Å; K72-E115 WeakPolarHBondContact CE-OE2 3.37Å; K72-E115 IonicContact NZ-OE2 2.63Å; K72-E115 PolarHBondContact NZ-OE2 2.82Å
73	L	92.3	Very high	91	Very high	119 Å²	119	46.1 Å²	46.1	62%	0.623	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.9	173	-68.7	171.1	0	0	0	108.4	T66 L67 K68 L103	T66-L73 HydrophobicContact CG2-CB 4.11Å; T66-L73 HydrophobicContact CG2-CD2 4.13Å; L67-L73 CarbonylContact O-C 3.59Å; L67-L73 WeakPolarHBondContact O-CA 3.39Å; K68-L73 HydrophobicContact CB-CD2 3.75Å; K68-L73 HydrophobicContact CD-CD2 4.44Å; K68-L73 HydrophobicContact CG-CD2 3.8Å; L73-L103 HydrophobicContact CD2-CD1 4.01Å
74	I	92.8	Very high	91	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.056	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	101.5	-173.9	-55	162.8	0	0	0	108.3	F57 T66 L67 C76 I114 E115 V118	F57-I74 HydrophobicContact CE2-CG2 4.17Å; F57-I74 HydrophobicContact CZ-CG2 4.35Å; T66-I74 CarbonylContact C-O 3.59Å; T66-I74 WeakPolarHBondContact CA-O 3.49Å; L67-I74 HydrophobicContact CB-CB 4.44Å; L67-I74 PolarHBondContact N-O 3.42Å; L67-I74 PolarHBondContact O-N 3.03Å; I74-C76 PolarHBondContact O-SG 2.87Å; I74-I114 HydrophobicContact CD1-CG2 4.2Å; I74-E115 HydrophobicContact CD1-CB 3.89Å; I74-E115 HydrophobicContact CD1-CG 4.19Å; I74-E115 HydrophobicContact CG1-CG 4.4Å; I74-V118 HydrophobicContact CG2-CB 4.35Å; I74-V118 HydrophobicContact CG2-CG1 3.97Å; I74-V118 HydrophobicContact CG2-CG2 4.38Å
75	S	92.9	Very high	91.1	Very high	54 Å²	54	43.2 Å²	43.2	38%	0.378	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.2	173.7	-65.7	0	0	0	0	110.3	F57 I65 T66	F57-S75 WeakPolarHBondContact CD2-O 3.43Å; F57-S75 VanDerWaalsContact CE2-O 3.27Å; F57-S75 WeakPolarHBondContact CE2-O 3.39Å; I65-S75 WeakPolarHBondContact O-CA 3.48Å; T66-S75 PolarHBondContact OG1-OG 3.29Å
76	C	93.7	Very high	91.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-173.8	-171.8	49.1	0	0	0	0	111.4	F57 C63 D64 I65 I74 L81 V118 Y122	F57-C76 HydrophobicContact CD2-CB 4.26Å; F57-C76 HydrophobicContact CE2-CB 4.14Å; C63-C76 WeakPolarHBondContact CA-O 3.2Å; C63-C76 WeakPolarHBondContact CB-O 3.41Å; D64-C76 PolarHBondContact N-O 3.37Å; I65-C76 WeakPolarHBondContact CG2-O 3.38Å; I65-C76 PolarHBondContact N-O 3.24Å; I65-C76 PolarHBondContact O-N 3.43Å; I65-C76 VanDerWaalsContact O-O 3.1Å; I74-C76 PolarHBondContact O-SG 2.87Å; C76-L81 HydrophobicContact CB-CD1 4.43Å; C76-V118 HydrophobicContact CB-CG1 4.19Å; C76-Y122 HydrophobicContact CB-CE2 4.33Å
77	H	93.3	Very high	91.1	Very high	22 Å²	22	48 Å²	48	10%	0.102	28%	0.284	C	S	.	.			trans	-115.8	122.8	-172.9	-56.3	78.8	0	0	0	111.3	E61 L62 C63 D64 L79 V80 L81 Y122	E61-H77 PolarHBondContact O-CE1 3.26Å; E61-H77 VanDerWaalsContact O-CE1 3.28Å; E61-H77 PolarHBondContact O-NE2 3.4Å; E61-H77 VanDerWaalsContact O-NE2 3.08Å; L62-H77 PolarHBondContact O-CD2 3.37Å; C63-H77 VanDerWaalsContact SG-CE1 3.55Å; D64-H77 VanDerWaalsContact OD1-CA 3.25Å; D64-H77 WeakPolarHBondContact OD1-CA 3.29Å; H77-L79 VanDerWaalsContact C-N 3.28Å; H77-L79 PolarHBondContact O-N 3.18Å; H77-V80 HydrophobicContact CB-CB 4.39Å; H77-V80 HydrophobicContact CB-CG2 4.09Å; H77-V80 PolarHBondContact O-N 3.33Å; H77-L81 PolarHBondContact O-N 3.48Å; H77-Y122 VanDerWaalsContact CB-OH 3.24Å; H77-Y122 WeakPolarHBondContact CB-OH 3.29Å; H77-Y122 PolarHBondContact N-OH 3.06Å; H77-Y122 AromaticContact ND1-CE1 3.82Å; H77-Y122 AromaticContact ND1-CZ 3.72Å; H77-Y122 PolarHBondContact ND1-OH 3.45Å
78	K	90.2	Very high	91.1	Very high	39 Å²	39	48 Å²	48	17%	0.17	28%	0.284	C	S	.	.	H	α-helix	trans	-54.4	-42.5	-178.7	-71.2	-175.8	178.8	-171.8	0	112.3	D64 I65 A82 F92 A99 Q101	D64-K78 PolarHBondContact OD1-N 3.12Å; D64-K78 WeakPolarHBondContact OD2-CB 3.29Å; I65-K78 HydrophobicContact CB-CD 4.46Å; I65-K78 HydrophobicContact CB-CG 3.78Å; I65-K78 HydrophobicContact CD1-CG 4.26Å; I65-K78 HydrophobicContact CG2-CB 4.5Å; I65-K78 HydrophobicContact CG2-CG 3.61Å; K78-A82 VanDerWaalsContact O-CB 3.27Å; K78-A82 WeakPolarHBondContact O-CB 3.32Å; K78-A82 PolarHBondContact O-N 3.31Å; K78-F92 HydrophobicContact CB-CD2 3.76Å; K78-F92 HydrophobicContact CB-CE2 3.8Å; K78-F92 HydrophobicContact CB-CG 4.44Å; K78-F92 HydrophobicContact CB-CZ 4.5Å; K78-F92 HydrophobicContact CG-CD2 4.11Å; K78-F92 HydrophobicContact CG-CE1 4.47Å; K78-F92 HydrophobicContact CG-CE2 3.93Å; K78-F92 HydrophobicContact CG-CG 4.48Å; K78-F92 HydrophobicContact CG-CZ 4.14Å; K78-F92 WeakPolarHBondContact O-CD2 3.21Å; K78-F92 WeakPolarHBondContact O-CE2 3.43Å; K78-A99 PolarHBondContact NZ-O 3.38Å; K78-Q101 PolarHBondContact NZ-O 2.95Å
79	L	89.5	Confident	91	Very high	132 Å²	132	51.7 Å²	51.7	69%	0.691	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-45.8	-178.6	-176.1	63.1	0	0	0	112.3	H77 A82 C83	H77-L79 VanDerWaalsContact C-N 3.28Å; H77-L79 PolarHBondContact O-N 3.18Å; L79-A82 PolarHBondContact O-N 2.67Å; L79-C83 PolarHBondContact O-N 3.3Å; L79-C83 PolarHBondContact O-SG 3.04Å
80	V	91.3	Very high	90.8	Very high	16 Å²	16	54.8 Å²	54.8	10%	0.097	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-43.9	-178.1	-178.6	0	0	0	0	110.6	L53 H77 A82 C83 V84 A121 Y122	L53-V80 HydrophobicContact CD1-CG2 4.12Å; L53-V80 HydrophobicContact CD2-CG2 4.14Å; H77-V80 HydrophobicContact CB-CB 4.39Å; H77-V80 HydrophobicContact CB-CG2 4.09Å; H77-V80 PolarHBondContact O-N 3.33Å; V80-A82 VanDerWaalsContact C-N 3.35Å; V80-A82 PolarHBondContact O-N 3.34Å; V80-C83 PolarHBondContact O-N 3.08Å; V80-V84 PolarHBondContact O-N 2.86Å; V80-A121 HydrophobicContact CG1-CB 4.45Å; V80-Y122 HydrophobicContact CB-CE1 3.88Å; V80-Y122 HydrophobicContact CG1-CD1 3.98Å; V80-Y122 HydrophobicContact CG1-CE1 3.67Å; V80-Y122 HydrophobicContact CG1-CE2 4.42Å; V80-Y122 HydrophobicContact CG1-CG 4.47Å; V80-Y122 HydrophobicContact CG2-CE1 3.82Å
81	L	91.7	Very high	90.9	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-41.3	174.2	-66.4	-176.4	0	0	0	112.1	L67 C76 H77 C83 V84 I85 F88 F92 V118 A121	L67-L81 HydrophobicContact CD1-CD1 4Å; C76-L81 HydrophobicContact CB-CD1 4.43Å; H77-L81 PolarHBondContact O-N 3.48Å; L81-C83 VanDerWaalsContact C-N 3.28Å; L81-C83 PolarHBondContact O-N 3.26Å; L81-V84 PolarHBondContact O-N 2.9Å; L81-I85 HydrophobicContact CD2-CD1 4.16Å; L81-I85 WeakPolarHBondContact O-CA 3.4Å; L81-I85 WeakPolarHBondContact O-CB 2.96Å; L81-I85 PolarHBondContact O-N 3.48Å; L81-F88 HydrophobicContact CB-CB 4.12Å; L81-F88 HydrophobicContact CB-CD2 4.03Å; L81-F88 HydrophobicContact CB-CG 4.32Å; L81-F88 HydrophobicContact CD1-CD2 4.12Å; L81-F88 HydrophobicContact CD1-CE2 4.35Å; L81-F88 HydrophobicContact CD1-CG 4.48Å; L81-F88 HydrophobicContact CD2-CD2 4.44Å; L81-F88 HydrophobicContact CG-CD2 4.44Å; L81-F92 HydrophobicContact CB-CE2 4.15Å; L81-V118 HydrophobicContact CD2-CG1 4.33Å; L81-V118 HydrophobicContact CD2-CG2 4.11Å; L81-A121 HydrophobicContact CD2-CB 4.46Å
82	A	91	Very high	91	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-24.1	175.9	0	0	0	0	0	113.9	K78 L79 V80 R89 F92	K78-A82 VanDerWaalsContact O-CB 3.27Å; K78-A82 WeakPolarHBondContact O-CB 3.32Å; K78-A82 PolarHBondContact O-N 3.31Å; L79-A82 PolarHBondContact O-N 2.67Å; V80-A82 VanDerWaalsContact C-N 3.35Å; V80-A82 PolarHBondContact O-N 3.34Å; A82-R89 HydrophobicContact CB-CB 4.14Å; A82-R89 HydrophobicContact CB-CG 4.26Å; A82-R89 VanDerWaalsContact O-CB 3.29Å; A82-R89 WeakPolarHBondContact O-CB 3.27Å; A82-R89 WeakPolarHBondContact O-CD 3.43Å; A82-R89 WeakPolarHBondContact O-CG 3.38Å; A82-F92 HydrophobicContact CB-CD2 4.2Å
83	C	90	Very high	90.7	Very high	101 Å²	101	52.9 Å²	52.9	68%	0.682	29%	0.287	S	S	*	.	H	α-helix	trans	-75.6	-37.4	174.2	-73.6	0	0	0	0	112.6	L79 V80 L81	L79-C83 PolarHBondContact O-N 3.3Å; L79-C83 PolarHBondContact O-SG 3.04Å; V80-C83 PolarHBondContact O-N 3.08Å; L81-C83 VanDerWaalsContact C-N 3.28Å; L81-C83 PolarHBondContact O-N 3.26Å
84	V	90.5	Very high	90.3	Very high	52 Å²	52	49.1 Å²	49.1	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-101.8	-33.2	-171.6	-176.7	0	0	0	0	113.6	V80 L81 F120 A121	V80-V84 PolarHBondContact O-N 2.86Å; L81-V84 PolarHBondContact O-N 2.9Å; V84-F120 HydrophobicContact CG1-CD1 4.34Å; V84-F120 HydrophobicContact CG1-CE1 4.16Å; V84-A121 HydrophobicContact CB-CB 3.85Å; V84-A121 HydrophobicContact CG1-CB 3.97Å; V84-A121 HydrophobicContact CG2-CB 3.96Å
85	I	93.1	Very high	89.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.31	C	S	.	.			trans	-116	105.9	-170.7	-55	-173.6	0	0	0	109.8	L81 Y87 F88 R89 L143 V145	L81-I85 HydrophobicContact CD2-CD1 4.16Å; L81-I85 WeakPolarHBondContact O-CA 3.4Å; L81-I85 WeakPolarHBondContact O-CB 2.96Å; L81-I85 PolarHBondContact O-N 3.48Å; I85-Y87 VanDerWaalsContact C-N 3.27Å; I85-Y87 PolarHBondContact O-N 3.33Å; I85-F88 HydrophobicContact CB-CD2 3.8Å; I85-F88 HydrophobicContact CD1-CD2 3.95Å; I85-F88 HydrophobicContact CD1-CE2 3.97Å; I85-F88 HydrophobicContact CG1-CD2 4.41Å; I85-F88 HydrophobicContact CG2-CD2 3.58Å; I85-F88 HydrophobicContact CG2-CE2 4.08Å; I85-F88 HydrophobicContact CG2-CG 4.38Å; I85-F88 PolarHBondContact O-N 2.94Å; I85-R89 PolarHBondContact O-N 3.28Å; I85-R89 VanDerWaalsContact O-N 3.1Å; I85-L143 HydrophobicContact CG2-CB 3.86Å; I85-L143 WeakPolarHBondContact CG2-O 3.49Å; I85-V145 HydrophobicContact CB-CG2 4.27Å; I85-V145 HydrophobicContact CD1-CG2 4.37Å; I85-V145 HydrophobicContact CG1-CG2 3.89Å; I85-V145 HydrophobicContact CG2-CG2 3.92Å
86	P	92.8	Very high	88.3	Confident	50 Å²	50	61 Å²	61	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-32.8	-174.7	-26.1	34.8	0	0	0	114.5	R89 A90 Q144	P86-R89 WeakPolarHBondContact O-CB 3.48Å; P86-R89 PolarHBondContact O-N 3.14Å; P86-A90 PolarHBondContact O-N 3.3Å; P86-Q144 HydrophobicContact CB-CB 4.08Å; P86-Q144 WeakPolarHBondContact CD-O 3.42Å; P86-Q144 HydrophobicContact CG-CB 4.03Å; P86-Q144 WeakPolarHBondContact CG-O 3.21Å
87	Y	90.8	Very high	87	Confident	87 Å²	87	64 Å²	64	34%	0.341	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-49.9	175.4	175.8	-93.8	0	0	0	112.5	I85 R89 A90 M91 L143	I85-Y87 VanDerWaalsContact C-N 3.27Å; I85-Y87 PolarHBondContact O-N 3.33Å; Y87-R89 VanDerWaalsContact C-N 3.33Å; Y87-R89 PolarHBondContact O-N 3.41Å; Y87-A90 PolarHBondContact O-N 3.24Å; Y87-M91 HydrophobicContact CD1-CE 4.49Å; Y87-M91 HydrophobicContact CE1-CE 3.48Å; Y87-M91 VanDerWaalsContact CE1-CE 3.48Å; Y87-M91 WeakPolarHBondContact O-CB 3.35Å; Y87-M91 PolarHBondContact O-N 3.42Å; Y87-M91 VanDerWaalsContact OH-CE 3.29Å; Y87-M91 WeakPolarHBondContact OH-CE 3.39Å; Y87-L143 HydrophobicContact CD1-CD2 3.39Å; Y87-L143 HydrophobicContact CD2-CD2 4.34Å; Y87-L143 HydrophobicContact CE1-CD2 4Å; Y87-L143 HydrophobicContact CG-CD2 3.59Å; Y87-L143 PolarHBondContact N-O 2.94Å
88	F	90.5	Very high	85.9	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	36%	0.359	C	S	.	.	H	α-helix	trans	-68.4	-34	177.3	-67.6	-52.2	0	0	0	112	L67 L81 I85 A90 M91 F92 I106	L67-F88 HydrophobicContact CD1-CE1 4.3Å; L67-F88 HydrophobicContact CD1-CE2 4.14Å; L67-F88 HydrophobicContact CD1-CZ 3.7Å; L67-F88 HydrophobicContact CD2-CE1 4.12Å; L67-F88 HydrophobicContact CD2-CZ 4.35Å; L81-F88 HydrophobicContact CB-CB 4.12Å; L81-F88 HydrophobicContact CB-CD2 4.03Å; L81-F88 HydrophobicContact CB-CG 4.32Å; L81-F88 HydrophobicContact CD1-CD2 4.12Å; L81-F88 HydrophobicContact CD1-CE2 4.35Å; L81-F88 HydrophobicContact CD1-CG 4.48Å; L81-F88 HydrophobicContact CD2-CD2 4.44Å; L81-F88 HydrophobicContact CG-CD2 4.44Å; I85-F88 HydrophobicContact CB-CD2 3.8Å; I85-F88 HydrophobicContact CD1-CD2 3.95Å; I85-F88 HydrophobicContact CD1-CE2 3.97Å; I85-F88 HydrophobicContact CG1-CD2 4.41Å; I85-F88 HydrophobicContact CG2-CD2 3.58Å; I85-F88 HydrophobicContact CG2-CE2 4.08Å; I85-F88 HydrophobicContact CG2-CG 4.38Å; I85-F88 PolarHBondContact O-N 2.94Å; F88-A90 PolarHBondContact O-N 2.84Å; F88-M91 HydrophobicContact CD1-SD 4.4Å; F88-M91 PolarHBondContact O-N 3.47Å; F88-F92 HydrophobicContact CB-CD2 4.34Å; F88-F92 HydrophobicContact CB-CE2 3.75Å; F88-F92 HydrophobicContact CB-CZ 3.89Å; F88-F92 HydrophobicContact CD1-CE1 4.42Å; F88-F92 AromaticContact CD1-CZ 3.98Å; F88-F92 HydrophobicContact CD1-CZ 3.98Å; F88-F92 HydrophobicContact CG-CE2 4.42Å; F88-F92 HydrophobicContact CG-CZ 4.16Å; F88-F92 WeakPolarHBondContact O-CB 3.44Å; F88-F92 WeakPolarHBondContact O-CD2 3.39Å; F88-F92 VanDerWaalsContact O-CG 3.22Å; F88-F92 WeakPolarHBondContact O-CG 3.39Å; F88-F92 PolarHBondContact O-N 3.49Å; F88-I106 HydrophobicContact CE1-CD1 3.79Å; F88-I106 HydrophobicContact CZ-CD1 3.55Å
89	R	89.8	Confident	84.9	Confident	150 Å²	150	65.8 Å²	65.8	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-57.3	-48.6	171.7	-169.4	-179	172.8	176.4	-1.9	111.8	A82 I85 P86 Y87 L93	A82-R89 HydrophobicContact CB-CB 4.14Å; A82-R89 HydrophobicContact CB-CG 4.26Å; A82-R89 VanDerWaalsContact O-CB 3.29Å; A82-R89 WeakPolarHBondContact O-CB 3.27Å; A82-R89 WeakPolarHBondContact O-CD 3.43Å; A82-R89 WeakPolarHBondContact O-CG 3.38Å; I85-R89 PolarHBondContact O-N 3.28Å; I85-R89 VanDerWaalsContact O-N 3.1Å; P86-R89 WeakPolarHBondContact O-CB 3.48Å; P86-R89 PolarHBondContact O-N 3.14Å; Y87-R89 VanDerWaalsContact C-N 3.33Å; Y87-R89 PolarHBondContact O-N 3.41Å; R89-L93 HydrophobicContact CG-CD1 3.87Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 VanDerWaalsContact O-CG 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.12Å; R89-L93 PolarHBondContact O-N 2.64Å; R89-L93 VanDerWaalsContact O-N 3.16Å
90	A	88.3	Confident	84.1	Confident	66 Å²	66	68 Å²	68	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-42.6	177.9	0	0	0	0	0	111.5	P86 Y87 F88 S94	P86-A90 PolarHBondContact O-N 3.3Å; Y87-A90 PolarHBondContact O-N 3.24Å; F88-A90 PolarHBondContact O-N 2.84Å; A90-S94 WeakPolarHBondContact O-CB 3.34Å; A90-S94 PolarHBondContact O-N 3.43Å; A90-S94 VanDerWaalsContact O-N 3.16Å
91	M	87.7	Confident	83.7	Confident	26 Å²	26	71.1 Å²	71.1	13%	0.128	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-52.8	177.5	-177.5	-178.1	-77.5	0	0	112.3	Y87 F88 L93 S94 E98 I104	Y87-M91 HydrophobicContact CD1-CE 4.49Å; Y87-M91 HydrophobicContact CE1-CE 3.48Å; Y87-M91 VanDerWaalsContact CE1-CE 3.48Å; Y87-M91 WeakPolarHBondContact O-CB 3.35Å; Y87-M91 PolarHBondContact O-N 3.42Å; Y87-M91 VanDerWaalsContact OH-CE 3.29Å; Y87-M91 WeakPolarHBondContact OH-CE 3.39Å; F88-M91 HydrophobicContact CD1-SD 4.4Å; F88-M91 PolarHBondContact O-N 3.47Å; M91-L93 VanDerWaalsContact C-N 3.34Å; M91-L93 PolarHBondContact O-N 2.96Å; M91-S94 WeakPolarHBondContact O-CB 3.47Å; M91-S94 PolarHBondContact O-N 3.18Å; M91-S94 PolarHBondContact O-OG 3.47Å; M91-E98 HydrophobicContact CG-CB 4.32Å; M91-E98 HydrophobicContact SD-CB 4.4Å; M91-I104 HydrophobicContact SD-CD1 3.6Å; M91-I104 HydrophobicContact SD-CG2 4.27Å
92	F	88	Confident	83.3	Confident	32 Å²	32	76.2 Å²	76.2	14%	0.14	41%	0.407	C	S	.	.	H	α-helix	trans	-73.8	-22.9	-174.7	-55.6	-25.2	0	0	0	113.8	I65 K78 L81 A82 F88 I104	I65-F92 HydrophobicContact CD1-CE1 3.61Å; I65-F92 HydrophobicContact CD1-CZ 3.55Å; K78-F92 HydrophobicContact CB-CD2 3.76Å; K78-F92 HydrophobicContact CB-CE2 3.8Å; K78-F92 HydrophobicContact CB-CG 4.44Å; K78-F92 HydrophobicContact CB-CZ 4.5Å; K78-F92 HydrophobicContact CG-CD2 4.11Å; K78-F92 HydrophobicContact CG-CE1 4.47Å; K78-F92 HydrophobicContact CG-CE2 3.93Å; K78-F92 HydrophobicContact CG-CG 4.48Å; K78-F92 HydrophobicContact CG-CZ 4.14Å; K78-F92 WeakPolarHBondContact O-CD2 3.21Å; K78-F92 WeakPolarHBondContact O-CE2 3.43Å; L81-F92 HydrophobicContact CB-CE2 4.15Å; A82-F92 HydrophobicContact CB-CD2 4.2Å; F88-F92 HydrophobicContact CB-CD2 4.34Å; F88-F92 HydrophobicContact CB-CE2 3.75Å; F88-F92 HydrophobicContact CB-CZ 3.89Å; F88-F92 HydrophobicContact CD1-CE1 4.42Å; F88-F92 AromaticContact CD1-CZ 3.98Å; F88-F92 HydrophobicContact CD1-CZ 3.98Å; F88-F92 HydrophobicContact CG-CE2 4.42Å; F88-F92 HydrophobicContact CG-CZ 4.16Å; F88-F92 WeakPolarHBondContact O-CB 3.44Å; F88-F92 WeakPolarHBondContact O-CD2 3.39Å; F88-F92 VanDerWaalsContact O-CG 3.22Å; F88-F92 WeakPolarHBondContact O-CG 3.39Å; F88-F92 PolarHBondContact O-N 3.49Å; F92-I104 HydrophobicContact CE1-CD1 3.92Å
93	L	85.8	Confident	83.2	Confident	134 Å²	134	79.4 Å²	79.4	70%	0.702	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.6	173.7	-62.3	177.1	0	0	0	113.2	R89 M91	R89-L93 HydrophobicContact CG-CD1 3.87Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 VanDerWaalsContact O-CG 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.12Å; R89-L93 PolarHBondContact O-N 2.64Å; R89-L93 VanDerWaalsContact O-N 3.16Å; M91-L93 VanDerWaalsContact C-N 3.34Å; M91-L93 PolarHBondContact O-N 2.96Å
94	S	83.4	Confident	83.1	Confident	39 Å²	39	75 Å²	75	27%	0.273	39%	0.39	S	S	.	.	S	Bend	trans	-84.8	160	174.8	77.3	0	0	0	0	112.3	A90 M91 M96 A99	A90-S94 WeakPolarHBondContact O-CB 3.34Å; A90-S94 PolarHBondContact O-N 3.43Å; A90-S94 VanDerWaalsContact O-N 3.16Å; M91-S94 WeakPolarHBondContact O-CB 3.47Å; M91-S94 PolarHBondContact O-N 3.18Å; M91-S94 PolarHBondContact O-OG 3.47Å; S94-M96 PolarHBondContact O-N 2.68Å; S94-M96 WeakPolarHBondContact OG-CB 3.49Å; S94-M96 WeakPolarHBondContact OG-CG 3.38Å; S94-M96 PolarHBondContact OG-N 2.89Å; S94-A99 WeakPolarHBondContact O-CB 3.31Å
95	E	73.1	Confident	83	Confident	192 Å²	192	76.6 Å²	76.6	90%	0.897	39%	0.394	S	S	*	.	S	Bend	trans	-80.3	7.4	173.2	-59.4	-167.6	156.5	0	0	113.6
96	M	71.1	Confident	82.7	Confident	122 Å²	122	77.1 Å²	77.1	60%	0.601	40%	0.397	S	S	*	.	S	Bend	trans	-70	161.1	-175.4	-61.3	-65.5	160.7	0	0	112.6	S94 E98 A99	S94-M96 PolarHBondContact O-N 2.68Å; S94-M96 WeakPolarHBondContact OG-CB 3.49Å; S94-M96 WeakPolarHBondContact OG-CG 3.38Å; S94-M96 PolarHBondContact OG-N 2.89Å; M96-E98 VanDerWaalsContact C-N 3.26Å; M96-E98 WeakPolarHBondContact CB-OE2 3.34Å; M96-E98 PolarHBondContact O-N 2.93Å; M96-A99 WeakPolarHBondContact O-CB 3.43Å; M96-A99 PolarHBondContact O-N 3.23Å
97	A	65.8	Low	82.4	Confident	65 Å²	65	82.8 Å²	82.8	54%	0.537	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-63.9	-34.5	-175.2	0	0	0	0	0	112.2	A99 K100 Q101	A97-A99 VanDerWaalsContact C-N 3.29Å; A97-A99 PolarHBondContact O-N 2.67Å; A97-K100 PolarHBondContact O-N 2.88Å; A97-K100 VanDerWaalsContact O-N 3.12Å; A97-Q101 PolarHBondContact O-N 3.2Å
98	E	69.6	Low	82.1	Confident	80 Å²	80	85.3 Å²	85.3	37%	0.374	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-58.6	-36	178.9	-66.3	77.9	-177.6	0	0	112.1	M91 M96 K100 Q101	M91-E98 HydrophobicContact CG-CB 4.32Å; M91-E98 HydrophobicContact SD-CB 4.4Å; M96-E98 VanDerWaalsContact C-N 3.26Å; M96-E98 WeakPolarHBondContact CB-OE2 3.34Å; M96-E98 PolarHBondContact O-N 2.93Å; E98-K100 PolarHBondContact O-N 2.89Å; E98-Q101 PolarHBondContact O-N 3.27Å
99	A	68.9	Low	82.1	Confident	17 Å²	17	87 Å²	87	14%	0.14	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.7	177.2	0	0	0	0	0	112.4	K78 S94 M96 A97	K78-A99 PolarHBondContact NZ-O 3.38Å; S94-A99 WeakPolarHBondContact O-CB 3.31Å; M96-A99 WeakPolarHBondContact O-CB 3.43Å; M96-A99 PolarHBondContact O-N 3.23Å; A97-A99 VanDerWaalsContact C-N 3.29Å; A97-A99 PolarHBondContact O-N 2.67Å
100	K	73.8	Confident	82.1	Confident	179 Å²	179	83.4 Å²	83.4	78%	0.778	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-90.9	-5.4	-179.5	-62.6	174.9	-176	166.6	0	113.4	A97 E98	A97-K100 PolarHBondContact O-N 2.88Å; A97-K100 VanDerWaalsContact O-N 3.12Å; E98-K100 PolarHBondContact O-N 2.89Å
101	Q	81.8	Confident	82.2	Confident	82 Å²	82	80.8 Å²	80.8	38%	0.383	41%	0.41	S	S	.	.			trans	-80.5	153.3	176.9	-67.5	173.6	11.7	0	0	111.3	K78 A97 E98 L103 I104	K78-Q101 PolarHBondContact NZ-O 2.95Å; A97-Q101 PolarHBondContact O-N 3.2Å; E98-Q101 PolarHBondContact O-N 3.27Å; Q101-L103 PolarHBondContact OE1-O 3.39Å; Q101-I104 HydrophobicContact CB-CG1 4.37Å
102	T	82.9	Confident	82.5	Confident	106 Å²	106	84 Å²	84	65%	0.65	43%	0.428	S	S	*	.	S	Bend	trans	-101.7	-16.8	172.3	50.3	0	0	0	0	112.5	I65 T66	I65-T102 CarbonylContact C-O 3.57Å; I65-T102 WeakPolarHBondContact CA-O 3.28Å; T66-T102 PolarHBondContact N-O 3.34Å
103	L	89.3	Confident	82.7	Confident	86 Å²	86	82.6 Å²	82.6	45%	0.45	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.7	173.7	-179.8	70	0	0	0	108.3	T66 K68 L73 Q101	T66-L103 HydrophobicContact CG2-CD1 3.9Å; T66-L103 WeakPolarHBondContact O-CA 3.46Å; K68-L103 HydrophobicContact CB-CD1 4.15Å; L73-L103 HydrophobicContact CD2-CD1 4.01Å; Q101-L103 PolarHBondContact OE1-O 3.39Å
104	I	88.3	Confident	83.1	Confident	8 Å²	8	76.3 Å²	76.3	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.2	177.8	-58.7	-170.1	0	0	0	109	I65 T66 L67 K68 M91 F92 Q101	I65-I104 HydrophobicContact CD1-CD1 3.62Å; I65-I104 HydrophobicContact CD1-CG1 3.93Å; T66-I104 PolarHBondContact O-N 3.36Å; L67-I104 HydrophobicContact CD2-CB 4.2Å; K68-I104 PolarHBondContact N-O 2.88Å; M91-I104 HydrophobicContact SD-CD1 3.6Å; M91-I104 HydrophobicContact SD-CG2 4.27Å; F92-I104 HydrophobicContact CE1-CD1 3.92Å; Q101-I104 HydrophobicContact CB-CG1 4.37Å
105	E	88.4	Confident	83.6	Confident	86 Å²	86	76.8 Å²	76.8	40%	0.402	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.3	174.8	-175.5	175.5	-101.3	0	0	110.2	K68 R107	K68-E105 HydrophobicContact CD-CG 4.27Å; K68-E105 WeakPolarHBondContact CE-OE1 3.43Å; K68-E105 IonicContact NZ-OE1 2.67Å; K68-E105 PolarHBondContact NZ-OE1 3.09Å; K68-E105 WeakPolarHBondContact O-CA 3.43Å; E105-R107 HydrophobicContact CG-CG 4.3Å; E105-R107 IonicContact OE2-CZ 3.22Å; E105-R107 VanDerWaalsContact OE2-CZ 3.22Å; E105-R107 IonicContact OE2-NE 2.87Å; E105-R107 PolarHBondContact OE2-NE 3.01Å; E105-R107 IonicContact OE2-NH2 2.71Å; E105-R107 PolarHBondContact OE2-NH2 2.89Å
106	I	86.4	Confident	84.5	Confident	11 Å²	11	69.5 Å²	69.5	6%	0.056	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.1	173.8	-35.1	-179.6	0	0	0	107.8	L67 K68 V69 F88 F109	L67-I106 HydrophobicContact CD1-CD1 4.23Å; L67-I106 HydrophobicContact CD2-CD1 4.28Å; K68-I106 PolarHBondContact O-N 2.82Å; V69-I106 HydrophobicContact CG2-CB 4.21Å; V69-I106 HydrophobicContact CG2-CD1 4.32Å; V69-I106 HydrophobicContact CG2-CG1 4.35Å; F88-I106 HydrophobicContact CE1-CD1 3.79Å; F88-I106 HydrophobicContact CZ-CD1 3.55Å; I106-F109 HydrophobicContact CB-CD2 4.47Å; I106-F109 HydrophobicContact CG2-CD2 3.44Å; I106-F109 VanDerWaalsContact CG2-CD2 3.44Å; I106-F109 HydrophobicContact CG2-CE2 3.56Å
107	R	86.5	Confident	85.6	Confident	170 Å²	170	63.7 Å²	63.7	64%	0.642	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-102	161.6	-178.7	-61.1	-178.1	-178.6	170.4	1.8	110.2	E105 F109	E105-R107 HydrophobicContact CG-CG 4.3Å; E105-R107 IonicContact OE2-CZ 3.22Å; E105-R107 VanDerWaalsContact OE2-CZ 3.22Å; E105-R107 IonicContact OE2-NE 2.87Å; E105-R107 PolarHBondContact OE2-NE 3.01Å; E105-R107 IonicContact OE2-NH2 2.71Å; E105-R107 PolarHBondContact OE2-NH2 2.89Å; R107-F109 WeakPolarHBondContact O-CD2 3.39Å; R107-F109 PolarHBondContact O-N 3.5Å
108	D	85.5	Confident	86.9	Confident	139 Å²	139	60.7 Å²	60.7	74%	0.743	30%	0.301	S	S	*	.	S	Bend	trans	62	26.7	172.6	-44.5	-46.7	0	0	0	115.1	Y138	D108-Y138 VanDerWaalsContact O-CE1 3.27Å; D108-Y138 WeakPolarHBondContact O-CE1 3.48Å; D108-Y138 PolarHBondContact O-OH 3.37Å
109	F	89.9	Confident	88	Confident	37 Å²	37	60.5 Å²	60.5	16%	0.162	30%	0.299	C	S	.	.	S	Bend	trans	-123.2	152.5	167.5	-65.3	-82.9	0	0	0	111.6	V69 I106 R107 I114 Y138 A139 I142	V69-F109 HydrophobicContact CG1-CB 4.17Å; I106-F109 HydrophobicContact CB-CD2 4.47Å; I106-F109 HydrophobicContact CG2-CD2 3.44Å; I106-F109 VanDerWaalsContact CG2-CD2 3.44Å; I106-F109 HydrophobicContact CG2-CE2 3.56Å; R107-F109 WeakPolarHBondContact O-CD2 3.39Å; R107-F109 PolarHBondContact O-N 3.5Å; F109-I114 HydrophobicContact CB-CD1 3.97Å; F109-I114 HydrophobicContact CB-CG1 3.71Å; F109-I114 HydrophobicContact CD1-CD1 4.02Å; F109-I114 HydrophobicContact CD2-CD1 4.42Å; F109-I114 HydrophobicContact CG-CD1 3.87Å; F109-I114 HydrophobicContact CG-CG1 4.18Å; F109-Y138 AromaticContact CD1-CD1 3.75Å; F109-Y138 HydrophobicContact CD1-CD1 3.75Å; F109-Y138 AromaticContact CD1-CE1 3.53Å; F109-Y138 HydrophobicContact CD1-CE1 3.53Å; F109-Y138 AromaticContact CE1-CD1 3.88Å; F109-Y138 HydrophobicContact CE1-CD1 3.88Å; F109-Y138 AromaticContact CE1-CE1 3.53Å; F109-Y138 HydrophobicContact CE1-CE1 3.53Å; F109-Y138 HydrophobicContact CG-CE1 4.38Å; F109-Y138 HydrophobicContact CZ-CE1 4.39Å; F109-A139 HydrophobicContact CD1-CB 3.94Å; F109-A139 HydrophobicContact CE1-CB 4.31Å; F109-I142 HydrophobicContact CE1-CB 3.98Å; F109-I142 HydrophobicContact CE1-CG1 4.33Å; F109-I142 HydrophobicContact CE1-CG2 4.3Å; F109-I142 HydrophobicContact CZ-CB 3.92Å; F109-I142 HydrophobicContact CZ-CG1 4.49Å; F109-I142 HydrophobicContact CZ-CG2 3.72Å
110	D	90.5	Very high	89.2	Confident	74 Å²	74	61.1 Å²	61.1	40%	0.396	30%	0.299	S	S	.	.			trans	-69.7	139.2	166.2	-179.2	-92.1	0	0	0	111.3	D112 A113 I114 P135	D110-D112 WeakPolarHBondContact OD1-CA 3.44Å; D110-D112 WeakPolarHBondContact OD1-CB 3.47Å; D110-D112 PolarHBondContact OD1-N 2.92Å; D110-A113 HydrophobicContact CB-CB 3.99Å; D110-A113 PolarHBondContact OD1-N 3.21Å; D110-I114 WeakPolarHBondContact O-CG1 3.41Å; D110-I114 PolarHBondContact O-N 3.02Å; D110-P135 HydrophobicContact CB-CB 3.89Å
111	G	90.6	Very high	90.1	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-74.3	-32.8	-175.1	0	0	0	0	0	113.9	E115	G111-E115 WeakPolarHBondContact O-CB 3.42Å; G111-E115 PolarHBondContact O-N 2.91Å
112	D	92.3	Very high	90.5	Very high	92 Å²	92	48.9 Å²	48.9	49%	0.492	24%	0.244	S	C	.	.	H	α-helix	trans	-71.4	-42.9	174.8	-68.3	-80.4	0	0	0	110.4	K72 D110 I114 E115 D116	K72-D112 IonicContact NZ-OD1 3.55Å; K72-D112 PolarHBondContact NZ-OD1 3.32Å; K72-D112 IonicContact NZ-OD2 2.66Å; K72-D112 PolarHBondContact NZ-OD2 3.1Å; D110-D112 WeakPolarHBondContact OD1-CA 3.44Å; D110-D112 WeakPolarHBondContact OD1-CB 3.47Å; D110-D112 PolarHBondContact OD1-N 2.92Å; D112-I114 PolarHBondContact O-N 3.5Å; D112-E115 PolarHBondContact O-N 2.96Å; D112-D116 WeakPolarHBondContact O-CB 3.42Å; D112-D116 PolarHBondContact O-N 3.15Å
113	A	93.6	Very high	90.9	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-43.4	176.6	0	0	0	0	0	113.6	D110 L117 P135 L136 A139	D110-A113 HydrophobicContact CB-CB 3.99Å; D110-A113 PolarHBondContact OD1-N 3.21Å; A113-L117 WeakPolarHBondContact O-CG 3.43Å; A113-L117 PolarHBondContact O-N 3.24Å; A113-L117 VanDerWaalsContact O-N 3.1Å; A113-P135 HydrophobicContact CB-CB 4.07Å; A113-L136 HydrophobicContact CB-CB 4.48Å; A113-L136 HydrophobicContact CB-CD1 4.35Å; A113-L136 WeakPolarHBondContact O-CD1 3.48Å; A113-A139 HydrophobicContact CB-CB 4.22Å
114	I	93.7	Very high	90.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-70	-39.4	176.7	-61.7	-68.6	0	0	0	111.3	V69 I74 F109 D110 D112 D116 L117 V118 A139 L143	V69-I114 HydrophobicContact CG1-CG1 4.13Å; V69-I114 HydrophobicContact CG2-CB 4.1Å; V69-I114 HydrophobicContact CG2-CG1 4.19Å; V69-I114 HydrophobicContact CG2-CG2 3.89Å; I74-I114 HydrophobicContact CD1-CG2 4.2Å; F109-I114 HydrophobicContact CB-CD1 3.97Å; F109-I114 HydrophobicContact CB-CG1 3.71Å; F109-I114 HydrophobicContact CD1-CD1 4.02Å; F109-I114 HydrophobicContact CD2-CD1 4.42Å; F109-I114 HydrophobicContact CG-CD1 3.87Å; F109-I114 HydrophobicContact CG-CG1 4.18Å; D110-I114 WeakPolarHBondContact O-CG1 3.41Å; D110-I114 PolarHBondContact O-N 3.02Å; D112-I114 PolarHBondContact O-N 3.5Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.84Å; I114-L117 PolarHBondContact O-N 3.15Å; I114-V118 HydrophobicContact CG2-CG2 4.38Å; I114-V118 WeakPolarHBondContact O-CG2 3.42Å; I114-V118 PolarHBondContact O-N 2.93Å; I114-A139 HydrophobicContact CD1-CB 4.15Å; I114-L143 HydrophobicContact CD1-CD1 3.57Å
115	E	92.9	Very high	90.9	Very high	50 Å²	50	53.9 Å²	53.9	23%	0.234	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-40.5	176.8	-163.8	-173.6	143.1	0	0	111.7	K72 I74 G111 D112 V118 K119	K72-E115 WeakPolarHBondContact CD-OE2 3.34Å; K72-E115 WeakPolarHBondContact CE-OE2 3.37Å; K72-E115 IonicContact NZ-OE2 2.63Å; K72-E115 PolarHBondContact NZ-OE2 2.82Å; I74-E115 HydrophobicContact CD1-CB 3.89Å; I74-E115 HydrophobicContact CD1-CG 4.19Å; I74-E115 HydrophobicContact CG1-CG 4.4Å; G111-E115 WeakPolarHBondContact O-CB 3.42Å; G111-E115 PolarHBondContact O-N 2.91Å; D112-E115 PolarHBondContact O-N 2.96Å; E115-V118 PolarHBondContact O-N 3.03Å; E115-K119 HydrophobicContact CG-CD 4.49Å; E115-K119 WeakPolarHBondContact O-CB 3.41Å; E115-K119 WeakPolarHBondContact O-CG 3.23Å; E115-K119 PolarHBondContact O-N 3.4Å; E115-K119 WeakPolarHBondContact OE1-CE 3.18Å; E115-K119 IonicContact OE1-NZ 3.86Å; E115-K119 PolarHBondContact OE1-NZ 2.88Å
116	D	93.6	Very high	91.2	Very high	38 Å²	38	52.1 Å²	52.1	20%	0.203	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-37.5	175.5	-78.9	-9.1	0	0	0	112.5	D112 I114 K119 F120 L126 N132 L136	D112-D116 WeakPolarHBondContact O-CB 3.42Å; D112-D116 PolarHBondContact O-N 3.15Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.84Å; D116-K119 PolarHBondContact O-N 3.44Å; D116-K119 IonicContact OD1-NZ 2.82Å; D116-F120 VanDerWaalsContact O-CB 3.31Å; D116-F120 WeakPolarHBondContact O-CB 3.47Å; D116-F120 PolarHBondContact O-N 2.86Å; D116-L126 HydrophobicContact CB-CD1 3.97Å; D116-N132 PolarHBondContact OD2-ND2 2.85Å; D116-L136 HydrophobicContact CB-CD1 4.27Å
117	L	93.9	Very high	91.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-37.6	172	-72.8	178.1	0	0	0	113	A113 I114 F120 A121 L136 A139 A140 L143 V145 V148	A113-L117 WeakPolarHBondContact O-CG 3.43Å; A113-L117 PolarHBondContact O-N 3.24Å; A113-L117 VanDerWaalsContact O-N 3.1Å; I114-L117 PolarHBondContact O-N 3.15Å; L117-F120 PolarHBondContact O-N 2.85Å; L117-A121 PolarHBondContact O-N 3.27Å; L117-A121 VanDerWaalsContact O-N 3.11Å; L117-L136 HydrophobicContact CD1-CD1 4.41Å; L117-L136 HydrophobicContact CD2-CD1 3.84Å; L117-L136 HydrophobicContact CG-CD1 3.67Å; L117-A139 HydrophobicContact CD1-CB 3.59Å; L117-A140 HydrophobicContact CD2-CB 4.36Å; L117-L143 HydrophobicContact CD1-CD1 3.82Å; L117-V145 HydrophobicContact CD2-CB 4.46Å; L117-V145 HydrophobicContact CD2-CG1 4.43Å; L117-V148 HydrophobicContact CD2-CB 4.05Å; L117-V148 HydrophobicContact CD2-CG1 3.77Å; L117-V148 HydrophobicContact CD2-CG2 3.97Å
118	V	93.3	Very high	91.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-47.7	174.6	174.7	0	0	0	0	109.9	F57 L67 I74 C76 L81 I114 E115 F120 A121 Y122	F57-V118 HydrophobicContact CD2-CG1 4.5Å; F57-V118 HydrophobicContact CE2-CG1 3.62Å; F57-V118 HydrophobicContact CZ-CG1 3.72Å; L67-V118 HydrophobicContact CD1-CG2 4.14Å; I74-V118 HydrophobicContact CG2-CB 4.35Å; I74-V118 HydrophobicContact CG2-CG1 3.97Å; I74-V118 HydrophobicContact CG2-CG2 4.38Å; C76-V118 HydrophobicContact CB-CG1 4.19Å; L81-V118 HydrophobicContact CD2-CG1 4.33Å; L81-V118 HydrophobicContact CD2-CG2 4.11Å; I114-V118 HydrophobicContact CG2-CG2 4.38Å; I114-V118 WeakPolarHBondContact O-CG2 3.42Å; I114-V118 PolarHBondContact O-N 2.93Å; E115-V118 PolarHBondContact O-N 3.03Å; V118-F120 VanDerWaalsContact C-N 3.28Å; V118-F120 PolarHBondContact O-N 3.44Å; V118-A121 WeakPolarHBondContact O-CB 3.4Å; V118-A121 PolarHBondContact O-N 3.22Å; V118-Y122 HydrophobicContact CG1-CD2 4.18Å; V118-Y122 HydrophobicContact CG1-CE2 3.88Å; V118-Y122 VanDerWaalsContact O-CD2 3.24Å; V118-Y122 WeakPolarHBondContact O-CD2 3.13Å; V118-Y122 PolarHBondContact O-N 2.9Å
119	K	91.9	Very high	92.1	Very high	77 Å²	77	46.2 Å²	46.2	34%	0.335	24%	0.241	S	C	.	.	H	α-helix	trans	-58	-38.6	174	-74	168.1	-175	160.6	0	112.4	F57 E115 D116 A121 Y122 S123	F57-K119 HydrophobicContact CE1-CG 4.03Å; E115-K119 HydrophobicContact CG-CD 4.49Å; E115-K119 WeakPolarHBondContact O-CB 3.41Å; E115-K119 WeakPolarHBondContact O-CG 3.23Å; E115-K119 PolarHBondContact O-N 3.4Å; E115-K119 WeakPolarHBondContact OE1-CE 3.18Å; E115-K119 IonicContact OE1-NZ 3.86Å; E115-K119 PolarHBondContact OE1-NZ 2.88Å; D116-K119 PolarHBondContact O-N 3.44Å; D116-K119 IonicContact OD1-NZ 2.82Å; K119-A121 VanDerWaalsContact C-N 3.31Å; K119-A121 PolarHBondContact O-N 2.71Å; K119-Y122 PolarHBondContact O-N 3.37Å; K119-S123 WeakPolarHBondContact O-CB 3.2Å; K119-S123 PolarHBondContact O-N 3.32Å; K119-S123 PolarHBondContact O-OG 3.17Å
120	F	94	Very high	91.9	Very high	30 Å²	30	49.5 Å²	49.5	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-39.7	173.8	172.3	-98.6	0	0	0	111.7	V84 D116 L117 V118 Y122 S123 S124 L126 V145 L147 V148	V84-F120 HydrophobicContact CG1-CD1 4.34Å; V84-F120 HydrophobicContact CG1-CE1 4.16Å; D116-F120 VanDerWaalsContact O-CB 3.31Å; D116-F120 WeakPolarHBondContact O-CB 3.47Å; D116-F120 PolarHBondContact O-N 2.86Å; L117-F120 PolarHBondContact O-N 2.85Å; V118-F120 VanDerWaalsContact C-N 3.28Å; V118-F120 PolarHBondContact O-N 3.44Å; F120-Y122 PolarHBondContact O-N 3.47Å; F120-S123 PolarHBondContact O-N 3.35Å; F120-S124 VanDerWaalsContact O-CA 3.28Å; F120-S124 WeakPolarHBondContact O-CA 3.31Å; F120-S124 PolarHBondContact O-N 3.35Å; F120-L126 HydrophobicContact CD2-CB 4.09Å; F120-V145 HydrophobicContact CD1-CG1 4.38Å; F120-V145 HydrophobicContact CE1-CG1 4.13Å; F120-L147 HydrophobicContact CZ-CB 4.45Å; F120-V148 HydrophobicContact CD1-CG2 3.6Å; F120-V148 HydrophobicContact CD2-CG2 4.09Å; F120-V148 HydrophobicContact CE1-CG2 3.59Å; F120-V148 HydrophobicContact CE2-CG2 4.08Å; F120-V148 HydrophobicContact CG-CG2 3.86Å; F120-V148 HydrophobicContact CZ-CG2 3.84Å
121	A	92.3	Very high	91.7	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-25.7	177.5	0	0	0	0	0	114.3	V80 L81 V84 L117 V118 K119	V80-A121 HydrophobicContact CG1-CB 4.45Å; L81-A121 HydrophobicContact CD2-CB 4.46Å; V84-A121 HydrophobicContact CB-CB 3.85Å; V84-A121 HydrophobicContact CG1-CB 3.97Å; V84-A121 HydrophobicContact CG2-CB 3.96Å; L117-A121 PolarHBondContact O-N 3.27Å; L117-A121 VanDerWaalsContact O-N 3.11Å; V118-A121 WeakPolarHBondContact O-CB 3.4Å; V118-A121 PolarHBondContact O-N 3.22Å; K119-A121 VanDerWaalsContact C-N 3.31Å; K119-A121 PolarHBondContact O-N 2.71Å
122	Y	91.6	Very high	91.8	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-96.3	-24.9	177.3	-71.3	-78.6	0	0	0	114.9	H50 L53 F57 C76 H77 V80 V118 K119 F120	H50-Y122 PolarHBondContact CD2-O 3.19Å; H50-Y122 PolarHBondContact NE2-O 2.67Å; L53-Y122 HydrophobicContact CB-CD1 4.17Å; L53-Y122 WeakPolarHBondContact O-CD1 3.33Å; F57-Y122 HydrophobicContact CB-CD1 3.74Å; F57-Y122 HydrophobicContact CB-CD2 3.95Å; F57-Y122 HydrophobicContact CB-CE1 3.81Å; F57-Y122 HydrophobicContact CB-CE2 4.04Å; F57-Y122 HydrophobicContact CB-CG 3.83Å; F57-Y122 AromaticContact CD1-CD2 3.83Å; F57-Y122 HydrophobicContact CD1-CD2 3.83Å; F57-Y122 HydrophobicContact CD1-CE2 4.36Å; F57-Y122 HydrophobicContact CD1-CG 4.15Å; F57-Y122 AromaticContact CD2-CD2 3.78Å; F57-Y122 HydrophobicContact CD2-CD2 3.78Å; F57-Y122 AromaticContact CD2-CE2 3.45Å; F57-Y122 HydrophobicContact CD2-CE2 3.45Å; F57-Y122 VanDerWaalsContact CD2-CE2 3.45Å; F57-Y122 AromaticContact CD2-CZ 3.93Å; F57-Y122 HydrophobicContact CE1-CD2 4.28Å; F57-Y122 HydrophobicContact CE2-CD2 4.23Å; F57-Y122 AromaticContact CE2-CE2 3.96Å; F57-Y122 HydrophobicContact CE2-CE2 3.96Å; F57-Y122 HydrophobicContact CG-CD1 4.29Å; F57-Y122 AromaticContact CG-CD2 3.56Å; F57-Y122 HydrophobicContact CG-CD2 3.56Å; F57-Y122 HydrophobicContact CG-CE1 4.37Å; F57-Y122 AromaticContact CG-CE2 3.68Å; F57-Y122 HydrophobicContact CG-CE2 3.68Å; F57-Y122 AromaticContact CG-CG 3.91Å; F57-Y122 HydrophobicContact CG-CG 3.91Å; F57-Y122 HydrophobicContact CZ-CD2 4.46Å; C76-Y122 HydrophobicContact CB-CE2 4.33Å; H77-Y122 VanDerWaalsContact CB-OH 3.24Å; H77-Y122 WeakPolarHBondContact CB-OH 3.29Å; H77-Y122 PolarHBondContact N-OH 3.06Å; H77-Y122 AromaticContact ND1-CE1 3.82Å; H77-Y122 AromaticContact ND1-CZ 3.72Å; H77-Y122 PolarHBondContact ND1-OH 3.45Å; V80-Y122 HydrophobicContact CB-CE1 3.88Å; V80-Y122 HydrophobicContact CG1-CD1 3.98Å; V80-Y122 HydrophobicContact CG1-CE1 3.67Å; V80-Y122 HydrophobicContact CG1-CE2 4.42Å; V80-Y122 HydrophobicContact CG1-CG 4.47Å; V80-Y122 HydrophobicContact CG2-CE1 3.82Å; V118-Y122 HydrophobicContact CG1-CD2 4.18Å; V118-Y122 HydrophobicContact CG1-CE2 3.88Å; V118-Y122 VanDerWaalsContact O-CD2 3.24Å; V118-Y122 WeakPolarHBondContact O-CD2 3.13Å; V118-Y122 PolarHBondContact O-N 2.9Å; K119-Y122 PolarHBondContact O-N 3.37Å; F120-Y122 PolarHBondContact O-N 3.47Å
123	S	90.4	Very high	91.7	Very high	28 Å²	28	49.6 Å²	49.6	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-113.4	-15.5	-173	66.1	0	0	0	0	114.4	K119 F120 R125	K119-S123 WeakPolarHBondContact O-CB 3.2Å; K119-S123 PolarHBondContact O-N 3.32Å; K119-S123 PolarHBondContact O-OG 3.17Å; F120-S123 PolarHBondContact O-N 3.35Å; S123-R125 PolarHBondContact O-N 3.49Å; S123-R125 VanDerWaalsContact O-N 3.14Å; S123-R125 PolarHBondContact OG-N 3.04Å; S123-R125 PolarHBondContact OG-O 3.1Å
124	S	88.8	Confident	91.5	Very high	75 Å²	75	54.4 Å²	54.4	52%	0.524	28%	0.284	S	S	.	.	S	Bend	trans	51.4	25.4	-166	-57.1	0	0	0	0	113.6	H50 F120	H50-S124 PolarHBondContact CE1-OG 2.86Å; H50-S124 PolarHBondContact NE2-N 3.32Å; H50-S124 PolarHBondContact NE2-OG 2.87Å; F120-S124 VanDerWaalsContact O-CA 3.28Å; F120-S124 WeakPolarHBondContact O-CA 3.31Å; F120-S124 PolarHBondContact O-N 3.35Å
125	R	89.6	Confident	91.4	Very high	202 Å²	202	56.5 Å²	56.5	76%	0.762	30%	0.297	S	S	*	.			trans	-129.8	150.2	-177.7	-70.8	177.6	-179.6	-140.1	-0.2	110.8	S123	S123-R125 PolarHBondContact O-N 3.49Å; S123-R125 VanDerWaalsContact O-N 3.14Å; S123-R125 PolarHBondContact OG-N 3.04Å; S123-R125 PolarHBondContact OG-O 3.1Å
126	L	93.3	Very high	91.4	Very high	50 Å²	50	54.2 Å²	54.2	26%	0.262	29%	0.286	S	S	.	.			trans	-155.3	143	-175.4	-177.6	67.4	0	0	0	109.4	D116 F120 L128 L136 V148	D116-L126 HydrophobicContact CB-CD1 3.97Å; F120-L126 HydrophobicContact CD2-CB 4.09Å; L126-L128 HydrophobicContact CD2-CD2 3.88Å; L126-L128 HydrophobicContact CG-CD2 4.17Å; L126-L136 HydrophobicContact CD1-CD2 3.78Å; L126-L136 HydrophobicContact CD2-CD2 3.77Å; L126-L136 HydrophobicContact CG-CD2 4.09Å; L126-V148 HydrophobicContact CD2-CB 4.28Å; L126-V148 HydrophobicContact CD2-CG1 3.49Å; L126-V148 VanDerWaalsContact CD2-CG1 3.49Å; L126-V148 HydrophobicContact CD2-CG2 3.98Å
127	T	92.7	Very high	91.3	Very high	109 Å²	109	52.4 Å²	52.4	67%	0.669	28%	0.277	S	S	*	.			trans	-111.7	124.7	175.8	-56.5	0	0	0	0	108.7	N132	T127-N132 PolarHBondContact O-ND2 3.42Å
128	L	93.1	Very high	91.1	Very high	35 Å²	35	56 Å²	56	18%	0.183	29%	0.291	C	S	.	.			trans	-103.4	133.2	179.3	-61.5	177.5	0	0	0	110.4	L126 L136 A151 Y155	L126-L128 HydrophobicContact CD2-CD2 3.88Å; L126-L128 HydrophobicContact CG-CD2 4.17Å; L128-L136 HydrophobicContact CD2-CD2 3.61Å; L128-A151 HydrophobicContact CD1-CB 4.21Å; L128-A151 WeakPolarHBondContact CD1-O 3.5Å; L128-Y155 HydrophobicContact CB-CD1 4.29Å; L128-Y155 HydrophobicContact CB-CD2 3.73Å; L128-Y155 HydrophobicContact CB-CE2 4.09Å; L128-Y155 HydrophobicContact CB-CG 3.84Å; L128-Y155 HydrophobicContact CD1-CD2 4.45Å; L128-Y155 HydrophobicContact CD1-CG 4.16Å
129	T	91.6	Very high	91.1	Very high	52 Å²	52	56 Å²	56	32%	0.319	29%	0.291	S	S	.	.			trans	-131.9	165.1	176.5	72.7	0	0	0	0	109.7	D131 N132 V133 Y155	T129-D131 PolarHBondContact O-N 3.49Å; T129-D131 PolarHBondContact OG1-N 3.46Å; T129-N132 PolarHBondContact N-OD1 3.38Å; T129-N132 PolarHBondContact O-N 3.05Å; T129-N132 PolarHBondContact O-OD1 3.03Å; T129-N132 PolarHBondContact OG1-N 2.81Å; T129-N132 VanDerWaalsContact OG1-N 3.16Å; T129-N132 PolarHBondContact OG1-OD1 3.05Å; T129-V133 VanDerWaalsContact O-CB 3.29Å; T129-V133 WeakPolarHBondContact O-CB 3.45Å; T129-V133 WeakPolarHBondContact O-CG1 3.43Å; T129-V133 PolarHBondContact O-N 2.93Å; T129-V133 VanDerWaalsContact O-N 3.1Å; T129-Y155 WeakPolarHBondContact CA-OH 3.37Å
130	V	86	Confident	91.1	Very high	105 Å²	105	52.3 Å²	52.3	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-35	176.7	-175.9	0	0	0	0	111.3	Y155	V130-Y155 PolarHBondContact N-OH 2.72Å
131	D	87.6	Confident	90.8	Very high	141 Å²	141	52.3 Å²	52.3	75%	0.754	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-38.9	-177.6	-48.2	-64.6	0	0	0	113.1	T129	T129-D131 PolarHBondContact O-N 3.49Å; T129-D131 PolarHBondContact OG1-N 3.46Å
132	N	92.1	Very high	90.7	Very high	30 Å²	30	56 Å²	56	16%	0.16	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.4	-175.2	84.1	-12.3	0	0	0	114.2	D116 T127 T129 Q134 P135 L136	D116-N132 PolarHBondContact OD2-ND2 2.85Å; T127-N132 PolarHBondContact O-ND2 3.42Å; T129-N132 PolarHBondContact N-OD1 3.38Å; T129-N132 PolarHBondContact O-N 3.05Å; T129-N132 PolarHBondContact O-OD1 3.03Å; T129-N132 PolarHBondContact OG1-N 2.81Å; T129-N132 VanDerWaalsContact OG1-N 3.16Å; T129-N132 PolarHBondContact OG1-OD1 3.05Å; N132-Q134 VanDerWaalsContact C-N 3.35Å; N132-Q134 PolarHBondContact O-N 2.94Å; N132-P135 WeakPolarHBondContact O-CD 3.29Å; N132-L136 WeakPolarHBondContact O-CB 3.48Å; N132-L136 PolarHBondContact O-N 2.9Å
133	V	90.9	Very high	90.7	Very high	10 Å²	10	56 Å²	56	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-34.3	-168.8	68.7	0	0	0	0	113.8	T129 L137 C152 Y155 M156	T129-V133 VanDerWaalsContact O-CB 3.29Å; T129-V133 WeakPolarHBondContact O-CB 3.45Å; T129-V133 WeakPolarHBondContact O-CG1 3.43Å; T129-V133 PolarHBondContact O-N 2.93Å; T129-V133 VanDerWaalsContact O-N 3.1Å; V133-L137 WeakPolarHBondContact O-CB 3.37Å; V133-L137 PolarHBondContact O-N 3.42Å; V133-C152 HydrophobicContact CG2-CB 3.71Å; V133-Y155 HydrophobicContact CB-CD1 4Å; V133-Y155 HydrophobicContact CB-CE1 4.33Å; V133-Y155 HydrophobicContact CG1-CD1 4.06Å; V133-Y155 HydrophobicContact CG1-CE1 4.18Å; V133-Y155 HydrophobicContact CG2-CD1 3.86Å; V133-M156 HydrophobicContact CG1-CE 4Å; V133-M156 HydrophobicContact CG1-CG 4.26Å; V133-M156 HydrophobicContact CG2-CE 4.09Å; V133-M156 HydrophobicContact CG2-CG 4.03Å
134	Q	88.6	Confident	90.7	Very high	105 Å²	105	60.5 Å²	60.5	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-75.2	-50.7	179.5	179.2	179.6	-15.3	0	0	112.7	N132 L136 L137 Y138 M156 F171	N132-Q134 VanDerWaalsContact C-N 3.35Å; N132-Q134 PolarHBondContact O-N 2.94Å; Q134-L136 VanDerWaalsContact C-N 3.25Å; Q134-L136 PolarHBondContact O-N 3.1Å; Q134-L137 PolarHBondContact O-N 3.07Å; Q134-Y138 WeakPolarHBondContact O-CB 3.48Å; Q134-Y138 PolarHBondContact O-N 2.91Å; Q134-M156 HydrophobicContact CB-CE 4.03Å; Q134-F171 HydrophobicContact CG-CD2 3.83Å; Q134-F171 HydrophobicContact CG-CE2 3.53Å; Q134-F171 HydrophobicContact CG-CG 4.42Å; Q134-F171 HydrophobicContact CG-CZ 3.92Å
135	P	91.6	Very high	90.9	Very high	45 Å²	45	57.3 Å²	57.3	29%	0.292	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-37.4	170.7	-26.5	34.4	0	0	0	113.6	D110 A113 N132 Y138 A139	D110-P135 HydrophobicContact CB-CB 3.89Å; A113-P135 HydrophobicContact CB-CB 4.07Å; N132-P135 WeakPolarHBondContact O-CD 3.29Å; P135-Y138 WeakPolarHBondContact O-CB 3.33Å; P135-A139 WeakPolarHBondContact O-CB 3.37Å; P135-A139 PolarHBondContact O-N 3.16Å
136	L	93.7	Very high	91	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-73.9	-39	-179.4	-173.5	64.3	0	0	0	113	A113 D116 L117 L126 L128 N132 Q134 Y138 A139 A140 V148	A113-L136 HydrophobicContact CB-CB 4.48Å; A113-L136 HydrophobicContact CB-CD1 4.35Å; A113-L136 WeakPolarHBondContact O-CD1 3.48Å; D116-L136 HydrophobicContact CB-CD1 4.27Å; L117-L136 HydrophobicContact CD1-CD1 4.41Å; L117-L136 HydrophobicContact CD2-CD1 3.84Å; L117-L136 HydrophobicContact CG-CD1 3.67Å; L126-L136 HydrophobicContact CD1-CD2 3.78Å; L126-L136 HydrophobicContact CD2-CD2 3.77Å; L126-L136 HydrophobicContact CG-CD2 4.09Å; L128-L136 HydrophobicContact CD2-CD2 3.61Å; N132-L136 WeakPolarHBondContact O-CB 3.48Å; N132-L136 PolarHBondContact O-N 2.9Å; Q134-L136 VanDerWaalsContact C-N 3.25Å; Q134-L136 PolarHBondContact O-N 3.1Å; L136-Y138 VanDerWaalsContact C-N 3.35Å; L136-A139 PolarHBondContact O-N 3.3Å; L136-A140 VanDerWaalsContact O-CB 3.26Å; L136-A140 WeakPolarHBondContact O-CB 3.46Å; L136-A140 PolarHBondContact O-N 3.47Å; L136-V148 HydrophobicContact CD1-CG1 4.48Å; L136-V148 HydrophobicContact CD2-CG1 4.32Å; L136-V148 HydrophobicContact CG-CG1 4.11Å
137	L	90.6	Very high	90.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-40.2	172.6	179	53.4	0	0	0	111.3	V133 Q134 A140 C141 A149 C152 M156 F171 L180	V133-L137 WeakPolarHBondContact O-CB 3.37Å; V133-L137 PolarHBondContact O-N 3.42Å; Q134-L137 PolarHBondContact O-N 3.07Å; L137-A140 PolarHBondContact O-N 3.22Å; L137-C141 WeakPolarHBondContact O-CB 3.49Å; L137-C141 PolarHBondContact O-N 3.1Å; L137-C141 PolarHBondContact O-SG 3.46Å; L137-A149 HydrophobicContact CD1-CB 4.05Å; L137-A149 WeakPolarHBondContact CD1-O 3.39Å; L137-C152 HydrophobicContact CB-CB 3.84Å; L137-C152 HydrophobicContact CD1-CB 4.02Å; L137-C152 HydrophobicContact CD2-CB 4.35Å; L137-C152 HydrophobicContact CG-CB 4.28Å; L137-M156 HydrophobicContact CB-CE 4.38Å; L137-M156 HydrophobicContact CD2-CE 3.7Å; L137-M156 HydrophobicContact CD2-SD 3.66Å; L137-F171 HydrophobicContact CB-CE1 4.29Å; L137-F171 HydrophobicContact CB-CZ 4.47Å; L137-F171 HydrophobicContact CD2-CD1 4.42Å; L137-F171 HydrophobicContact CD2-CE1 3.7Å; L137-F171 HydrophobicContact CG-CE1 3.85Å; L137-F171 HydrophobicContact CG-CZ 4.41Å; L137-L180 HydrophobicContact CD2-CD2 4.03Å
138	Y	89.8	Confident	90.9	Very high	77 Å²	77	50.7 Å²	50.7	30%	0.302	27%	0.265	S	S	.	.	H	α-helix	trans	-55.5	-53.4	171.1	174.9	-90.2	0	0	0	110.9	D108 F109 Q134 P135 L136 A140 C141 I142 H175	D108-Y138 VanDerWaalsContact O-CE1 3.27Å; D108-Y138 WeakPolarHBondContact O-CE1 3.48Å; D108-Y138 PolarHBondContact O-OH 3.37Å; F109-Y138 AromaticContact CD1-CD1 3.75Å; F109-Y138 HydrophobicContact CD1-CD1 3.75Å; F109-Y138 AromaticContact CD1-CE1 3.53Å; F109-Y138 HydrophobicContact CD1-CE1 3.53Å; F109-Y138 AromaticContact CE1-CD1 3.88Å; F109-Y138 HydrophobicContact CE1-CD1 3.88Å; F109-Y138 AromaticContact CE1-CE1 3.53Å; F109-Y138 HydrophobicContact CE1-CE1 3.53Å; F109-Y138 HydrophobicContact CG-CE1 4.38Å; F109-Y138 HydrophobicContact CZ-CE1 4.39Å; Q134-Y138 WeakPolarHBondContact O-CB 3.48Å; Q134-Y138 PolarHBondContact O-N 2.91Å; P135-Y138 WeakPolarHBondContact O-CB 3.33Å; L136-Y138 VanDerWaalsContact C-N 3.35Å; Y138-A140 PolarHBondContact O-N 2.96Å; Y138-C141 PolarHBondContact O-N 3.46Å; Y138-I142 WeakPolarHBondContact O-CG1 3.31Å; Y138-I142 PolarHBondContact O-N 2.89Å; Y138-I142 VanDerWaalsContact O-N 3.17Å; Y138-H175 AromaticContact CD2-CE1 3.91Å; Y138-H175 AromaticContact CD2-NE2 3.2Å; Y138-H175 WeakPolarHBondContact CD2-NE2 3.42Å; Y138-H175 AromaticContact CE2-NE2 3.68Å
139	A	92.1	Very high	90.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-45.8	179.2	0	0	0	0	0	112.5	F109 A113 I114 L117 P135 L136 C141 I142 L143	F109-A139 HydrophobicContact CD1-CB 3.94Å; F109-A139 HydrophobicContact CE1-CB 4.31Å; A113-A139 HydrophobicContact CB-CB 4.22Å; I114-A139 HydrophobicContact CD1-CB 4.15Å; L117-A139 HydrophobicContact CD1-CB 3.59Å; P135-A139 WeakPolarHBondContact O-CB 3.37Å; P135-A139 PolarHBondContact O-N 3.16Å; L136-A139 PolarHBondContact O-N 3.3Å; A139-C141 PolarHBondContact O-N 2.85Å; A139-I142 PolarHBondContact O-N 3.29Å; A139-L143 VanDerWaalsContact O-CB 3.24Å; A139-L143 WeakPolarHBondContact O-CB 3.4Å; A139-L143 VanDerWaalsContact O-CG 3.3Å; A139-L143 WeakPolarHBondContact O-CG 3.34Å; A139-L143 PolarHBondContact O-N 3.35Å
140	A	92.1	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-38.5	-179.8	0	0	0	0	0	112.8	L117 L136 L137 Y138 Q144 V145 V148 A149	L117-A140 HydrophobicContact CD2-CB 4.36Å; L136-A140 VanDerWaalsContact O-CB 3.26Å; L136-A140 WeakPolarHBondContact O-CB 3.46Å; L136-A140 PolarHBondContact O-N 3.47Å; L137-A140 PolarHBondContact O-N 3.22Å; Y138-A140 PolarHBondContact O-N 2.96Å; A140-Q144 CarbonylContact O-C 3.55Å; A140-Q144 WeakPolarHBondContact O-CA 3.46Å; A140-Q144 PolarHBondContact O-N 3.42Å; A140-V145 HydrophobicContact CB-CB 4.35Å; A140-V145 PolarHBondContact O-N 2.9Å; A140-V148 HydrophobicContact CB-CB 4.06Å; A140-V148 HydrophobicContact CB-CG1 3.87Å; A140-A149 HydrophobicContact CB-CB 3.97Å
141	C	89	Confident	90.9	Very high	30 Å²	30	48.2 Å²	48.2	20%	0.203	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-48.6	176.5	-76	0	0	0	0	112	L137 Y138 A139 Q144	L137-C141 WeakPolarHBondContact O-CB 3.49Å; L137-C141 PolarHBondContact O-N 3.1Å; L137-C141 PolarHBondContact O-SG 3.46Å; Y138-C141 PolarHBondContact O-N 3.46Å; A139-C141 PolarHBondContact O-N 2.85Å; C141-Q144 PolarHBondContact O-N 3.45Å
142	I	90	Very high	91.1	Very high	80 Å²	80	41.5 Å²	41.5	41%	0.41	21%	0.21	S	C	.	.	H	α-helix	trans	-70.1	-38.5	-178.7	-56.2	-61.8	0	0	0	111.7	F109 Y138 A139 Q144	F109-I142 HydrophobicContact CE1-CB 3.98Å; F109-I142 HydrophobicContact CE1-CG1 4.33Å; F109-I142 HydrophobicContact CE1-CG2 4.3Å; F109-I142 HydrophobicContact CZ-CB 3.92Å; F109-I142 HydrophobicContact CZ-CG1 4.49Å; F109-I142 HydrophobicContact CZ-CG2 3.72Å; Y138-I142 WeakPolarHBondContact O-CG1 3.31Å; Y138-I142 PolarHBondContact O-N 2.89Å; Y138-I142 VanDerWaalsContact O-N 3.17Å; A139-I142 PolarHBondContact O-N 3.29Å; I142-Q144 PolarHBondContact O-N 3.02Å
143	L	91.1	Very high	90.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-81.2	-2.3	177.8	-61.5	179	0	0	0	114	I85 Y87 I114 L117 A139 V145	I85-L143 HydrophobicContact CG2-CB 3.86Å; I85-L143 WeakPolarHBondContact CG2-O 3.49Å; Y87-L143 HydrophobicContact CD1-CD2 3.39Å; Y87-L143 HydrophobicContact CD2-CD2 4.34Å; Y87-L143 HydrophobicContact CE1-CD2 4Å; Y87-L143 HydrophobicContact CG-CD2 3.59Å; Y87-L143 PolarHBondContact N-O 2.94Å; I114-L143 HydrophobicContact CD1-CD1 3.57Å; L117-L143 HydrophobicContact CD1-CD1 3.82Å; A139-L143 VanDerWaalsContact O-CB 3.24Å; A139-L143 WeakPolarHBondContact O-CB 3.4Å; A139-L143 VanDerWaalsContact O-CG 3.3Å; A139-L143 WeakPolarHBondContact O-CG 3.34Å; A139-L143 PolarHBondContact O-N 3.35Å; L143-V145 HydrophobicContact CB-CG2 4.16Å
144	Q	91.1	Very high	90.8	Very high	123 Å²	123	46.2 Å²	46.2	58%	0.575	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	34	177.4	-53.9	177.4	2.3	0	0	114.6	P86 A140 C141 I142 E146	P86-Q144 HydrophobicContact CB-CB 4.08Å; P86-Q144 WeakPolarHBondContact CD-O 3.42Å; P86-Q144 HydrophobicContact CG-CB 4.03Å; P86-Q144 WeakPolarHBondContact CG-O 3.21Å; A140-Q144 CarbonylContact O-C 3.55Å; A140-Q144 WeakPolarHBondContact O-CA 3.46Å; A140-Q144 PolarHBondContact O-N 3.42Å; C141-Q144 PolarHBondContact O-N 3.45Å; I142-Q144 PolarHBondContact O-N 3.02Å; Q144-E146 VanDerWaalsContact C-N 3.34Å; Q144-E146 PolarHBondContact O-N 3.28Å; Q144-E146 VanDerWaalsContact O-N 3.14Å
145	V	93.3	Very high	90.9	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.042	22%	0.216	C	C	.	.			trans	-87.9	71.4	177.3	-167.3	0	0	0	0	110	I85 L117 F120 A140 L143 L147 V148 A149	I85-V145 HydrophobicContact CB-CG2 4.27Å; I85-V145 HydrophobicContact CD1-CG2 4.37Å; I85-V145 HydrophobicContact CG1-CG2 3.89Å; I85-V145 HydrophobicContact CG2-CG2 3.92Å; L117-V145 HydrophobicContact CD2-CB 4.46Å; L117-V145 HydrophobicContact CD2-CG1 4.43Å; F120-V145 HydrophobicContact CD1-CG1 4.38Å; F120-V145 HydrophobicContact CE1-CG1 4.13Å; A140-V145 HydrophobicContact CB-CB 4.35Å; A140-V145 PolarHBondContact O-N 2.9Å; L143-V145 HydrophobicContact CB-CG2 4.16Å; V145-L147 VanDerWaalsContact C-N 3.26Å; V145-L147 PolarHBondContact O-N 3.39Å; V145-L147 VanDerWaalsContact O-N 3.14Å; V145-V148 HydrophobicContact CB-CB 4.48Å; V145-V148 HydrophobicContact CG1-CB 4Å; V145-V148 HydrophobicContact CG1-CG2 3.73Å; V145-V148 PolarHBondContact O-N 2.9Å; V145-A149 PolarHBondContact O-N 3.38Å
146	E	90.1	Very high	90.8	Very high	88 Å²	88	42.1 Å²	42.1	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-57.8	-32.1	-168.8	-173.7	57.8	-159.9	0	0	114.4	Q144 A149 K150	Q144-E146 VanDerWaalsContact C-N 3.34Å; Q144-E146 PolarHBondContact O-N 3.28Å; Q144-E146 VanDerWaalsContact O-N 3.14Å; E146-A149 PolarHBondContact O-N 2.65Å; E146-K150 HydrophobicContact CG-CD 4.27Å; E146-K150 WeakPolarHBondContact O-CB 3.3Å; E146-K150 WeakPolarHBondContact O-CG 3.34Å; E146-K150 PolarHBondContact O-N 3.43Å; E146-K150 WeakPolarHBondContact OE1-CE 3.32Å; E146-K150 IonicContact OE1-NZ 2.94Å
147	L	91.8	Very high	90.3	Very high	133 Å²	133	47.7 Å²	47.7	70%	0.696	23%	0.231	S	C	*	.	H	α-helix	trans	-63	-43.8	176	-70.1	172.7	0	0	0	112.1	F120 V145 A151	F120-L147 HydrophobicContact CZ-CB 4.45Å; V145-L147 VanDerWaalsContact C-N 3.26Å; V145-L147 PolarHBondContact O-N 3.39Å; V145-L147 VanDerWaalsContact O-N 3.14Å; L147-A151 PolarHBondContact O-N 2.86Å; L147-A151 VanDerWaalsContact O-N 3.13Å
148	V	93	Very high	90.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-71.8	-41	176.3	175	0	0	0	0	110.2	L117 F120 L126 L136 A140 V145 K150 A151 C152	L117-V148 HydrophobicContact CD2-CB 4.05Å; L117-V148 HydrophobicContact CD2-CG1 3.77Å; L117-V148 HydrophobicContact CD2-CG2 3.97Å; F120-V148 HydrophobicContact CD1-CG2 3.6Å; F120-V148 HydrophobicContact CD2-CG2 4.09Å; F120-V148 HydrophobicContact CE1-CG2 3.59Å; F120-V148 HydrophobicContact CE2-CG2 4.08Å; F120-V148 HydrophobicContact CG-CG2 3.86Å; F120-V148 HydrophobicContact CZ-CG2 3.84Å; L126-V148 HydrophobicContact CD2-CB 4.28Å; L126-V148 HydrophobicContact CD2-CG1 3.49Å; L126-V148 VanDerWaalsContact CD2-CG1 3.49Å; L126-V148 HydrophobicContact CD2-CG2 3.98Å; L136-V148 HydrophobicContact CD1-CG1 4.48Å; L136-V148 HydrophobicContact CD2-CG1 4.32Å; L136-V148 HydrophobicContact CG-CG1 4.11Å; A140-V148 HydrophobicContact CB-CB 4.06Å; A140-V148 HydrophobicContact CB-CG1 3.87Å; V145-V148 HydrophobicContact CB-CB 4.48Å; V145-V148 HydrophobicContact CG1-CB 4Å; V145-V148 HydrophobicContact CG1-CG2 3.73Å; V145-V148 PolarHBondContact O-N 2.9Å; V148-K150 PolarHBondContact O-N 2.89Å; V148-A151 PolarHBondContact O-N 3.45Å; V148-C152 WeakPolarHBondContact O-CB 3.34Å; V148-C152 PolarHBondContact O-N 3.18Å; V148-C152 PolarHBondContact O-SG 2.96Å
149	A	89.7	Confident	90.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-29.2	177.9	0	0	0	0	0	112.7	L137 A140 V145 E146 C153 R177	L137-A149 HydrophobicContact CD1-CB 4.05Å; L137-A149 WeakPolarHBondContact CD1-O 3.39Å; A140-A149 HydrophobicContact CB-CB 3.97Å; V145-A149 PolarHBondContact O-N 3.38Å; E146-A149 PolarHBondContact O-N 2.65Å; A149-C153 PolarHBondContact O-N 2.88Å; A149-C153 PolarHBondContact O-SG 3.5Å; A149-R177 PolarHBondContact O-NH1 3.33Å
150	K	89.6	Confident	90	Very high	105 Å²	105	56.7 Å²	56.7	46%	0.457	28%	0.278	S	S	.	.	H	α-helix	trans	-74.4	-50.3	170.4	-78.7	173.5	171.6	164.8	0	112.5	E146 V148 C152 C153 E154	E146-K150 HydrophobicContact CG-CD 4.27Å; E146-K150 WeakPolarHBondContact O-CB 3.3Å; E146-K150 WeakPolarHBondContact O-CG 3.34Å; E146-K150 PolarHBondContact O-N 3.43Å; E146-K150 WeakPolarHBondContact OE1-CE 3.32Å; E146-K150 IonicContact OE1-NZ 2.94Å; V148-K150 PolarHBondContact O-N 2.89Å; K150-C152 VanDerWaalsContact C-N 3.26Å; K150-C152 PolarHBondContact O-N 3.22Å; K150-C153 WeakPolarHBondContact O-CB 3.28Å; K150-C153 PolarHBondContact O-N 3.33Å; K150-E154 PolarHBondContact O-N 2.88Å
151	A	91.7	Very high	90	Very high	34 Å²	34	61.8 Å²	61.8	28%	0.281	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-39.1	178.3	0	0	0	0	0	112.5	L128 L147 V148 E154 Y155	L128-A151 HydrophobicContact CD1-CB 4.21Å; L128-A151 WeakPolarHBondContact CD1-O 3.5Å; L147-A151 PolarHBondContact O-N 2.86Å; L147-A151 VanDerWaalsContact O-N 3.13Å; V148-A151 PolarHBondContact O-N 3.45Å; A151-E154 PolarHBondContact O-N 2.79Å; A151-Y155 PolarHBondContact O-N 2.73Å
152	C	91.3	Very high	90.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-40.9	174.7	-64.3	0	0	0	0	112.4	V133 L137 V148 K150 Y155 M156	V133-C152 HydrophobicContact CG2-CB 3.71Å; L137-C152 HydrophobicContact CB-CB 3.84Å; L137-C152 HydrophobicContact CD1-CB 4.02Å; L137-C152 HydrophobicContact CD2-CB 4.35Å; L137-C152 HydrophobicContact CG-CB 4.28Å; V148-C152 WeakPolarHBondContact O-CB 3.34Å; V148-C152 PolarHBondContact O-N 3.18Å; V148-C152 PolarHBondContact O-SG 2.96Å; K150-C152 VanDerWaalsContact C-N 3.26Å; K150-C152 PolarHBondContact O-N 3.22Å; C152-Y155 PolarHBondContact O-N 3.36Å; C152-M156 WeakPolarHBondContact O-CG 3.4Å; C152-M156 PolarHBondContact O-N 3.44Å
153	C	88.2	Confident	90.3	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-37.7	175.3	-68.2	0	0	0	0	112.7	A149 K150 M156 K157 R177	A149-C153 PolarHBondContact O-N 2.88Å; A149-C153 PolarHBondContact O-SG 3.5Å; K150-C153 WeakPolarHBondContact O-CB 3.28Å; K150-C153 PolarHBondContact O-N 3.33Å; C153-M156 PolarHBondContact O-N 2.75Å; C153-K157 WeakPolarHBondContact O-CB 3.38Å; C153-K157 PolarHBondContact O-N 3.27Å; C153-R177 VanDerWaalsContact SG-CZ 3.54Å; C153-R177 PolarHBondContact SG-NH1 3.38Å; C153-R177 PolarHBondContact SG-NH2 3.39Å; C153-R177 VanDerWaalsContact SG-NH2 3.42Å
154	E	88.8	Confident	90.3	Very high	133 Å²	133	61.8 Å²	61.8	62%	0.621	31%	0.305	S	S	*	.	H	α-helix	trans	-64.7	-40.2	174	-70.3	-179.3	169.1	0	0	111.8	K150 A151 K157 L158	K150-E154 PolarHBondContact O-N 2.88Å; A151-E154 PolarHBondContact O-N 2.79Å; E154-K157 WeakPolarHBondContact O-CB 3.5Å; E154-K157 PolarHBondContact O-N 3.06Å; E154-L158 PolarHBondContact O-N 3.34Å
155	Y	91.1	Very high	90.4	Very high	49 Å²	49	56 Å²	56	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-48.5	173.6	-175.8	-92.1	0	0	0	112	L128 T129 V130 V133 A151 C152 K157 L158 H159	L128-Y155 HydrophobicContact CB-CD1 4.29Å; L128-Y155 HydrophobicContact CB-CD2 3.73Å; L128-Y155 HydrophobicContact CB-CE2 4.09Å; L128-Y155 HydrophobicContact CB-CG 3.84Å; L128-Y155 HydrophobicContact CD1-CD2 4.45Å; L128-Y155 HydrophobicContact CD1-CG 4.16Å; T129-Y155 WeakPolarHBondContact CA-OH 3.37Å; V130-Y155 PolarHBondContact N-OH 2.72Å; V133-Y155 HydrophobicContact CB-CD1 4Å; V133-Y155 HydrophobicContact CB-CE1 4.33Å; V133-Y155 HydrophobicContact CG1-CD1 4.06Å; V133-Y155 HydrophobicContact CG1-CE1 4.18Å; V133-Y155 HydrophobicContact CG2-CD1 3.86Å; A151-Y155 PolarHBondContact O-N 2.73Å; C152-Y155 PolarHBondContact O-N 3.36Å; Y155-K157 PolarHBondContact O-N 3.3Å; Y155-L158 PolarHBondContact O-N 2.89Å; Y155-L158 VanDerWaalsContact O-N 3.12Å; Y155-H159 AromaticContact CD1-CD2 3.95Å; Y155-H159 AromaticContact CE1-CD2 3.63Å; Y155-H159 AromaticContact CE2-CD2 3.67Å; Y155-H159 AromaticContact CE2-NE2 3.55Å; Y155-H159 AromaticContact CZ-CD2 3.47Å; Y155-H159 VanDerWaalsContact CZ-CD2 3.47Å; Y155-H159 AromaticContact CZ-NE2 3.58Å; Y155-H159 PolarHBondContact O-CD2 3.03Å; Y155-H159 PolarHBondContact O-N 3.15Å
156	M	88.4	Confident	90.4	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-39.2	175.4	-74.2	-177.5	174.6	0	0	111.9	V133 Q134 L137 C152 C153 L158 H159 F160 V168 L180	V133-M156 HydrophobicContact CG1-CE 4Å; V133-M156 HydrophobicContact CG1-CG 4.26Å; V133-M156 HydrophobicContact CG2-CE 4.09Å; V133-M156 HydrophobicContact CG2-CG 4.03Å; Q134-M156 HydrophobicContact CB-CE 4.03Å; L137-M156 HydrophobicContact CB-CE 4.38Å; L137-M156 HydrophobicContact CD2-CE 3.7Å; L137-M156 HydrophobicContact CD2-SD 3.66Å; C152-M156 WeakPolarHBondContact O-CG 3.4Å; C152-M156 PolarHBondContact O-N 3.44Å; C153-M156 PolarHBondContact O-N 2.75Å; M156-L158 VanDerWaalsContact C-N 3.32Å; M156-L158 PolarHBondContact O-N 3.46Å; M156-H159 CarbonylContact O-C 3.57Å; M156-H159 PolarHBondContact O-N 3.14Å; M156-F160 PolarHBondContact O-N 3.35Å; M156-V168 HydrophobicContact SD-CG1 4.11Å; M156-L180 HydrophobicContact CB-CD1 4.24Å; M156-L180 HydrophobicContact SD-CD2 3.75Å
157	K	84.3	Confident	90.4	Very high	118 Å²	118	54.7 Å²	54.7	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-39.6	176.8	-173.3	-172	-168.6	157.6	0	113.2	C153 E154 Y155 H159 F160 M183	C153-K157 WeakPolarHBondContact O-CB 3.38Å; C153-K157 PolarHBondContact O-N 3.27Å; E154-K157 WeakPolarHBondContact O-CB 3.5Å; E154-K157 PolarHBondContact O-N 3.06Å; Y155-K157 PolarHBondContact O-N 3.3Å; K157-H159 PolarHBondContact O-N 2.87Å; K157-F160 HydrophobicContact CB-CE2 4.37Å; K157-F160 HydrophobicContact CG-CE2 4.36Å; K157-F160 WeakPolarHBondContact O-CD2 3.14Å; K157-M183 HydrophobicContact CB-SD 4.4Å; K157-M183 HydrophobicContact CD-CE 4.48Å; K157-M183 HydrophobicContact CD-SD 3.45Å; K157-M183 WeakPolarHBondContact CD-SD 3.06Å; K157-M183 WeakPolarHBondContact CE-SD 3.38Å; K157-M183 HydrophobicContact CG-SD 3.89Å; K157-M183 PolarHBondContact NZ-SD 3.46Å; K157-M183 VanDerWaalsContact NZ-SD 3.37Å
158	L	87.3	Confident	90.3	Very high	143 Å²	143	49.4 Å²	49.4	75%	0.749	26%	0.256	S	S	*	.	H	α-helix	trans	-73.9	-13.8	178.1	-67	171.2	0	0	0	113.2	E154 Y155 M156	E154-L158 PolarHBondContact O-N 3.34Å; Y155-L158 PolarHBondContact O-N 2.89Å; Y155-L158 VanDerWaalsContact O-N 3.12Å; M156-L158 VanDerWaalsContact C-N 3.32Å; M156-L158 PolarHBondContact O-N 3.46Å
159	H	88.6	Confident	90.3	Very high	95 Å²	95	49.8 Å²	49.8	44%	0.44	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	24.9	-175	-68.4	-66.4	0	0	0	113.3	Y155 M156 K157 N164	Y155-H159 AromaticContact CD1-CD2 3.95Å; Y155-H159 AromaticContact CE1-CD2 3.63Å; Y155-H159 AromaticContact CE2-CD2 3.67Å; Y155-H159 AromaticContact CE2-NE2 3.55Å; Y155-H159 AromaticContact CZ-CD2 3.47Å; Y155-H159 VanDerWaalsContact CZ-CD2 3.47Å; Y155-H159 AromaticContact CZ-NE2 3.58Å; Y155-H159 PolarHBondContact O-CD2 3.03Å; Y155-H159 PolarHBondContact O-N 3.15Å; M156-H159 CarbonylContact O-C 3.57Å; M156-H159 PolarHBondContact O-N 3.14Å; K157-H159 PolarHBondContact O-N 2.87Å; H159-N164 PolarHBondContact O-ND2 2.71Å
160	F	90.4	Very high	90.4	Very high	27 Å²	27	52.1 Å²	52.1	12%	0.118	28%	0.276	C	S	.	.			trans	-63.4	139.8	167.7	-81.2	-55.1	0	0	0	111.4	M156 K157 C165 V168 L180 M183 A184 Y187	M156-F160 PolarHBondContact O-N 3.35Å; K157-F160 HydrophobicContact CB-CE2 4.37Å; K157-F160 HydrophobicContact CG-CE2 4.36Å; K157-F160 WeakPolarHBondContact O-CD2 3.14Å; F160-C165 HydrophobicContact CD1-CB 4.04Å; F160-C165 HydrophobicContact CE1-CB 4.46Å; F160-V168 HydrophobicContact CE1-CB 4.05Å; F160-V168 HydrophobicContact CE1-CG1 3.69Å; F160-V168 HydrophobicContact CZ-CG1 4.27Å; F160-L180 HydrophobicContact CZ-CD1 3.96Å; F160-M183 HydrophobicContact CE2-CB 4.06Å; F160-M183 HydrophobicContact CZ-CB 4.38Å; F160-A184 HydrophobicContact CE1-CB 3.71Å; F160-A184 HydrophobicContact CZ-CB 3.7Å; F160-Y187 HydrophobicContact CB-CD1 4.08Å; F160-Y187 HydrophobicContact CB-CD2 3.73Å; F160-Y187 HydrophobicContact CB-CE1 4.06Å; F160-Y187 HydrophobicContact CB-CE2 3.71Å; F160-Y187 HydrophobicContact CB-CG 3.91Å; F160-Y187 HydrophobicContact CD2-CD2 4.44Å; F160-Y187 HydrophobicContact CD2-CG 4.44Å; F160-Y187 HydrophobicContact CG-CD1 4.48Å; F160-Y187 HydrophobicContact CG-CD2 4.3Å; F160-Y187 HydrophobicContact CG-CG 4.17Å; F160-Y187 PolarHBondContact O-OH 3.47Å
161	H	92.4	Very high	90.3	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.495	26%	0.259	S	S	.	.			trans	-143.4	149	177.4	-171	-102.9	0	0	0	108.6	S163 N164 C165 Y187	H161-S163 PolarHBondContact ND1-N 2.8Å; H161-S163 PolarHBondContact ND1-OG 3.24Å; H161-S163 PolarHBondContact O-N 3.38Å; H161-N164 PolarHBondContact N-OD1 3.5Å; H161-N164 PolarHBondContact O-N 3.46Å; H161-N164 PolarHBondContact O-OD1 3Å; H161-C165 PolarHBondContact O-N 2.91Å; H161-C165 VanDerWaalsContact O-N 3.07Å; H161-Y187 WeakPolarHBondContact CA-OH 3.5Å
162	P	92.7	Very high	90.2	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.045	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.1	-176.7	-28	37.7	0	0	0	114.2	Y187 H191 E194 V195	P162-Y187 WeakPolarHBondContact CD-OH 3.12Å; P162-Y187 HydrophobicContact CG-CE1 4.45Å; P162-H191 HydrophobicContact CG-CB 4.3Å; P162-E194 HydrophobicContact CB-CB 3.74Å; P162-E194 HydrophobicContact CG-CB 3.81Å; P162-V195 HydrophobicContact CB-CG2 3.9Å
163	S	91.7	Very high	90.2	Very high	54 Å²	54	50.5 Å²	50.5	38%	0.378	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-18.6	175.9	70.1	0	0	0	0	115	H161	H161-S163 PolarHBondContact ND1-N 2.8Å; H161-S163 PolarHBondContact ND1-OG 3.24Å; H161-S163 PolarHBondContact O-N 3.38Å
164	N	91	Very high	90.2	Very high	50 Å²	50	54.4 Å²	54.4	27%	0.267	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-21.7	-176.8	78.7	10.5	0	0	0	113.7	H159 H161 L166 A167 V168	H159-N164 PolarHBondContact O-ND2 2.71Å; H161-N164 PolarHBondContact N-OD1 3.5Å; H161-N164 PolarHBondContact O-N 3.46Å; H161-N164 PolarHBondContact O-OD1 3Å; N164-L166 VanDerWaalsContact C-N 3.3Å; N164-L166 PolarHBondContact O-N 3.22Å; N164-A167 PolarHBondContact O-N 2.72Å; N164-A167 VanDerWaalsContact O-N 3.1Å; N164-V168 WeakPolarHBondContact O-CG2 3.33Å; N164-V168 PolarHBondContact O-N 3.06Å
165	C	92.9	Very high	89.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-36.3	-169.1	65.2	0	0	0	0	113	F160 H161 R169 Y187	F160-C165 HydrophobicContact CD1-CB 4.04Å; F160-C165 HydrophobicContact CE1-CB 4.46Å; H161-C165 PolarHBondContact O-N 2.91Å; H161-C165 VanDerWaalsContact O-N 3.07Å; C165-R169 VanDerWaalsContact O-CB 3.28Å; C165-R169 WeakPolarHBondContact O-CB 3.48Å; C165-R169 PolarHBondContact O-N 3.06Å; C165-Y187 HydrophobicContact CB-CD1 3.63Å; C165-Y187 HydrophobicContact CB-CE1 4.16Å
166	L	93	Very high	89.6	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-42.8	176.7	-62.7	171.5	0	0	0	112	N164 R169 A170 V195 F201 V204	N164-L166 VanDerWaalsContact C-N 3.3Å; N164-L166 PolarHBondContact O-N 3.22Å; L166-R169 PolarHBondContact O-N 3.38Å; L166-A170 PolarHBondContact O-N 3.48Å; L166-V195 HydrophobicContact CD1-CG1 3.61Å; L166-V195 HydrophobicContact CD2-CG1 3.95Å; L166-V195 HydrophobicContact CG-CG1 3.79Å; L166-F201 HydrophobicContact CD1-CB 4.34Å; L166-F201 HydrophobicContact CD1-CD2 4.26Å; L166-V204 HydrophobicContact CB-CG2 4.32Å; L166-V204 HydrophobicContact CD1-CG2 3.63Å; L166-V204 HydrophobicContact CD2-CG2 4.02Å; L166-V204 HydrophobicContact CG-CG2 4.21Å
167	A	89.8	Confident	89.5	Confident	59 Å²	59	53.6 Å²	53.6	49%	0.488	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-42.5	177	0	0	0	0	0	111.8	N164 R169 A170 F171	N164-A167 PolarHBondContact O-N 2.72Å; N164-A167 VanDerWaalsContact O-N 3.1Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 3.34Å; A167-A170 PolarHBondContact O-N 3.38Å; A167-F171 WeakPolarHBondContact O-CB 3.48Å; A167-F171 PolarHBondContact O-N 3.48Å
168	V	90.8	Very high	89.7	Confident	22 Å²	22	52.6 Å²	52.6	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-39.4	174.5	175	0	0	0	0	111	M156 F160 N164 F171 A172 L180	M156-V168 HydrophobicContact SD-CG1 4.11Å; F160-V168 HydrophobicContact CE1-CB 4.05Å; F160-V168 HydrophobicContact CE1-CG1 3.69Å; F160-V168 HydrophobicContact CZ-CG1 4.27Å; N164-V168 WeakPolarHBondContact O-CG2 3.33Å; N164-V168 PolarHBondContact O-N 3.06Å; V168-F171 PolarHBondContact O-N 2.76Å; V168-A172 WeakPolarHBondContact O-CB 3.3Å; V168-A172 PolarHBondContact O-N 3Å; V168-L180 HydrophobicContact CG1-CD1 4Å; V168-L180 HydrophobicContact CG1-CD2 4.02Å; V168-L180 HydrophobicContact CG1-CG 4.07Å
169	R	92.6	Very high	89.7	Confident	9 Å²	9	50.7 Å²	50.7	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-50.1	173.5	-167.6	-73.7	-166.6	-177.7	-23.5	111	C165 L166 A167 F171 A172 E173 A184 D185 H208	C165-R169 VanDerWaalsContact O-CB 3.28Å; C165-R169 WeakPolarHBondContact O-CB 3.48Å; C165-R169 PolarHBondContact O-N 3.06Å; L166-R169 PolarHBondContact O-N 3.38Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 3.34Å; R169-F171 VanDerWaalsContact C-N 3.29Å; R169-F171 PolarHBondContact O-N 3.3Å; R169-A172 WeakPolarHBondContact O-CB 3.44Å; R169-A172 PolarHBondContact O-N 2.94Å; R169-E173 IonicContact CZ-OE1 2.8Å; R169-E173 VanDerWaalsContact CZ-OE1 3.25Å; R169-E173 IonicContact CZ-OE2 3.46Å; R169-E173 IonicContact NH1-OE1 2.72Å; R169-E173 PolarHBondContact NH1-OE1 3.46Å; R169-E173 IonicContact NH1-OE2 3.87Å; R169-E173 PolarHBondContact NH1-OE2 2.95Å; R169-E173 IonicContact NH2-OE1 2.73Å; R169-E173 PolarHBondContact NH2-OE1 3.28Å; R169-E173 IonicContact NH2-OE2 3.3Å; R169-E173 PolarHBondContact O-N 3.44Å; R169-A184 HydrophobicContact CB-CB 3.66Å; R169-A184 HydrophobicContact CG-CB 4.08Å; R169-D185 WeakPolarHBondContact CG-OD1 3.28Å; R169-D185 IonicContact NE-OD1 3.65Å; R169-D185 PolarHBondContact NE-OD1 2.82Å; R169-D185 IonicContact NE-OD2 3.25Å; R169-H208 WeakPolarHBondContact CD-CE1 3.27Å; R169-H208 WeakPolarHBondContact CD-NE2 3.33Å; R169-H208 VanDerWaalsContact CZ-CD2 3.45Å; R169-H208 PolarHBondContact NE-CD2 3.18Å; R169-H208 PolarHBondContact NE-NE2 3.05Å; R169-H208 VanDerWaalsContact NH1-CG 3.33Å
170	A	91.1	Very high	89.7	Confident	49 Å²	49	46.1 Å²	46.1	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-38.3	178.4	0	0	0	0	0	112.3	L166 A167 E173 S174	L166-A170 PolarHBondContact O-N 3.48Å; A167-A170 PolarHBondContact O-N 3.38Å; A170-E173 PolarHBondContact O-N 3.1Å; A170-S174 PolarHBondContact O-N 3.41Å; A170-S174 VanDerWaalsContact O-N 3.15Å
171	F	88.3	Confident	89.8	Confident	25 Å²	25	45.9 Å²	45.9	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-39.6	171.4	179	-86.4	0	0	0	112.4	Q134 L137 A167 V168 R169 E173 S174 H175	Q134-F171 HydrophobicContact CG-CD2 3.83Å; Q134-F171 HydrophobicContact CG-CE2 3.53Å; Q134-F171 HydrophobicContact CG-CG 4.42Å; Q134-F171 HydrophobicContact CG-CZ 3.92Å; L137-F171 HydrophobicContact CB-CE1 4.29Å; L137-F171 HydrophobicContact CB-CZ 4.47Å; L137-F171 HydrophobicContact CD2-CD1 4.42Å; L137-F171 HydrophobicContact CD2-CE1 3.7Å; L137-F171 HydrophobicContact CG-CE1 3.85Å; L137-F171 HydrophobicContact CG-CZ 4.41Å; A167-F171 WeakPolarHBondContact O-CB 3.48Å; A167-F171 PolarHBondContact O-N 3.48Å; V168-F171 PolarHBondContact O-N 2.76Å; R169-F171 VanDerWaalsContact C-N 3.29Å; R169-F171 PolarHBondContact O-N 3.3Å; F171-E173 VanDerWaalsContact C-N 3.31Å; F171-E173 PolarHBondContact O-N 3.16Å; F171-S174 PolarHBondContact O-N 3.21Å; F171-S174 PolarHBondContact O-OG 3.04Å; F171-H175 AromaticContact CD1-ND1 3.83Å; F171-H175 AromaticContact CD2-CE1 3.71Å; F171-H175 AromaticContact CD2-ND1 3.9Å; F171-H175 AromaticContact CE1-ND1 3.58Å; F171-H175 AromaticContact CE2-CE1 3.31Å; F171-H175 WeakPolarHBondContact CE2-CE1 3.42Å; F171-H175 AromaticContact CE2-ND1 3.68Å; F171-H175 AromaticContact CG-ND1 3.97Å; F171-H175 AromaticContact CZ-CE1 3.51Å; F171-H175 AromaticContact CZ-ND1 3.51Å; F171-H175 PolarHBondContact O-N 3.05Å; F171-H175 PolarHBondContact O-ND1 2.96Å
172	A	90.2	Very high	89.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-35.6	175.9	0	0	0	0	0	112	V168 R169 H175 N176 R177 L180 M181	V168-A172 WeakPolarHBondContact O-CB 3.3Å; V168-A172 PolarHBondContact O-N 3Å; R169-A172 WeakPolarHBondContact O-CB 3.44Å; R169-A172 PolarHBondContact O-N 2.94Å; A172-H175 CarbonylContact O-C 3.52Å; A172-H175 PolarHBondContact O-N 3.23Å; A172-N176 PolarHBondContact O-N 3.19Å; A172-R177 HydrophobicContact CB-CB 4.36Å; A172-R177 PolarHBondContact O-N 3.06Å; A172-L180 HydrophobicContact CB-CB 3.86Å; A172-L180 HydrophobicContact CB-CD2 3.85Å; A172-L180 HydrophobicContact CB-CG 3.81Å; A172-M181 HydrophobicContact CB-CB 4.4Å; A172-M181 HydrophobicContact CB-CG 3.49Å; A172-M181 VanDerWaalsContact CB-CG 3.49Å
173	E	90.5	Very high	89.6	Confident	81 Å²	81	46.3 Å²	46.3	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-44.9	175.6	-171.6	165.2	-114.5	0	0	112.2	R169 A170 F171 H175 N176 M181	R169-E173 IonicContact CZ-OE1 2.8Å; R169-E173 VanDerWaalsContact CZ-OE1 3.25Å; R169-E173 IonicContact CZ-OE2 3.46Å; R169-E173 IonicContact NH1-OE1 2.72Å; R169-E173 PolarHBondContact NH1-OE1 3.46Å; R169-E173 IonicContact NH1-OE2 3.87Å; R169-E173 PolarHBondContact NH1-OE2 2.95Å; R169-E173 IonicContact NH2-OE1 2.73Å; R169-E173 PolarHBondContact NH2-OE1 3.28Å; R169-E173 IonicContact NH2-OE2 3.3Å; R169-E173 PolarHBondContact O-N 3.44Å; A170-E173 PolarHBondContact O-N 3.1Å; F171-E173 VanDerWaalsContact C-N 3.31Å; F171-E173 PolarHBondContact O-N 3.16Å; E173-H175 PolarHBondContact O-N 3.37Å; E173-N176 PolarHBondContact O-N 3.17Å; E173-N176 VanDerWaalsContact O-N 3.16Å; E173-M181 HydrophobicContact CB-CE 3.77Å; E173-M181 HydrophobicContact CB-SD 4.08Å; E173-M181 HydrophobicContact CG-CE 3.8Å; E173-M181 HydrophobicContact CG-SD 4.48Å
174	S	87.9	Confident	89.7	Confident	87 Å²	87	43.8 Å²	43.8	61%	0.608	25%	0.247	S	C	*	.	H	α-helix	trans	-66.6	-19.8	177.8	62.7	0	0	0	0	114.2	A170 F171	A170-S174 PolarHBondContact O-N 3.41Å; A170-S174 VanDerWaalsContact O-N 3.15Å; F171-S174 PolarHBondContact O-N 3.21Å; F171-S174 PolarHBondContact O-OG 3.04Å
175	H	83.9	Confident	89.9	Confident	34 Å²	34	42 Å²	42	16%	0.157	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	8.7	176.1	-58.8	95.1	0	0	0	113.8	Y138 F171 A172 E173 R177	Y138-H175 AromaticContact CD2-CE1 3.91Å; Y138-H175 AromaticContact CD2-NE2 3.2Å; Y138-H175 WeakPolarHBondContact CD2-NE2 3.42Å; Y138-H175 AromaticContact CE2-NE2 3.68Å; F171-H175 AromaticContact CD1-ND1 3.83Å; F171-H175 AromaticContact CD2-CE1 3.71Å; F171-H175 AromaticContact CD2-ND1 3.9Å; F171-H175 AromaticContact CE1-ND1 3.58Å; F171-H175 AromaticContact CE2-CE1 3.31Å; F171-H175 WeakPolarHBondContact CE2-CE1 3.42Å; F171-H175 AromaticContact CE2-ND1 3.68Å; F171-H175 AromaticContact CG-ND1 3.97Å; F171-H175 AromaticContact CZ-CE1 3.51Å; F171-H175 AromaticContact CZ-ND1 3.51Å; F171-H175 PolarHBondContact O-N 3.05Å; F171-H175 PolarHBondContact O-ND1 2.96Å; A172-H175 CarbonylContact O-C 3.52Å; A172-H175 PolarHBondContact O-N 3.23Å; E173-H175 PolarHBondContact O-N 3.37Å; H175-R177 HydrophobicContact CB-CG 4.16Å; H175-R177 PolarHBondContact O-N 2.87Å
176	N	84.9	Confident	89.9	Confident	124 Å²	124	48.4 Å²	48.4	66%	0.663	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.2	-179	-162.9	35.1	0	0	0	114	A172 E173 I178	A172-N176 PolarHBondContact O-N 3.19Å; E173-N176 PolarHBondContact O-N 3.17Å; E173-N176 VanDerWaalsContact O-N 3.16Å; N176-I178 PolarHBondContact O-N 3.34Å
177	R	84.7	Confident	90	Very high	24 Å²	24	50 Å²	50	9%	0.091	27%	0.273	C	S	.	.			trans	-90.3	76.3	179.2	-67.4	-56.3	-56.5	-75.6	-1.2	110.7	A149 C153 A172 H175 D179 L180 M181	A149-R177 PolarHBondContact O-NH1 3.33Å; C153-R177 VanDerWaalsContact SG-CZ 3.54Å; C153-R177 PolarHBondContact SG-NH1 3.38Å; C153-R177 PolarHBondContact SG-NH2 3.39Å; C153-R177 VanDerWaalsContact SG-NH2 3.42Å; A172-R177 HydrophobicContact CB-CB 4.36Å; A172-R177 PolarHBondContact O-N 3.06Å; H175-R177 HydrophobicContact CB-CG 4.16Å; H175-R177 PolarHBondContact O-N 2.87Å; R177-D179 VanDerWaalsContact C-N 3.31Å; R177-D179 PolarHBondContact O-N 3.48Å; R177-L180 HydrophobicContact CB-CB 4.26Å; R177-L180 PolarHBondContact O-N 3.37Å; R177-M181 PolarHBondContact O-N 2.84Å
178	I	88.4	Confident	90.3	Very high	97 Å²	97	47.2 Å²	47.2	50%	0.497	25%	0.25	S	S	.	.	H	α-helix	trans	-49.2	-48.1	-176.3	-55.5	175.3	0	0	0	111.9	N176 L180 M181 D182	N176-I178 PolarHBondContact O-N 3.34Å; I178-L180 VanDerWaalsContact C-N 3.29Å; I178-L180 PolarHBondContact O-N 3.48Å; I178-M181 WeakPolarHBondContact O-CB 3.43Å; I178-M181 PolarHBondContact O-N 2.99Å; I178-M181 VanDerWaalsContact O-N 3.08Å; I178-D182 PolarHBondContact O-N 2.94Å
179	D	87.9	Confident	90.5	Very high	102 Å²	102	46.7 Å²	46.7	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-54.7	-42.9	179.3	-51.8	-35.7	0	0	0	112.8	R177 M183	R177-D179 VanDerWaalsContact C-N 3.31Å; R177-D179 PolarHBondContact O-N 3.48Å; D179-M183 WeakPolarHBondContact O-CB 3.36Å; D179-M183 WeakPolarHBondContact O-CE 3.26Å; D179-M183 VanDerWaalsContact O-CG 3.24Å; D179-M183 WeakPolarHBondContact O-CG 3.47Å; D179-M183 PolarHBondContact O-N 3.22Å; D179-M183 VanDerWaalsContact O-N 3.08Å
180	L	89.6	Confident	90.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75.5	-33.3	-179.6	-176.8	64.2	0	0	0	111.5	L137 M156 F160 V168 A172 R177 I178 M183 A184	L137-L180 HydrophobicContact CD2-CD2 4.03Å; M156-L180 HydrophobicContact CB-CD1 4.24Å; M156-L180 HydrophobicContact SD-CD2 3.75Å; F160-L180 HydrophobicContact CZ-CD1 3.96Å; V168-L180 HydrophobicContact CG1-CD1 4Å; V168-L180 HydrophobicContact CG1-CD2 4.02Å; V168-L180 HydrophobicContact CG1-CG 4.07Å; A172-L180 HydrophobicContact CB-CB 3.86Å; A172-L180 HydrophobicContact CB-CD2 3.85Å; A172-L180 HydrophobicContact CB-CG 3.81Å; R177-L180 HydrophobicContact CB-CB 4.26Å; R177-L180 PolarHBondContact O-N 3.37Å; I178-L180 VanDerWaalsContact C-N 3.29Å; I178-L180 PolarHBondContact O-N 3.48Å; L180-M183 HydrophobicContact CD1-CE 4.2Å; L180-A184 VanDerWaalsContact O-CB 3.29Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.24Å
181	M	91.4	Very high	90.8	Very high	22 Å²	22	51.7 Å²	51.7	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-49.9	172.1	-64	172.4	67.2	0	0	111.1	A172 E173 R177 I178 A184 D185	A172-M181 HydrophobicContact CB-CB 4.4Å; A172-M181 HydrophobicContact CB-CG 3.49Å; A172-M181 VanDerWaalsContact CB-CG 3.49Å; E173-M181 HydrophobicContact CB-CE 3.77Å; E173-M181 HydrophobicContact CB-SD 4.08Å; E173-M181 HydrophobicContact CG-CE 3.8Å; E173-M181 HydrophobicContact CG-SD 4.48Å; R177-M181 PolarHBondContact O-N 2.84Å; I178-M181 WeakPolarHBondContact O-CB 3.43Å; I178-M181 PolarHBondContact O-N 2.99Å; I178-M181 VanDerWaalsContact O-N 3.08Å; M181-A184 PolarHBondContact O-N 3.2Å; M181-D185 WeakPolarHBondContact O-CB 3.35Å; M181-D185 PolarHBondContact O-N 3.17Å
182	D	91.6	Very high	91.2	Very high	82 Å²	82	50.6 Å²	50.6	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-70.2	-34.3	-176.6	-72.6	-26.1	0	0	0	112	I178 Q186 K211	I178-D182 PolarHBondContact O-N 2.94Å; D182-Q186 VanDerWaalsContact O-CB 3.3Å; D182-Q186 WeakPolarHBondContact O-CB 3.43Å; D182-Q186 PolarHBondContact O-N 3.34Å; D182-K211 IonicContact OD1-NZ 3.06Å; D182-K211 PolarHBondContact OD1-NZ 3.24Å
183	M	90.3	Very high	91.4	Very high	41 Å²	41	52.5 Å²	52.5	20%	0.202	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-40.9	170.4	-72.3	-173.9	-62	0	0	112.5	K157 F160 D179 L180 Q186 Y187	K157-M183 HydrophobicContact CB-SD 4.4Å; K157-M183 HydrophobicContact CD-CE 4.48Å; K157-M183 HydrophobicContact CD-SD 3.45Å; K157-M183 WeakPolarHBondContact CD-SD 3.06Å; K157-M183 WeakPolarHBondContact CE-SD 3.38Å; K157-M183 HydrophobicContact CG-SD 3.89Å; K157-M183 PolarHBondContact NZ-SD 3.46Å; K157-M183 VanDerWaalsContact NZ-SD 3.37Å; F160-M183 HydrophobicContact CE2-CB 4.06Å; F160-M183 HydrophobicContact CZ-CB 4.38Å; D179-M183 WeakPolarHBondContact O-CB 3.36Å; D179-M183 WeakPolarHBondContact O-CE 3.26Å; D179-M183 VanDerWaalsContact O-CG 3.24Å; D179-M183 WeakPolarHBondContact O-CG 3.47Å; D179-M183 PolarHBondContact O-N 3.22Å; D179-M183 VanDerWaalsContact O-N 3.08Å; L180-M183 HydrophobicContact CD1-CE 4.2Å; M183-Q186 PolarHBondContact O-N 3.08Å; M183-Y187 WeakPolarHBondContact O-CB 3.3Å; M183-Y187 PolarHBondContact O-N 3.28Å
184	A	93.8	Very high	91.7	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-71.1	-37.6	177.6	0	0	0	0	0	112.3	F160 R169 L180 M181 Y187 A188	F160-A184 HydrophobicContact CE1-CB 3.71Å; F160-A184 HydrophobicContact CZ-CB 3.7Å; R169-A184 HydrophobicContact CB-CB 3.66Å; R169-A184 HydrophobicContact CG-CB 4.08Å; L180-A184 VanDerWaalsContact O-CB 3.29Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.24Å; M181-A184 PolarHBondContact O-N 3.2Å; A184-Y187 PolarHBondContact O-N 2.88Å; A184-A188 VanDerWaalsContact O-CB 3.3Å; A184-A188 WeakPolarHBondContact O-CB 3.24Å; A184-A188 PolarHBondContact O-N 3.48Å
185	D	94.1	Very high	92.1	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-38.7	173.4	-75.6	-29.1	0	0	0	111.3	R169 M181 A188 C189 H208 K211	R169-D185 WeakPolarHBondContact CG-OD1 3.28Å; R169-D185 IonicContact NE-OD1 3.65Å; R169-D185 PolarHBondContact NE-OD1 2.82Å; R169-D185 IonicContact NE-OD2 3.25Å; M181-D185 WeakPolarHBondContact O-CB 3.35Å; M181-D185 PolarHBondContact O-N 3.17Å; D185-A188 PolarHBondContact O-N 3.1Å; D185-C189 PolarHBondContact O-N 3.17Å; D185-C189 PolarHBondContact O-SG 3.42Å; D185-H208 IonicContact OD1-CD2 2.79Å; D185-H208 PolarHBondContact OD1-CD2 3.35Å; D185-H208 IonicContact OD1-CE1 3.64Å; D185-H208 IonicContact OD1-NE2 3.19Å; D185-H208 PolarHBondContact OD1-NE2 3.06Å; D185-K211 WeakPolarHBondContact OD2-CD 3.27Å; D185-K211 VanDerWaalsContact OD2-CE 3.31Å; D185-K211 WeakPolarHBondContact OD2-CE 3.48Å; D185-K211 IonicContact OD2-NZ 2.73Å; D185-K211 PolarHBondContact OD2-NZ 2.85Å
186	Q	93.4	Very high	92.6	Very high	136 Å²	136	48.7 Å²	48.7	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-63.6	-47.4	173.5	-176	176.2	12.7	0	0	111.6	D182 M183 A188 C189 E190	D182-Q186 VanDerWaalsContact O-CB 3.3Å; D182-Q186 WeakPolarHBondContact O-CB 3.43Å; D182-Q186 PolarHBondContact O-N 3.34Å; M183-Q186 PolarHBondContact O-N 3.08Å; Q186-A188 VanDerWaalsContact C-N 3.33Å; Q186-A188 PolarHBondContact O-N 3.31Å; Q186-C189 WeakPolarHBondContact O-CB 3.5Å; Q186-C189 PolarHBondContact O-N 3.31Å; Q186-C189 VanDerWaalsContact O-N 3.14Å; Q186-E190 PolarHBondContact O-N 3.2Å
187	Y	95.2	Very high	93.1	Very high	43 Å²	43	48.9 Å²	48.9	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-41.7	176.3	-174.6	-88.3	0	0	0	111.8	F160 H161 P162 C165 M183 A184 C189 E190 H191	F160-Y187 HydrophobicContact CB-CD1 4.08Å; F160-Y187 HydrophobicContact CB-CD2 3.73Å; F160-Y187 HydrophobicContact CB-CE1 4.06Å; F160-Y187 HydrophobicContact CB-CE2 3.71Å; F160-Y187 HydrophobicContact CB-CG 3.91Å; F160-Y187 HydrophobicContact CD2-CD2 4.44Å; F160-Y187 HydrophobicContact CD2-CG 4.44Å; F160-Y187 HydrophobicContact CG-CD1 4.48Å; F160-Y187 HydrophobicContact CG-CD2 4.3Å; F160-Y187 HydrophobicContact CG-CG 4.17Å; F160-Y187 PolarHBondContact O-OH 3.47Å; H161-Y187 WeakPolarHBondContact CA-OH 3.5Å; P162-Y187 WeakPolarHBondContact CD-OH 3.12Å; P162-Y187 HydrophobicContact CG-CE1 4.45Å; C165-Y187 HydrophobicContact CB-CD1 3.63Å; C165-Y187 HydrophobicContact CB-CE1 4.16Å; M183-Y187 WeakPolarHBondContact O-CB 3.3Å; M183-Y187 PolarHBondContact O-N 3.28Å; A184-Y187 PolarHBondContact O-N 2.88Å; Y187-C189 VanDerWaalsContact C-N 3.3Å; Y187-C189 PolarHBondContact O-N 3.42Å; Y187-E190 PolarHBondContact O-N 2.92Å; Y187-H191 AromaticContact CD2-CD2 3.83Å; Y187-H191 HydrophobicContact CE1-CB 4.31Å; Y187-H191 AromaticContact CE1-CD2 3.82Å; Y187-H191 AromaticContact CE2-CD2 3.43Å; Y187-H191 VanDerWaalsContact CE2-CD2 3.43Å; Y187-H191 WeakPolarHBondContact CE2-CD2 3.25Å; Y187-H191 AromaticContact CE2-NE2 3.63Å; Y187-H191 AromaticContact CZ-CD2 3.43Å; Y187-H191 VanDerWaalsContact CZ-CD2 3.43Å; Y187-H191 AromaticContact CZ-NE2 3.85Å; Y187-H191 PolarHBondContact O-N 2.74Å
188	A	95.8	Very high	93.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-28.3	175.7	0	0	0	0	0	113.3	A184 D185 Q186 F192 L212	A184-A188 VanDerWaalsContact O-CB 3.3Å; A184-A188 WeakPolarHBondContact O-CB 3.24Å; A184-A188 PolarHBondContact O-N 3.48Å; D185-A188 PolarHBondContact O-N 3.1Å; Q186-A188 VanDerWaalsContact C-N 3.33Å; Q186-A188 PolarHBondContact O-N 3.31Å; A188-F192 WeakPolarHBondContact O-CA 3.41Å; A188-F192 WeakPolarHBondContact O-CB 3.37Å; A188-F192 PolarHBondContact O-N 3.16Å; A188-L212 HydrophobicContact CB-CD1 3.98Å
189	C	95.8	Very high	93.6	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-71.1	-41.7	169.9	-67.4	0	0	0	0	111.7	D185 Q186 Y187 S215 L218 N219	D185-C189 PolarHBondContact O-N 3.17Å; D185-C189 PolarHBondContact O-SG 3.42Å; Q186-C189 WeakPolarHBondContact O-CB 3.5Å; Q186-C189 PolarHBondContact O-N 3.31Å; Q186-C189 VanDerWaalsContact O-N 3.14Å; Y187-C189 VanDerWaalsContact C-N 3.3Å; Y187-C189 PolarHBondContact O-N 3.42Å; C189-S215 PolarHBondContact SG-OG 2.97Å; C189-S215 VanDerWaalsContact SG-OG 3.38Å; C189-L218 HydrophobicContact CB-CD2 4.23Å; C189-N219 VanDerWaalsContact O-CB 3.31Å; C189-N219 WeakPolarHBondContact O-CB 3.45Å; C189-N219 PolarHBondContact O-N 3.4Å
190	E	94	Very high	93.6	Very high	114 Å²	114	52 Å²	52	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-69.1	-38.8	-178.9	-174	165.4	-165	0	0	112.8	Q186 Y187 N219	Q186-E190 PolarHBondContact O-N 3.2Å; Y187-E190 PolarHBondContact O-N 2.92Å; E190-N219 VanDerWaalsContact O-CB 3.22Å; E190-N219 WeakPolarHBondContact O-CB 3.45Å; E190-N219 PolarHBondContact O-ND2 2.91Å
191	H	95.2	Very high	93.9	Very high	48 Å²	48	52 Å²	52	22%	0.222	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	24.9	179.9	-68.2	-81.7	0	0	0	113.5	P162 Y187 A193 E194 V195	P162-H191 HydrophobicContact CG-CB 4.3Å; Y187-H191 AromaticContact CD2-CD2 3.83Å; Y187-H191 HydrophobicContact CE1-CB 4.31Å; Y187-H191 AromaticContact CE1-CD2 3.82Å; Y187-H191 AromaticContact CE2-CD2 3.43Å; Y187-H191 VanDerWaalsContact CE2-CD2 3.43Å; Y187-H191 WeakPolarHBondContact CE2-CD2 3.25Å; Y187-H191 AromaticContact CE2-NE2 3.63Å; Y187-H191 AromaticContact CZ-CD2 3.43Å; Y187-H191 VanDerWaalsContact CZ-CD2 3.43Å; Y187-H191 AromaticContact CZ-NE2 3.85Å; Y187-H191 PolarHBondContact O-N 2.74Å; H191-A193 VanDerWaalsContact C-N 3.29Å; H191-A193 PolarHBondContact O-N 2.92Å; H191-A193 VanDerWaalsContact O-N 3.08Å; H191-E194 IonicContact CE1-OE1 2.66Å; H191-E194 IonicContact CG-OE1 2.73Å; H191-E194 IonicContact ND1-OE1 3.63Å; H191-E194 PolarHBondContact ND1-OE1 3.23Å; H191-E194 PolarHBondContact O-N 3.16Å; H191-V195 HydrophobicContact CB-CG2 4.23Å; H191-V195 WeakPolarHBondContact O-CG2 3.49Å; H191-V195 PolarHBondContact O-N 3Å
192	F	96.6	Very high	93.9	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-50.2	-41.9	-168.4	-178.9	-103.8	0	0	0	114.8	A188 V195 V196 L212 L213 L218 I220 A229	A188-F192 WeakPolarHBondContact O-CA 3.41Å; A188-F192 WeakPolarHBondContact O-CB 3.37Å; A188-F192 PolarHBondContact O-N 3.16Å; F192-V195 PolarHBondContact O-N 3.38Å; F192-V196 HydrophobicContact CD1-CG2 4.2Å; F192-V196 HydrophobicContact CD2-CG2 4.15Å; F192-V196 HydrophobicContact CE1-CG2 3.83Å; F192-V196 HydrophobicContact CE2-CG2 3.77Å; F192-V196 HydrophobicContact CG-CG2 4.37Å; F192-V196 HydrophobicContact CZ-CG2 3.61Å; F192-V196 WeakPolarHBondContact O-CB 3.42Å; F192-V196 WeakPolarHBondContact O-CG2 3.32Å; F192-V196 PolarHBondContact O-N 2.99Å; F192-L212 HydrophobicContact CD2-CD1 4.43Å; F192-L212 HydrophobicContact CD2-CD2 4.29Å; F192-L212 HydrophobicContact CD2-CG 4.34Å; F192-L212 HydrophobicContact CE2-CD2 4.1Å; F192-L212 HydrophobicContact CE2-CG 4.17Å; F192-L213 HydrophobicContact CE2-CD2 3.93Å; F192-L213 HydrophobicContact CZ-CD2 3.73Å; F192-L218 HydrophobicContact CB-CD2 4.4Å; F192-L218 HydrophobicContact CD2-CD2 3.65Å; F192-L218 HydrophobicContact CE2-CD1 4.36Å; F192-L218 HydrophobicContact CE2-CD2 4.08Å; F192-L218 HydrophobicContact CG-CD2 4.05Å; F192-L218 HydrophobicContact CZ-CD1 4.4Å; F192-I220 HydrophobicContact CD1-CG2 3.6Å; F192-I220 HydrophobicContact CE1-CG2 4.04Å; F192-I220 HydrophobicContact CG-CG2 4.5Å; F192-A229 HydrophobicContact CE1-CB 4.23Å; F192-A229 HydrophobicContact CZ-CB 3.73Å
193	A	95.1	Very high	93.9	Very high	41 Å²	41	54.1 Å²	54.1	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-47	178.4	0	0	0	0	0	112.5	H191 V196 D197	H191-A193 VanDerWaalsContact C-N 3.29Å; H191-A193 PolarHBondContact O-N 2.92Å; H191-A193 VanDerWaalsContact O-N 3.08Å; A193-V196 PolarHBondContact O-N 3.49Å; A193-D197 PolarHBondContact O-N 3.46Å
194	E	95.8	Very high	94	Very high	105 Å²	105	52.7 Å²	52.7	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-39.2	179	-58.4	172.1	-106.5	0	0	111.2	P162 H191 D197 C198	P162-E194 HydrophobicContact CB-CB 3.74Å; P162-E194 HydrophobicContact CG-CB 3.81Å; H191-E194 IonicContact CE1-OE1 2.66Å; H191-E194 IonicContact CG-OE1 2.73Å; H191-E194 IonicContact ND1-OE1 3.63Å; H191-E194 PolarHBondContact ND1-OE1 3.23Å; H191-E194 PolarHBondContact O-N 3.16Å; E194-D197 PolarHBondContact O-N 3.43Å; E194-C198 PolarHBondContact O-N 3.45Å; E194-C198 PolarHBondContact O-SG 3.11Å
195	V	96.2	Very high	94	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-41.1	177.1	174.4	0	0	0	0	111.5	P162 L166 H191 F192 D197 C198 F201	P162-V195 HydrophobicContact CB-CG2 3.9Å; L166-V195 HydrophobicContact CD1-CG1 3.61Å; L166-V195 HydrophobicContact CD2-CG1 3.95Å; L166-V195 HydrophobicContact CG-CG1 3.79Å; H191-V195 HydrophobicContact CB-CG2 4.23Å; H191-V195 WeakPolarHBondContact O-CG2 3.49Å; H191-V195 PolarHBondContact O-N 3Å; F192-V195 PolarHBondContact O-N 3.38Å; V195-D197 VanDerWaalsContact C-N 3.3Å; V195-D197 PolarHBondContact O-N 3.23Å; V195-C198 WeakPolarHBondContact O-CB 3.44Å; V195-C198 PolarHBondContact O-N 3.31Å; V195-F201 HydrophobicContact CG1-CD2 4.49Å
196	V	95.8	Very high	93.9	Very high	16 Å²	16	54.9 Å²	54.9	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-33.6	177	167.1	0	0	0	0	111.7	F192 A193 F201 A229 K232	F192-V196 HydrophobicContact CD1-CG2 4.2Å; F192-V196 HydrophobicContact CD2-CG2 4.15Å; F192-V196 HydrophobicContact CE1-CG2 3.83Å; F192-V196 HydrophobicContact CE2-CG2 3.77Å; F192-V196 HydrophobicContact CG-CG2 4.37Å; F192-V196 HydrophobicContact CZ-CG2 3.61Å; F192-V196 WeakPolarHBondContact O-CB 3.42Å; F192-V196 WeakPolarHBondContact O-CG2 3.32Å; F192-V196 PolarHBondContact O-N 2.99Å; A193-V196 PolarHBondContact O-N 3.49Å; V196-F201 HydrophobicContact CG1-CE1 4.49Å; V196-F201 HydrophobicContact CG2-CD2 4.16Å; V196-F201 HydrophobicContact CG2-CE1 4.47Å; V196-F201 HydrophobicContact CG2-CE2 3.73Å; V196-F201 HydrophobicContact CG2-CZ 3.91Å; V196-A229 HydrophobicContact CB-CB 4.41Å; V196-A229 HydrophobicContact CG1-CB 3.8Å; V196-A229 HydrophobicContact CG2-CB 3.61Å; V196-K232 HydrophobicContact CG1-CD 4.43Å; V196-K232 PolarHBondContact O-NZ 3.42Å
197	D	95	Very high	93.9	Very high	128 Å²	128	53.5 Å²	53.5	68%	0.684	29%	0.288	S	S	*	.	H	α-helix	trans	-72.9	-26.2	178.6	-77.6	-21.4	0	0	0	113.6	A193 E194 V195 K232	A193-D197 PolarHBondContact O-N 3.46Å; E194-D197 PolarHBondContact O-N 3.43Å; V195-D197 VanDerWaalsContact C-N 3.3Å; V195-D197 PolarHBondContact O-N 3.23Å; D197-K232 PolarHBondContact O-NZ 3.27Å
198	C	94.6	Very high	93.8	Very high	25 Å²	25	51.7 Å²	51.7	17%	0.169	28%	0.281	C	S	.	.	S	Bend	trans	-57.5	150.9	175.7	-62.8	0	0	0	0	113.3	E194 V195 F201	E194-C198 PolarHBondContact O-N 3.45Å; E194-C198 PolarHBondContact O-SG 3.11Å; V195-C198 WeakPolarHBondContact O-CB 3.44Å; V195-C198 PolarHBondContact O-N 3.31Å; C198-F201 WeakPolarHBondContact O-CB 3.27Å
199	E	88.5	Confident	93.8	Very high	179 Å²	179	51.6 Å²	51.6	84%	0.836	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-67.2	-40.6	180	-62	-171.8	167.7	0	0	112	F201 V202	E199-F201 PolarHBondContact O-N 3.02Å; E199-F201 VanDerWaalsContact O-N 3.08Å; E199-V202 PolarHBondContact O-N 3.18Å
200	D	88.9	Confident	93.8	Very high	84 Å²	84	54.1 Å²	54.1	45%	0.449	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63	-17.2	-178.4	-67.2	-40.6	0	0	0	114.3	V202 S203	D200-V202 PolarHBondContact O-N 3.22Å; D200-S203 WeakPolarHBondContact O-CB 3.39Å; D200-S203 PolarHBondContact O-N 2.86Å
201	F	94.1	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.2	176.9	-178.4	-97.8	0	0	0	112.7	L166 V195 V196 C198 E199 S203 V204 L209 L212 A229 K232 W233	L166-F201 HydrophobicContact CD1-CB 4.34Å; L166-F201 HydrophobicContact CD1-CD2 4.26Å; V195-F201 HydrophobicContact CG1-CD2 4.49Å; V196-F201 HydrophobicContact CG1-CE1 4.49Å; V196-F201 HydrophobicContact CG2-CD2 4.16Å; V196-F201 HydrophobicContact CG2-CE1 4.47Å; V196-F201 HydrophobicContact CG2-CE2 3.73Å; V196-F201 HydrophobicContact CG2-CZ 3.91Å; C198-F201 WeakPolarHBondContact O-CB 3.27Å; E199-F201 PolarHBondContact O-N 3.02Å; E199-F201 VanDerWaalsContact O-N 3.08Å; F201-S203 VanDerWaalsContact C-N 3.27Å; F201-S203 PolarHBondContact O-N 2.95Å; F201-V204 WeakPolarHBondContact O-CB 3.46Å; F201-V204 VanDerWaalsContact O-CG2 3.28Å; F201-V204 WeakPolarHBondContact O-CG2 3.38Å; F201-V204 PolarHBondContact O-N 3.08Å; F201-L209 HydrophobicContact CE2-CD1 3.96Å; F201-L209 HydrophobicContact CZ-CD1 3.62Å; F201-L212 HydrophobicContact CE2-CD2 4.49Å; F201-A229 HydrophobicContact CE1-CB 4.33Å; F201-A229 WeakPolarHBondContact CE1-O 3.13Å; F201-A229 HydrophobicContact CZ-CB 3.97Å; F201-K232 HydrophobicContact CD1-CD 4.34Å; F201-W233 HydrophobicContact CE1-CB 4.07Å
202	V	92.7	Very high	93.9	Very high	50 Å²	50	50.3 Å²	50.3	30%	0.303	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-66.4	-29.1	177.2	163.5	0	0	0	0	112.5	E199 D200 V204 W233 A236	E199-V202 PolarHBondContact O-N 3.18Å; D200-V202 PolarHBondContact O-N 3.22Å; V202-V204 VanDerWaalsContact C-N 3.35Å; V202-W233 PolarHBondContact O-NE1 2.99Å; V202-A236 HydrophobicContact CB-CB 4.24Å; V202-A236 HydrophobicContact CG1-CB 3.39Å; V202-A236 HydrophobicContact CG2-CB 3.88Å
203	S	90.8	Very high	93.9	Very high	100 Å²	100	50.2 Å²	50.2	70%	0.699	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-88.4	-0.7	-175.6	-57.5	0	0	0	0	113.5	D200 F201	D200-S203 WeakPolarHBondContact O-CB 3.39Å; D200-S203 PolarHBondContact O-N 2.86Å; F201-S203 VanDerWaalsContact C-N 3.27Å; F201-S203 PolarHBondContact O-N 2.95Å
204	V	93.2	Very high	94	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	27%	0.272	C	S	.	.			trans	-62.8	139.6	179.7	176.3	0	0	0	0	110.9	L166 F201 V202 H208 L209 W233	L166-V204 HydrophobicContact CB-CG2 4.32Å; L166-V204 HydrophobicContact CD1-CG2 3.63Å; L166-V204 HydrophobicContact CD2-CG2 4.02Å; L166-V204 HydrophobicContact CG-CG2 4.21Å; F201-V204 WeakPolarHBondContact O-CB 3.46Å; F201-V204 VanDerWaalsContact O-CG2 3.28Å; F201-V204 WeakPolarHBondContact O-CG2 3.38Å; F201-V204 PolarHBondContact O-N 3.08Å; V202-V204 VanDerWaalsContact C-N 3.35Å; V204-H208 HydrophobicContact CG1-CB 3.73Å; V204-L209 HydrophobicContact CG1-CB 4.06Å; V204-W233 PolarHBondContact O-NE1 2.91Å
205	S	92.5	Very high	94	Very high	43 Å²	43	47 Å²	47	30%	0.301	26%	0.258	S	S	.	.			trans	-66.8	148.4	178.4	70	0	0	0	0	111.7	Q207 H208 L209	S205-Q207 PolarHBondContact O-N 2.82Å; S205-H208 PolarHBondContact O-N 2.91Å; S205-H208 VanDerWaalsContact O-N 3.1Å; S205-H208 VanDerWaalsContact OG-CB 3.29Å; S205-H208 WeakPolarHBondContact OG-CB 3.22Å; S205-H208 PolarHBondContact OG-N 3.47Å; S205-L209 PolarHBondContact O-N 3.35Å
206	P	92.8	Very high	93.9	Very high	15 Å²	15	48.3 Å²	48.3	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-55.6	-39.5	-179.3	-22.7	30.2	0	0	0	113.1	L209 H210 W233 W244	P206-L209 PolarHBondContact O-N 3.27Å; P206-H210 WeakPolarHBondContact O-CB 3.49Å; P206-H210 PolarHBondContact O-N 3.33Å; P206-W233 HydrophobicContact CB-CH2 3.89Å; P206-W233 HydrophobicContact CB-CZ2 4.14Å; P206-W233 HydrophobicContact CG-CH2 3.84Å; P206-W233 HydrophobicContact CG-CZ2 3.86Å; P206-W244 HydrophobicContact CB-CD2 3.48Å; P206-W244 VanDerWaalsContact CB-CD2 3.48Å; P206-W244 HydrophobicContact CB-CE3 3.85Å; P206-W244 HydrophobicContact CB-CG 3.81Å; P206-W244 HydrophobicContact CB-CH2 4.43Å; P206-W244 HydrophobicContact CB-CZ2 4.1Å; P206-W244 HydrophobicContact CB-CZ3 4.31Å; P206-W244 HydrophobicContact CG-CD2 4.03Å; P206-W244 HydrophobicContact CG-CG 4.17Å; P206-W244 HydrophobicContact CG-CZ2 4.2Å
207	Q	92.8	Very high	93.9	Very high	108 Å²	108	51.1 Å²	51.1	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-39.9	179.1	-64	77.4	10.3	0	0	112	S205 K211 W244	S205-Q207 PolarHBondContact O-N 2.82Å; Q207-K211 PolarHBondContact O-N 2.84Å; Q207-W244 VanDerWaalsContact NE2-CH2 3.33Å
208	H	93.6	Very high	93.9	Very high	4 Å²	4	45 Å²	45	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-47	176.3	-173.7	-169.5	0	0	0	110.8	R169 D185 V204 S205 H210 K211 L212	R169-H208 WeakPolarHBondContact CD-CE1 3.27Å; R169-H208 WeakPolarHBondContact CD-NE2 3.33Å; R169-H208 VanDerWaalsContact CZ-CD2 3.45Å; R169-H208 PolarHBondContact NE-CD2 3.18Å; R169-H208 PolarHBondContact NE-NE2 3.05Å; R169-H208 VanDerWaalsContact NH1-CG 3.33Å; D185-H208 IonicContact OD1-CD2 2.79Å; D185-H208 PolarHBondContact OD1-CD2 3.35Å; D185-H208 IonicContact OD1-CE1 3.64Å; D185-H208 IonicContact OD1-NE2 3.19Å; D185-H208 PolarHBondContact OD1-NE2 3.06Å; V204-H208 HydrophobicContact CG1-CB 3.73Å; S205-H208 PolarHBondContact O-N 2.91Å; S205-H208 VanDerWaalsContact O-N 3.1Å; S205-H208 VanDerWaalsContact OG-CB 3.29Å; S205-H208 WeakPolarHBondContact OG-CB 3.22Å; S205-H208 PolarHBondContact OG-N 3.47Å; H208-H210 VanDerWaalsContact C-N 3.3Å; H208-H210 PolarHBondContact O-N 2.9Å; H208-K211 PolarHBondContact O-N 2.71Å; H208-K211 VanDerWaalsContact O-N 3.15Å; H208-L212 WeakPolarHBondContact O-CB 3.13Å; H208-L212 PolarHBondContact O-N 2.86Å
209	L	95.7	Very high	93.9	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-41.9	177.4	-176.2	66.5	0	0	0	111.4	F201 V204 S205 P206 L212 L213 W233 I248	F201-L209 HydrophobicContact CE2-CD1 3.96Å; F201-L209 HydrophobicContact CZ-CD1 3.62Å; V204-L209 HydrophobicContact CG1-CB 4.06Å; S205-L209 PolarHBondContact O-N 3.35Å; P206-L209 PolarHBondContact O-N 3.27Å; L209-L212 PolarHBondContact O-N 2.97Å; L209-L213 HydrophobicContact CD1-CD1 3.79Å; L209-L213 HydrophobicContact CD1-CD2 4.23Å; L209-L213 HydrophobicContact CD1-CG 3.79Å; L209-L213 HydrophobicContact CD2-CD1 4.23Å; L209-L213 HydrophobicContact CG-CD1 3.73Å; L209-L213 HydrophobicContact CG-CG 4.07Å; L209-L213 WeakPolarHBondContact O-CB 3.2Å; L209-L213 WeakPolarHBondContact O-CG 3.4Å; L209-L213 PolarHBondContact O-N 3.45Å; L209-W233 HydrophobicContact CD2-CB 3.75Å; L209-W233 HydrophobicContact CD2-CD2 3.28Å; L209-W233 HydrophobicContact CD2-CE3 3.56Å; L209-W233 HydrophobicContact CD2-CG 3.37Å; L209-W233 HydrophobicContact CD2-CZ2 4.46Å; L209-W233 HydrophobicContact CD2-CZ3 4.27Å; L209-I248 HydrophobicContact CB-CD1 4.21Å; L209-I248 HydrophobicContact CD2-CD1 3.94Å; L209-I248 HydrophobicContact CD2-CG1 4.45Å; L209-I248 HydrophobicContact CD2-CG2 4.2Å; L209-I248 HydrophobicContact CG-CD1 4.03Å
210	H	95.9	Very high	94.2	Very high	64 Å²	64	38.7 Å²	38.7	30%	0.296	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-49.6	173.5	-178.6	-65.1	0	0	0	111.6	P206 H208 L212 S214 I248 Q251	P206-H210 WeakPolarHBondContact O-CB 3.49Å; P206-H210 PolarHBondContact O-N 3.33Å; H208-H210 VanDerWaalsContact C-N 3.3Å; H208-H210 PolarHBondContact O-N 2.9Å; H210-L212 PolarHBondContact O-N 3.14Å; H210-S214 VanDerWaalsContact O-CB 3.28Å; H210-S214 WeakPolarHBondContact O-CB 3.41Å; H210-S214 PolarHBondContact O-N 2.81Å; H210-S214 PolarHBondContact O-OG 2.79Å; H210-I248 HydrophobicContact CB-CD1 4.09Å; H210-Q251 PolarHBondContact NE2-NE2 3.25Å
211	K	95	Very high	94.3	Very high	79 Å²	79	41.4 Å²	41.4	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-57.2	-49.2	176.7	-170.6	-173.3	177.4	-165.8	0	110.4	D182 D185 Q207 H208 S214 S215	D182-K211 IonicContact OD1-NZ 3.06Å; D182-K211 PolarHBondContact OD1-NZ 3.24Å; D185-K211 WeakPolarHBondContact OD2-CD 3.27Å; D185-K211 VanDerWaalsContact OD2-CE 3.31Å; D185-K211 WeakPolarHBondContact OD2-CE 3.48Å; D185-K211 IonicContact OD2-NZ 2.73Å; D185-K211 PolarHBondContact OD2-NZ 2.85Å; Q207-K211 PolarHBondContact O-N 2.84Å; H208-K211 PolarHBondContact O-N 2.71Å; H208-K211 VanDerWaalsContact O-N 3.15Å; K211-S214 PolarHBondContact O-N 3.45Å; K211-S214 PolarHBondContact O-OG 3.47Å; K211-S215 PolarHBondContact O-N 2.82Å
212	L	96.4	Very high	94.3	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-53.6	-178.9	-177.8	62	0	0	0	112	A188 F192 F201 H208 L209 H210 S214 S215 L218	A188-L212 HydrophobicContact CB-CD1 3.98Å; F192-L212 HydrophobicContact CD2-CD1 4.43Å; F192-L212 HydrophobicContact CD2-CD2 4.29Å; F192-L212 HydrophobicContact CD2-CG 4.34Å; F192-L212 HydrophobicContact CE2-CD2 4.1Å; F192-L212 HydrophobicContact CE2-CG 4.17Å; F201-L212 HydrophobicContact CE2-CD2 4.49Å; H208-L212 WeakPolarHBondContact O-CB 3.13Å; H208-L212 PolarHBondContact O-N 2.86Å; L209-L212 PolarHBondContact O-N 2.97Å; H210-L212 PolarHBondContact O-N 3.14Å; L212-S214 VanDerWaalsContact C-N 3.29Å; L212-S214 PolarHBondContact O-N 2.9Å; L212-S215 WeakPolarHBondContact O-CB 3.45Å; L212-S215 PolarHBondContact O-N 3.46Å; L212-S215 VanDerWaalsContact O-N 3.14Å; L212-L218 HydrophobicContact CD1-CD2 3.97Å; L212-L218 HydrophobicContact CG-CD2 4.42Å
213	L	96.9	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-24.3	-177.9	-61.4	179.8	0	0	0	113.2	F192 L209 S215 V226 A229 A230 I248 Q251 R309	F192-L213 HydrophobicContact CE2-CD2 3.93Å; F192-L213 HydrophobicContact CZ-CD2 3.73Å; L209-L213 HydrophobicContact CD1-CD1 3.79Å; L209-L213 HydrophobicContact CD1-CD2 4.23Å; L209-L213 HydrophobicContact CD1-CG 3.79Å; L209-L213 HydrophobicContact CD2-CD1 4.23Å; L209-L213 HydrophobicContact CG-CD1 3.73Å; L209-L213 HydrophobicContact CG-CG 4.07Å; L209-L213 WeakPolarHBondContact O-CB 3.2Å; L209-L213 WeakPolarHBondContact O-CG 3.4Å; L209-L213 PolarHBondContact O-N 3.45Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 3.25Å; L213-V226 HydrophobicContact CB-CG1 4.45Å; L213-V226 HydrophobicContact CD2-CG1 3.79Å; L213-A229 HydrophobicContact CD2-CB 4.48Å; L213-A230 HydrophobicContact CD1-CB 3.99Å; L213-I248 HydrophobicContact CD1-CG2 3.95Å; L213-Q251 HydrophobicContact CB-CB 3.64Å; L213-Q251 HydrophobicContact CB-CG 4.34Å; L213-R309 PolarHBondContact O-NH1 2.75Å; L213-R309 PolarHBondContact O-NH2 3.21Å
214	S	96.3	Very high	94.7	Very high	50 Å²	50	40.7 Å²	40.7	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-70.1	-23.4	173.7	76.3	0	0	0	0	113.3	H210 K211 L212 S216 Q251	H210-S214 VanDerWaalsContact O-CB 3.28Å; H210-S214 WeakPolarHBondContact O-CB 3.41Å; H210-S214 PolarHBondContact O-N 2.81Å; H210-S214 PolarHBondContact O-OG 2.79Å; K211-S214 PolarHBondContact O-N 3.45Å; K211-S214 PolarHBondContact O-OG 3.47Å; L212-S214 VanDerWaalsContact C-N 3.29Å; L212-S214 PolarHBondContact O-N 2.9Å; S214-S216 PolarHBondContact O-N 3.14Å; S214-Q251 VanDerWaalsContact CB-OE1 3.28Å
215	S	96.2	Very high	94.9	Very high	27 Å²	27	42.6 Å²	42.6	19%	0.189	22%	0.221	C	C	.	.			trans	-59	130.8	-172.3	-178.7	0	0	0	0	113.4	C189 K211 L212 L213 D217 R309	C189-S215 PolarHBondContact SG-OG 2.97Å; C189-S215 VanDerWaalsContact SG-OG 3.38Å; K211-S215 PolarHBondContact O-N 2.82Å; L212-S215 WeakPolarHBondContact O-CB 3.45Å; L212-S215 PolarHBondContact O-N 3.46Å; L212-S215 VanDerWaalsContact O-N 3.14Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 3.25Å; S215-D217 PolarHBondContact O-N 3.02Å; S215-D217 PolarHBondContact OG-N 2.92Å; S215-R309 PolarHBondContact O-NH1 2.95Å
216	S	94.7	Very high	95.1	Very high	28 Å²	28	40.5 Å²	40.5	20%	0.196	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.2	173.2	-66.3	0	0	0	0	113.3	S214 R253 K310	S214-S216 PolarHBondContact O-N 3.14Å; S216-R253 PolarHBondContact OG-NH2 2.99Å; S216-K310 PolarHBondContact O-N 3.32Å
217	D	95.1	Very high	95.3	Very high	76 Å²	76	40 Å²	40	41%	0.406	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	5.8	-173.3	-69.9	-77.6	0	0	0	113.5	S215 N219 K310	S215-D217 PolarHBondContact O-N 3.02Å; S215-D217 PolarHBondContact OG-N 2.92Å; D217-N219 PolarHBondContact O-N 3.16Å; D217-K310 VanDerWaalsContact OD1-CD 3.27Å; D217-K310 WeakPolarHBondContact OD1-CD 3.49Å; D217-K310 WeakPolarHBondContact OD1-CE 3.35Å; D217-K310 IonicContact OD1-NZ 3.5Å; D217-K310 PolarHBondContact OD1-NZ 3.37Å; D217-K310 IonicContact OD2-NZ 3.71Å; D217-K310 PolarHBondContact OD2-NZ 3.01Å
218	L	95.8	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.			trans	-57.2	125.8	174.4	-64.3	-179.5	0	0	0	111.6	C189 F192 L212 I220 V226	C189-L218 HydrophobicContact CB-CD2 4.23Å; F192-L218 HydrophobicContact CB-CD2 4.4Å; F192-L218 HydrophobicContact CD2-CD2 3.65Å; F192-L218 HydrophobicContact CE2-CD1 4.36Å; F192-L218 HydrophobicContact CE2-CD2 4.08Å; F192-L218 HydrophobicContact CG-CD2 4.05Å; F192-L218 HydrophobicContact CZ-CD1 4.4Å; L212-L218 HydrophobicContact CD1-CD2 3.97Å; L212-L218 HydrophobicContact CG-CD2 4.42Å; L218-I220 HydrophobicContact CB-CG2 4.21Å; L218-I220 PolarHBondContact O-N 3.44Å; L218-I220 VanDerWaalsContact O-N 3.09Å; L218-V226 HydrophobicContact CD1-CG1 4.46Å; L218-V226 HydrophobicContact CD1-CG2 4.08Å
219	N	94.5	Very high	95.7	Very high	67 Å²	67	38.9 Å²	38.9	36%	0.358	20%	0.2	S	C	.	.			trans	-78.8	89.4	172.6	-174.3	21	0	0	0	109.8	C189 E190 D217 Q311	C189-N219 VanDerWaalsContact O-CB 3.31Å; C189-N219 WeakPolarHBondContact O-CB 3.45Å; C189-N219 PolarHBondContact O-N 3.4Å; E190-N219 VanDerWaalsContact O-CB 3.22Å; E190-N219 WeakPolarHBondContact O-CB 3.45Å; E190-N219 PolarHBondContact O-ND2 2.91Å; D217-N219 PolarHBondContact O-N 3.16Å; N219-Q311 PolarHBondContact OD1-NE2 3.34Å
220	I	94.4	Very high	95.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	20%	0.2	C	C	.	.			trans	-128.7	152	178.4	61.5	175.3	0	0	0	110.5	F192 L218 Q225 V226 Q311 T312	F192-I220 HydrophobicContact CD1-CG2 3.6Å; F192-I220 HydrophobicContact CE1-CG2 4.04Å; F192-I220 HydrophobicContact CG-CG2 4.5Å; L218-I220 HydrophobicContact CB-CG2 4.21Å; L218-I220 PolarHBondContact O-N 3.44Å; L218-I220 VanDerWaalsContact O-N 3.09Å; I220-Q225 HydrophobicContact CG2-CB 4.19Å; I220-V226 HydrophobicContact CD1-CG2 3.47Å; I220-V226 VanDerWaalsContact CD1-CG2 3.47Å; I220-V226 HydrophobicContact CG2-CG2 4.24Å; I220-Q311 WeakPolarHBondContact O-CG 3.18Å; I220-T312 HydrophobicContact CD1-CG2 4.26Å; I220-T312 HydrophobicContact CG1-CG2 3.79Å; I220-T312 WeakPolarHBondContact O-CG2 3.27Å
221	E	91.8	Very high	95.7	Very high	141 Å²	141	36.7 Å²	36.7	66%	0.659	19%	0.19	S	C	*	.	S	Bend	trans	-77.9	-36.2	168.5	-58.3	-176.1	162.7	0	0	111.3
222	N	93	Very high	95.7	Very high	54 Å²	54	36.7 Å²	36.7	29%	0.289	19%	0.19	S	C	.	.	S	Bend	trans	-162.6	157.8	-178	63.9	91.9	0	0	0	112.3	K224 Q225	N222-K224 PolarHBondContact O-N 3.42Å; N222-K224 WeakPolarHBondContact OD1-CB 3.42Å; N222-K224 WeakPolarHBondContact OD1-CD 3.37Å; N222-K224 WeakPolarHBondContact OD1-CG 3.43Å; N222-K224 PolarHBondContact OD1-N 3.3Å; N222-Q225 PolarHBondContact O-N 3.29Å; N222-Q225 VanDerWaalsContact O-N 3.11Å
223	E	95.8	Very high	95.6	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.047	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.5	-173.9	-164.2	64.2	-163.2	0	0	114.3	Q225 V226 Y227 V252 R253 L257 R309	E223-Q225 PolarHBondContact O-N 3.17Å; E223-V226 PolarHBondContact O-N 2.94Å; E223-Y227 PolarHBondContact O-N 3.48Å; E223-V252 HydrophobicContact CG-CG1 4.22Å; E223-R253 HydrophobicContact CG-CB 3.94Å; E223-R253 PolarHBondContact OE1-N 3.14Å; E223-L257 HydrophobicContact CB-CD2 3.9Å; E223-L257 HydrophobicContact CB-CG 4.5Å; E223-L257 HydrophobicContact CG-CD2 4.25Å; E223-L257 HydrophobicContact CG-CG 4.49Å; E223-R309 IonicContact OE1-CZ 2.65Å; E223-R309 IonicContact OE1-NE 2.67Å; E223-R309 PolarHBondContact OE1-NE 3.41Å; E223-R309 IonicContact OE1-NH2 2.67Å; E223-R309 PolarHBondContact OE1-NH2 3.31Å; E223-R309 IonicContact OE2-CZ 3.96Å; E223-R309 IonicContact OE2-NE 2.96Å; E223-R309 PolarHBondContact OE2-NE 2.92Å; E223-R309 IonicContact OE2-NH2 2.98Å
224	K	96.3	Very high	95.5	Very high	72 Å²	72	36.9 Å²	36.9	31%	0.313	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-29.6	173.9	-53.7	171.3	-175.2	168.4	0	111.7	N222 V226 Y227 N228 L257 F261	N222-K224 PolarHBondContact O-N 3.42Å; N222-K224 WeakPolarHBondContact OD1-CB 3.42Å; N222-K224 WeakPolarHBondContact OD1-CD 3.37Å; N222-K224 WeakPolarHBondContact OD1-CG 3.43Å; N222-K224 PolarHBondContact OD1-N 3.3Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-Y227 PolarHBondContact O-N 2.94Å; K224-N228 WeakPolarHBondContact O-CB 3.29Å; K224-N228 PolarHBondContact O-N 3.47Å; K224-N228 PolarHBondContact O-ND2 3.46Å; K224-N228 PolarHBondContact O-OD1 3.44Å; K224-L257 HydrophobicContact CB-CD2 4.3Å; K224-L257 HydrophobicContact CG-CD2 3.74Å; K224-F261 HydrophobicContact CB-CZ 4.28Å; K224-F261 HydrophobicContact CD-CD2 4.08Å; K224-F261 HydrophobicContact CD-CE2 4.2Å; K224-F261 HydrophobicContact CD-CG 4.4Å; K224-F261 HydrophobicContact CG-CD1 4.28Å; K224-F261 HydrophobicContact CG-CD2 4.34Å; K224-F261 HydrophobicContact CG-CE1 4.24Å; K224-F261 HydrophobicContact CG-CE2 4.3Å; K224-F261 HydrophobicContact CG-CG 4.32Å; K224-F261 HydrophobicContact CG-CZ 4.25Å
225	Q	96.5	Very high	95.3	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.8	-69.2	174.6	-81.3	0	0	110.9	I220 N222 E223 N228 A229	I220-Q225 HydrophobicContact CG2-CB 4.19Å; N222-Q225 PolarHBondContact O-N 3.29Å; N222-Q225 VanDerWaalsContact O-N 3.11Å; E223-Q225 PolarHBondContact O-N 3.17Å; Q225-N228 PolarHBondContact O-N 3.14Å; Q225-A229 WeakPolarHBondContact O-CB 3.22Å; Q225-A229 PolarHBondContact O-N 3.33Å
226	V	97.6	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-43.3	175.7	-168	0	0	0	0	110.9	L213 L218 I220 E223 K224 A229 A230 V252	L213-V226 HydrophobicContact CB-CG1 4.45Å; L213-V226 HydrophobicContact CD2-CG1 3.79Å; L218-V226 HydrophobicContact CD1-CG1 4.46Å; L218-V226 HydrophobicContact CD1-CG2 4.08Å; I220-V226 HydrophobicContact CD1-CG2 3.47Å; I220-V226 VanDerWaalsContact CD1-CG2 3.47Å; I220-V226 HydrophobicContact CG2-CG2 4.24Å; E223-V226 PolarHBondContact O-N 2.94Å; K224-V226 VanDerWaalsContact C-N 3.34Å; V226-A229 PolarHBondContact O-N 3.4Å; V226-A230 WeakPolarHBondContact O-CB 3.43Å; V226-A230 PolarHBondContact O-N 2.75Å; V226-V252 HydrophobicContact CG1-CG2 4.23Å
227	Y	97.4	Very high	94.8	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-49.4	174.4	178.4	-100.2	0	0	0	112.1	E223 K224 A229 A230 I231 L249 V252 L254 F261 V265 V266 E269	E223-Y227 PolarHBondContact O-N 3.48Å; K224-Y227 PolarHBondContact O-N 2.94Å; Y227-A229 VanDerWaalsContact C-N 3.32Å; Y227-A229 PolarHBondContact O-N 2.84Å; Y227-A230 PolarHBondContact O-N 2.74Å; Y227-I231 HydrophobicContact CD1-CG1 4.23Å; Y227-I231 HydrophobicContact CD2-CG1 4.21Å; Y227-I231 HydrophobicContact CE1-CG1 3.78Å; Y227-I231 HydrophobicContact CE2-CD1 3.95Å; Y227-I231 HydrophobicContact CE2-CG1 3.71Å; Y227-I231 HydrophobicContact CG-CG1 4.45Å; Y227-I231 VanDerWaalsContact CZ-CG1 3.48Å; Y227-I231 WeakPolarHBondContact O-CG1 3.3Å; Y227-I231 PolarHBondContact O-N 2.72Å; Y227-L249 HydrophobicContact CD2-CD1 4.12Å; Y227-L249 HydrophobicContact CE2-CD1 3.99Å; Y227-V252 HydrophobicContact CD2-CG1 4.28Å; Y227-L254 HydrophobicContact CD2-CD2 4.28Å; Y227-F261 AromaticContact CD1-CE1 3.49Å; Y227-F261 HydrophobicContact CD1-CE1 3.49Å; Y227-F261 VanDerWaalsContact CD1-CE1 3.49Å; Y227-F261 AromaticContact CD1-CZ 3.58Å; Y227-F261 HydrophobicContact CD1-CZ 3.58Å; Y227-F261 AromaticContact CE1-CE1 3.87Å; Y227-F261 HydrophobicContact CE1-CE1 3.87Å; Y227-F261 AromaticContact CE1-CZ 3.92Å; Y227-F261 HydrophobicContact CE1-CZ 3.92Å; Y227-F261 HydrophobicContact CG-CE1 4.04Å; Y227-F261 HydrophobicContact CG-CZ 4.49Å; Y227-V265 HydrophobicContact CE1-CG1 4.18Å; Y227-V266 HydrophobicContact CD2-CG2 4.27Å; Y227-V266 HydrophobicContact CE1-CG2 4.1Å; Y227-V266 HydrophobicContact CE2-CB 4.28Å; Y227-V266 HydrophobicContact CE2-CG1 3.73Å; Y227-V266 HydrophobicContact CE2-CG2 3.79Å; Y227-E269 WeakPolarHBondContact OH-CG 3.47Å
228	N	96.3	Very high	94.3	Very high	89 Å²	89	41.7 Å²	41.7	48%	0.476	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-39.4	-179.9	-69.2	-8.7	0	0	0	111.5	K224 Q225 I231 K232	K224-N228 WeakPolarHBondContact O-CB 3.29Å; K224-N228 PolarHBondContact O-N 3.47Å; K224-N228 PolarHBondContact O-ND2 3.46Å; K224-N228 PolarHBondContact O-OD1 3.44Å; Q225-N228 PolarHBondContact O-N 3.14Å; N228-I231 PolarHBondContact O-N 2.69Å; N228-K232 VanDerWaalsContact O-CB 3.31Å; N228-K232 WeakPolarHBondContact O-CB 3.29Å; N228-K232 PolarHBondContact O-N 3.01Å
229	A	97.3	Very high	93.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-48.8	174.2	0	0	0	0	0	111.9	F192 V196 F201 L213 Q225 V226 Y227 I231 K232 W233	F192-A229 HydrophobicContact CE1-CB 4.23Å; F192-A229 HydrophobicContact CZ-CB 3.73Å; V196-A229 HydrophobicContact CB-CB 4.41Å; V196-A229 HydrophobicContact CG1-CB 3.8Å; V196-A229 HydrophobicContact CG2-CB 3.61Å; F201-A229 HydrophobicContact CE1-CB 4.33Å; F201-A229 WeakPolarHBondContact CE1-O 3.13Å; F201-A229 HydrophobicContact CZ-CB 3.97Å; L213-A229 HydrophobicContact CD2-CB 4.48Å; Q225-A229 WeakPolarHBondContact O-CB 3.22Å; Q225-A229 PolarHBondContact O-N 3.33Å; V226-A229 PolarHBondContact O-N 3.4Å; Y227-A229 VanDerWaalsContact C-N 3.32Å; Y227-A229 PolarHBondContact O-N 2.84Å; A229-I231 PolarHBondContact O-N 2.9Å; A229-K232 PolarHBondContact O-N 3.24Å; A229-W233 PolarHBondContact O-N 3.2Å; A229-W233 VanDerWaalsContact O-N 3.14Å
230	A	96.8	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-47.8	176.1	0	0	0	0	0	111.7	L213 V226 Y227 W233 L234 I248 V252	L213-A230 HydrophobicContact CD1-CB 3.99Å; V226-A230 WeakPolarHBondContact O-CB 3.43Å; V226-A230 PolarHBondContact O-N 2.75Å; Y227-A230 PolarHBondContact O-N 2.74Å; A230-W233 PolarHBondContact O-N 3.48Å; A230-L234 WeakPolarHBondContact O-CB 3.49Å; A230-L234 WeakPolarHBondContact O-CD1 3.32Å; A230-L234 WeakPolarHBondContact O-CG 3.43Å; A230-L234 PolarHBondContact O-N 3.4Å; A230-I248 HydrophobicContact CB-CG2 3.89Å; A230-V252 HydrophobicContact CB-CG2 3.8Å
231	I	95.1	Very high	92.9	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-39	179	-63.9	-65.5	0	0	0	112.1	Y227 N228 A229 W233 L234 L235 I271	Y227-I231 HydrophobicContact CD1-CG1 4.23Å; Y227-I231 HydrophobicContact CD2-CG1 4.21Å; Y227-I231 HydrophobicContact CE1-CG1 3.78Å; Y227-I231 HydrophobicContact CE2-CD1 3.95Å; Y227-I231 HydrophobicContact CE2-CG1 3.71Å; Y227-I231 HydrophobicContact CG-CG1 4.45Å; Y227-I231 VanDerWaalsContact CZ-CG1 3.48Å; Y227-I231 WeakPolarHBondContact O-CG1 3.3Å; Y227-I231 PolarHBondContact O-N 2.72Å; N228-I231 PolarHBondContact O-N 2.69Å; A229-I231 PolarHBondContact O-N 2.9Å; I231-W233 VanDerWaalsContact C-N 3.3Å; I231-W233 PolarHBondContact O-N 3.04Å; I231-L234 HydrophobicContact CD1-CD1 4.29Å; I231-L234 PolarHBondContact O-N 3.08Å; I231-L235 HydrophobicContact CG2-CD1 3.52Å; I231-L235 HydrophobicContact CG2-CG 3.94Å; I231-L235 WeakPolarHBondContact O-CB 3.43Å; I231-L235 WeakPolarHBondContact O-CG 3.33Å; I231-L235 PolarHBondContact O-N 2.98Å; I231-I271 HydrophobicContact CD1-CD1 4.09Å
232	K	94.9	Very high	92.5	Very high	79 Å²	79	48.3 Å²	48.3	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-55.3	-46	174.8	-178	-179.7	179.3	-177.6	0	110.9	V196 D197 F201 N228 A229 A236	V196-K232 HydrophobicContact CG1-CD 4.43Å; V196-K232 PolarHBondContact O-NZ 3.42Å; D197-K232 PolarHBondContact O-NZ 3.27Å; F201-K232 HydrophobicContact CD1-CD 4.34Å; N228-K232 VanDerWaalsContact O-CB 3.31Å; N228-K232 WeakPolarHBondContact O-CB 3.29Å; N228-K232 PolarHBondContact O-N 3.01Å; A229-K232 PolarHBondContact O-N 3.24Å; K232-A236 WeakPolarHBondContact O-CB 3.37Å; K232-A236 PolarHBondContact O-N 3.23Å
233	W	95.9	Very high	92.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.8	-45.5	177.7	-176.6	93.3	0	0	0	112.6	F201 V202 V204 P206 L209 A229 A230 I231 L235 A236 H241 W244 I248	F201-W233 HydrophobicContact CE1-CB 4.07Å; V202-W233 PolarHBondContact O-NE1 2.99Å; V204-W233 PolarHBondContact O-NE1 2.91Å; P206-W233 HydrophobicContact CB-CH2 3.89Å; P206-W233 HydrophobicContact CB-CZ2 4.14Å; P206-W233 HydrophobicContact CG-CH2 3.84Å; P206-W233 HydrophobicContact CG-CZ2 3.86Å; L209-W233 HydrophobicContact CD2-CB 3.75Å; L209-W233 HydrophobicContact CD2-CD2 3.28Å; L209-W233 HydrophobicContact CD2-CE3 3.56Å; L209-W233 HydrophobicContact CD2-CG 3.37Å; L209-W233 HydrophobicContact CD2-CZ2 4.46Å; L209-W233 HydrophobicContact CD2-CZ3 4.27Å; A229-W233 PolarHBondContact O-N 3.2Å; A229-W233 VanDerWaalsContact O-N 3.14Å; A230-W233 PolarHBondContact O-N 3.48Å; I231-W233 VanDerWaalsContact C-N 3.3Å; I231-W233 PolarHBondContact O-N 3.04Å; W233-L235 VanDerWaalsContact C-N 3.35Å; W233-L235 PolarHBondContact O-N 2.91Å; W233-A236 PolarHBondContact O-N 3.28Å; W233-H241 AromaticContact CD2-CE1 3.74Å; W233-H241 AromaticContact CD2-ND1 3.55Å; W233-H241 AromaticContact CE2-CE1 3.37Å; W233-H241 AromaticContact CE2-ND1 3.64Å; W233-H241 AromaticContact CE2-NE2 3.86Å; W233-H241 HydrophobicContact CE3-CB 4.16Å; W233-H241 AromaticContact CE3-CG 3.93Å; W233-H241 AromaticContact CE3-ND1 3.61Å; W233-H241 HydrophobicContact CH2-CB 4.07Å; W233-H241 AromaticContact CH2-CD2 3.63Å; W233-H241 AromaticContact CH2-CG 3.62Å; W233-H241 AromaticContact CH2-ND1 3.87Å; W233-H241 AromaticContact CH2-NE2 3.94Å; W233-H241 AromaticContact CZ2-CD2 3.75Å; W233-H241 AromaticContact CZ2-CE1 3.54Å; W233-H241 AromaticContact CZ2-CG 3.94Å; W233-H241 AromaticContact CZ2-ND1 3.81Å; W233-H241 AromaticContact CZ2-NE2 3.54Å; W233-H241 HydrophobicContact CZ3-CB 3.69Å; W233-H241 AromaticContact CZ3-CG 3.61Å; W233-H241 AromaticContact CZ3-ND1 3.78Å; W233-H241 AromaticContact NE1-CE1 3.71Å; W233-H241 PolarHBondContact O-ND1 3.41Å; W233-W244 HydrophobicContact CH2-CB 4.26Å; W233-W244 HydrophobicContact CH2-CG 4.43Å; W233-W244 HydrophobicContact CZ3-CB 4.24Å; W233-I248 HydrophobicContact CZ3-CG1 4.06Å
234	L	93.4	Very high	92.2	Very high	7 Å²	7	54 Å²	54	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-40.2	-179.1	-74	164.5	0	0	0	112.9	A230 I231 A236 H241 L245 I248	A230-L234 WeakPolarHBondContact O-CB 3.49Å; A230-L234 WeakPolarHBondContact O-CD1 3.32Å; A230-L234 WeakPolarHBondContact O-CG 3.43Å; A230-L234 PolarHBondContact O-N 3.4Å; I231-L234 HydrophobicContact CD1-CD1 4.29Å; I231-L234 PolarHBondContact O-N 3.08Å; L234-A236 VanDerWaalsContact C-N 3.35Å; L234-H241 HydrophobicContact CD2-CB 4.29Å; L234-L245 HydrophobicContact CD1-CD1 3.64Å; L234-L245 HydrophobicContact CD2-CB 4.27Å; L234-L245 HydrophobicContact CD2-CD1 4.13Å; L234-L245 HydrophobicContact CG-CD1 4.44Å; L234-I248 HydrophobicContact CD1-CG2 4.18Å; L234-I248 HydrophobicContact CD2-CB 4.5Å; L234-I248 HydrophobicContact CG-CG2 4.32Å
235	L	91.7	Very high	92.1	Very high	87 Å²	87	51.1 Å²	51.1	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-77.7	-16.8	-179.2	-68.2	180	0	0	0	113.9	I231 W233 P238 I271	I231-L235 HydrophobicContact CG2-CD1 3.52Å; I231-L235 HydrophobicContact CG2-CG 3.94Å; I231-L235 WeakPolarHBondContact O-CB 3.43Å; I231-L235 WeakPolarHBondContact O-CG 3.33Å; I231-L235 PolarHBondContact O-N 2.98Å; W233-L235 VanDerWaalsContact C-N 3.35Å; W233-L235 PolarHBondContact O-N 2.91Å; L235-P238 WeakPolarHBondContact O-CD 3.42Å; L235-P238 WeakPolarHBondContact O-CG 3.46Å; L235-I271 HydrophobicContact CD2-CD1 4.06Å
236	A	92.4	Very high	92	Very high	50 Å²	50	49.7 Å²	49.7	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-76.2	-29.6	-175.7	0	0	0	0	0	113.8	V202 K232 W233 L234	V202-A236 HydrophobicContact CB-CB 4.24Å; V202-A236 HydrophobicContact CG1-CB 3.39Å; V202-A236 HydrophobicContact CG2-CB 3.88Å; K232-A236 WeakPolarHBondContact O-CB 3.37Å; K232-A236 PolarHBondContact O-N 3.23Å; W233-A236 PolarHBondContact O-N 3.28Å; L234-A236 VanDerWaalsContact C-N 3.35Å
237	N	88.5	Confident	91.8	Very high	71 Å²	71	53.9 Å²	53.9	38%	0.38	28%	0.283	S	S	.	.	S	Bend	trans	-138.1	76.6	169.2	-173.5	-8.8	0	0	0	111.1	Q239 H240 H241	N237-Q239 PolarHBondContact O-N 2.85Å; N237-Q239 VanDerWaalsContact O-N 3.12Å; N237-H240 PolarHBondContact O-N 3.48Å; N237-H240 PolarHBondContact OD1-N 3.23Å; N237-H241 VanDerWaalsContact O-CB 3.26Å; N237-H241 WeakPolarHBondContact O-CB 3.3Å; N237-H241 VanDerWaalsContact O-CG 3.32Å; N237-H241 PolarHBondContact O-N 3.11Å
238	P	84.4	Confident	91.8	Very high	75 Å²	75	53.7 Å²	53.7	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-28.7	-171.8	-25.8	35.8	0	0	0	114.2	L235 A242	L235-P238 WeakPolarHBondContact O-CD 3.42Å; L235-P238 WeakPolarHBondContact O-CG 3.46Å; P238-A242 WeakPolarHBondContact O-CB 3.49Å; P238-A242 PolarHBondContact O-N 3.44Å
239	Q	83.8	Confident	91.8	Very high	184 Å²	184	49.5 Å²	49.5	86%	0.86	26%	0.26	S	S	*	.	H	α-helix	trans	-70.2	-40.9	-178.5	-64.6	-176.6	3.1	0	0	112.2	N237	N237-Q239 PolarHBondContact O-N 2.85Å; N237-Q239 VanDerWaalsContact O-N 3.12Å
240	H	84.3	Confident	91.7	Very high	92 Å²	92	50.9 Å²	50.9	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-88.8	-36.9	179.9	-167.5	-108.4	0	0	0	112.1	N237	N237-H240 PolarHBondContact O-N 3.48Å; N237-H240 PolarHBondContact OD1-N 3.23Å
241	H	86.8	Confident	91.8	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.065	28%	0.279	C	S	.	.	H	α-helix	trans	-83	-16.7	-171.9	-61.1	-179.7	0	0	0	113.3	W233 L234 N237 M243 W244 L245	W233-H241 AromaticContact CD2-CE1 3.74Å; W233-H241 AromaticContact CD2-ND1 3.55Å; W233-H241 AromaticContact CE2-CE1 3.37Å; W233-H241 AromaticContact CE2-ND1 3.64Å; W233-H241 AromaticContact CE2-NE2 3.86Å; W233-H241 HydrophobicContact CE3-CB 4.16Å; W233-H241 AromaticContact CE3-CG 3.93Å; W233-H241 AromaticContact CE3-ND1 3.61Å; W233-H241 HydrophobicContact CH2-CB 4.07Å; W233-H241 AromaticContact CH2-CD2 3.63Å; W233-H241 AromaticContact CH2-CG 3.62Å; W233-H241 AromaticContact CH2-ND1 3.87Å; W233-H241 AromaticContact CH2-NE2 3.94Å; W233-H241 AromaticContact CZ2-CD2 3.75Å; W233-H241 AromaticContact CZ2-CE1 3.54Å; W233-H241 AromaticContact CZ2-CG 3.94Å; W233-H241 AromaticContact CZ2-ND1 3.81Å; W233-H241 AromaticContact CZ2-NE2 3.54Å; W233-H241 HydrophobicContact CZ3-CB 3.69Å; W233-H241 AromaticContact CZ3-CG 3.61Å; W233-H241 AromaticContact CZ3-ND1 3.78Å; W233-H241 AromaticContact NE1-CE1 3.71Å; W233-H241 PolarHBondContact O-ND1 3.41Å; L234-H241 HydrophobicContact CD2-CB 4.29Å; N237-H241 VanDerWaalsContact O-CB 3.26Å; N237-H241 WeakPolarHBondContact O-CB 3.3Å; N237-H241 VanDerWaalsContact O-CG 3.32Å; N237-H241 PolarHBondContact O-N 3.11Å; H241-M243 PolarHBondContact O-N 3.46Å; H241-W244 PolarHBondContact O-N 3.02Å; H241-L245 PolarHBondContact O-N 3.26Å
242	A	84.8	Confident	91.9	Very high	59 Å²	59	51.8 Å²	51.8	49%	0.488	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-58.3	-28.2	174.6	0	0	0	0	0	113.9	P238 W244 L245	P238-A242 WeakPolarHBondContact O-CB 3.49Å; P238-A242 PolarHBondContact O-N 3.44Å; A242-W244 PolarHBondContact O-N 3.26Å; A242-L245 WeakPolarHBondContact O-CB 3.32Å
243	M	89.7	Confident	92	Very high	123 Å²	123	48.3 Å²	48.3	61%	0.606	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.4	175.8	-62.3	-172.5	-62.8	0	0	113.6	H241	H241-M243 PolarHBondContact O-N 3.46Å
244	W	92.8	Very high	92	Very high	61 Å²	61	48.3 Å²	48.3	23%	0.231	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-108.4	3.3	-176.7	-58.6	95.5	0	0	0	112.4	P206 Q207 W233 H241 A242 D246 E247 I248	P206-W244 HydrophobicContact CB-CD2 3.48Å; P206-W244 VanDerWaalsContact CB-CD2 3.48Å; P206-W244 HydrophobicContact CB-CE3 3.85Å; P206-W244 HydrophobicContact CB-CG 3.81Å; P206-W244 HydrophobicContact CB-CH2 4.43Å; P206-W244 HydrophobicContact CB-CZ2 4.1Å; P206-W244 HydrophobicContact CB-CZ3 4.31Å; P206-W244 HydrophobicContact CG-CD2 4.03Å; P206-W244 HydrophobicContact CG-CG 4.17Å; P206-W244 HydrophobicContact CG-CZ2 4.2Å; Q207-W244 VanDerWaalsContact NE2-CH2 3.33Å; W233-W244 HydrophobicContact CH2-CB 4.26Å; W233-W244 HydrophobicContact CH2-CG 4.43Å; W233-W244 HydrophobicContact CZ3-CB 4.24Å; H241-W244 PolarHBondContact O-N 3.02Å; A242-W244 PolarHBondContact O-N 3.26Å; W244-D246 PolarHBondContact O-N 3.12Å; W244-E247 WeakPolarHBondContact CZ3-OE2 3.41Å; W244-E247 PolarHBondContact O-N 3.33Å; W244-I248 HydrophobicContact CB-CG1 4.15Å; W244-I248 VanDerWaalsContact O-CB 3.32Å; W244-I248 WeakPolarHBondContact O-CB 3.22Å; W244-I248 VanDerWaalsContact O-CG1 3.29Å; W244-I248 WeakPolarHBondContact O-CG1 3.31Å; W244-I248 PolarHBondContact O-N 2.95Å
245	L	93.3	Very high	92.1	Very high	11 Å²	11	48 Å²	48	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-45.5	-171.4	171.3	62	0	0	0	113.1	L234 H241 A242 L249 I271 N275	L234-L245 HydrophobicContact CD1-CD1 3.64Å; L234-L245 HydrophobicContact CD2-CB 4.27Å; L234-L245 HydrophobicContact CD2-CD1 4.13Å; L234-L245 HydrophobicContact CG-CD1 4.44Å; H241-L245 PolarHBondContact O-N 3.26Å; A242-L245 WeakPolarHBondContact O-CB 3.32Å; L245-L249 WeakPolarHBondContact O-CB 3.31Å; L245-L249 PolarHBondContact O-N 3.05Å; L245-I271 HydrophobicContact CD1-CB 4.48Å; L245-I271 HydrophobicContact CD1-CD1 3.99Å; L245-I271 HydrophobicContact CD1-CG1 4.21Å; L245-I271 HydrophobicContact CD2-CB 4.03Å; L245-I271 WeakPolarHBondContact CD2-O 3.48Å; L245-N275 HydrophobicContact CD2-CB 3.88Å
246	D	94	Very high	92.3	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.112	25%	0.25	C	C	.	.	H	α-helix	trans	-69.6	-45	178.3	55.8	-40	0	0	0	111.9	W244 A250 K277	W244-D246 PolarHBondContact O-N 3.12Å; D246-A250 WeakPolarHBondContact O-CB 3.4Å; D246-A250 PolarHBondContact O-N 2.9Å; D246-K277 HydrophobicContact CB-CB 3.93Å; D246-K277 HydrophobicContact CB-CD 3.75Å; D246-K277 WeakPolarHBondContact OD2-CD 3.37Å; D246-K277 WeakPolarHBondContact OD2-CE 3.4Å; D246-K277 IonicContact OD2-NZ 3.3Å; D246-K277 PolarHBondContact OD2-NZ 3.5Å
247	E	95.4	Very high	92.4	Very high	87 Å²	87	44 Å²	44	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-41.7	179.4	-64.5	-171.8	-175.1	0	0	112.7	W244 A250 Q251	W244-E247 WeakPolarHBondContact CZ3-OE2 3.41Å; W244-E247 PolarHBondContact O-N 3.33Å; E247-A250 PolarHBondContact O-N 3.05Å; E247-Q251 WeakPolarHBondContact O-CG 3.46Å; E247-Q251 PolarHBondContact O-NE2 3.44Å
248	I	96.1	Very high	92.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-72.4	-43.3	178.2	-67	-60.7	0	0	0	111.2	L209 H210 L213 A230 W233 L234 W244 A250 Q251	L209-I248 HydrophobicContact CB-CD1 4.21Å; L209-I248 HydrophobicContact CD2-CD1 3.94Å; L209-I248 HydrophobicContact CD2-CG1 4.45Å; L209-I248 HydrophobicContact CD2-CG2 4.2Å; L209-I248 HydrophobicContact CG-CD1 4.03Å; H210-I248 HydrophobicContact CB-CD1 4.09Å; L213-I248 HydrophobicContact CD1-CG2 3.95Å; A230-I248 HydrophobicContact CB-CG2 3.89Å; W233-I248 HydrophobicContact CZ3-CG1 4.06Å; L234-I248 HydrophobicContact CD1-CG2 4.18Å; L234-I248 HydrophobicContact CD2-CB 4.5Å; L234-I248 HydrophobicContact CG-CG2 4.32Å; W244-I248 HydrophobicContact CB-CG1 4.15Å; W244-I248 VanDerWaalsContact O-CB 3.32Å; W244-I248 WeakPolarHBondContact O-CB 3.22Å; W244-I248 VanDerWaalsContact O-CG1 3.29Å; W244-I248 WeakPolarHBondContact O-CG1 3.31Å; W244-I248 PolarHBondContact O-N 2.95Å; I248-A250 PolarHBondContact O-N 3.21Å; I248-Q251 WeakPolarHBondContact O-CB 3.37Å; I248-Q251 PolarHBondContact O-N 2.94Å
249	L	96	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-27.2	176	-167.3	67	0	0	0	112	Y227 L245 Q251 V252 L254 V272 C278 L281 R305	Y227-L249 HydrophobicContact CD2-CD1 4.12Å; Y227-L249 HydrophobicContact CE2-CD1 3.99Å; L245-L249 WeakPolarHBondContact O-CB 3.31Å; L245-L249 PolarHBondContact O-N 3.05Å; L249-Q251 PolarHBondContact O-N 3.22Å; L249-V252 HydrophobicContact CD1-CG2 4.33Å; L249-V252 PolarHBondContact O-N 3.14Å; L249-V252 VanDerWaalsContact O-N 3.14Å; L249-L254 HydrophobicContact CD1-CD2 4.27Å; L249-L254 HydrophobicContact CD2-CD1 4.49Å; L249-L254 HydrophobicContact CG-CD1 4.35Å; L249-V272 HydrophobicContact CD2-CG2 4.16Å; L249-C278 HydrophobicContact CD2-CB 3.79Å; L249-L281 HydrophobicContact CB-CD1 4.25Å; L249-L281 HydrophobicContact CD2-CD1 4.38Å; L249-L281 HydrophobicContact CG-CD1 4.21Å; L249-R305 PolarHBondContact O-NH1 3.37Å
250	A	96.6	Very high	93.5	Very high	29 Å²	29	40.4 Å²	40.4	24%	0.24	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.2	171.4	0	0	0	0	0	113.7	D246 E247 I248 L281 R305	D246-A250 WeakPolarHBondContact O-CB 3.4Å; D246-A250 PolarHBondContact O-N 2.9Å; E247-A250 PolarHBondContact O-N 3.05Å; I248-A250 PolarHBondContact O-N 3.21Å; A250-L281 HydrophobicContact CB-CD1 4.15Å; A250-R305 PolarHBondContact O-NH1 3.26Å
251	Q	97.1	Very high	94.1	Very high	36 Å²	36	37.5 Å²	37.5	17%	0.168	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-15.6	173.3	-50.6	-39.2	-58.7	0	0	113.5	H210 L213 S214 E247 I248 L249 R309	H210-Q251 PolarHBondContact NE2-NE2 3.25Å; L213-Q251 HydrophobicContact CB-CB 3.64Å; L213-Q251 HydrophobicContact CB-CG 4.34Å; S214-Q251 VanDerWaalsContact CB-OE1 3.28Å; E247-Q251 WeakPolarHBondContact O-CG 3.46Å; E247-Q251 PolarHBondContact O-NE2 3.44Å; I248-Q251 WeakPolarHBondContact O-CB 3.37Å; I248-Q251 PolarHBondContact O-N 2.94Å; L249-Q251 PolarHBondContact O-N 3.22Å; Q251-R309 PolarHBondContact O-NH2 2.77Å
252	V	97.3	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-84.8	123.6	174.3	-172.8	0	0	0	0	109.2	E223 V226 Y227 A230 L249 L254 R305	E223-V252 HydrophobicContact CG-CG1 4.22Å; V226-V252 HydrophobicContact CG1-CG2 4.23Å; Y227-V252 HydrophobicContact CD2-CG1 4.28Å; A230-V252 HydrophobicContact CB-CG2 3.8Å; L249-V252 HydrophobicContact CD1-CG2 4.33Å; L249-V252 PolarHBondContact O-N 3.14Å; L249-V252 VanDerWaalsContact O-N 3.14Å; V252-L254 HydrophobicContact CB-CD2 4.18Å; V252-L254 HydrophobicContact CG1-CD2 3.81Å; V252-L254 PolarHBondContact O-N 3.48Å; V252-R305 PolarHBondContact O-NH1 3.23Å
253	R	96.9	Very high	94.9	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.026	20%	0.197	C	C	.	.			trans	-77.2	65.6	-177.4	-55.6	-172.7	-172	-170.6	1.8	111.4	S216 E223 P255 L256 R305 T307 P308	S216-R253 PolarHBondContact OG-NH2 2.99Å; E223-R253 HydrophobicContact CG-CB 3.94Å; E223-R253 PolarHBondContact OE1-N 3.14Å; R253-P255 VanDerWaalsContact C-N 3.29Å; R253-P255 VanDerWaalsContact O-N 3.15Å; R253-L256 HydrophobicContact CB-CD1 3.87Å; R253-L256 HydrophobicContact CB-CG 4.21Å; R253-L256 WeakPolarHBondContact O-CB 3.24Å; R253-L256 PolarHBondContact O-N 2.83Å; R253-R305 WeakPolarHBondContact CB-O 3.38Å; R253-T307 VanDerWaalsContact CD-O 3.32Å; R253-T307 WeakPolarHBondContact CD-O 3.42Å; R253-T307 PolarHBondContact NH1-O 3.43Å; R253-P308 PolarHBondContact NH1-O 2.98Å
254	L	96.8	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-48.1	-38.7	-177.2	-58.8	-175.7	0	0	0	114.6	Y227 L249 V252 L256 L257 L262 V266 L281 L282 A285	Y227-L254 HydrophobicContact CD2-CD2 4.28Å; L249-L254 HydrophobicContact CD1-CD2 4.27Å; L249-L254 HydrophobicContact CD2-CD1 4.49Å; L249-L254 HydrophobicContact CG-CD1 4.35Å; V252-L254 HydrophobicContact CB-CD2 4.18Å; V252-L254 HydrophobicContact CG1-CD2 3.81Å; V252-L254 PolarHBondContact O-N 3.48Å; L254-L256 PolarHBondContact O-N 3.37Å; L254-L257 HydrophobicContact CD2-CD1 3.56Å; L254-L257 WeakPolarHBondContact O-CB 3.24Å; L254-L257 PolarHBondContact O-N 3.21Å; L254-L262 HydrophobicContact CB-CD2 4.2Å; L254-V266 HydrophobicContact CD2-CG1 4.45Å; L254-L281 HydrophobicContact CD1-CB 3.9Å; L254-L282 HydrophobicContact CD1-CD2 4.46Å; L254-A285 HydrophobicContact CB-CB 3.97Å
255	P	95.8	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.8	-22.4	174.8	-26.9	35.5	0	0	0	115	R253 E284 A285 Y288 H289 R305 T306	R253-P255 VanDerWaalsContact C-N 3.29Å; R253-P255 VanDerWaalsContact O-N 3.15Å; P255-E284 HydrophobicContact CG-CG 4.27Å; P255-A285 HydrophobicContact CB-CB 4.48Å; P255-A285 HydrophobicContact CG-CB 4.2Å; P255-Y288 HydrophobicContact CB-CD1 3.51Å; P255-Y288 HydrophobicContact CB-CE1 4.09Å; P255-Y288 HydrophobicContact CB-CG 3.83Å; P255-Y288 WeakPolarHBondContact O-CD1 3.42Å; P255-Y288 VanDerWaalsContact O-CE1 3.22Å; P255-Y288 WeakPolarHBondContact O-CE1 3.47Å; P255-H289 PolarHBondContact O-CE1 3.41Å; P255-R305 WeakPolarHBondContact CD-O 3.21Å; P255-R305 HydrophobicContact CG-CB 4.45Å; P255-T306 HydrophobicContact CB-CG2 4Å; P255-T306 HydrophobicContact CG-CG2 4Å
256	L	95.1	Very high	95.2	Very high	52 Å²	52	31.9 Å²	31.9	27%	0.272	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-95.6	-0.9	-179	-53.2	179.9	0	0	0	113.7	R253 L254 Y288 T307 P308	R253-L256 HydrophobicContact CB-CD1 3.87Å; R253-L256 HydrophobicContact CB-CG 4.21Å; R253-L256 WeakPolarHBondContact O-CB 3.24Å; R253-L256 PolarHBondContact O-N 2.83Å; L254-L256 PolarHBondContact O-N 3.37Å; L256-Y288 HydrophobicContact CD2-CE1 4.14Å; L256-T307 WeakPolarHBondContact CD1-O 3.43Å; L256-P308 HydrophobicContact CD1-CB 4.3Å
257	L	95.9	Very high	95.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	-78.3	145.7	173.9	-68.4	172.7	0	0	0	110.5	E223 K224 L254 I259 F261 L262 V266 H289	E223-L257 HydrophobicContact CB-CD2 3.9Å; E223-L257 HydrophobicContact CB-CG 4.5Å; E223-L257 HydrophobicContact CG-CD2 4.25Å; E223-L257 HydrophobicContact CG-CG 4.49Å; K224-L257 HydrophobicContact CB-CD2 4.3Å; K224-L257 HydrophobicContact CG-CD2 3.74Å; L254-L257 HydrophobicContact CD2-CD1 3.56Å; L254-L257 WeakPolarHBondContact O-CB 3.24Å; L254-L257 PolarHBondContact O-N 3.21Å; L257-I259 PolarHBondContact O-N 2.97Å; L257-F261 HydrophobicContact CB-CD1 4.42Å; L257-F261 HydrophobicContact CD1-CD1 4.09Å; L257-F261 HydrophobicContact CD1-CE1 4.24Å; L257-F261 HydrophobicContact CD2-CD1 4.15Å; L257-F261 HydrophobicContact CD2-CE1 4.31Å; L257-F261 HydrophobicContact CG-CD1 4.48Å; L257-L262 HydrophobicContact CB-CD1 4.45Å; L257-L262 HydrophobicContact CB-CD2 3.89Å; L257-L262 HydrophobicContact CB-CG 3.87Å; L257-L262 HydrophobicContact CD1-CD2 3.86Å; L257-L262 HydrophobicContact CG-CD2 4.48Å; L257-V266 HydrophobicContact CD1-CG2 4.27Å; L257-H289 PolarHBondContact O-CE1 3.4Å; L257-H289 PolarHBondContact O-NE2 3.17Å
258	P	93.8	Very high	95.1	Very high	55 Å²	55	33.9 Å²	33.9	36%	0.357	19%	0.194	S	C	.	.			trans	-58.6	137.3	173.3	-26.1	35.9	0	0	0	111.9	C260 F261 L262	P258-C260 PolarHBondContact O-N 3.29Å; P258-C260 VanDerWaalsContact O-N 3.1Å; P258-F261 HydrophobicContact CB-CB 4.42Å; P258-F261 WeakPolarHBondContact O-CA 3.43Å; P258-F261 VanDerWaalsContact O-CB 3.31Å; P258-F261 WeakPolarHBondContact O-CB 3.48Å; P258-F261 PolarHBondContact O-N 3.39Å; P258-L262 PolarHBondContact O-N 3.09Å
259	I	92.2	Very high	95	Very high	103 Å²	103	37 Å²	37	53%	0.528	21%	0.209	S	C	.	.	H	α-helix	trans	-57.8	-31.5	-175.5	-158.8	167.3	0	0	0	113.5	L257 F261 L262 M263 H289	L257-I259 PolarHBondContact O-N 2.97Å; I259-F261 VanDerWaalsContact C-N 3.33Å; I259-L262 PolarHBondContact O-N 3.46Å; I259-M263 PolarHBondContact O-N 3.28Å; I259-H289 HydrophobicContact CD1-CB 4.26Å
260	C	93.7	Very high	94.7	Very high	96 Å²	96	41.7 Å²	41.7	65%	0.649	23%	0.231	S	C	*	.	H	α-helix	trans	-67.5	-30.3	173.8	58.7	0	0	0	0	113.1	P258 G264	P258-C260 PolarHBondContact O-N 3.29Å; P258-C260 VanDerWaalsContact O-N 3.1Å; C260-G264 WeakPolarHBondContact O-CA 3.35Å; C260-G264 PolarHBondContact O-N 2.79Å
261	F	95.8	Very high	94.4	Very high	31 Å²	31	42.6 Å²	42.6	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-78.3	-43.6	174.8	-171.8	-94.3	0	0	0	110.8	K224 Y227 L257 P258 I259 M263 G264 V265 V266	K224-F261 HydrophobicContact CB-CZ 4.28Å; K224-F261 HydrophobicContact CD-CD2 4.08Å; K224-F261 HydrophobicContact CD-CE2 4.2Å; K224-F261 HydrophobicContact CD-CG 4.4Å; K224-F261 HydrophobicContact CG-CD1 4.28Å; K224-F261 HydrophobicContact CG-CD2 4.34Å; K224-F261 HydrophobicContact CG-CE1 4.24Å; K224-F261 HydrophobicContact CG-CE2 4.3Å; K224-F261 HydrophobicContact CG-CG 4.32Å; K224-F261 HydrophobicContact CG-CZ 4.25Å; Y227-F261 AromaticContact CD1-CE1 3.49Å; Y227-F261 HydrophobicContact CD1-CE1 3.49Å; Y227-F261 VanDerWaalsContact CD1-CE1 3.49Å; Y227-F261 AromaticContact CD1-CZ 3.58Å; Y227-F261 HydrophobicContact CD1-CZ 3.58Å; Y227-F261 AromaticContact CE1-CE1 3.87Å; Y227-F261 HydrophobicContact CE1-CE1 3.87Å; Y227-F261 AromaticContact CE1-CZ 3.92Å; Y227-F261 HydrophobicContact CE1-CZ 3.92Å; Y227-F261 HydrophobicContact CG-CE1 4.04Å; Y227-F261 HydrophobicContact CG-CZ 4.49Å; L257-F261 HydrophobicContact CB-CD1 4.42Å; L257-F261 HydrophobicContact CD1-CD1 4.09Å; L257-F261 HydrophobicContact CD1-CE1 4.24Å; L257-F261 HydrophobicContact CD2-CD1 4.15Å; L257-F261 HydrophobicContact CD2-CE1 4.31Å; L257-F261 HydrophobicContact CG-CD1 4.48Å; P258-F261 HydrophobicContact CB-CB 4.42Å; P258-F261 WeakPolarHBondContact O-CA 3.43Å; P258-F261 VanDerWaalsContact O-CB 3.31Å; P258-F261 WeakPolarHBondContact O-CB 3.48Å; P258-F261 PolarHBondContact O-N 3.39Å; I259-F261 VanDerWaalsContact C-N 3.33Å; F261-M263 PolarHBondContact O-N 2.85Å; F261-G264 PolarHBondContact O-N 3.3Å; F261-V265 HydrophobicContact CD2-CB 4.4Å; F261-V265 HydrophobicContact CD2-CG2 3.92Å; F261-V265 HydrophobicContact CE2-CB 4.27Å; F261-V265 HydrophobicContact CE2-CG1 4.45Å; F261-V265 HydrophobicContact CE2-CG2 3.93Å; F261-V265 HydrophobicContact CZ-CB 4.38Å; F261-V265 HydrophobicContact CZ-CG1 4.29Å; F261-V265 WeakPolarHBondContact O-CA 3.29Å; F261-V265 WeakPolarHBondContact O-CB 3.41Å; F261-V265 PolarHBondContact O-N 2.93Å; F261-V266 HydrophobicContact CD1-CG2 3.91Å; F261-V266 HydrophobicContact CE1-CG2 3.86Å; F261-V266 PolarHBondContact O-N 3.19Å
262	L	95	Very high	94.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-55.6	-51.3	174.5	-72.3	173.5	0	0	0	112.1	L254 L257 P258 I259 V266 A267 L282 A285 H289	L254-L262 HydrophobicContact CB-CD2 4.2Å; L257-L262 HydrophobicContact CB-CD1 4.45Å; L257-L262 HydrophobicContact CB-CD2 3.89Å; L257-L262 HydrophobicContact CB-CG 3.87Å; L257-L262 HydrophobicContact CD1-CD2 3.86Å; L257-L262 HydrophobicContact CG-CD2 4.48Å; P258-L262 PolarHBondContact O-N 3.09Å; I259-L262 PolarHBondContact O-N 3.46Å; L262-V266 HydrophobicContact CD2-CB 4.49Å; L262-V266 HydrophobicContact CD2-CG2 4.2Å; L262-V266 PolarHBondContact O-N 2.82Å; L262-A267 WeakPolarHBondContact O-CB 3.46Å; L262-A267 PolarHBondContact O-N 3Å; L262-L282 HydrophobicContact CD2-CD2 4.07Å; L262-A285 HydrophobicContact CD1-CB 3.99Å; L262-A285 HydrophobicContact CD2-CB 4.48Å; L262-H289 VanDerWaalsContact CD1-NE2 3.34Å; L262-H289 WeakPolarHBondContact CD1-NE2 3.34Å
263	M	93	Very high	93.8	Very high	67 Å²	67	44.4 Å²	44.4	33%	0.33	24%	0.239	S	C	.	.	H	α-helix	trans	-84.3	-25.6	-177.9	-60.6	-61.9	95.7	0	0	113.3	I259 F261 A267 L282 R286	I259-M263 PolarHBondContact O-N 3.28Å; F261-M263 PolarHBondContact O-N 2.85Å; M263-A267 HydrophobicContact CE-CB 3.93Å; M263-A267 HydrophobicContact SD-CB 4.47Å; M263-L282 HydrophobicContact CE-CD2 4.47Å; M263-R286 HydrophobicContact CE-CG 4.38Å
264	G	93.5	Very high	93.6	Very high	30 Å²	30	51.1 Å²	51.1	31%	0.309	27%	0.27	S	S	.	.	H	α-helix	trans	-80.9	-34.5	-178.7	0	0	0	0	0	114.1	C260 F261 K268	C260-G264 WeakPolarHBondContact O-CA 3.35Å; C260-G264 PolarHBondContact O-N 2.79Å; F261-G264 PolarHBondContact O-N 3.3Å; G264-K268 VanDerWaalsContact O-CD 3.26Å; G264-K268 WeakPolarHBondContact O-CD 3.31Å; G264-K268 VanDerWaalsContact O-CE 3.29Å; G264-K268 WeakPolarHBondContact O-CE 3.43Å; G264-K268 PolarHBondContact O-NZ 3.06Å
265	V	94.9	Very high	93.4	Very high	51 Å²	51	52.8 Å²	52.8	31%	0.309	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-69.4	-174.6	-175.1	0	0	0	0	110.3	Y227 F261 A267 K268 E269	Y227-V265 HydrophobicContact CE1-CG1 4.18Å; F261-V265 HydrophobicContact CD2-CB 4.4Å; F261-V265 HydrophobicContact CD2-CG2 3.92Å; F261-V265 HydrophobicContact CE2-CB 4.27Å; F261-V265 HydrophobicContact CE2-CG1 4.45Å; F261-V265 HydrophobicContact CE2-CG2 3.93Å; F261-V265 HydrophobicContact CZ-CB 4.38Å; F261-V265 HydrophobicContact CZ-CG1 4.29Å; F261-V265 WeakPolarHBondContact O-CA 3.29Å; F261-V265 WeakPolarHBondContact O-CB 3.41Å; F261-V265 PolarHBondContact O-N 2.93Å; V265-A267 PolarHBondContact O-N 3.41Å; V265-K268 WeakPolarHBondContact O-CA 3.42Å; V265-K268 WeakPolarHBondContact O-CB 3.22Å; V265-K268 PolarHBondContact O-N 3.18Å; V265-E269 PolarHBondContact O-N 3.38Å
266	V	94.8	Very high	93.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.3	-46.1	-166.2	-169.1	0	0	0	0	113	Y227 L254 L257 F261 L262 K268 E269 L282	Y227-V266 HydrophobicContact CD2-CG2 4.27Å; Y227-V266 HydrophobicContact CE1-CG2 4.1Å; Y227-V266 HydrophobicContact CE2-CB 4.28Å; Y227-V266 HydrophobicContact CE2-CG1 3.73Å; Y227-V266 HydrophobicContact CE2-CG2 3.79Å; L254-V266 HydrophobicContact CD2-CG1 4.45Å; L257-V266 HydrophobicContact CD1-CG2 4.27Å; F261-V266 HydrophobicContact CD1-CG2 3.91Å; F261-V266 HydrophobicContact CE1-CG2 3.86Å; F261-V266 PolarHBondContact O-N 3.19Å; L262-V266 HydrophobicContact CD2-CB 4.49Å; L262-V266 HydrophobicContact CD2-CG2 4.2Å; L262-V266 PolarHBondContact O-N 2.82Å; V266-K268 PolarHBondContact O-N 3.42Å; V266-E269 PolarHBondContact O-N 3.32Å; V266-L282 HydrophobicContact CB-CD2 4.17Å; V266-L282 HydrophobicContact CG1-CD2 3.82Å; V266-L282 HydrophobicContact CG1-CG 4.43Å
267	A	93.3	Very high	93.3	Very high	22 Å²	22	61.7 Å²	61.7	18%	0.182	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-72.7	-8.4	178.2	0	0	0	0	0	114.2	L262 M263 V265 K273 L282	L262-A267 WeakPolarHBondContact O-CB 3.46Å; L262-A267 PolarHBondContact O-N 3Å; M263-A267 HydrophobicContact CE-CB 3.93Å; M263-A267 HydrophobicContact SD-CB 4.47Å; V265-A267 PolarHBondContact O-N 3.41Å; A267-K273 WeakPolarHBondContact O-CE 3.42Å; A267-L282 HydrophobicContact CB-CD1 4.06Å
268	K	93.8	Very high	93.2	Very high	128 Å²	128	61.6 Å²	61.6	56%	0.557	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-96.6	-17.7	176.1	-64	-168.2	-165.3	152.1	0	113.4	G264 V265 V266 E270 K273	G264-K268 VanDerWaalsContact O-CD 3.26Å; G264-K268 WeakPolarHBondContact O-CD 3.31Å; G264-K268 VanDerWaalsContact O-CE 3.29Å; G264-K268 WeakPolarHBondContact O-CE 3.43Å; G264-K268 PolarHBondContact O-NZ 3.06Å; V265-K268 WeakPolarHBondContact O-CA 3.42Å; V265-K268 WeakPolarHBondContact O-CB 3.22Å; V265-K268 PolarHBondContact O-N 3.18Å; V266-K268 PolarHBondContact O-N 3.42Å; K268-E270 PolarHBondContact O-N 3.35Å; K268-K273 VanDerWaalsContact O-CE 3.31Å; K268-K273 WeakPolarHBondContact O-CE 3.3Å; K268-K273 PolarHBondContact O-NZ 3.09Å
269	E	93.2	Very high	93.3	Very high	66 Å²	66	64.8 Å²	64.8	31%	0.308	33%	0.325	S	S	.	.			trans	-63.4	129.2	177.8	-70.7	-54.6	150.2	0	0	112	Y227 V265 V266 I271 V272 K273	Y227-E269 WeakPolarHBondContact OH-CG 3.47Å; V265-E269 PolarHBondContact O-N 3.38Å; V266-E269 PolarHBondContact O-N 3.32Å; E269-I271 HydrophobicContact CB-CG1 4.46Å; E269-I271 PolarHBondContact O-N 3.29Å; E269-V272 HydrophobicContact CB-CB 4.13Å; E269-V272 HydrophobicContact CB-CG2 3.9Å; E269-V272 PolarHBondContact O-N 3.47Å; E269-K273 WeakPolarHBondContact O-CG 3.42Å; E269-K273 PolarHBondContact O-N 3.21Å
270	E	90.4	Very high	93.4	Very high	100 Å²	100	64.9 Å²	64.9	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-36.4	-175.6	-71.4	-57.6	137.9	0	0	112.5	K268 V272 K273 Q274	K268-E270 PolarHBondContact O-N 3.35Å; E270-V272 VanDerWaalsContact C-N 3.31Å; E270-V272 PolarHBondContact O-N 3.12Å; E270-K273 PolarHBondContact O-N 3.28Å; E270-K273 WeakPolarHBondContact OE1-CD 3.43Å; E270-K273 IonicContact OE1-NZ 2.62Å; E270-K273 PolarHBondContact OE1-NZ 3.02Å; E270-Q274 WeakPolarHBondContact O-CB 3.42Å; E270-Q274 VanDerWaalsContact O-CG 3.25Å; E270-Q274 WeakPolarHBondContact O-CG 3.45Å; E270-Q274 PolarHBondContact O-N 3.07Å
271	I	90.1	Very high	93.5	Very high	47 Å²	47	61.7 Å²	61.7	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-40.8	175.2	64.3	179.9	0	0	0	111.3	I231 L235 L245 E269 Q274 N275	I231-I271 HydrophobicContact CD1-CD1 4.09Å; L235-I271 HydrophobicContact CD2-CD1 4.06Å; L245-I271 HydrophobicContact CD1-CB 4.48Å; L245-I271 HydrophobicContact CD1-CD1 3.99Å; L245-I271 HydrophobicContact CD1-CG1 4.21Å; L245-I271 HydrophobicContact CD2-CB 4.03Å; L245-I271 WeakPolarHBondContact CD2-O 3.48Å; E269-I271 HydrophobicContact CB-CG1 4.46Å; E269-I271 PolarHBondContact O-N 3.29Å; I271-Q274 PolarHBondContact O-N 3.19Å; I271-N275 PolarHBondContact O-N 2.69Å
272	V	91.4	Very high	93.4	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-70.3	-40.9	177.8	176.2	0	0	0	0	110.8	L249 E269 E270 Q274 C278 L282	L249-V272 HydrophobicContact CD2-CG2 4.16Å; E269-V272 HydrophobicContact CB-CB 4.13Å; E269-V272 HydrophobicContact CB-CG2 3.9Å; E269-V272 PolarHBondContact O-N 3.47Å; E270-V272 VanDerWaalsContact C-N 3.31Å; E270-V272 PolarHBondContact O-N 3.12Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 2.97Å; V272-C278 HydrophobicContact CG1-CB 4.05Å; V272-L282 HydrophobicContact CG1-CD1 3.6Å; V272-L282 HydrophobicContact CG1-CG 4.43Å
273	K	91.4	Very high	93.3	Very high	73 Å²	73	63.8 Å²	63.8	32%	0.317	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-36.7	175.5	-74.4	167.9	179.2	154.8	0	112.7	A267 K268 E269 E270 R279	A267-K273 WeakPolarHBondContact O-CE 3.42Å; K268-K273 VanDerWaalsContact O-CE 3.31Å; K268-K273 WeakPolarHBondContact O-CE 3.3Å; K268-K273 PolarHBondContact O-NZ 3.09Å; E269-K273 WeakPolarHBondContact O-CG 3.42Å; E269-K273 PolarHBondContact O-N 3.21Å; E270-K273 PolarHBondContact O-N 3.28Å; E270-K273 WeakPolarHBondContact OE1-CD 3.43Å; E270-K273 IonicContact OE1-NZ 2.62Å; E270-K273 PolarHBondContact OE1-NZ 3.02Å; K273-R279 PolarHBondContact O-NE 3.32Å; K273-R279 PolarHBondContact O-NH2 2.95Å
274	Q	90.9	Very high	93.3	Very high	148 Å²	148	62.7 Å²	62.7	69%	0.692	31%	0.31	S	S	*	.	H	α-helix	trans	-80	-24.3	-173.7	-70.5	171.8	26.4	0	0	113	E270 I271 V272	E270-Q274 WeakPolarHBondContact O-CB 3.42Å; E270-Q274 VanDerWaalsContact O-CG 3.25Å; E270-Q274 WeakPolarHBondContact O-CG 3.45Å; E270-Q274 PolarHBondContact O-N 3.07Å; I271-Q274 PolarHBondContact O-N 3.19Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 2.97Å
275	N	92.9	Very high	93.4	Very high	36 Å²	36	61.3 Å²	61.3	19%	0.193	30%	0.295	C	S	.	.			trans	-93.6	124.9	178.8	-173.9	-44.6	0	0	0	112	L245 I271 K277 C278 R279	L245-N275 HydrophobicContact CD2-CB 3.88Å; I271-N275 PolarHBondContact O-N 2.69Å; N275-K277 WeakPolarHBondContact OD1-CB 3.38Å; N275-K277 PolarHBondContact OD1-N 2.99Å; N275-C278 HydrophobicContact CB-CB 4.02Å; N275-C278 PolarHBondContact O-N 2.89Å; N275-C278 PolarHBondContact OD1-N 3.49Å; N275-R279 PolarHBondContact O-N 2.95Å
276	L	93.8	Very high	93.2	Very high	120 Å²	120	63.4 Å²	63.4	63%	0.628	30%	0.298	S	S	*	.	H	α-helix	trans	-63.4	-47.2	-179.6	-67.2	175.9	0	0	0	112.9	C278 R279 D280	L276-C278 PolarHBondContact O-N 3.4Å; L276-R279 WeakPolarHBondContact O-CA 3.37Å; L276-R279 VanDerWaalsContact O-CB 3.29Å; L276-R279 WeakPolarHBondContact O-CB 3.43Å; L276-R279 PolarHBondContact O-N 3.48Å; L276-D280 PolarHBondContact O-N 3.38Å; L276-D280 VanDerWaalsContact O-N 3.09Å
277	K	95.1	Very high	93	Very high	118 Å²	118	66.4 Å²	66.4	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-60.3	-36.5	179.8	-65.1	173.7	177	-175.6	0	111.6	D246 N275 R279 D280 L281	D246-K277 HydrophobicContact CB-CB 3.93Å; D246-K277 HydrophobicContact CB-CD 3.75Å; D246-K277 WeakPolarHBondContact OD2-CD 3.37Å; D246-K277 WeakPolarHBondContact OD2-CE 3.4Å; D246-K277 IonicContact OD2-NZ 3.3Å; D246-K277 PolarHBondContact OD2-NZ 3.5Å; N275-K277 WeakPolarHBondContact OD1-CB 3.38Å; N275-K277 PolarHBondContact OD1-N 2.99Å; K277-R279 VanDerWaalsContact C-N 3.25Å; K277-R279 PolarHBondContact O-N 2.96Å; K277-D280 WeakPolarHBondContact CA-OD2 3.43Å; K277-D280 WeakPolarHBondContact O-CB 3.47Å; K277-D280 PolarHBondContact O-N 3.37Å; K277-D280 VanDerWaalsContact O-N 3.15Å; K277-L281 WeakPolarHBondContact O-CG 3.44Å; K277-L281 PolarHBondContact O-N 3.26Å
278	C	95	Very high	92.9	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-26.1	175.9	-59.4	0	0	0	0	113.1	L249 V272 N275 L276 L282	L249-C278 HydrophobicContact CD2-CB 3.79Å; V272-C278 HydrophobicContact CG1-CB 4.05Å; N275-C278 HydrophobicContact CB-CB 4.02Å; N275-C278 PolarHBondContact O-N 2.89Å; N275-C278 PolarHBondContact OD1-N 3.49Å; L276-C278 PolarHBondContact O-N 3.4Å; C278-L282 PolarHBondContact O-N 3.19Å
279	R	94.6	Very high	92.7	Very high	123 Å²	123	62.8 Å²	62.8	46%	0.464	29%	0.294	S	S	.	.	H	α-helix	trans	-73	-41.3	169.2	-59.1	174.4	-178.3	-169.5	1.1	111.1	K273 N275 L276 K277 L281 L282 D283	K273-R279 PolarHBondContact O-NE 3.32Å; K273-R279 PolarHBondContact O-NH2 2.95Å; N275-R279 PolarHBondContact O-N 2.95Å; L276-R279 WeakPolarHBondContact O-CA 3.37Å; L276-R279 VanDerWaalsContact O-CB 3.29Å; L276-R279 WeakPolarHBondContact O-CB 3.43Å; L276-R279 PolarHBondContact O-N 3.48Å; K277-R279 VanDerWaalsContact C-N 3.25Å; K277-R279 PolarHBondContact O-N 2.96Å; R279-L281 VanDerWaalsContact C-N 3.29Å; R279-L281 PolarHBondContact O-N 3.14Å; R279-L282 CarbonylContact O-C 3.57Å; R279-L282 WeakPolarHBondContact O-CA 3.39Å; R279-L282 WeakPolarHBondContact O-CB 3.24Å; R279-L282 PolarHBondContact O-N 2.71Å; R279-D283 PolarHBondContact O-N 3.16Å
280	D	94.8	Very high	92.4	Very high	104 Å²	104	62.7 Å²	62.7	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-58.7	-41.3	176.1	-53.8	-31.2	0	0	0	111.2	L276 K277 L282 D283 E284	L276-D280 PolarHBondContact O-N 3.38Å; L276-D280 VanDerWaalsContact O-N 3.09Å; K277-D280 WeakPolarHBondContact CA-OD2 3.43Å; K277-D280 WeakPolarHBondContact O-CB 3.47Å; K277-D280 PolarHBondContact O-N 3.37Å; K277-D280 VanDerWaalsContact O-N 3.15Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 3.23Å; D280-D283 PolarHBondContact O-N 2.92Å; D280-E284 PolarHBondContact O-N 3.47Å
281	L	95.4	Very high	92.1	Very high	29 Å²	29	59.3 Å²	59.3	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-28.6	173	-61.7	178.6	0	0	0	113.6	L249 A250 L254 K277 R279 A285	L249-L281 HydrophobicContact CB-CD1 4.25Å; L249-L281 HydrophobicContact CD2-CD1 4.38Å; L249-L281 HydrophobicContact CG-CD1 4.21Å; A250-L281 HydrophobicContact CB-CD1 4.15Å; L254-L281 HydrophobicContact CD1-CB 3.9Å; K277-L281 WeakPolarHBondContact O-CG 3.44Å; K277-L281 PolarHBondContact O-N 3.26Å; R279-L281 VanDerWaalsContact C-N 3.29Å; R279-L281 PolarHBondContact O-N 3.14Å; L281-A285 PolarHBondContact O-N 3.1Å
282	L	94.9	Very high	91.6	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-76.8	-34.8	172.9	-84.6	173.6	0	0	0	111.9	L254 L262 M263 V266 A267 V272 C278 R279 D280 A285 R286	L254-L282 HydrophobicContact CD1-CD2 4.46Å; L262-L282 HydrophobicContact CD2-CD2 4.07Å; M263-L282 HydrophobicContact CE-CD2 4.47Å; V266-L282 HydrophobicContact CB-CD2 4.17Å; V266-L282 HydrophobicContact CG1-CD2 3.82Å; V266-L282 HydrophobicContact CG1-CG 4.43Å; A267-L282 HydrophobicContact CB-CD1 4.06Å; V272-L282 HydrophobicContact CG1-CD1 3.6Å; V272-L282 HydrophobicContact CG1-CG 4.43Å; C278-L282 PolarHBondContact O-N 3.19Å; R279-L282 CarbonylContact O-C 3.57Å; R279-L282 WeakPolarHBondContact O-CA 3.39Å; R279-L282 WeakPolarHBondContact O-CB 3.24Å; R279-L282 PolarHBondContact O-N 2.71Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 3.23Å; L282-A285 PolarHBondContact O-N 2.75Å; L282-R286 VanDerWaalsContact O-CG 3.3Å; L282-R286 WeakPolarHBondContact O-CG 3.43Å; L282-R286 PolarHBondContact O-N 3.22Å
283	D	92.2	Very high	90.8	Very high	67 Å²	67	64.4 Å²	64.4	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-74.3	-34	177.1	-71.9	-29.8	0	0	0	111.7	R279 D280 A285 R286 N287	R279-D283 PolarHBondContact O-N 3.16Å; D280-D283 PolarHBondContact O-N 2.92Å; D283-A285 PolarHBondContact O-N 3.25Å; D283-R286 PolarHBondContact O-N 2.87Å; D283-R286 VanDerWaalsContact OD1-CD 3.23Å; D283-R286 WeakPolarHBondContact OD1-CD 3.49Å; D283-R286 IonicContact OD1-CZ 3.49Å; D283-R286 IonicContact OD1-NE 2.64Å; D283-R286 IonicContact OD1-NH1 2.68Å; D283-R286 PolarHBondContact OD1-NH1 3.18Å; D283-N287 VanDerWaalsContact O-CB 3.3Å; D283-N287 WeakPolarHBondContact O-CB 3.46Å; D283-N287 PolarHBondContact O-N 3.08Å; D283-N287 PolarHBondContact O-ND2 3.4Å
284	E	93.9	Very high	89.6	Confident	45 Å²	45	62.4 Å²	62.4	21%	0.21	31%	0.307	C	S	.	.	H	α-helix	trans	-52.3	-53	163.4	-179.5	-158.5	-164.5	0	0	111.1	P255 D280 R286 N287 Y288 R305	P255-E284 HydrophobicContact CG-CG 4.27Å; D280-E284 PolarHBondContact O-N 3.47Å; E284-R286 PolarHBondContact O-N 3.41Å; E284-N287 PolarHBondContact O-N 3.02Å; E284-Y288 PolarHBondContact O-N 3.13Å; E284-R305 IonicContact OE1-NE 2.65Å; E284-R305 PolarHBondContact OE1-NE 3.12Å; E284-R305 IonicContact OE2-CZ 2.67Å; E284-R305 IonicContact OE2-NE 3.99Å; E284-R305 PolarHBondContact OE2-NE 2.97Å; E284-R305 IonicContact OE2-NH2 3.91Å; E284-R305 PolarHBondContact OE2-NH2 3.21Å
285	A	94.3	Very high	88.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-38.6	-179.1	0	0	0	0	0	112.7	L254 P255 L262 L281 L282 D283 H289	L254-A285 HydrophobicContact CB-CB 3.97Å; P255-A285 HydrophobicContact CB-CB 4.48Å; P255-A285 HydrophobicContact CG-CB 4.2Å; L262-A285 HydrophobicContact CD1-CB 3.99Å; L262-A285 HydrophobicContact CD2-CB 4.48Å; L281-A285 PolarHBondContact O-N 3.1Å; L282-A285 PolarHBondContact O-N 2.75Å; D283-A285 PolarHBondContact O-N 3.25Å; A285-H289 PolarHBondContact O-CD2 3.41Å; A285-H289 PolarHBondContact O-N 3.04Å
286	R	91.3	Very high	87.2	Confident	95 Å²	95	66 Å²	66	36%	0.358	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-45.6	172.6	-74.6	162.6	170.2	163.2	1.5	111.6	M263 L282 D283 E284 Y288 H289 L290	M263-R286 HydrophobicContact CE-CG 4.38Å; L282-R286 VanDerWaalsContact O-CG 3.3Å; L282-R286 WeakPolarHBondContact O-CG 3.43Å; L282-R286 PolarHBondContact O-N 3.22Å; D283-R286 PolarHBondContact O-N 2.87Å; D283-R286 VanDerWaalsContact OD1-CD 3.23Å; D283-R286 WeakPolarHBondContact OD1-CD 3.49Å; D283-R286 IonicContact OD1-CZ 3.49Å; D283-R286 IonicContact OD1-NE 2.64Å; D283-R286 IonicContact OD1-NH1 2.68Å; D283-R286 PolarHBondContact OD1-NH1 3.18Å; E284-R286 PolarHBondContact O-N 3.41Å; R286-Y288 VanDerWaalsContact C-N 3.35Å; R286-Y288 PolarHBondContact O-N 2.9Å; R286-H289 PolarHBondContact O-N 2.83Å; R286-L290 WeakPolarHBondContact O-CG 3.31Å; R286-L290 PolarHBondContact O-N 2.89Å
287	N	90.9	Very high	86.3	Confident	64 Å²	64	61.6 Å²	61.6	34%	0.342	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-40.6	179.5	-74.6	-17.6	0	0	0	111.6	D283 E284 L290 H291 V297 F300	D283-N287 VanDerWaalsContact O-CB 3.3Å; D283-N287 WeakPolarHBondContact O-CB 3.46Å; D283-N287 PolarHBondContact O-N 3.08Å; D283-N287 PolarHBondContact O-ND2 3.4Å; E284-N287 PolarHBondContact O-N 3.02Å; N287-L290 PolarHBondContact O-N 3.22Å; N287-H291 VanDerWaalsContact O-CB 3.3Å; N287-H291 WeakPolarHBondContact O-CB 3.28Å; N287-H291 PolarHBondContact O-N 3.27Å; N287-V297 HydrophobicContact CB-CG1 4.14Å; N287-F300 HydrophobicContact CB-CD2 4.11Å; N287-F300 HydrophobicContact CB-CE2 4.47Å
288	Y	91.2	Very high	85.1	Confident	33 Å²	33	60.9 Å²	60.9	13%	0.129	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-48.2	172.9	176.4	-111.9	0	0	0	112.5	P255 L256 E284 R286 L290 H291 L292 F300 Y302 T306	P255-Y288 HydrophobicContact CB-CD1 3.51Å; P255-Y288 HydrophobicContact CB-CE1 4.09Å; P255-Y288 HydrophobicContact CB-CG 3.83Å; P255-Y288 WeakPolarHBondContact O-CD1 3.42Å; P255-Y288 VanDerWaalsContact O-CE1 3.22Å; P255-Y288 WeakPolarHBondContact O-CE1 3.47Å; L256-Y288 HydrophobicContact CD2-CE1 4.14Å; E284-Y288 PolarHBondContact O-N 3.13Å; R286-Y288 VanDerWaalsContact C-N 3.35Å; R286-Y288 PolarHBondContact O-N 2.9Å; Y288-L290 VanDerWaalsContact C-N 3.33Å; Y288-L290 PolarHBondContact O-N 3.21Å; Y288-H291 WeakPolarHBondContact O-CB 3.32Å; Y288-H291 PolarHBondContact O-N 3.03Å; Y288-L292 HydrophobicContact CD1-CD1 4.05Å; Y288-L292 HydrophobicContact CD2-CG 4.44Å; Y288-L292 HydrophobicContact CE1-CD1 3.54Å; Y288-L292 HydrophobicContact CE1-CG 4.38Å; Y288-L292 HydrophobicContact CE2-CD1 4.13Å; Y288-L292 HydrophobicContact CE2-CD2 4.35Å; Y288-L292 HydrophobicContact CE2-CG 4.18Å; Y288-L292 WeakPolarHBondContact O-CG 3.13Å; Y288-L292 PolarHBondContact O-N 3.29Å; Y288-F300 HydrophobicContact CD2-CE1 4.18Å; Y288-F300 AromaticContact CD2-CZ 3.63Å; Y288-F300 HydrophobicContact CD2-CZ 3.63Å; Y288-F300 HydrophobicContact CG-CZ 4.23Å; Y288-Y302 HydrophobicContact CE2-CE1 4.14Å; Y288-T306 HydrophobicContact CD2-CG2 3.88Å; Y288-T306 HydrophobicContact CE2-CG2 4.23Å; Y288-T306 HydrophobicContact CG-CG2 4.24Å
289	H	89.9	Confident	84.2	Confident	40 Å²	40	68.7 Å²	68.7	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-36.6	176.4	-70	-51.5	0	0	0	113	P255 L257 I259 L262 A285 R286 S293	P255-H289 PolarHBondContact O-CE1 3.41Å; L257-H289 PolarHBondContact O-CE1 3.4Å; L257-H289 PolarHBondContact O-NE2 3.17Å; I259-H289 HydrophobicContact CD1-CB 4.26Å; L262-H289 VanDerWaalsContact CD1-NE2 3.34Å; L262-H289 WeakPolarHBondContact CD1-NE2 3.34Å; A285-H289 PolarHBondContact O-CD2 3.41Å; A285-H289 PolarHBondContact O-N 3.04Å; R286-H289 PolarHBondContact O-N 2.83Å; H289-S293 WeakPolarHBondContact O-CB 3.3Å; H289-S293 PolarHBondContact O-N 2.99Å; H289-S293 PolarHBondContact O-OG 2.93Å
290	L	87	Confident	83.6	Confident	65 Å²	65	64.3 Å²	64.3	34%	0.34	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-43.9	174.2	-72.6	169.1	0	0	0	111.2	R286 N287 Y288 S293 R295 V297	R286-L290 WeakPolarHBondContact O-CG 3.31Å; R286-L290 PolarHBondContact O-N 2.89Å; N287-L290 PolarHBondContact O-N 3.22Å; Y288-L290 VanDerWaalsContact C-N 3.33Å; Y288-L290 PolarHBondContact O-N 3.21Å; L290-S293 WeakPolarHBondContact CA-OG 3.11Å; L290-S293 CarbonylContact O-C 3.54Å; L290-S293 WeakPolarHBondContact O-CA 3.37Å; L290-S293 PolarHBondContact O-N 3.2Å; L290-S293 VanDerWaalsContact O-N 3.09Å; L290-S293 PolarHBondContact O-OG 2.89Å; L290-R295 WeakPolarHBondContact O-CB 3.44Å; L290-R295 PolarHBondContact O-N 2.85Å; L290-V297 HydrophobicContact CB-CG2 3.88Å
291	H	83.3	Confident	83.1	Confident	28 Å²	28	67.2 Å²	67.2	13%	0.13	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-48.7	176.1	-169.3	98.4	0	0	0	111.6	N287 Y288 S293 S294 R295 V297 F300 Y302	N287-H291 VanDerWaalsContact O-CB 3.3Å; N287-H291 WeakPolarHBondContact O-CB 3.28Å; N287-H291 PolarHBondContact O-N 3.27Å; Y288-H291 WeakPolarHBondContact O-CB 3.32Å; Y288-H291 PolarHBondContact O-N 3.03Å; H291-S293 PolarHBondContact O-N 3.26Å; H291-S294 PolarHBondContact O-N 3.06Å; H291-S294 VanDerWaalsContact O-N 3.16Å; H291-R295 WeakPolarHBondContact CA-O 3.43Å; H291-V297 HydrophobicContact CB-CG2 4.32Å; H291-F300 HydrophobicContact CB-CD1 4.29Å; H291-F300 HydrophobicContact CB-CG 4.44Å; H291-F300 AromaticContact CE1-CD1 3.95Å; H291-F300 AromaticContact CG-CD1 3.81Å; H291-F300 AromaticContact ND1-CD1 3.63Å; H291-F300 AromaticContact ND1-CG 3.94Å; H291-Y302 PolarHBondContact CD2-OH 3.46Å; H291-Y302 VanDerWaalsContact CD2-OH 3.26Å; H291-Y302 AromaticContact NE2-CE2 3.95Å; H291-Y302 AromaticContact NE2-CZ 3.93Å; H291-Y302 PolarHBondContact NE2-OH 3.33Å
292	L	79.9	Confident	82.7	Confident	96 Å²	96	68.7 Å²	68.7	50%	0.503	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-30.8	173.6	-69.9	-179.2	0	0	0	113.1	Y288 S294	Y288-L292 HydrophobicContact CD1-CD1 4.05Å; Y288-L292 HydrophobicContact CD2-CG 4.44Å; Y288-L292 HydrophobicContact CE1-CD1 3.54Å; Y288-L292 HydrophobicContact CE1-CG 4.38Å; Y288-L292 HydrophobicContact CE2-CD1 4.13Å; Y288-L292 HydrophobicContact CE2-CD2 4.35Å; Y288-L292 HydrophobicContact CE2-CG 4.18Å; Y288-L292 WeakPolarHBondContact O-CG 3.13Å; Y288-L292 PolarHBondContact O-N 3.29Å; L292-S294 PolarHBondContact O-N 3.13Å; L292-S294 VanDerWaalsContact O-N 3.07Å
293	S	74.4	Confident	82.5	Confident	60 Å²	60	70.2 Å²	70.2	42%	0.42	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	23.1	175.2	77.1	0	0	0	0	114.1	H289 L290 H291 R295	H289-S293 WeakPolarHBondContact O-CB 3.3Å; H289-S293 PolarHBondContact O-N 2.99Å; H289-S293 PolarHBondContact O-OG 2.93Å; L290-S293 WeakPolarHBondContact CA-OG 3.11Å; L290-S293 CarbonylContact O-C 3.54Å; L290-S293 WeakPolarHBondContact O-CA 3.37Å; L290-S293 PolarHBondContact O-N 3.2Å; L290-S293 VanDerWaalsContact O-N 3.09Å; L290-S293 PolarHBondContact O-OG 2.89Å; H291-S293 PolarHBondContact O-N 3.26Å; S293-R295 PolarHBondContact O-N 2.99Å
294	S	66.6	Low	82.4	Confident	31 Å²	31	72 Å²	72	22%	0.217	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	20.7	179.6	-65.7	0	0	0	0	115	H291 L292 V455 N456	H291-S294 PolarHBondContact O-N 3.06Å; H291-S294 VanDerWaalsContact O-N 3.16Å; L292-S294 PolarHBondContact O-N 3.13Å; L292-S294 VanDerWaalsContact O-N 3.07Å; S294-V455 VanDerWaalsContact CB-CG1 3.43Å; S294-V455 WeakPolarHBondContact OG-CA 3.1Å; S294-V455 WeakPolarHBondContact OG-CG1 3.33Å; S294-V455 PolarHBondContact OG-O 3.26Å; S294-N456 VanDerWaalsContact CB-CG 3.47Å; S294-N456 WeakPolarHBondContact CB-ND2 3.15Å; S294-N456 WeakPolarHBondContact CB-OD1 3.5Å; S294-N456 PolarHBondContact OG-OD1 2.96Å
295	R	66.1	Low	82.5	Confident	171 Å²	171	71.1 Å²	71.1	65%	0.645	37%	0.37	S	S	*	.			trans	-98.1	114.9	172.9	-61.1	-179.3	178	-161.5	-1.4	108.3	L290 H291 S293 V297	L290-R295 WeakPolarHBondContact O-CB 3.44Å; L290-R295 PolarHBondContact O-N 2.85Å; H291-R295 WeakPolarHBondContact CA-O 3.43Å; S293-R295 PolarHBondContact O-N 2.99Å; R295-V297 PolarHBondContact O-N 2.72Å
296	A	65.8	Low	82.4	Confident	88 Å²	88	71.4 Å²	71.4	73%	0.727	37%	0.372	S	S	*	.			trans	-61.8	103.1	175.7	0	0	0	0	0	109.9	P298	A296-P298 WeakPolarHBondContact O-CD 3.26Å
297	V	75.5	Confident	82.5	Confident	27 Å²	27	67.9 Å²	67.9	16%	0.164	36%	0.361	C	S	.	.			trans	-84.5	116.7	166.9	-176.7	0	0	0	0	106.7	N287 L290 H291 R295 F300	N287-V297 HydrophobicContact CB-CG1 4.14Å; L290-V297 HydrophobicContact CB-CG2 3.88Å; H291-V297 HydrophobicContact CB-CG2 4.32Å; R295-V297 PolarHBondContact O-N 2.72Å; V297-F300 HydrophobicContact CB-CB 4.11Å; V297-F300 HydrophobicContact CG1-CB 4.18Å
298	P	70.4	Confident	82.6	Confident	104 Å²	104	66.6 Å²	66.6	68%	0.675	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	146.5	173.3	-22	34.1	0	0	0	110.7	A296 F300	A296-P298 WeakPolarHBondContact O-CD 3.26Å; P298-F300 PolarHBondContact O-N 3.25Å
299	D	75.2	Confident	82.8	Confident	164 Å²	164	65 Å²	65	88%	0.877	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	21.8	172.4	-44	-40	0	0	0	115	E301	D299-E301 PolarHBondContact O-N 2.93Å
300	F	82.9	Confident	83	Confident	30 Å²	30	66.1 Å²	66.1	13%	0.132	35%	0.354	C	S	.	.			trans	-75	122.2	172.1	-179.6	-94.2	0	0	0	111	N287 Y288 H291 V297 P298 Y302 T306	N287-F300 HydrophobicContact CB-CD2 4.11Å; N287-F300 HydrophobicContact CB-CE2 4.47Å; Y288-F300 HydrophobicContact CD2-CE1 4.18Å; Y288-F300 AromaticContact CD2-CZ 3.63Å; Y288-F300 HydrophobicContact CD2-CZ 3.63Å; Y288-F300 HydrophobicContact CG-CZ 4.23Å; H291-F300 HydrophobicContact CB-CD1 4.29Å; H291-F300 HydrophobicContact CB-CG 4.44Å; H291-F300 AromaticContact CE1-CD1 3.95Å; H291-F300 AromaticContact CG-CD1 3.81Å; H291-F300 AromaticContact ND1-CD1 3.63Å; H291-F300 AromaticContact ND1-CG 3.94Å; V297-F300 HydrophobicContact CB-CB 4.11Å; V297-F300 HydrophobicContact CG1-CB 4.18Å; P298-F300 PolarHBondContact O-N 3.25Å; F300-Y302 HydrophobicContact CD1-CD2 4.32Å; F300-Y302 HydrophobicContact CD1-CE2 4.12Å; F300-Y302 HydrophobicContact CE1-CD1 4.24Å; F300-Y302 AromaticContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CE1 4.18Å; F300-Y302 AromaticContact CE1-CE2 3.87Å; F300-Y302 HydrophobicContact CE1-CE2 3.87Å; F300-Y302 HydrophobicContact CE1-CG 4.14Å; F300-T306 HydrophobicContact CZ-CG2 4Å
301	E	83.8	Confident	83.3	Confident	166 Å²	166	64.6 Å²	64.6	78%	0.776	35%	0.345	S	S	*	.			trans	-111.8	140.2	176.8	-63.9	-171.7	164.6	0	0	111.6	D299	D299-E301 PolarHBondContact O-N 2.93Å
302	Y	87.2	Confident	83.7	Confident	60 Å²	60	65.2 Å²	65.2	24%	0.235	35%	0.351	C	S	.	.			trans	-80.2	138	173.4	-72.5	-97.2	0	0	0	110.3	Y288 H291 F300 H502	Y288-Y302 HydrophobicContact CE2-CE1 4.14Å; H291-Y302 PolarHBondContact CD2-OH 3.46Å; H291-Y302 VanDerWaalsContact CD2-OH 3.26Å; H291-Y302 AromaticContact NE2-CE2 3.95Å; H291-Y302 AromaticContact NE2-CZ 3.93Å; H291-Y302 PolarHBondContact NE2-OH 3.33Å; F300-Y302 HydrophobicContact CD1-CD2 4.32Å; F300-Y302 HydrophobicContact CD1-CE2 4.12Å; F300-Y302 HydrophobicContact CE1-CD1 4.24Å; F300-Y302 AromaticContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CD2 3.95Å; F300-Y302 HydrophobicContact CE1-CE1 4.18Å; F300-Y302 AromaticContact CE1-CE2 3.87Å; F300-Y302 HydrophobicContact CE1-CE2 3.87Å; F300-Y302 HydrophobicContact CE1-CG 4.14Å; Y302-H502 AromaticContact CD1-CD2 3.32Å; Y302-H502 WeakPolarHBondContact CD1-CD2 3.47Å; Y302-H502 AromaticContact CD1-NE2 3.76Å; Y302-H502 HydrophobicContact CD2-CB 3.64Å; Y302-H502 AromaticContact CD2-CD2 3.77Å; Y302-H502 AromaticContact CD2-CG 3.64Å; Y302-H502 AromaticContact CE1-CD2 3.58Å; Y302-H502 VanDerWaalsContact CE2-CA 3.5Å; Y302-H502 HydrophobicContact CE2-CB 3.52Å; Y302-H502 AromaticContact CE2-CG 3.93Å; Y302-H502 HydrophobicContact CG-CB 4.22Å; Y302-H502 AromaticContact CG-CD2 3.41Å; Y302-H502 VanDerWaalsContact CG-CD2 3.41Å; Y302-H502 AromaticContact CG-CG 3.71Å; Y302-H502 AromaticContact CG-NE2 3.8Å; Y302-H502 AromaticContact CZ-CD2 3.92Å
303	S	90.8	Very high	84.4	Confident	41 Å²	41	61.2 Å²	61.2	29%	0.287	33%	0.332	S	S	.	.			trans	-135.1	177.2	-174.9	82.1	0	0	0	0	112.2	R305 T306 T307	S303-R305 PolarHBondContact O-N 2.92Å; S303-R305 WeakPolarHBondContact OG-CB 3.45Å; S303-R305 PolarHBondContact OG-N 3.49Å; S303-T306 PolarHBondContact N-OG1 2.66Å; S303-T306 PolarHBondContact O-N 2.96Å; S303-T306 VanDerWaalsContact O-N 3.1Å; S303-T306 PolarHBondContact O-OG1 3.33Å; S303-T307 PolarHBondContact O-N 2.73Å; S303-T307 PolarHBondContact O-OG1 3.48Å
304	I	90.9	Very high	85.3	Confident	104 Å²	104	58.6 Å²	58.6	53%	0.533	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.5	-24.3	170.6	-168.8	58.7	0	0	0	112.4	T307	I304-T307 PolarHBondContact O-N 2.94Å
305	R	94.1	Very high	86.8	Confident	26 Å²	26	57.2 Å²	57.2	10%	0.098	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-79.1	-18.7	177.2	-63.1	169.4	49.7	72.8	8.1	113.1	L249 A250 V252 R253 P255 E284 S303	L249-R305 PolarHBondContact O-NH1 3.37Å; A250-R305 PolarHBondContact O-NH1 3.26Å; V252-R305 PolarHBondContact O-NH1 3.23Å; R253-R305 WeakPolarHBondContact CB-O 3.38Å; P255-R305 WeakPolarHBondContact CD-O 3.21Å; P255-R305 HydrophobicContact CG-CB 4.45Å; E284-R305 IonicContact OE1-NE 2.65Å; E284-R305 PolarHBondContact OE1-NE 3.12Å; E284-R305 IonicContact OE2-CZ 2.67Å; E284-R305 IonicContact OE2-NE 3.99Å; E284-R305 PolarHBondContact OE2-NE 2.97Å; E284-R305 IonicContact OE2-NH2 3.91Å; E284-R305 PolarHBondContact OE2-NH2 3.21Å; S303-R305 PolarHBondContact O-N 2.92Å; S303-R305 WeakPolarHBondContact OG-CB 3.45Å; S303-R305 PolarHBondContact OG-N 3.49Å
306	T	93.1	Very high	88.3	Confident	6 Å²	6	49 Å²	49	4%	0.037	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-97.8	5.3	173.6	64.5	0	0	0	0	112.8	P255 Y288 F300 S303	P255-T306 HydrophobicContact CB-CG2 4Å; P255-T306 HydrophobicContact CG-CG2 4Å; Y288-T306 HydrophobicContact CD2-CG2 3.88Å; Y288-T306 HydrophobicContact CE2-CG2 4.23Å; Y288-T306 HydrophobicContact CG-CG2 4.24Å; F300-T306 HydrophobicContact CZ-CG2 4Å; S303-T306 PolarHBondContact N-OG1 2.66Å; S303-T306 PolarHBondContact O-N 2.96Å; S303-T306 VanDerWaalsContact O-N 3.1Å; S303-T306 PolarHBondContact O-OG1 3.33Å
307	T	93.1	Very high	89.8	Confident	22 Å²	22	44.9 Å²	44.9	14%	0.135	24%	0.24	C	C	.	.	S	Bend	trans	-113.3	130.2	-178.3	-57.1	0	0	0	0	109.7	R253 L256 S303 I304 M549	R253-T307 VanDerWaalsContact CD-O 3.32Å; R253-T307 WeakPolarHBondContact CD-O 3.42Å; R253-T307 PolarHBondContact NH1-O 3.43Å; L256-T307 WeakPolarHBondContact CD1-O 3.43Å; S303-T307 PolarHBondContact O-N 2.73Å; S303-T307 PolarHBondContact O-OG1 3.48Å; I304-T307 PolarHBondContact O-N 2.94Å; T307-M549 HydrophobicContact CG2-CB 4.22Å
308	P	93.9	Very high	90.9	Very high	37 Å²	37	43.6 Å²	43.6	24%	0.24	23%	0.232	C	C	.	.			trans	-63.7	156.5	-179.2	25.8	-34.4	0	0	0	113.3	R253 L256 A313 M549	R253-P308 PolarHBondContact NH1-O 2.98Å; L256-P308 HydrophobicContact CD1-CB 4.3Å; P308-A313 HydrophobicContact CB-CB 4.19Å; P308-A313 HydrophobicContact CG-CB 3.88Å; P308-M549 WeakPolarHBondContact O-CE 3.47Å
309	R	94.6	Very high	92.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.			trans	-71.9	155.3	170	-63	-173.4	-161.3	-99.1	-1.1	109.4	L213 S215 E223 Q251 Q311 T312 A313	L213-R309 PolarHBondContact O-NH1 2.75Å; L213-R309 PolarHBondContact O-NH2 3.21Å; S215-R309 PolarHBondContact O-NH1 2.95Å; E223-R309 IonicContact OE1-CZ 2.65Å; E223-R309 IonicContact OE1-NE 2.67Å; E223-R309 PolarHBondContact OE1-NE 3.41Å; E223-R309 IonicContact OE1-NH2 2.67Å; E223-R309 PolarHBondContact OE1-NH2 3.31Å; E223-R309 IonicContact OE2-CZ 3.96Å; E223-R309 IonicContact OE2-NE 2.96Å; E223-R309 PolarHBondContact OE2-NE 2.92Å; E223-R309 IonicContact OE2-NH2 2.98Å; Q251-R309 PolarHBondContact O-NH2 2.77Å; R309-Q311 PolarHBondContact O-N 3.39Å; R309-Q311 VanDerWaalsContact O-N 3.12Å; R309-T312 PolarHBondContact N-OG1 2.96Å; R309-T312 CarbonylContact O-C 3.56Å; R309-T312 PolarHBondContact O-N 3.02Å; R309-T312 PolarHBondContact O-OG1 2.82Å; R309-A313 PolarHBondContact O-N 3.24Å
310	K	94.3	Very high	93.3	Very high	63 Å²	63	30.8 Å²	30.8	27%	0.274	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-40	-172.3	-65.7	-175.5	-163.7	158.6	0	112.6	S216 D217 T312 I337 M549	S216-K310 PolarHBondContact O-N 3.32Å; D217-K310 VanDerWaalsContact OD1-CD 3.27Å; D217-K310 WeakPolarHBondContact OD1-CD 3.49Å; D217-K310 WeakPolarHBondContact OD1-CE 3.35Å; D217-K310 IonicContact OD1-NZ 3.5Å; D217-K310 PolarHBondContact OD1-NZ 3.37Å; D217-K310 IonicContact OD2-NZ 3.71Å; D217-K310 PolarHBondContact OD2-NZ 3.01Å; K310-T312 PolarHBondContact O-N 3.33Å; K310-I337 HydrophobicContact CB-CG2 4.26Å; K310-I337 VanDerWaalsContact O-CG2 3.26Å; K310-I337 WeakPolarHBondContact O-CG2 3.4Å; K310-M549 HydrophobicContact CB-SD 4.33Å; K310-M549 HydrophobicContact CG-CE 3.97Å; K310-M549 HydrophobicContact CG-SD 3.9Å
311	Q	92.5	Very high	93.9	Very high	32 Å²	32	29.4 Å²	29.4	15%	0.15	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-32.8	179.1	-167.6	68.6	-21.6	0	0	113.6	N219 I220 R309 S338 L598	N219-Q311 PolarHBondContact OD1-NE2 3.34Å; I220-Q311 WeakPolarHBondContact O-CG 3.18Å; R309-Q311 PolarHBondContact O-N 3.39Å; R309-Q311 VanDerWaalsContact O-N 3.12Å; Q311-S338 PolarHBondContact OE1-OG 2.99Å; Q311-S338 VanDerWaalsContact OE1-OG 3.06Å; Q311-L598 HydrophobicContact CG-CD2 4.35Å; Q311-L598 VanDerWaalsContact O-CD2 3.3Å; Q311-L598 WeakPolarHBondContact O-CD2 3.37Å
312	T	93.1	Very high	94.4	Very high	41 Å²	41	23.6 Å²	23.6	25%	0.252	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-5	-177.3	56.4	0	0	0	0	114.4	I220 R309 K310 G314	I220-T312 HydrophobicContact CD1-CG2 4.26Å; I220-T312 HydrophobicContact CG1-CG2 3.79Å; I220-T312 WeakPolarHBondContact O-CG2 3.27Å; R309-T312 PolarHBondContact N-OG1 2.96Å; R309-T312 CarbonylContact O-C 3.56Å; R309-T312 PolarHBondContact O-N 3.02Å; R309-T312 PolarHBondContact O-OG1 2.82Å; K310-T312 PolarHBondContact O-N 3.33Å; T312-G314 PolarHBondContact O-N 3.26Å
313	A	93.5	Very high	94.5	Very high	12 Å²	12	20.9 Å²	20.9	10%	0.099	11%	0.113	C	C	.	.	S	Bend	trans	-69.3	-15.3	-176.7	0	0	0	0	0	113.9	P308 R309 I337 L548 M549	P308-A313 HydrophobicContact CB-CB 4.19Å; P308-A313 HydrophobicContact CG-CB 3.88Å; R309-A313 PolarHBondContact O-N 3.24Å; A313-I337 HydrophobicContact CB-CG2 4.16Å; A313-L548 HydrophobicContact CB-CD1 3.97Å; A313-L548 WeakPolarHBondContact O-CD1 3.42Å; A313-M549 HydrophobicContact CB-CG 3.38Å; A313-M549 HydrophobicContact CB-SD 3.77Å
314	G	94.6	Very high	94.2	Very high	6 Å²	6	21.9 Å²	21.9	6%	0.062	13%	0.13	C	C	.	.			trans	92.9	-177.3	-174	0	0	0	0	0	113.1	T312 C595 C597	T312-G314 PolarHBondContact O-N 3.26Å; G314-C595 CarbonylContact C-O 3.37Å; G314-C595 WeakPolarHBondContact CA-O 3.41Å; G314-C597 WeakPolarHBondContact CA-O 3.37Å
315	V	97.1	Very high	94	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.4	179.9	173.8	0	0	0	0	108.3	F317 C334 V594 C595	V315-F317 HydrophobicContact CB-CD2 4.38Å; V315-F317 HydrophobicContact CB-CE2 3.78Å; V315-F317 HydrophobicContact CG1-CD2 4.05Å; V315-F317 HydrophobicContact CG1-CE2 3.63Å; V315-F317 HydrophobicContact CG1-CZ 4.15Å; V315-F317 WeakPolarHBondContact O-CD2 3.34Å; V315-C334 HydrophobicContact CG1-CB 3.81Å; V315-V594 WeakPolarHBondContact O-CA 3.36Å; V315-C595 PolarHBondContact N-O 2.8Å; V315-C595 PolarHBondContact O-N 3Å
316	L	97.9	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.8	173.6	-178.4	156.6	0	0	0	109.2	C334 Y335 W342 A546 L548 F553 V555 V592 V594	L316-C334 CarbonylContact O-C 3.54Å; L316-C334 VanDerWaalsContact O-CA 3.31Å; L316-C334 WeakPolarHBondContact O-CA 3.27Å; L316-Y335 PolarHBondContact N-O 2.73Å; L316-Y335 PolarHBondContact O-N 3.4Å; L316-W342 HydrophobicContact CD2-CH2 3.34Å; L316-W342 HydrophobicContact CD2-CZ2 4.08Å; L316-W342 HydrophobicContact CD2-CZ3 4.01Å; L316-A546 HydrophobicContact CD1-CB 4.33Å; L316-L548 HydrophobicContact CB-CD2 4.24Å; L316-F553 HydrophobicContact CD1-CB 3.63Å; L316-F553 HydrophobicContact CD1-CD1 4.36Å; L316-F553 HydrophobicContact CD1-CD2 4.39Å; L316-F553 HydrophobicContact CD1-CG 3.89Å; L316-V555 HydrophobicContact CD2-CG2 4.24Å; L316-V592 HydrophobicContact CD1-CG1 4.29Å; L316-V592 HydrophobicContact CD2-CG1 3.81Å; L316-V592 HydrophobicContact CG-CG1 4.02Å; L316-V594 HydrophobicContact CB-CG2 4Å; L316-V594 HydrophobicContact CD1-CG2 4.26Å; L316-V594 HydrophobicContact CG-CG2 4.21Å
317	F	98.3	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.9	-179.9	-73.3	-106.3	0	0	0	109.9	V315 V319 I332 C334 V364 F382 V592 A593 C595 I602	V315-F317 HydrophobicContact CB-CD2 4.38Å; V315-F317 HydrophobicContact CB-CE2 3.78Å; V315-F317 HydrophobicContact CG1-CD2 4.05Å; V315-F317 HydrophobicContact CG1-CE2 3.63Å; V315-F317 HydrophobicContact CG1-CZ 4.15Å; V315-F317 WeakPolarHBondContact O-CD2 3.34Å; F317-V319 HydrophobicContact CB-CG2 4.03Å; F317-I332 HydrophobicContact CD1-CD1 4.15Å; F317-I332 HydrophobicContact CE1-CD1 4.22Å; F317-C334 VanDerWaalsContact CD1-SG 3.56Å; F317-C334 VanDerWaalsContact CE1-SG 3.52Å; F317-V364 HydrophobicContact CD1-CG2 4.19Å; F317-V364 HydrophobicContact CD2-CG2 3.9Å; F317-V364 HydrophobicContact CE1-CG2 4.31Å; F317-V364 HydrophobicContact CE2-CG2 4.05Å; F317-V364 HydrophobicContact CG-CG2 4Å; F317-V364 HydrophobicContact CZ-CG2 4.25Å; F317-F382 AromaticContact CE1-CD1 3.88Å; F317-F382 HydrophobicContact CE1-CD1 3.88Å; F317-F382 AromaticContact CE1-CE1 3.78Å; F317-F382 HydrophobicContact CE1-CE1 3.78Å; F317-F382 HydrophobicContact CZ-CD1 4.29Å; F317-F382 HydrophobicContact CZ-CE1 4.06Å; F317-V592 VanDerWaalsContact O-CA 3.23Å; F317-V592 WeakPolarHBondContact O-CA 3.42Å; F317-A593 PolarHBondContact N-O 3.09Å; F317-A593 PolarHBondContact O-N 2.68Å; F317-A593 VanDerWaalsContact O-N 3.11Å; F317-C595 HydrophobicContact CD2-CB 3.86Å; F317-C595 HydrophobicContact CE2-CB 3.48Å; F317-C595 VanDerWaalsContact CE2-CB 3.48Å; F317-C595 HydrophobicContact CZ-CB 4.4Å; F317-I602 HydrophobicContact CZ-CD1 3.97Å; F317-I602 HydrophobicContact CZ-CG1 4.19Å
318	C	97.9	Very high	93.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.6	166.7	-174.4	0	0	0	0	108.5	I332 E333 W342 V555 R587 V592	C318-I332 WeakPolarHBondContact O-CA 3.33Å; C318-E333 PolarHBondContact N-O 2.77Å; C318-E333 PolarHBondContact O-N 3.49Å; C318-W342 HydrophobicContact CB-CH2 4.09Å; C318-W342 HydrophobicContact CB-CZ3 3.83Å; C318-V555 HydrophobicContact CB-CG1 4.18Å; C318-R587 WeakPolarHBondContact SG-CD 3.4Å; C318-V592 HydrophobicContact CB-CG2 4.22Å
319	V	98.1	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.3	-164	175.1	0	0	0	0	110.4	F317 I332 M348 V355 V357 A366 W389 A590 G591	F317-V319 HydrophobicContact CB-CG2 4.03Å; V319-I332 HydrophobicContact CB-CG2 4.11Å; V319-I332 HydrophobicContact CG1-CG2 3.85Å; V319-I332 HydrophobicContact CG2-CB 4.21Å; V319-I332 HydrophobicContact CG2-CG2 3.88Å; V319-M348 HydrophobicContact CG1-CE 3.75Å; V319-M348 HydrophobicContact CG1-CG 4.22Å; V319-M348 HydrophobicContact CG1-SD 3.36Å; V319-M348 WeakPolarHBondContact CG1-SD 3.46Å; V319-V355 WeakPolarHBondContact O-CG1 3.4Å; V319-V357 HydrophobicContact CB-CG1 4.3Å; V319-V357 HydrophobicContact CB-CG2 3.88Å; V319-V357 HydrophobicContact CG1-CG2 4.05Å; V319-V357 HydrophobicContact CG2-CG1 4.14Å; V319-A366 HydrophobicContact CG1-CB 4.19Å; V319-W389 HydrophobicContact CG1-CH2 4.16Å; V319-W389 HydrophobicContact CG1-CZ2 4.48Å; V319-A590 WeakPolarHBondContact O-CA 3.41Å; V319-G591 PolarHBondContact N-O 2.89Å; V319-G591 PolarHBondContact O-N 3.16Å; V319-G591 VanDerWaalsContact O-N 3.14Å
320	G	97	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.			trans	64.9	-135.7	178	0	0	0	0	0	113.4	S331 R352 R587 A590	G320-S331 PolarHBondContact N-O 2.97Å; G320-R352 CarbonylContact C-O 3.55Å; G320-R352 WeakPolarHBondContact CA-O 3.42Å; G320-R587 PolarHBondContact O-NH1 3.33Å; G320-A590 WeakPolarHBondContact O-CB 3.25Å
321	G	95.9	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.			trans	83.5	-164.3	-169.7	0	0	0	0	0	112.3	P328 F329 R352 A588	G321-P328 WeakPolarHBondContact O-CA 3.18Å; G321-F329 PolarHBondContact O-N 3.41Å; G321-R352 PolarHBondContact N-O 2.94Å; G321-A588 WeakPolarHBondContact CA-O 3.2Å
322	R	94	Very high	94	Very high	44 Å²	44	24.4 Å²	24.4	17%	0.166	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-141.3	152.7	175.3	69.1	-176.8	-174.4	84.1	-3.2	111.9	D327 R353 Y563 R587 A588	R322-D327 WeakPolarHBondContact CB-O 3.46Å; R322-R353 HydrophobicContact CB-CB 4.32Å; R322-Y563 VanDerWaalsContact NH1-CE1 3.3Å; R322-Y563 PolarHBondContact NH1-OH 3.12Å; R322-Y563 PolarHBondContact NH2-OH 3.27Å; R322-R587 WeakPolarHBondContact O-CA 3.41Å; R322-A588 PolarHBondContact N-O 2.9Å; R322-A588 PolarHBondContact O-N 3.49Å
323	G	89.4	Confident	94.2	Very high	4 Å²	4	22.5 Å²	22.5	4%	0.041	14%	0.139	C	C	.	.			trans	-102.3	-158.9	172	0	0	0	0	0	113.3	S325 G326 F329 C586	G323-S325 VanDerWaalsContact C-N 3.33Å; G323-S325 PolarHBondContact O-N 3.35Å; G323-G326 PolarHBondContact O-N 3.01Å; G323-G326 VanDerWaalsContact O-N 3.12Å; G323-F329 VanDerWaalsContact N-CE2 3.26Å; G323-C586 WeakPolarHBondContact CA-O 3.46Å
324	G	85	Confident	94.3	Very high	61 Å²	61	21.9 Å²	21.9	63%	0.629	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-33.1	-179.1	0	0	0	0	0	114.7	G326	G324-G326 PolarHBondContact O-N 3.37Å
325	S	86.4	Confident	94.5	Very high	92 Å²	92	22.1 Å²	22.1	64%	0.643	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-15.9	174.6	57.4	0	0	0	0	114.1	G323 D327	G323-S325 VanDerWaalsContact C-N 3.33Å; G323-S325 PolarHBondContact O-N 3.35Å; S325-D327 PolarHBondContact O-N 3.28Å
326	G	84	Confident	94.3	Very high	21 Å²	21	22.2 Å²	22.2	22%	0.216	13%	0.134	C	C	.	.			trans	83.5	-18.6	179.8	0	0	0	0	0	115.5	G323 G324 R353	G323-G326 PolarHBondContact O-N 3.01Å; G323-G326 VanDerWaalsContact O-N 3.12Å; G324-G326 PolarHBondContact O-N 3.37Å; G326-R353 PolarHBondContact O-NH1 3.06Å
327	D	91.6	Very high	94	Very high	79 Å²	79	23.4 Å²	23.4	42%	0.422	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-63.4	140.1	176.4	-91.7	-60.5	0	0	0	112.5	R322 S325 R351	R322-D327 WeakPolarHBondContact CB-O 3.46Å; S325-D327 PolarHBondContact O-N 3.28Å; D327-R351 IonicContact OD1-NH1 3.94Å; D327-R351 PolarHBondContact OD1-NH1 2.98Å
328	P	95.8	Very high	93.6	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.045	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-72.6	145.7	172.2	-20.9	36.5	0	0	0	112.9	G321 R351 R353	G321-P328 WeakPolarHBondContact O-CA 3.18Å; P328-R351 HydrophobicContact CB-CB 4.14Å; P328-R351 HydrophobicContact CB-CG 4.2Å; P328-R351 WeakPolarHBondContact O-CB 3.44Å; P328-R353 HydrophobicContact CB-CB 4.04Å; P328-R353 HydrophobicContact CB-CG 4.22Å; P328-R353 HydrophobicContact CG-CB 4.13Å; P328-R353 HydrophobicContact CG-CG 3.8Å
329	F	96.1	Very high	93.2	Very high	21 Å²	21	32.2 Å²	32.2	9%	0.092	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-94.6	147.8	177.8	-59	-49.8	0	0	0	113.4	G321 G323 R351 R352 H585 R587	G321-F329 PolarHBondContact O-N 3.41Å; G323-F329 VanDerWaalsContact N-CE2 3.26Å; F329-R351 WeakPolarHBondContact O-CA 3.33Å; F329-R352 PolarHBondContact O-N 3.06Å; F329-H585 HydrophobicContact CE2-CB 4.26Å; F329-H585 HydrophobicContact CZ-CB 4.4Å; F329-R587 HydrophobicContact CD2-CG 4.25Å; F329-R587 HydrophobicContact CE2-CG 4.2Å
330	R	96.3	Very high	92.9	Very high	113 Å²	113	37.5 Å²	37.5	43%	0.426	21%	0.212	S	C	.	.			trans	-88.7	-27	158.8	-61.5	-177.3	-137.2	-86.5	-7.6	112.4	E347 M348 N349 R351	R330-E347 HydrophobicContact CB-CB 4.05Å; R330-M348 WeakPolarHBondContact CD-O 3.47Å; R330-M348 PolarHBondContact O-N 3.3Å; R330-N349 PolarHBondContact NH1-O 2.85Å; R330-R351 HydrophobicContact CG-CB 3.81Å
331	S	95.8	Very high	92.7	Very high	11 Å²	11	40.6 Å²	40.6	8%	0.077	23%	0.229	C	C	.	.			trans	-65.7	145	-171.1	61.9	0	0	0	0	111.7	G320 R587	G320-S331 PolarHBondContact N-O 2.97Å; S331-R587 PolarHBondContact O-NH1 3.31Å; S331-R587 PolarHBondContact OG-NH2 3.11Å
332	I	95.9	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.4	174.7	73.5	177.8	0	0	0	108.7	F317 C318 V319 F344 G345 P346 M348 W389	F317-I332 HydrophobicContact CD1-CD1 4.15Å; F317-I332 HydrophobicContact CE1-CD1 4.22Å; C318-I332 WeakPolarHBondContact O-CA 3.33Å; V319-I332 HydrophobicContact CB-CG2 4.11Å; V319-I332 HydrophobicContact CG1-CG2 3.85Å; V319-I332 HydrophobicContact CG2-CB 4.21Å; V319-I332 HydrophobicContact CG2-CG2 3.88Å; I332-F344 WeakPolarHBondContact O-CA 3.41Å; I332-G345 PolarHBondContact O-N 2.94Å; I332-P346 WeakPolarHBondContact CD1-O 3.39Å; I332-P346 WeakPolarHBondContact CG1-O 3.23Å; I332-M348 HydrophobicContact CG2-CG 4.29Å; I332-W389 HydrophobicContact CD1-CZ2 4.03Å; I332-W389 HydrophobicContact CG2-CZ2 3.93Å
333	E	96.9	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.3	173.8	-71.6	178.3	-111.6	0	0	108.2	C318 W342 F343 F344 V583 S584 H585 R587	C318-E333 PolarHBondContact N-O 2.77Å; C318-E333 PolarHBondContact O-N 3.49Å; E333-W342 HydrophobicContact CB-CE3 3.91Å; E333-W342 HydrophobicContact CB-CZ3 4.21Å; E333-W342 WeakPolarHBondContact O-CZ3 3.42Å; E333-F343 CarbonylContact C-O 3.58Å; E333-F343 WeakPolarHBondContact CA-O 3.45Å; E333-F344 HydrophobicContact CG-CD1 3.62Å; E333-F344 HydrophobicContact CG-CE1 3.54Å; E333-F344 HydrophobicContact CG-CG 4.2Å; E333-F344 HydrophobicContact CG-CZ 4.07Å; E333-V583 HydrophobicContact CB-CG1 4.15Å; E333-S584 WeakPolarHBondContact OE2-CA 3.27Å; E333-S584 WeakPolarHBondContact OE2-CB 3.34Å; E333-S584 PolarHBondContact OE2-N 2.93Å; E333-S584 PolarHBondContact OE2-OG 2.93Å; E333-H585 IonicContact OE1-CG 2.61Å; E333-H585 PolarHBondContact OE1-N 2.87Å; E333-H585 IonicContact OE1-ND1 3.12Å; E333-H585 PolarHBondContact OE1-ND1 2.92Å; E333-R587 IonicContact OE1-CZ 3.78Å; E333-R587 VanDerWaalsContact OE1-CZ 3.26Å; E333-R587 IonicContact OE1-NE 3.58Å; E333-R587 PolarHBondContact OE1-NE 3.43Å; E333-R587 IonicContact OE1-NH2 3.72Å; E333-R587 PolarHBondContact OE1-NH2 2.87Å
334	C	97.2	Very high	93	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.6	-173.3	-60.6	0	0	0	0	108.7	V315 L316 F317 W342 F343	V315-C334 HydrophobicContact CG1-CB 3.81Å; L316-C334 CarbonylContact O-C 3.54Å; L316-C334 VanDerWaalsContact O-CA 3.31Å; L316-C334 WeakPolarHBondContact O-CA 3.27Å; F317-C334 VanDerWaalsContact CD1-SG 3.56Å; F317-C334 VanDerWaalsContact CE1-SG 3.52Å; C334-W342 CarbonylContact O-C 3.51Å; C334-W342 VanDerWaalsContact O-CA 3.29Å; C334-W342 WeakPolarHBondContact O-CA 3.43Å; C334-F343 HydrophobicContact CB-CD1 4.14Å; C334-F343 HydrophobicContact CB-CD2 4.26Å; C334-F343 HydrophobicContact CB-CE1 3.63Å; C334-F343 HydrophobicContact CB-CE2 3.79Å; C334-F343 HydrophobicContact CB-CG 4.43Å; C334-F343 HydrophobicContact CB-CZ 3.45Å; C334-F343 VanDerWaalsContact CB-CZ 3.45Å; C334-F343 PolarHBondContact N-O 3.17Å; C334-F343 WeakPolarHBondContact O-CD1 3.49Å; C334-F343 WeakPolarHBondContact O-CE1 3.22Å; C334-F343 PolarHBondContact O-N 3.03Å
335	Y	96.9	Very high	93.5	Very high	11 Å²	11	38.7 Å²	38.7	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.5	177.9	176	-109	0	0	0	110.9	L316 I337 N340 N341 W342 L548 F553	L316-Y335 PolarHBondContact N-O 2.73Å; L316-Y335 PolarHBondContact O-N 3.4Å; Y335-I337 HydrophobicContact CD1-CB 4.49Å; Y335-I337 HydrophobicContact CE1-CB 3.86Å; Y335-I337 HydrophobicContact CE1-CD1 4.34Å; Y335-I337 HydrophobicContact CE1-CG1 4.16Å; Y335-N340 PolarHBondContact OH-OD1 3.23Å; Y335-N341 WeakPolarHBondContact CA-O 3.37Å; Y335-N341 WeakPolarHBondContact CD2-O 3.08Å; Y335-W342 AromaticContact CD2-CD1 3.74Å; Y335-W342 HydrophobicContact CD2-CD2 4.2Å; Y335-W342 AromaticContact CD2-CE2 3.93Å; Y335-W342 HydrophobicContact CD2-CG 4.12Å; Y335-W342 AromaticContact CD2-NE1 3.58Å; Y335-W342 HydrophobicContact CG-CD2 4.39Å; Y335-W342 HydrophobicContact CG-CZ2 4.36Å; Y335-L548 HydrophobicContact CD1-CD2 4.11Å; Y335-L548 HydrophobicContact CE1-CD2 4.23Å; Y335-F553 HydrophobicContact CD1-CE1 4.44Å; Y335-F553 AromaticContact CE1-CE1 3.9Å; Y335-F553 HydrophobicContact CE1-CE1 3.9Å; Y335-F553 HydrophobicContact CE1-CZ 4.26Å
336	S	93.9	Very high	94	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.4	176.7	-178.8	0	0	0	0	109.8	S338 K339 N340 N341 S599	S336-S338 VanDerWaalsContact C-N 3.25Å; S336-S338 PolarHBondContact O-N 3.33Å; S336-S338 PolarHBondContact OG-OG 3.27Å; S336-K339 CarbonylContact O-C 3.56Å; S336-K339 PolarHBondContact O-N 2.97Å; S336-N340 PolarHBondContact O-N 2.91Å; S336-N341 PolarHBondContact N-O 2.84Å; S336-N341 PolarHBondContact O-N 3.24Å; S336-S599 WeakPolarHBondContact OG-CB 3.4Å; S336-S599 PolarHBondContact OG-OG 2.77Å
337	I	92.2	Very high	94.6	Very high	26 Å²	26	36.5 Å²	36.5	13%	0.133	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25	-177.5	-167.7	153.3	0	0	0	113.6	K310 A313 Y335 K339 L548 M549 F553	K310-I337 HydrophobicContact CB-CG2 4.26Å; K310-I337 VanDerWaalsContact O-CG2 3.26Å; K310-I337 WeakPolarHBondContact O-CG2 3.4Å; A313-I337 HydrophobicContact CB-CG2 4.16Å; Y335-I337 HydrophobicContact CD1-CB 4.49Å; Y335-I337 HydrophobicContact CE1-CB 3.86Å; Y335-I337 HydrophobicContact CE1-CD1 4.34Å; Y335-I337 HydrophobicContact CE1-CG1 4.16Å; I337-K339 VanDerWaalsContact C-N 3.35Å; I337-L548 HydrophobicContact CB-CD2 4.15Å; I337-L548 HydrophobicContact CD1-CD2 3.79Å; I337-L548 HydrophobicContact CD1-CG 4.08Å; I337-L548 HydrophobicContact CG2-CD2 4.44Å; I337-M549 HydrophobicContact CD1-CB 4.27Å; I337-M549 HydrophobicContact CD1-CG 3.98Å; I337-M549 HydrophobicContact CD1-SD 3.49Å; I337-M549 WeakPolarHBondContact CD1-SD 3.25Å; I337-M549 HydrophobicContact CG1-SD 3.93Å; I337-M549 HydrophobicContact CG2-SD 4Å; I337-F553 HydrophobicContact CD1-CZ 4.37Å
338	S	89.2	Confident	94.8	Very high	41 Å²	41	32.9 Å²	32.9	29%	0.287	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.6	172	53.3	0	0	0	0	113.5	Q311 S336	Q311-S338 PolarHBondContact OE1-OG 2.99Å; Q311-S338 VanDerWaalsContact OE1-OG 3.06Å; S336-S338 VanDerWaalsContact C-N 3.25Å; S336-S338 PolarHBondContact O-N 3.33Å; S336-S338 PolarHBondContact OG-OG 3.27Å
339	K	89	Confident	94.8	Very high	144 Å²	144	36.8 Å²	36.8	63%	0.626	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-6.2	178.1	-64	-177.9	179.9	-179.4	0	113.4	S336 I337 N341	S336-K339 CarbonylContact O-C 3.56Å; S336-K339 PolarHBondContact O-N 2.97Å; I337-K339 VanDerWaalsContact C-N 3.35Å; K339-N341 VanDerWaalsContact CB-OD1 3.23Å; K339-N341 WeakPolarHBondContact CB-OD1 3.41Å; K339-N341 PolarHBondContact O-N 3.47Å
340	N	91.8	Very high	94.8	Very high	110 Å²	110	37.1 Å²	37.1	59%	0.588	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	43.4	-172.9	-167.8	33.9	0	0	0	113.4	Y335 S336	Y335-N340 PolarHBondContact OH-OD1 3.23Å; S336-N340 PolarHBondContact O-N 2.91Å
341	N	93.4	Very high	94.8	Very high	66 Å²	66	34.5 Å²	34.5	35%	0.353	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.5	-177.7	76.5	-24.3	0	0	0	113.6	Y335 S336 K339	Y335-N341 WeakPolarHBondContact CA-O 3.37Å; Y335-N341 WeakPolarHBondContact CD2-O 3.08Å; S336-N341 PolarHBondContact N-O 2.84Å; S336-N341 PolarHBondContact O-N 3.24Å; K339-N341 VanDerWaalsContact CB-OD1 3.23Å; K339-N341 WeakPolarHBondContact CB-OD1 3.41Å; K339-N341 PolarHBondContact O-N 3.47Å
342	W	95.3	Very high	94.9	Very high	36 Å²	36	34 Å²	34	14%	0.136	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.2	167	-72	89.7	0	0	0	110.1	L316 C318 E333 C334 Y335 V555 V567 V583	L316-W342 HydrophobicContact CD2-CH2 3.34Å; L316-W342 HydrophobicContact CD2-CZ2 4.08Å; L316-W342 HydrophobicContact CD2-CZ3 4.01Å; C318-W342 HydrophobicContact CB-CH2 4.09Å; C318-W342 HydrophobicContact CB-CZ3 3.83Å; E333-W342 HydrophobicContact CB-CE3 3.91Å; E333-W342 HydrophobicContact CB-CZ3 4.21Å; E333-W342 WeakPolarHBondContact O-CZ3 3.42Å; C334-W342 CarbonylContact O-C 3.51Å; C334-W342 VanDerWaalsContact O-CA 3.29Å; C334-W342 WeakPolarHBondContact O-CA 3.43Å; Y335-W342 AromaticContact CD2-CD1 3.74Å; Y335-W342 HydrophobicContact CD2-CD2 4.2Å; Y335-W342 AromaticContact CD2-CE2 3.93Å; Y335-W342 HydrophobicContact CD2-CG 4.12Å; Y335-W342 AromaticContact CD2-NE1 3.58Å; Y335-W342 HydrophobicContact CG-CD2 4.39Å; Y335-W342 HydrophobicContact CG-CZ2 4.36Å; W342-V555 HydrophobicContact CH2-CG1 4.13Å; W342-V555 HydrophobicContact CH2-CG2 3.99Å; W342-V555 HydrophobicContact CZ2-CG1 4.48Å; W342-V555 HydrophobicContact CZ2-CG2 4.13Å; W342-V567 HydrophobicContact CZ2-CG1 4.23Å; W342-V567 HydrophobicContact CZ2-CG2 3.71Å; W342-V583 HydrophobicContact CD2-CG1 3.68Å; W342-V583 HydrophobicContact CE3-CG1 3.53Å; W342-V583 HydrophobicContact CG-CG1 4.41Å; W342-V583 HydrophobicContact CH2-CG1 3.72Å; W342-V583 HydrophobicContact CZ2-CG1 3.93Å; W342-V583 HydrophobicContact CZ3-CG1 3.54Å
343	F	94.9	Very high	94.9	Very high	17 Å²	17	37 Å²	37	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.1	177.3	65.2	-80.9	0	0	0	110.1	E333 C334 I602 D604	E333-F343 CarbonylContact C-O 3.58Å; E333-F343 WeakPolarHBondContact CA-O 3.45Å; C334-F343 HydrophobicContact CB-CD1 4.14Å; C334-F343 HydrophobicContact CB-CD2 4.26Å; C334-F343 HydrophobicContact CB-CE1 3.63Å; C334-F343 HydrophobicContact CB-CE2 3.79Å; C334-F343 HydrophobicContact CB-CG 4.43Å; C334-F343 HydrophobicContact CB-CZ 3.45Å; C334-F343 VanDerWaalsContact CB-CZ 3.45Å; C334-F343 PolarHBondContact N-O 3.17Å; C334-F343 WeakPolarHBondContact O-CD1 3.49Å; C334-F343 WeakPolarHBondContact O-CE1 3.22Å; C334-F343 PolarHBondContact O-N 3.03Å; F343-I602 HydrophobicContact CE2-CB 3.87Å; F343-I602 HydrophobicContact CE2-CG2 3.72Å; F343-I602 HydrophobicContact CZ-CB 4.03Å; F343-I602 HydrophobicContact CZ-CG2 4.21Å; F343-D604 HydrophobicContact CD2-CB 3.99Å
344	F	95.8	Very high	94.9	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.066	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.8	-179.2	-71.5	-95.1	0	0	0	111.1	I332 E333 S584 H585 D604 V605 G606	I332-F344 WeakPolarHBondContact O-CA 3.41Å; E333-F344 HydrophobicContact CG-CD1 3.62Å; E333-F344 HydrophobicContact CG-CE1 3.54Å; E333-F344 HydrophobicContact CG-CG 4.2Å; E333-F344 HydrophobicContact CG-CZ 4.07Å; F344-S584 WeakPolarHBondContact CE2-OG 3.48Å; F344-S584 WeakPolarHBondContact CZ-OG 3.38Å; F344-H585 AromaticContact CE1-CE1 3.56Å; F344-H585 AromaticContact CE1-ND1 3.58Å; F344-H585 AromaticContact CZ-CE1 3.41Å; F344-H585 VanDerWaalsContact CZ-CE1 3.41Å; F344-H585 WeakPolarHBondContact CZ-CE1 3.38Å; F344-H585 AromaticContact CZ-ND1 3.53Å; F344-D604 VanDerWaalsContact O-CA 3.31Å; F344-D604 WeakPolarHBondContact O-CA 3.35Å; F344-V605 HydrophobicContact CB-CG2 3.55Å; F344-V605 PolarHBondContact O-N 3.19Å; F344-G606 VanDerWaalsContact CB-O 3.3Å; F344-G606 WeakPolarHBondContact CB-O 3.07Å; F344-G606 WeakPolarHBondContact CD2-O 3.37Å; F344-G606 WeakPolarHBondContact CG-O 3.23Å
345	G	95.7	Very high	94.9	Very high	1 Å²	1	40 Å²	40	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	175	170.3	0	0	0	0	0	112.3	I332 E347 V605	I332-G345 PolarHBondContact O-N 2.94Å; G345-E347 PolarHBondContact O-N 2.7Å; G345-V605 WeakPolarHBondContact O-CG2 3.39Å
346	P	96.1	Very high	95	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.039	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-56.9	132.1	175.7	-25	36.4	0	0	0	112.3	I332 F382 N387 W389 R603	I332-P346 WeakPolarHBondContact CD1-O 3.39Å; I332-P346 WeakPolarHBondContact CG1-O 3.23Å; P346-F382 HydrophobicContact CB-CE2 3.96Å; P346-F382 HydrophobicContact CG-CE2 3.77Å; P346-F382 HydrophobicContact CG-CZ 4.05Å; P346-N387 HydrophobicContact CG-CB 4.12Å; P346-W389 PolarHBondContact O-NE1 3.21Å; P346-R603 HydrophobicContact CG-CB 4.48Å
347	E	96.1	Very high	95.2	Very high	60 Å²	60	40.4 Å²	40.4	28%	0.28	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-69.8	149.4	-176.4	-53.8	-168.1	-174.8	0	0	113.4	R330 G345 S609	R330-E347 HydrophobicContact CB-CB 4.05Å; G345-E347 PolarHBondContact O-N 2.7Å; E347-S609 WeakPolarHBondContact OE1-CB 3.37Å; E347-S609 PolarHBondContact OE1-N 3.28Å; E347-S609 PolarHBondContact OE1-OG 3.12Å
348	M	97.1	Very high	95.5	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.02	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-64	157.5	170.5	-66	-178.1	-68.8	0	0	111.7	V319 R330 I332 S350 R352 A366 W389	V319-M348 HydrophobicContact CG1-CE 3.75Å; V319-M348 HydrophobicContact CG1-CG 4.22Å; V319-M348 HydrophobicContact CG1-SD 3.36Å; V319-M348 WeakPolarHBondContact CG1-SD 3.46Å; R330-M348 WeakPolarHBondContact CD-O 3.47Å; R330-M348 PolarHBondContact O-N 3.3Å; I332-M348 HydrophobicContact CG2-CG 4.29Å; M348-S350 WeakPolarHBondContact CB-O 3.46Å; M348-R352 HydrophobicContact CE-CB 4.18Å; M348-R352 HydrophobicContact CE-CG 4.17Å; M348-R352 HydrophobicContact SD-CG 4.32Å; M348-A366 HydrophobicContact SD-CB 3.75Å; M348-W389 HydrophobicContact CB-CD2 4.47Å; M348-W389 HydrophobicContact CG-CD2 3.94Å; M348-W389 HydrophobicContact CG-CE3 4.14Å; M348-W389 HydrophobicContact CG-CH2 3.87Å; M348-W389 HydrophobicContact CG-CZ2 3.65Å; M348-W389 HydrophobicContact CG-CZ3 4.11Å; M348-W389 HydrophobicContact SD-CH2 4.36Å
349	N	96.1	Very high	95.9	Very high	88 Å²	88	39.8 Å²	39.8	47%	0.471	20%	0.195	S	C	.	.	S	Bend	trans	-68.6	-45.9	173.2	-53.8	-84.9	0	0	0	110.2	R330 E380 W389 M391	R330-N349 PolarHBondContact NH1-O 2.85Å; N349-E380 WeakPolarHBondContact CB-OE2 3.3Å; N349-E380 PolarHBondContact N-OE2 3.47Å; N349-E380 PolarHBondContact ND2-OE2 3.03Å; N349-W389 WeakPolarHBondContact ND2-CB 3.08Å; N349-W389 PolarHBondContact ND2-O 2.85Å; N349-M391 HydrophobicContact CB-SD 4.49Å
350	S	95.3	Very high	96.2	Very high	29 Å²	29	34 Å²	34	20%	0.203	17%	0.172	C	C	.	.	S	Bend	trans	-97.3	142.9	178.7	-38.1	0	0	0	0	111.4	M348 R352 E380	M348-S350 WeakPolarHBondContact CB-O 3.46Å; S350-R352 PolarHBondContact OG-NH2 3.42Å; S350-E380 WeakPolarHBondContact CB-OE1 3.5Å; S350-E380 PolarHBondContact N-OE1 3.01Å; S350-E380 PolarHBondContact OG-OE1 2.97Å
351	R	96.8	Very high	96.2	Very high	58 Å²	58	32.4 Å²	32.4	22%	0.219	18%	0.182	C	C	.	.			trans	-77.8	139.3	168.2	61.5	-178.2	179.5	155.9	13	109.3	D327 P328 F329 R330 D371 N373	D327-R351 IonicContact OD1-NH1 3.94Å; D327-R351 PolarHBondContact OD1-NH1 2.98Å; P328-R351 HydrophobicContact CB-CB 4.14Å; P328-R351 HydrophobicContact CB-CG 4.2Å; P328-R351 WeakPolarHBondContact O-CB 3.44Å; F329-R351 WeakPolarHBondContact O-CA 3.33Å; R330-R351 HydrophobicContact CG-CB 3.81Å; R351-D371 WeakPolarHBondContact CD-O 3.45Å; R351-D371 HydrophobicContact CG-CB 4.25Å; R351-D371 VanDerWaalsContact CG-O 3.27Å; R351-D371 WeakPolarHBondContact CG-O 3.49Å; R351-D371 PolarHBondContact NE-O 3.46Å; R351-D371 PolarHBondContact NH2-O 3.08Å; R351-D371 VanDerWaalsContact O-CA 3.31Å; R351-D371 WeakPolarHBondContact O-CA 3.5Å; R351-D371 WeakPolarHBondContact O-CB 3.41Å; R351-N373 PolarHBondContact NH2-ND2 2.87Å
352	R	97.3	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.			trans	-145.2	124.9	-171.9	-51.9	-178	175.1	-101.3	-6.7	112.6	G320 G321 F329 M348 S350 V355 G368 L376 S378 E380	G320-R352 CarbonylContact C-O 3.55Å; G320-R352 WeakPolarHBondContact CA-O 3.42Å; G321-R352 PolarHBondContact N-O 2.94Å; F329-R352 PolarHBondContact O-N 3.06Å; M348-R352 HydrophobicContact CE-CB 4.18Å; M348-R352 HydrophobicContact CE-CG 4.17Å; M348-R352 HydrophobicContact SD-CG 4.32Å; S350-R352 PolarHBondContact OG-NH2 3.42Å; R352-V355 HydrophobicContact CB-CB 3.83Å; R352-V355 HydrophobicContact CB-CG1 4.31Å; R352-V355 HydrophobicContact CB-CG2 3.94Å; R352-V355 HydrophobicContact CG-CG2 4.43Å; R352-G368 PolarHBondContact NH1-O 3.36Å; R352-L376 HydrophobicContact CG-CD1 3.9Å; R352-S378 PolarHBondContact NH1-O 3.22Å; R352-S378 PolarHBondContact NH2-OG 2.91Å; R352-E380 IonicContact CZ-OE1 2.99Å; R352-E380 IonicContact NE-OE1 3.82Å; R352-E380 PolarHBondContact NE-OE1 2.85Å; R352-E380 VanDerWaalsContact NE-OE1 3.12Å; R352-E380 VanDerWaalsContact NH2-CG 3.32Å; R352-E380 IonicContact NH2-OE1 2.99Å; R352-E380 PolarHBondContact NH2-OE1 3.45Å
353	R	95.9	Very high	96.4	Very high	64 Å²	64	32 Å²	32	24%	0.242	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-113.1	152	165.6	67	171.9	-179.7	-163.6	8.1	110.9	R322 G326 P328 V355 G369 H370	R322-R353 HydrophobicContact CB-CB 4.32Å; G326-R353 PolarHBondContact O-NH1 3.06Å; P328-R353 HydrophobicContact CB-CB 4.04Å; P328-R353 HydrophobicContact CB-CG 4.22Å; P328-R353 HydrophobicContact CG-CB 4.13Å; P328-R353 HydrophobicContact CG-CG 3.8Å; R353-V355 PolarHBondContact O-N 2.97Å; R353-G369 CarbonylContact O-C 3.53Å; R353-G369 WeakPolarHBondContact O-CA 3.17Å; R353-H370 HydrophobicContact CG-CB 3.97Å; R353-H370 WeakPolarHBondContact CG-O 3.47Å; R353-H370 PolarHBondContact N-O 3.12Å; R353-H370 PolarHBondContact NE-ND1 3.35Å; R353-H370 PolarHBondContact NH2-CE1 2.88Å; R353-H370 PolarHBondContact NH2-ND1 2.63Å; R353-H370 PolarHBondContact O-N 2.92Å
354	H	96.7	Very high	96.5	Very high	53 Å²	53	31.1 Å²	31.1	25%	0.245	18%	0.181	C	C	.	.	S	Bend	trans	51.8	46.4	-173.2	-53.8	-78.6	0	0	0	111.6	G369 R400 G401 G589	H354-G369 WeakPolarHBondContact O-CA 3.31Å; H354-R400 HydrophobicContact CB-CB 4.23Å; H354-G401 PolarHBondContact O-N 2.83Å; H354-G589 VanDerWaalsContact CA-O 3.22Å; H354-G589 WeakPolarHBondContact CA-O 3.3Å; H354-G589 PolarHBondContact N-O 2.96Å
355	V	97.9	Very high	96.7	Very high	9 Å²	9	31 Å²	31	6%	0.055	18%	0.18	C	C	.	.			trans	-90.9	137.4	-174.2	59.1	0	0	0	0	110.6	V319 R352 R353 V357 A366 V367 G589	V319-V355 WeakPolarHBondContact O-CG1 3.4Å; R352-V355 HydrophobicContact CB-CB 3.83Å; R352-V355 HydrophobicContact CB-CG1 4.31Å; R352-V355 HydrophobicContact CB-CG2 3.94Å; R352-V355 HydrophobicContact CG-CG2 4.43Å; R353-V355 PolarHBondContact O-N 2.97Å; V355-V357 HydrophobicContact CG1-CG2 4.01Å; V355-V357 HydrophobicContact CG2-CG2 4.12Å; V355-A366 HydrophobicContact CG2-CB 4.25Å; V355-V367 WeakPolarHBondContact CG2-O 3.19Å; V355-G589 PolarHBondContact N-O 3.09Å
356	G	98.1	Very high	96.8	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.3	169.8	0	0	0	0	0	109.7	V367 L404	G356-V367 PolarHBondContact N-O 3.44Å; G356-V367 PolarHBondContact O-N 2.65Å; G356-L404 WeakPolarHBondContact O-CD1 3.34Å
357	V	98.4	Very high	96.9	Very high	17 Å²	17	30.6 Å²	30.6	10%	0.103	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.8	-179.8	178.2	0	0	0	0	110	V319 V355 V364 Y365 A366 A593	V319-V357 HydrophobicContact CB-CG1 4.3Å; V319-V357 HydrophobicContact CB-CG2 3.88Å; V319-V357 HydrophobicContact CG1-CG2 4.05Å; V319-V357 HydrophobicContact CG2-CG1 4.14Å; V355-V357 HydrophobicContact CG1-CG2 4.01Å; V355-V357 HydrophobicContact CG2-CG2 4.12Å; V357-V364 HydrophobicContact CG1-CG1 3.71Å; V357-Y365 VanDerWaalsContact CA-O 3.27Å; V357-Y365 WeakPolarHBondContact CA-O 3.47Å; V357-A366 HydrophobicContact CG2-CB 4.42Å; V357-A593 HydrophobicContact CG1-CB 4.05Å
358	I	98.1	Very high	97	Very high	24 Å²	24	27.8 Å²	27.8	12%	0.123	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.4	-179.7	-165.9	163.9	0	0	0	110.8	V360 Y365 L404 I411	I358-V360 HydrophobicContact CG1-CG2 4.35Å; I358-V360 HydrophobicContact CG2-CG2 4.44Å; I358-Y365 PolarHBondContact N-O 2.96Å; I358-Y365 VanDerWaalsContact N-O 3.11Å; I358-Y365 PolarHBondContact O-N 2.82Å; I358-L404 HydrophobicContact CB-CB 4.01Å; I358-L404 HydrophobicContact CB-CD1 3.95Å; I358-L404 HydrophobicContact CD1-CB 4.2Å; I358-L404 HydrophobicContact CG2-CB 4.19Å; I358-L404 HydrophobicContact CG2-CD1 3.59Å; I358-I411 HydrophobicContact CG2-CD1 3.91Å; I358-I411 HydrophobicContact CG2-CG1 4.22Å; I358-I411 HydrophobicContact CG2-CG2 4.05Å
359	S	97.2	Very high	97.1	Very high	30 Å²	30	27.6 Å²	27.6	21%	0.21	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.7	172.6	167.1	0	0	0	0	109.9	K363 V594 C595	S359-K363 WeakPolarHBondContact CA-O 3.37Å; S359-V594 WeakPolarHBondContact CB-O 3.47Å; S359-V594 PolarHBondContact OG-O 3.26Å; S359-C595 WeakPolarHBondContact OG-CA 3.43Å
360	V	95.9	Very high	97.1	Very high	22 Å²	22	24 Å²	24	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133	172.8	-172.5	0	0	0	0	109.4	I358 G362 K363 Y365 I411 I431	I358-V360 HydrophobicContact CG1-CG2 4.35Å; I358-V360 HydrophobicContact CG2-CG2 4.44Å; V360-G362 VanDerWaalsContact C-N 3.28Å; V360-G362 PolarHBondContact O-N 2.98Å; V360-K363 PolarHBondContact N-O 3.12Å; V360-K363 PolarHBondContact O-N 3.46Å; V360-K363 VanDerWaalsContact O-N 3.12Å; V360-Y365 HydrophobicContact CB-CD2 4.47Å; V360-Y365 HydrophobicContact CB-CE2 4.02Å; V360-I411 HydrophobicContact CG2-CD1 3.96Å; V360-I411 HydrophobicContact CG2-CG1 3.75Å; V360-I431 HydrophobicContact CB-CD1 4.1Å; V360-I431 HydrophobicContact CG1-CD1 3.6Å
361	G	92.5	Very high	97.2	Very high	78 Å²	78	24 Å²	24	80%	0.804	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	31.4	176.1	0	0	0	0	0	114.7	K363	G361-K363 VanDerWaalsContact C-N 3.32Å; G361-K363 PolarHBondContact O-N 2.92Å
362	G	94.3	Very high	97.1	Very high	24 Å²	24	22.7 Å²	22.7	25%	0.247	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	18.5	-177.4	0	0	0	0	0	114.5	V360 P384 C595	V360-G362 VanDerWaalsContact C-N 3.28Å; V360-G362 PolarHBondContact O-N 2.98Å; G362-P384 VanDerWaalsContact O-CD 3.27Å; G362-P384 WeakPolarHBondContact O-CD 3.4Å; G362-P384 WeakPolarHBondContact O-CG 3.24Å; G362-C595 PolarHBondContact O-SG 2.68Å; G362-C595 VanDerWaalsContact O-SG 3.35Å
363	K	97.3	Very high	97	Very high	68 Å²	68	28.7 Å²	28.7	30%	0.296	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.8	177.5	-54.3	-166.8	-168.2	-159.6	0	111	S359 V360 G361 Y365 V381 F382 D383	S359-K363 WeakPolarHBondContact CA-O 3.37Å; V360-K363 PolarHBondContact N-O 3.12Å; V360-K363 PolarHBondContact O-N 3.46Å; V360-K363 VanDerWaalsContact O-N 3.12Å; G361-K363 VanDerWaalsContact C-N 3.32Å; G361-K363 PolarHBondContact O-N 2.92Å; K363-Y365 HydrophobicContact CB-CE2 4.07Å; K363-V381 HydrophobicContact CB-CG2 3.7Å; K363-V381 HydrophobicContact CD-CG2 4.18Å; K363-F382 WeakPolarHBondContact CA-O 3Å; K363-F382 WeakPolarHBondContact CB-O 3.22Å; K363-D383 HydrophobicContact CD-CB 4.3Å; K363-D383 VanDerWaalsContact CE-OD2 3.23Å; K363-D383 WeakPolarHBondContact CE-OD2 3.5Å; K363-D383 IonicContact NZ-OD2 2.69Å; K363-D383 PolarHBondContact NZ-OD2 2.66Å
364	V	98.5	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.4	-179	-177.7	0	0	0	0	109.4	F317 V357 V381 F382 C595	F317-V364 HydrophobicContact CD1-CG2 4.19Å; F317-V364 HydrophobicContact CD2-CG2 3.9Å; F317-V364 HydrophobicContact CE1-CG2 4.31Å; F317-V364 HydrophobicContact CE2-CG2 4.05Å; F317-V364 HydrophobicContact CG-CG2 4Å; F317-V364 HydrophobicContact CZ-CG2 4.25Å; V357-V364 HydrophobicContact CG1-CG1 3.71Å; V364-V381 CarbonylContact O-C 3.53Å; V364-V381 WeakPolarHBondContact O-CA 3.42Å; V364-F382 HydrophobicContact CB-CB 4.29Å; V364-F382 PolarHBondContact N-O 3.49Å; V364-F382 VanDerWaalsContact N-O 3.1Å; V364-F382 PolarHBondContact O-N 3.25Å; V364-C595 HydrophobicContact CG2-CB 3.68Å
365	Y	98.6	Very high	97	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.5	179.1	-63.9	-100	0	0	0	109.4	V357 I358 V360 K363 M379 E380 V381 I411 Y429	V357-Y365 VanDerWaalsContact CA-O 3.27Å; V357-Y365 WeakPolarHBondContact CA-O 3.47Å; I358-Y365 PolarHBondContact N-O 2.96Å; I358-Y365 VanDerWaalsContact N-O 3.11Å; I358-Y365 PolarHBondContact O-N 2.82Å; V360-Y365 HydrophobicContact CB-CD2 4.47Å; V360-Y365 HydrophobicContact CB-CE2 4.02Å; K363-Y365 HydrophobicContact CB-CE2 4.07Å; Y365-M379 HydrophobicContact CD1-CG 4.47Å; Y365-M379 HydrophobicContact CD1-SD 3.78Å; Y365-E380 WeakPolarHBondContact CA-O 3.25Å; Y365-V381 HydrophobicContact CD1-CB 3.82Å; Y365-V381 HydrophobicContact CD1-CG2 3.77Å; Y365-V381 HydrophobicContact CD2-CG2 4.21Å; Y365-V381 HydrophobicContact CE1-CB 3.79Å; Y365-V381 HydrophobicContact CE1-CG2 3.52Å; Y365-V381 HydrophobicContact CE2-CG2 3.97Å; Y365-V381 HydrophobicContact CG-CB 4.46Å; Y365-V381 HydrophobicContact CG-CG2 4.11Å; Y365-I411 HydrophobicContact CD1-CD1 3.93Å; Y365-I411 HydrophobicContact CD2-CD1 3.74Å; Y365-I411 HydrophobicContact CE1-CD1 4.24Å; Y365-I411 HydrophobicContact CE2-CD1 4.09Å; Y365-I411 HydrophobicContact CG-CD1 3.67Å; Y365-Y429 HydrophobicContact CE1-CE1 4.27Å
366	A	98.6	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.8	171.6	0	0	0	0	0	109	V319 M348 V355 V357 M379 E380 W389	V319-A366 HydrophobicContact CG1-CB 4.19Å; M348-A366 HydrophobicContact SD-CB 3.75Å; V355-A366 HydrophobicContact CG2-CB 4.25Å; V357-A366 HydrophobicContact CG2-CB 4.42Å; A366-M379 WeakPolarHBondContact O-CA 3.39Å; A366-E380 PolarHBondContact N-O 3.02Å; A366-E380 PolarHBondContact O-N 2.8Å; A366-W389 HydrophobicContact CB-CH2 4Å; A366-W389 HydrophobicContact CB-CZ3 3.71Å
367	V	98.6	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.4	-166.6	-170.4	0	0	0	0	110.2	V355 G356 M379 M395 I402 L404 W436	V355-V367 WeakPolarHBondContact CG2-O 3.19Å; G356-V367 PolarHBondContact N-O 3.44Å; G356-V367 PolarHBondContact O-N 2.65Å; V367-M379 HydrophobicContact CG2-CB 4.43Å; V367-M379 HydrophobicContact CG2-CG 3.9Å; V367-M379 HydrophobicContact CG2-SD 3.65Å; V367-M395 HydrophobicContact CG1-CE 3.82Å; V367-M395 HydrophobicContact CG1-CG 4.15Å; V367-M395 HydrophobicContact CG1-SD 3.45Å; V367-M395 WeakPolarHBondContact CG1-SD 3.3Å; V367-I402 HydrophobicContact CB-CD1 3.93Å; V367-I402 HydrophobicContact CG1-CD1 3.82Å; V367-I402 VanDerWaalsContact O-CD1 3.23Å; V367-I402 WeakPolarHBondContact O-CD1 3.4Å; V367-L404 HydrophobicContact CB-CD1 3.95Å; V367-L404 HydrophobicContact CB-CD2 4.16Å; V367-L404 HydrophobicContact CG1-CD2 4.37Å; V367-L404 HydrophobicContact CG2-CD1 3.58Å; V367-L404 HydrophobicContact CG2-CD2 4.26Å; V367-W436 HydrophobicContact CG1-CH2 3.95Å; V367-W436 HydrophobicContact CG1-CZ2 3.92Å
368	G	98.3	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.184	C	C	.	.			trans	55.6	-143.2	175.2	0	0	0	0	0	114	R352 L376 S378	R352-G368 PolarHBondContact NH1-O 3.36Å; G368-L376 VanDerWaalsContact CA-O 3.24Å; G368-L376 WeakPolarHBondContact CA-O 3.48Å; G368-S378 PolarHBondContact N-O 2.99Å
369	G	97.9	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.178	C	C	.	.			trans	94	-158.5	-174	0	0	0	0	0	112.3	R353 H354 L376 R399	R353-G369 CarbonylContact O-C 3.53Å; R353-G369 WeakPolarHBondContact O-CA 3.17Å; H354-G369 WeakPolarHBondContact O-CA 3.31Å; G369-L376 PolarHBondContact O-N 2.97Å; G369-R399 PolarHBondContact N-O 2.88Å
370	H	97.3	Very high	97.1	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.065	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-133.5	133.1	179.2	-175.8	-88.9	0	0	0	110.1	R353 G372 E374 H375 R400	R353-H370 HydrophobicContact CG-CB 3.97Å; R353-H370 WeakPolarHBondContact CG-O 3.47Å; R353-H370 PolarHBondContact N-O 3.12Å; R353-H370 PolarHBondContact NE-ND1 3.35Å; R353-H370 PolarHBondContact NH2-CE1 2.88Å; R353-H370 PolarHBondContact NH2-ND1 2.63Å; R353-H370 PolarHBondContact O-N 2.92Å; H370-G372 WeakPolarHBondContact CE1-CA 3.28Å; H370-G372 PolarHBondContact CE1-N 3.32Å; H370-G372 WeakPolarHBondContact ND1-CA 3.13Å; H370-G372 PolarHBondContact ND1-N 2.67Å; H370-E374 WeakPolarHBondContact CA-O 3.46Å; H370-E374 PolarHBondContact CD2-O 3.11Å; H370-E374 VanDerWaalsContact CD2-O 3.29Å; H370-H375 AromaticContact CD2-CE1 3.67Å; H370-H375 AromaticContact CD2-ND1 3.5Å; H370-H375 PolarHBondContact CD2-ND1 2.82Å; H370-R400 HydrophobicContact CB-CB 4.19Å
371	D	96.7	Very high	97.2	Very high	29 Å²	29	25.7 Å²	25.7	16%	0.155	16%	0.163	C	C	.	.			trans	-88.3	-6.7	-177.4	88.9	-39.1	0	0	0	113.7	R351 N373 E374 L376	R351-D371 WeakPolarHBondContact CD-O 3.45Å; R351-D371 HydrophobicContact CG-CB 4.25Å; R351-D371 VanDerWaalsContact CG-O 3.27Å; R351-D371 WeakPolarHBondContact CG-O 3.49Å; R351-D371 PolarHBondContact NE-O 3.46Å; R351-D371 PolarHBondContact NH2-O 3.08Å; R351-D371 VanDerWaalsContact O-CA 3.31Å; R351-D371 WeakPolarHBondContact O-CA 3.5Å; R351-D371 WeakPolarHBondContact O-CB 3.41Å; D371-N373 WeakPolarHBondContact OD1-CA 3.32Å; D371-N373 WeakPolarHBondContact OD1-CB 3.4Å; D371-N373 PolarHBondContact OD1-N 3.13Å; D371-N373 PolarHBondContact OD2-ND2 3.32Å; D371-E374 PolarHBondContact N-O 2.76Å; D371-E374 VanDerWaalsContact N-O 3.07Å; D371-E374 PolarHBondContact OD1-N 3.12Å; D371-L376 HydrophobicContact CB-CD1 4.13Å; D371-L376 HydrophobicContact CB-CD2 4.18Å; D371-L376 HydrophobicContact CB-CG 4.34Å
372	G	94.9	Very high	97.5	Very high	30 Å²	30	22 Å²	22	31%	0.309	13%	0.125	S	C	.	.	S	Bend	trans	110	-20.2	-175.7	0	0	0	0	0	112.5	H370	H370-G372 WeakPolarHBondContact CE1-CA 3.28Å; H370-G372 PolarHBondContact CE1-N 3.32Å; H370-G372 WeakPolarHBondContact ND1-CA 3.13Å; H370-G372 PolarHBondContact ND1-N 2.67Å
373	N	94.4	Very high	97.6	Very high	125 Å²	125	21.5 Å²	21.5	67%	0.668	12%	0.117	S	C	*	.	S	Bend	trans	-114.9	-42.3	176.8	-48	-56.9	0	0	0	111.8	R351 D371	R351-N373 PolarHBondContact NH2-ND2 2.87Å; D371-N373 WeakPolarHBondContact OD1-CA 3.32Å; D371-N373 WeakPolarHBondContact OD1-CB 3.4Å; D371-N373 PolarHBondContact OD1-N 3.13Å; D371-N373 PolarHBondContact OD2-ND2 3.32Å
374	E	96.5	Very high	97.6	Very high	93 Å²	93	18.4 Å²	18.4	44%	0.435	10%	0.104	S	C	.	.	S	Bend	trans	-141.1	161.3	-178.8	65.9	169.3	159.8	0	0	114.1	H370 D371 L376 K398	H370-E374 WeakPolarHBondContact CA-O 3.46Å; H370-E374 PolarHBondContact CD2-O 3.11Å; H370-E374 VanDerWaalsContact CD2-O 3.29Å; D371-E374 PolarHBondContact N-O 2.76Å; D371-E374 VanDerWaalsContact N-O 3.07Å; D371-E374 PolarHBondContact OD1-N 3.12Å; E374-L376 HydrophobicContact CG-CD2 4.42Å; E374-K398 IonicContact OE1-NZ 2.73Å; E374-K398 IonicContact OE2-NZ 2.96Å; E374-K398 PolarHBondContact OE2-NZ 3.05Å
375	H	97.8	Very high	97.4	Very high	21 Å²	21	24.6 Å²	24.6	10%	0.097	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-72.2	140.8	166.2	-49.6	-69.5	0	0	0	109.9	H370 K398 D419	H370-H375 AromaticContact CD2-CE1 3.67Å; H370-H375 AromaticContact CD2-ND1 3.5Å; H370-H375 PolarHBondContact CD2-ND1 2.82Å; H375-K398 HydrophobicContact CB-CB 4.19Å; H375-K398 WeakPolarHBondContact O-CD 3.46Å; H375-D419 IonicContact CD2-OD2 2.68Å; H375-D419 IonicContact CE1-OD1 2.97Å; H375-D419 PolarHBondContact CE1-OD1 3.07Å; H375-D419 IonicContact CE1-OD2 3.75Å; H375-D419 IonicContact NE2-OD1 3.12Å; H375-D419 PolarHBondContact NE2-OD1 3.1Å; H375-D419 IonicContact NE2-OD2 3.25Å; H375-D419 PolarHBondContact NE2-OD2 2.9Å
376	L	98.1	Very high	97.3	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.073	16%	0.155	C	C	.	.			trans	-101.8	137.6	-175.8	-60.9	177	0	0	0	110.8	R352 G368 G369 D371 E374 R399	R352-L376 HydrophobicContact CG-CD1 3.9Å; G368-L376 VanDerWaalsContact CA-O 3.24Å; G368-L376 WeakPolarHBondContact CA-O 3.48Å; G369-L376 PolarHBondContact O-N 2.97Å; D371-L376 HydrophobicContact CB-CD1 4.13Å; D371-L376 HydrophobicContact CB-CD2 4.18Å; D371-L376 HydrophobicContact CB-CG 4.34Å; E374-L376 HydrophobicContact CG-CD2 4.42Å; L376-R399 PolarHBondContact O-N 3.18Å; L376-R399 VanDerWaalsContact O-N 3.08Å
377	G	97.6	Very high	97.3	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	16%	0.163	C	C	.	.			trans	-100.7	-11.7	160.1	0	0	0	0	0	112.1	S394 M395	G377-S394 CarbonylContact O-C 3.51Å; G377-S394 VanDerWaalsContact O-CA 3.31Å; G377-S394 WeakPolarHBondContact O-CA 3.43Å; G377-S394 WeakPolarHBondContact O-CB 3.34Å; G377-M395 PolarHBondContact O-N 2.73Å
378	S	98.3	Very high	97.2	Very high	21 Å²	21	35.5 Å²	35.5	15%	0.147	19%	0.191	C	C	.	.			trans	-70.2	148.3	-174	62.3	0	0	0	0	112.6	R352 G368	R352-S378 PolarHBondContact NH1-O 3.22Å; R352-S378 PolarHBondContact NH2-OG 2.91Å; G368-S378 PolarHBondContact N-O 2.99Å
379	M	98.2	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.7	175.4	173.4	166.3	62.2	0	0	110.7	Y365 A366 V367 K392 Y429 W436	Y365-M379 HydrophobicContact CD1-CG 4.47Å; Y365-M379 HydrophobicContact CD1-SD 3.78Å; A366-M379 WeakPolarHBondContact O-CA 3.39Å; V367-M379 HydrophobicContact CG2-CB 4.43Å; V367-M379 HydrophobicContact CG2-CG 3.9Å; V367-M379 HydrophobicContact CG2-SD 3.65Å; M379-K392 HydrophobicContact CE-CB 3.71Å; M379-K392 HydrophobicContact CG-CB 4.29Å; M379-K392 PolarHBondContact O-N 3.19Å; M379-Y429 HydrophobicContact CE-CD1 3.78Å; M379-Y429 HydrophobicContact CE-CD2 3.61Å; M379-Y429 HydrophobicContact CE-CE1 3.54Å; M379-Y429 HydrophobicContact CE-CE2 3.37Å; M379-Y429 HydrophobicContact CE-CG 3.82Å; M379-Y429 HydrophobicContact SD-CD1 4.49Å; M379-Y429 HydrophobicContact SD-CE1 4.49Å; M379-W436 HydrophobicContact CE-CZ2 3.78Å; M379-W436 HydrophobicContact SD-CZ2 3.79Å
380	E	98.1	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.6	173.9	-40.1	-171.5	-146	0	0	108.9	N349 S350 R352 Y365 A366 W389 M390 M391	N349-E380 WeakPolarHBondContact CB-OE2 3.3Å; N349-E380 PolarHBondContact N-OE2 3.47Å; N349-E380 PolarHBondContact ND2-OE2 3.03Å; S350-E380 WeakPolarHBondContact CB-OE1 3.5Å; S350-E380 PolarHBondContact N-OE1 3.01Å; S350-E380 PolarHBondContact OG-OE1 2.97Å; R352-E380 IonicContact CZ-OE1 2.99Å; R352-E380 IonicContact NE-OE1 3.82Å; R352-E380 PolarHBondContact NE-OE1 2.85Å; R352-E380 VanDerWaalsContact NE-OE1 3.12Å; R352-E380 VanDerWaalsContact NH2-CG 3.32Å; R352-E380 IonicContact NH2-OE1 2.99Å; R352-E380 PolarHBondContact NH2-OE1 3.45Å; Y365-E380 WeakPolarHBondContact CA-O 3.25Å; A366-E380 PolarHBondContact N-O 3.02Å; A366-E380 PolarHBondContact O-N 2.8Å; E380-W389 HydrophobicContact CB-CE3 3.62Å; E380-W389 HydrophobicContact CB-CZ3 4.12Å; E380-M390 CarbonylContact C-O 3.5Å; E380-M390 WeakPolarHBondContact CA-O 3.42Å; E380-M391 HydrophobicContact CG-CE 3.96Å; E380-M391 HydrophobicContact CG-SD 3.65Å
381	V	98.4	Very high	97.2	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	173.2	66.5	0	0	0	0	110.3	K363 V364 Y365 W389 M390 K392	K363-V381 HydrophobicContact CB-CG2 3.7Å; K363-V381 HydrophobicContact CD-CG2 4.18Å; V364-V381 CarbonylContact O-C 3.53Å; V364-V381 WeakPolarHBondContact O-CA 3.42Å; Y365-V381 HydrophobicContact CD1-CB 3.82Å; Y365-V381 HydrophobicContact CD1-CG2 3.77Å; Y365-V381 HydrophobicContact CD2-CG2 4.21Å; Y365-V381 HydrophobicContact CE1-CB 3.79Å; Y365-V381 HydrophobicContact CE1-CG2 3.52Å; Y365-V381 HydrophobicContact CE2-CG2 3.97Å; Y365-V381 HydrophobicContact CG-CB 4.46Å; Y365-V381 HydrophobicContact CG-CG2 4.11Å; V381-W389 CarbonylContact O-C 3.49Å; V381-W389 WeakPolarHBondContact O-CA 3.13Å; V381-M390 HydrophobicContact CG1-CB 4.17Å; V381-M390 HydrophobicContact CG1-CE 4.33Å; V381-M390 PolarHBondContact N-O 2.88Å; V381-M390 PolarHBondContact O-N 3.47Å; V381-K392 HydrophobicContact CB-CG 4.14Å; V381-K392 HydrophobicContact CG1-CD 3.87Å; V381-K392 HydrophobicContact CG1-CG 3.6Å
382	F	98.6	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.1	169	-177.7	-112	0	0	0	110.1	F317 P346 K363 V364 P384 W389 I602	F317-F382 AromaticContact CE1-CD1 3.88Å; F317-F382 HydrophobicContact CE1-CD1 3.88Å; F317-F382 AromaticContact CE1-CE1 3.78Å; F317-F382 HydrophobicContact CE1-CE1 3.78Å; F317-F382 HydrophobicContact CZ-CD1 4.29Å; F317-F382 HydrophobicContact CZ-CE1 4.06Å; P346-F382 HydrophobicContact CB-CE2 3.96Å; P346-F382 HydrophobicContact CG-CE2 3.77Å; P346-F382 HydrophobicContact CG-CZ 4.05Å; K363-F382 WeakPolarHBondContact CA-O 3Å; K363-F382 WeakPolarHBondContact CB-O 3.22Å; V364-F382 HydrophobicContact CB-CB 4.29Å; V364-F382 PolarHBondContact N-O 3.49Å; V364-F382 VanDerWaalsContact N-O 3.1Å; V364-F382 PolarHBondContact O-N 3.25Å; F382-P384 HydrophobicContact CD1-CG 4.22Å; F382-P384 HydrophobicContact CE1-CB 4.46Å; F382-P384 HydrophobicContact CE1-CG 4.11Å; F382-P384 WeakPolarHBondContact O-CD 2.97Å; F382-W389 HydrophobicContact CB-CD2 3.7Å; F382-W389 HydrophobicContact CB-CE3 3.78Å; F382-W389 HydrophobicContact CB-CG 4.41Å; F382-W389 HydrophobicContact CB-CH2 3.74Å; F382-W389 HydrophobicContact CB-CZ2 3.63Å; F382-W389 HydrophobicContact CB-CZ3 3.81Å; F382-W389 AromaticContact CD2-CD1 3.75Å; F382-W389 HydrophobicContact CD2-CD2 4.17Å; F382-W389 AromaticContact CD2-CE2 3.84Å; F382-W389 HydrophobicContact CD2-CG 4.13Å; F382-W389 HydrophobicContact CD2-CZ2 4.43Å; F382-W389 AromaticContact CD2-NE1 3.55Å; F382-W389 HydrophobicContact CG-CD2 4.36Å; F382-W389 AromaticContact CG-CE2 3.98Å; F382-W389 HydrophobicContact CG-CZ2 4.14Å; F382-I602 HydrophobicContact CE1-CD1 3.95Å; F382-I602 HydrophobicContact CZ-CD1 4.43Å
383	D	97.6	Very high	97.4	Very high	14 Å²	14	45.5 Å²	45.5	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107	174.5	-174.5	-45.3	0	0	0	109.6	K363 L385 T386 N387 K388 M390	K363-D383 HydrophobicContact CD-CB 4.3Å; K363-D383 VanDerWaalsContact CE-OD2 3.23Å; K363-D383 WeakPolarHBondContact CE-OD2 3.5Å; K363-D383 IonicContact NZ-OD2 2.69Å; K363-D383 PolarHBondContact NZ-OD2 2.66Å; D383-L385 PolarHBondContact O-N 2.96Å; D383-L385 VanDerWaalsContact O-N 3.16Å; D383-L385 WeakPolarHBondContact OD1-CB 3.33Å; D383-L385 PolarHBondContact OD1-N 3.28Å; D383-T386 WeakPolarHBondContact CB-OG1 3.44Å; D383-T386 PolarHBondContact O-N 2.81Å; D383-T386 VanDerWaalsContact O-N 3.12Å; D383-T386 PolarHBondContact O-OG1 3.29Å; D383-T386 PolarHBondContact OD1-N 2.81Å; D383-N387 PolarHBondContact O-N 2.78Å; D383-K388 PolarHBondContact N-O 2.81Å; D383-K388 VanDerWaalsContact N-O 3.13Å; D383-M390 HydrophobicContact CB-CE 4.12Å
384	P	96.4	Very high	97.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.019	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.9	178.4	-33.6	39.6	0	0	0	115.3	G362 F382 N387 C597 Q601 I602	G362-P384 VanDerWaalsContact O-CD 3.27Å; G362-P384 WeakPolarHBondContact O-CD 3.4Å; G362-P384 WeakPolarHBondContact O-CG 3.24Å; F382-P384 HydrophobicContact CD1-CG 4.22Å; F382-P384 HydrophobicContact CE1-CB 4.46Å; F382-P384 HydrophobicContact CE1-CG 4.11Å; F382-P384 WeakPolarHBondContact O-CD 2.97Å; P384-N387 PolarHBondContact O-ND2 3.34Å; P384-N387 VanDerWaalsContact O-ND2 3.11Å; P384-C597 HydrophobicContact CB-CB 3.74Å; P384-C597 HydrophobicContact CG-CB 3.87Å; P384-Q601 VanDerWaalsContact O-O 3.12Å; P384-I602 HydrophobicContact CB-CD1 3.64Å; P384-I602 HydrophobicContact CG-CD1 4.17Å
385	L	95.3	Very high	97.7	Very high	131 Å²	131	38.9 Å²	38.9	69%	0.686	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.7	-177.6	-57.1	177	0	0	0	111.5	D383	D383-L385 PolarHBondContact O-N 2.96Å; D383-L385 VanDerWaalsContact O-N 3.16Å; D383-L385 WeakPolarHBondContact OD1-CB 3.33Å; D383-L385 PolarHBondContact OD1-N 3.28Å
386	T	96.7	Very high	97.6	Very high	71 Å²	71	43.8 Å²	43.8	44%	0.436	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-13	-179.7	72.6	0	0	0	0	114	D383 K388	D383-T386 WeakPolarHBondContact CB-OG1 3.44Å; D383-T386 PolarHBondContact O-N 2.81Å; D383-T386 VanDerWaalsContact O-N 3.12Å; D383-T386 PolarHBondContact O-OG1 3.29Å; D383-T386 PolarHBondContact OD1-N 2.81Å; T386-K388 PolarHBondContact O-N 3Å
387	N	96.8	Very high	97.5	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.16	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.7	-173.7	-79.3	-86.6	0	0	0	114.1	P346 D383 P384 Q601 R603	P346-N387 HydrophobicContact CG-CB 4.12Å; D383-N387 PolarHBondContact O-N 2.78Å; P384-N387 PolarHBondContact O-ND2 3.34Å; P384-N387 VanDerWaalsContact O-ND2 3.11Å; N387-Q601 PolarHBondContact ND2-O 3.25Å; N387-R603 HydrophobicContact CB-CB 4.35Å; N387-R603 WeakPolarHBondContact OD1-CB 3.45Å; N387-R603 PolarHBondContact OD1-N 2.82Å
388	K	96.7	Very high	97.5	Very high	138 Å²	138	49.8 Å²	49.8	60%	0.6	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.1	-178.9	-70.3	174.1	-176.2	179.4	0	111.8	D383 T386	D383-K388 PolarHBondContact N-O 2.81Å; D383-K388 VanDerWaalsContact N-O 3.13Å; T386-K388 PolarHBondContact O-N 3Å
389	W	98.3	Very high	97.4	Very high	20 Å²	20	48.8 Å²	48.8	8%	0.076	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.8	164	-72.7	92.5	0	0	0	109.7	V319 I332 P346 M348 N349 A366 E380 V381 F382	V319-W389 HydrophobicContact CG1-CH2 4.16Å; V319-W389 HydrophobicContact CG1-CZ2 4.48Å; I332-W389 HydrophobicContact CD1-CZ2 4.03Å; I332-W389 HydrophobicContact CG2-CZ2 3.93Å; P346-W389 PolarHBondContact O-NE1 3.21Å; M348-W389 HydrophobicContact CB-CD2 4.47Å; M348-W389 HydrophobicContact CG-CD2 3.94Å; M348-W389 HydrophobicContact CG-CE3 4.14Å; M348-W389 HydrophobicContact CG-CH2 3.87Å; M348-W389 HydrophobicContact CG-CZ2 3.65Å; M348-W389 HydrophobicContact CG-CZ3 4.11Å; M348-W389 HydrophobicContact SD-CH2 4.36Å; N349-W389 WeakPolarHBondContact ND2-CB 3.08Å; N349-W389 PolarHBondContact ND2-O 2.85Å; A366-W389 HydrophobicContact CB-CH2 4Å; A366-W389 HydrophobicContact CB-CZ3 3.71Å; E380-W389 HydrophobicContact CB-CE3 3.62Å; E380-W389 HydrophobicContact CB-CZ3 4.12Å; V381-W389 CarbonylContact O-C 3.49Å; V381-W389 WeakPolarHBondContact O-CA 3.13Å; F382-W389 HydrophobicContact CB-CD2 3.7Å; F382-W389 HydrophobicContact CB-CE3 3.78Å; F382-W389 HydrophobicContact CB-CG 4.41Å; F382-W389 HydrophobicContact CB-CH2 3.74Å; F382-W389 HydrophobicContact CB-CZ2 3.63Å; F382-W389 HydrophobicContact CB-CZ3 3.81Å; F382-W389 AromaticContact CD2-CD1 3.75Å; F382-W389 HydrophobicContact CD2-CD2 4.17Å; F382-W389 AromaticContact CD2-CE2 3.84Å; F382-W389 HydrophobicContact CD2-CG 4.13Å; F382-W389 HydrophobicContact CD2-CZ2 4.43Å; F382-W389 AromaticContact CD2-NE1 3.55Å; F382-W389 HydrophobicContact CG-CD2 4.36Å; F382-W389 AromaticContact CG-CE2 3.98Å; F382-W389 HydrophobicContact CG-CZ2 4.14Å
390	M	98.1	Very high	97.4	Very high	82 Å²	82	51.5 Å²	51.5	40%	0.404	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.4	178.5	-64.5	179.3	-72.8	0	0	109.9	E380 V381 D383	E380-M390 CarbonylContact C-O 3.5Å; E380-M390 WeakPolarHBondContact CA-O 3.42Å; V381-M390 HydrophobicContact CG1-CB 4.17Å; V381-M390 HydrophobicContact CG1-CE 4.33Å; V381-M390 PolarHBondContact N-O 2.88Å; V381-M390 PolarHBondContact O-N 3.47Å; D383-M390 HydrophobicContact CB-CE 4.12Å
391	M	98.1	Very high	97.3	Very high	97 Å²	97	52 Å²	52	48%	0.478	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	141	171.8	-59.7	-54.5	-55.7	0	0	110.3	N349 E380	N349-M391 HydrophobicContact CB-SD 4.49Å; E380-M391 HydrophobicContact CG-CE 3.96Å; E380-M391 HydrophobicContact CG-SD 3.65Å
392	K	97.9	Very high	97.2	Very high	57 Å²	57	52.2 Å²	52.2	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	178.6	173.8	-62.2	-65.7	-72.5	164.6	0	109.5	M379 V381 S394 Y429 D434	M379-K392 HydrophobicContact CE-CB 3.71Å; M379-K392 HydrophobicContact CG-CB 4.29Å; M379-K392 PolarHBondContact O-N 3.19Å; V381-K392 HydrophobicContact CB-CG 4.14Å; V381-K392 HydrophobicContact CG1-CD 3.87Å; V381-K392 HydrophobicContact CG1-CG 3.6Å; K392-S394 PolarHBondContact O-N 2.67Å; K392-Y429 WeakPolarHBondContact CE-OH 3.49Å; K392-D434 VanDerWaalsContact CE-CG 3.5Å; K392-D434 WeakPolarHBondContact CE-OD1 3.41Å; K392-D434 VanDerWaalsContact CE-OD2 3.26Å; K392-D434 WeakPolarHBondContact CE-OD2 3.43Å; K392-D434 IonicContact NZ-OD1 2.79Å; K392-D434 IonicContact NZ-OD2 2.84Å; K392-D434 PolarHBondContact NZ-OD2 2.92Å
393	A	98	Very high	97.1	Very high	28 Å²	28	52.6 Å²	52.6	23%	0.231	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-54.7	137.6	178.7	0	0	0	0	0	112	Y429 D434 W436	A393-Y429 HydrophobicContact CB-CE2 4.39Å; A393-D434 WeakPolarHBondContact CB-O 3.33Å; A393-D434 VanDerWaalsContact CB-OD1 3.29Å; A393-D434 WeakPolarHBondContact CB-OD1 3.36Å; A393-D434 PolarHBondContact N-OD1 2.9Å; A393-W436 PolarHBondContact O-NE1 2.88Å
394	S	98.2	Very high	97.2	Very high	69 Å²	69	52.7 Å²	52.7	48%	0.483	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-77.8	146.8	174.5	-60.7	0	0	0	0	111	G377 K392	G377-S394 CarbonylContact O-C 3.51Å; G377-S394 VanDerWaalsContact O-CA 3.31Å; G377-S394 WeakPolarHBondContact O-CA 3.43Å; G377-S394 WeakPolarHBondContact O-CB 3.34Å; K392-S394 PolarHBondContact O-N 2.67Å
395	M	97.8	Very high	97.2	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.044	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-58.7	153.2	164.2	-61	-179.4	-57.3	0	0	110.3	V367 G377 R399 I402 A413 W436	V367-M395 HydrophobicContact CG1-CE 3.82Å; V367-M395 HydrophobicContact CG1-CG 4.15Å; V367-M395 HydrophobicContact CG1-SD 3.45Å; V367-M395 WeakPolarHBondContact CG1-SD 3.3Å; G377-M395 PolarHBondContact O-N 2.73Å; M395-R399 HydrophobicContact CE-CG 4Å; M395-R399 PolarHBondContact SD-NH2 2.81Å; M395-I402 HydrophobicContact CE-CD1 4.23Å; M395-I402 HydrophobicContact SD-CD1 4.39Å; M395-A413 HydrophobicContact SD-CB 3.61Å; M395-W436 HydrophobicContact CB-CD2 4.43Å; M395-W436 HydrophobicContact CG-CD2 3.74Å; M395-W436 HydrophobicContact CG-CE3 3.97Å; M395-W436 HydrophobicContact CG-CG 4.41Å; M395-W436 HydrophobicContact CG-CH2 3.81Å; M395-W436 HydrophobicContact CG-CZ2 3.55Å; M395-W436 HydrophobicContact CG-CZ3 4.01Å; M395-W436 HydrophobicContact SD-CH2 4.08Å; M395-W436 HydrophobicContact SD-CZ2 4.3Å; M395-W436 HydrophobicContact SD-CZ3 4.35Å
396	N	95.9	Very high	97.3	Very high	125 Å²	125	48.1 Å²	48.1	67%	0.668	25%	0.253	S	S	*	.	S	Bend	trans	-69.8	-38.7	175.4	-60.5	-80.9	0	0	0	110.8	E427	N396-E427 WeakPolarHBondContact CB-OE2 3.2Å; N396-E427 PolarHBondContact N-OE2 3.01Å; N396-E427 PolarHBondContact ND2-OE2 3Å
397	T	95.9	Very high	97.2	Very high	34 Å²	34	46 Å²	46	21%	0.209	24%	0.239	C	C	.	.	S	Bend	trans	-95.6	129.9	176.4	-45.9	0	0	0	0	110.9	R399 F423 E427	T397-R399 HydrophobicContact CG2-CG 4.49Å; T397-F423 HydrophobicContact CG2-CD1 4.18Å; T397-F423 HydrophobicContact CG2-CD2 4.32Å; T397-F423 HydrophobicContact CG2-CE1 3.88Å; T397-F423 HydrophobicContact CG2-CE2 4.02Å; T397-F423 HydrophobicContact CG2-CG 4.41Å; T397-F423 HydrophobicContact CG2-CZ 3.8Å; T397-E427 PolarHBondContact N-OE1 2.84Å; T397-E427 PolarHBondContact OG1-OE1 2.81Å
398	K	97.5	Very high	96.7	Very high	110 Å²	110	48.6 Å²	48.6	48%	0.478	27%	0.272	S	S	.	.			trans	-80.8	124.3	169	-68.7	-179.7	164.5	-169.3	0	109.2	E374 H375	E374-K398 IonicContact OE1-NZ 2.73Å; E374-K398 IonicContact OE2-NZ 2.96Å; E374-K398 PolarHBondContact OE2-NZ 3.05Å; H375-K398 HydrophobicContact CB-CB 4.19Å; H375-K398 WeakPolarHBondContact O-CD 3.46Å
399	R	97.5	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.262	C	S	.	.			trans	-158.8	147.5	-172.6	40.9	169	-174.7	-103.7	-15.4	113.5	G369 L376 M395 T397 I402 G415 F423 E427	G369-R399 PolarHBondContact N-O 2.88Å; L376-R399 PolarHBondContact O-N 3.18Å; L376-R399 VanDerWaalsContact O-N 3.08Å; M395-R399 HydrophobicContact CE-CG 4Å; M395-R399 PolarHBondContact SD-NH2 2.81Å; T397-R399 HydrophobicContact CG2-CG 4.49Å; R399-I402 HydrophobicContact CB-CG2 3.92Å; R399-I402 HydrophobicContact CG-CG2 3.59Å; R399-G415 WeakPolarHBondContact CD-O 3.42Å; R399-F423 HydrophobicContact CB-CD2 3.95Å; R399-F423 HydrophobicContact CB-CE2 3.89Å; R399-E427 IonicContact CZ-OE1 3.38Å; R399-E427 VanDerWaalsContact CZ-OE1 3.22Å; R399-E427 IonicContact NH1-OE1 3.75Å; R399-E427 PolarHBondContact NH1-OE1 2.78Å; R399-E427 IonicContact NH2-OE1 2.78Å; R399-E427 PolarHBondContact NH2-OE1 3.38Å
400	R	97	Very high	96.1	Very high	57 Å²	57	44 Å²	44	22%	0.215	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-113.5	163.8	172.6	69.8	174.9	176.7	93.7	-0.1	111.2	H354 H370 I402 G416 L417	H354-R400 HydrophobicContact CB-CB 4.23Å; H370-R400 HydrophobicContact CB-CB 4.19Å; R400-I402 PolarHBondContact O-N 2.8Å; R400-G416 CarbonylContact O-C 3.45Å; R400-G416 WeakPolarHBondContact O-CA 3.39Å; R400-L417 HydrophobicContact CG-CD2 4.43Å; R400-L417 HydrophobicContact CG-CG 4.19Å; R400-L417 WeakPolarHBondContact CG-O 3.4Å; R400-L417 PolarHBondContact N-O 3.22Å; R400-L417 WeakPolarHBondContact O-CD2 3.31Å; R400-L417 PolarHBondContact O-N 3.01Å
401	G	96	Very high	96.1	Very high	10 Å²	10	40.1 Å²	40.1	10%	0.103	25%	0.247	C	C	.	.	S	Bend	trans	63.8	32.9	179.5	0	0	0	0	0	112.5	H354 G416 G448	H354-G401 PolarHBondContact O-N 2.83Å; G401-G416 WeakPolarHBondContact O-CA 3.47Å; G401-G448 VanDerWaalsContact O-CA 3.25Å; G401-G448 WeakPolarHBondContact O-CA 3.39Å; G401-G448 PolarHBondContact O-N 3.03Å
402	I	96.9	Very high	96.1	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.062	23%	0.226	C	C	.	.			trans	-79.3	152.8	178.6	72.9	178.5	0	0	0	109.8	V367 M395 R399 R400 L404	V367-I402 HydrophobicContact CB-CD1 3.93Å; V367-I402 HydrophobicContact CG1-CD1 3.82Å; V367-I402 VanDerWaalsContact O-CD1 3.23Å; V367-I402 WeakPolarHBondContact O-CD1 3.4Å; M395-I402 HydrophobicContact CE-CD1 4.23Å; M395-I402 HydrophobicContact SD-CD1 4.39Å; R399-I402 HydrophobicContact CB-CG2 3.92Å; R399-I402 HydrophobicContact CG-CG2 3.59Å; R400-I402 PolarHBondContact O-N 2.8Å; I402-L404 HydrophobicContact CD1-CD2 4.02Å; I402-L404 HydrophobicContact CG1-CD2 4.5Å
403	A	97.6	Very high	96.2	Very high	7 Å²	7	33.4 Å²	33.4	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.6	164.3	0	0	0	0	0	111.1	I414 V449 S451	A403-I414 PolarHBondContact N-O 2.95Å; A403-I414 VanDerWaalsContact N-O 3.14Å; A403-I414 PolarHBondContact O-N 3.23Å; A403-V449 HydrophobicContact CB-CG1 3.83Å; A403-V449 WeakPolarHBondContact CB-O 3.41Å; A403-S451 WeakPolarHBondContact CB-OG 3.33Å
404	L	98.3	Very high	96.2	Very high	17 Å²	17	32 Å²	32	9%	0.089	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.7	175.2	-60	-175.1	0	0	0	110.9	G356 I358 V367 I402 I411 Y412 A413 S451	G356-L404 WeakPolarHBondContact O-CD1 3.34Å; I358-L404 HydrophobicContact CB-CB 4.01Å; I358-L404 HydrophobicContact CB-CD1 3.95Å; I358-L404 HydrophobicContact CD1-CB 4.2Å; I358-L404 HydrophobicContact CG2-CB 4.19Å; I358-L404 HydrophobicContact CG2-CD1 3.59Å; V367-L404 HydrophobicContact CB-CD1 3.95Å; V367-L404 HydrophobicContact CB-CD2 4.16Å; V367-L404 HydrophobicContact CG1-CD2 4.37Å; V367-L404 HydrophobicContact CG2-CD1 3.58Å; V367-L404 HydrophobicContact CG2-CD2 4.26Å; I402-L404 HydrophobicContact CD1-CD2 4.02Å; I402-L404 HydrophobicContact CG1-CD2 4.5Å; L404-I411 HydrophobicContact CD2-CG2 4.23Å; L404-Y412 WeakPolarHBondContact CA-O 3.39Å; L404-A413 HydrophobicContact CD2-CB 3.8Å; L404-S451 PolarHBondContact N-OG 3Å; L404-S451 PolarHBondContact O-OG 2.81Å
405	A	97.8	Very high	96.2	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.4	166.7	0	0	0	0	0	109.8	I411 Y412 I414 A453 V458	A405-I411 WeakPolarHBondContact O-CA 3.43Å; A405-Y412 PolarHBondContact N-O 3.01Å; A405-Y412 VanDerWaalsContact N-O 3.13Å; A405-Y412 PolarHBondContact O-N 2.79Å; A405-I414 HydrophobicContact CB-CD1 4.12Å; A405-A453 HydrophobicContact CB-CB 4.46Å; A405-V458 HydrophobicContact CB-CB 4.39Å; A405-V458 HydrophobicContact CB-CG1 3.56Å; A405-V458 HydrophobicContact CB-CG2 4Å
406	S	96.4	Very high	96.2	Very high	34 Å²	34	28.3 Å²	28.3	24%	0.238	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.6	170.2	-176.1	0	0	0	0	109.5	P410 A453	S406-P410 VanDerWaalsContact CA-O 3.3Å; S406-P410 WeakPolarHBondContact CA-O 3.39Å; S406-P410 WeakPolarHBondContact CB-O 3.46Å; S406-P410 PolarHBondContact OG-O 2.83Å; S406-A453 WeakPolarHBondContact O-CB 3.14Å
407	L	94	Very high	96.3	Very high	28 Å²	28	23.9 Å²	23.9	15%	0.147	16%	0.155	C	C	.	.	S	Bend	trans	-140.7	117.2	-177.3	176.9	67.7	0	0	0	108.3	G409 P410 Y412 A453 V458 P478	L407-G409 VanDerWaalsContact C-N 3.3Å; L407-G409 PolarHBondContact O-N 2.94Å; L407-P410 PolarHBondContact N-O 2.85Å; L407-P410 WeakPolarHBondContact O-CD 3.35Å; L407-Y412 HydrophobicContact CB-CE2 3.98Å; L407-A453 HydrophobicContact CB-CB 4.13Å; L407-A453 HydrophobicContact CD1-CB 4.47Å; L407-V458 HydrophobicContact CB-CG2 3.86Å; L407-V458 HydrophobicContact CD2-CG2 3.97Å; L407-P478 HydrophobicContact CD2-CG 3.99Å
408	G	86.8	Confident	96.3	Very high	84 Å²	84	23.9 Å²	23.9	87%	0.866	15%	0.153	S	C	*	.	S	Bend	trans	72.2	14.1	178.7	0	0	0	0	0	115.7	P410	G408-P410 WeakPolarHBondContact O-CD 3.42Å
409	G	87.2	Confident	96.1	Very high	38 Å²	38	24 Å²	24	39%	0.392	16%	0.159	S	C	.	.	S	Bend	trans	119.4	-56	-178.5	0	0	0	0	0	115.2	L407 I431	L407-G409 VanDerWaalsContact C-N 3.3Å; L407-G409 PolarHBondContact O-N 2.94Å; G409-I431 WeakPolarHBondContact O-CD1 3.49Å
410	P	95.3	Very high	95.9	Very high	23 Å²	23	30.7 Å²	30.7	15%	0.149	20%	0.195	C	C	.	.			trans	-67.4	163.7	-179.8	25.6	-34.6	0	0	0	113.3	S406 L407 G408 Y412 R428 Y429	S406-P410 VanDerWaalsContact CA-O 3.3Å; S406-P410 WeakPolarHBondContact CA-O 3.39Å; S406-P410 WeakPolarHBondContact CB-O 3.46Å; S406-P410 PolarHBondContact OG-O 2.83Å; L407-P410 PolarHBondContact N-O 2.85Å; L407-P410 WeakPolarHBondContact O-CD 3.35Å; G408-P410 WeakPolarHBondContact O-CD 3.42Å; P410-Y412 HydrophobicContact CB-CE2 4.47Å; P410-Y412 HydrophobicContact CG-CE2 3.95Å; P410-R428 HydrophobicContact CB-CG 3.68Å; P410-R428 HydrophobicContact CG-CG 4.17Å; P410-Y429 VanDerWaalsContact CA-O 3.28Å; P410-Y429 WeakPolarHBondContact CA-O 3.47Å; P410-Y429 WeakPolarHBondContact CB-O 3.38Å
411	I	98.4	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.8	171.8	-62.2	168.1	0	0	0	108.6	I358 V360 Y365 L404 A405 R428 Y429 I431	I358-I411 HydrophobicContact CG2-CD1 3.91Å; I358-I411 HydrophobicContact CG2-CG1 4.22Å; I358-I411 HydrophobicContact CG2-CG2 4.05Å; V360-I411 HydrophobicContact CG2-CD1 3.96Å; V360-I411 HydrophobicContact CG2-CG1 3.75Å; Y365-I411 HydrophobicContact CD1-CD1 3.93Å; Y365-I411 HydrophobicContact CD2-CD1 3.74Å; Y365-I411 HydrophobicContact CE1-CD1 4.24Å; Y365-I411 HydrophobicContact CE2-CD1 4.09Å; Y365-I411 HydrophobicContact CG-CD1 3.67Å; L404-I411 HydrophobicContact CD2-CG2 4.23Å; A405-I411 WeakPolarHBondContact O-CA 3.43Å; I411-R428 CarbonylContact O-C 3.54Å; I411-R428 WeakPolarHBondContact O-CA 3.26Å; I411-Y429 HydrophobicContact CB-CD1 4.47Å; I411-Y429 HydrophobicContact CD1-CD1 4.25Å; I411-Y429 PolarHBondContact N-O 3.1Å; I411-Y429 VanDerWaalsContact N-O 3.07Å; I411-Y429 PolarHBondContact O-N 2.89Å; I411-I431 HydrophobicContact CD1-CD1 4.39Å; I411-I431 HydrophobicContact CG1-CD1 4.45Å
412	Y	98.6	Very high	95.9	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.3	176.4	-61.4	-96.4	0	0	0	108.4	L404 A405 L407 P410 R428 I439 V458 Y476	L404-Y412 WeakPolarHBondContact CA-O 3.39Å; A405-Y412 PolarHBondContact N-O 3.01Å; A405-Y412 VanDerWaalsContact N-O 3.13Å; A405-Y412 PolarHBondContact O-N 2.79Å; L407-Y412 HydrophobicContact CB-CE2 3.98Å; P410-Y412 HydrophobicContact CB-CE2 4.47Å; P410-Y412 HydrophobicContact CG-CE2 3.95Å; Y412-R428 HydrophobicContact CD1-CB 4.24Å; Y412-R428 HydrophobicContact CD1-CG 4.06Å; Y412-R428 HydrophobicContact CE1-CB 4.2Å; Y412-R428 HydrophobicContact CE1-CG 3.72Å; Y412-I439 HydrophobicContact CD1-CD1 3.63Å; Y412-I439 HydrophobicContact CE1-CD1 3.82Å; Y412-V458 HydrophobicContact CD2-CG2 4.03Å; Y412-V458 HydrophobicContact CE2-CG2 4.31Å; Y412-V458 HydrophobicContact CG-CG2 4.34Å; Y412-Y476 HydrophobicContact CE1-CD1 4.35Å; Y412-Y476 AromaticContact CE1-CE1 3.84Å; Y412-Y476 HydrophobicContact CE1-CE1 3.84Å
413	A	98.6	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.3	171.5	0	0	0	0	0	109.4	M395 L404 V426 E427 W436	M395-A413 HydrophobicContact SD-CB 3.61Å; L404-A413 HydrophobicContact CD2-CB 3.8Å; A413-V426 WeakPolarHBondContact O-CA 3.13Å; A413-V426 WeakPolarHBondContact O-CG1 3.41Å; A413-E427 PolarHBondContact N-O 2.77Å; A413-E427 PolarHBondContact O-N 2.88Å; A413-W436 HydrophobicContact CB-CH2 3.77Å; A413-W436 HydrophobicContact CB-CZ3 3.52Å
414	I	98.6	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.3	-160.7	-58.1	150.6	0	0	0	109.6	A403 A405 V426 M442 V449 V458 A460 W483	A403-I414 PolarHBondContact N-O 2.95Å; A403-I414 VanDerWaalsContact N-O 3.14Å; A403-I414 PolarHBondContact O-N 3.23Å; A405-I414 HydrophobicContact CB-CD1 4.12Å; I414-V426 HydrophobicContact CB-CG1 4.5Å; I414-V426 HydrophobicContact CG1-CG1 3.83Å; I414-V426 HydrophobicContact CG2-CG2 4.34Å; I414-M442 HydrophobicContact CG2-CE 4.1Å; I414-M442 HydrophobicContact CG2-SD 3.51Å; I414-M442 VanDerWaalsContact CG2-SD 3.51Å; I414-V449 WeakPolarHBondContact O-CG1 3.41Å; I414-V458 HydrophobicContact CD1-CG1 3.5Å; I414-V458 VanDerWaalsContact CD1-CG1 3.5Å; I414-A460 HydrophobicContact CG2-CB 4.03Å; I414-W483 HydrophobicContact CG1-CH2 4.46Å; I414-W483 HydrophobicContact CG2-CH2 4.07Å; I414-W483 HydrophobicContact CG2-CZ2 4.33Å
415	G	98.1	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.234	C	C	.	.			trans	59.5	-134.3	173.7	0	0	0	0	0	113	R399 F423 D425	R399-G415 WeakPolarHBondContact CD-O 3.42Å; G415-F423 WeakPolarHBondContact CA-O 3.39Å; G415-D425 PolarHBondContact N-O 2.77Å; G415-D425 VanDerWaalsContact N-O 3.16Å
416	G	97.9	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.233	C	C	.	.			trans	94.1	-174.7	-172.3	0	0	0	0	0	112.9	R400 G401 F423 R446	R400-G416 CarbonylContact O-C 3.45Å; R400-G416 WeakPolarHBondContact O-CA 3.39Å; G401-G416 WeakPolarHBondContact O-CA 3.47Å; G416-F423 PolarHBondContact O-N 2.85Å; G416-R446 PolarHBondContact N-O 3.42Å
417	L	97.6	Very high	96.1	Very high	32 Å²	32	35.3 Å²	35.3	17%	0.168	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-146.7	159.7	-180	65.4	154	0	0	0	112.2	R400 T421	R400-L417 HydrophobicContact CG-CD2 4.43Å; R400-L417 HydrophobicContact CG-CG 4.19Å; R400-L417 WeakPolarHBondContact CG-O 3.4Å; R400-L417 PolarHBondContact N-O 3.22Å; R400-L417 WeakPolarHBondContact O-CD2 3.31Å; R400-L417 PolarHBondContact O-N 3.01Å; L417-T421 VanDerWaalsContact CA-O 3.25Å; L417-T421 WeakPolarHBondContact CA-O 3.46Å; L417-T421 VanDerWaalsContact CB-O 3.3Å; L417-T421 WeakPolarHBondContact CB-O 3.39Å
418	D	95.9	Very high	96.3	Very high	33 Å²	33	38 Å²	38	18%	0.176	23%	0.231	C	C	.	.			trans	-105.9	-146.8	159.4	77	-22.5	0	0	0	109.6	N420 T421 F423	D418-N420 PolarHBondContact OD1-N 2.91Å; D418-N420 PolarHBondContact OD2-ND2 2.88Å; D418-T421 PolarHBondContact N-O 2.98Å; D418-T421 VanDerWaalsContact N-O 3.07Å; D418-T421 PolarHBondContact OD1-N 2.66Å; D418-T421 PolarHBondContact OD1-OG1 2.85Å; D418-F423 HydrophobicContact CB-CE2 4.06Å; D418-F423 HydrophobicContact CB-CZ 4.06Å
419	D	94.2	Very high	96.8	Very high	114 Å²	114	34 Å²	34	61%	0.61	19%	0.19	S	C	*	.	S	Bend	trans	-92.8	-6.1	175.2	-57.2	-46.4	0	0	0	113.6	H375	H375-D419 IonicContact CD2-OD2 2.68Å; H375-D419 IonicContact CE1-OD1 2.97Å; H375-D419 PolarHBondContact CE1-OD1 3.07Å; H375-D419 IonicContact CE1-OD2 3.75Å; H375-D419 IonicContact NE2-OD1 3.12Å; H375-D419 PolarHBondContact NE2-OD1 3.1Å; H375-D419 IonicContact NE2-OD2 3.25Å; H375-D419 PolarHBondContact NE2-OD2 2.9Å
420	N	92.6	Very high	97.3	Very high	140 Å²	140	34.8 Å²	34.8	75%	0.749	19%	0.185	S	C	*	.	S	Bend	trans	-117.1	-31.4	-173.8	-52.4	-72.5	0	0	0	112.8	D418	D418-N420 PolarHBondContact OD1-N 2.91Å; D418-N420 PolarHBondContact OD2-ND2 2.88Å
421	T	95.3	Very high	97.4	Very high	69 Å²	69	35.6 Å²	35.6	42%	0.423	19%	0.188	S	C	.	.			trans	-144.9	145	-163.5	57.5	0	0	0	0	112	L417 D418 F423	L417-T421 VanDerWaalsContact CA-O 3.25Å; L417-T421 WeakPolarHBondContact CA-O 3.46Å; L417-T421 VanDerWaalsContact CB-O 3.3Å; L417-T421 WeakPolarHBondContact CB-O 3.39Å; D418-T421 PolarHBondContact N-O 2.98Å; D418-T421 VanDerWaalsContact N-O 3.07Å; D418-T421 PolarHBondContact OD1-N 2.66Å; D418-T421 PolarHBondContact OD1-OG1 2.85Å; T421-F423 WeakPolarHBondContact OG1-CE1 3.4Å
422	C	97.8	Very high	97.2	Very high	23 Å²	23	44.2 Å²	44.2	16%	0.155	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-90.9	138.9	158.2	-67.3	0	0	0	0	108.3	P445 N464	C422-P445 HydrophobicContact CB-CB 4.1Å; C422-P445 WeakPolarHBondContact O-CB 3.29Å; C422-N464 PolarHBondContact SG-O 2.8Å
423	F	98	Very high	97.1	Very high	30 Å²	30	46.5 Å²	46.5	13%	0.132	25%	0.246	C	C	.	.			trans	-93.4	139.8	-177.1	-61.5	-69.5	0	0	0	111.2	T397 R399 G415 G416 D418 T421 D425 P445 R446	T397-F423 HydrophobicContact CG2-CD1 4.18Å; T397-F423 HydrophobicContact CG2-CD2 4.32Å; T397-F423 HydrophobicContact CG2-CE1 3.88Å; T397-F423 HydrophobicContact CG2-CE2 4.02Å; T397-F423 HydrophobicContact CG2-CG 4.41Å; T397-F423 HydrophobicContact CG2-CZ 3.8Å; R399-F423 HydrophobicContact CB-CD2 3.95Å; R399-F423 HydrophobicContact CB-CE2 3.89Å; G415-F423 WeakPolarHBondContact CA-O 3.39Å; G416-F423 PolarHBondContact O-N 2.85Å; D418-F423 HydrophobicContact CB-CE2 4.06Å; D418-F423 HydrophobicContact CB-CZ 4.06Å; T421-F423 WeakPolarHBondContact OG1-CE1 3.4Å; F423-D425 HydrophobicContact CB-CB 4.45Å; F423-P445 WeakPolarHBondContact O-CA 3.5Å; F423-R446 PolarHBondContact O-N 3.16Å
424	S	98	Very high	97.1	Very high	35 Å²	35	49 Å²	49	25%	0.245	26%	0.26	C	S	.	.			trans	-93.4	-9.7	160.4	54.2	0	0	0	0	112.3	P441 M442	S424-P441 WeakPolarHBondContact O-CA 3.32Å; S424-P441 WeakPolarHBondContact O-CB 3.5Å; S424-M442 WeakPolarHBondContact CB-O 3.47Å; S424-M442 PolarHBondContact O-N 2.8Å
425	D	97.8	Very high	97	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	29%	0.292	S	S	.	.			trans	-59	143.4	-179.6	-60.7	-64.6	0	0	0	112.5	G415 F423	G415-D425 PolarHBondContact N-O 2.77Å; G415-D425 VanDerWaalsContact N-O 3.16Å; F423-D425 HydrophobicContact CB-CB 4.45Å
426	V	98.4	Very high	97.1	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.3	175	-170.5	0	0	0	0	108.5	A413 I414 I439 M442 W483	A413-V426 WeakPolarHBondContact O-CA 3.13Å; A413-V426 WeakPolarHBondContact O-CG1 3.41Å; I414-V426 HydrophobicContact CB-CG1 4.5Å; I414-V426 HydrophobicContact CG1-CG1 3.83Å; I414-V426 HydrophobicContact CG2-CG2 4.34Å; V426-I439 HydrophobicContact CB-CD1 4.17Å; V426-I439 HydrophobicContact CB-CG1 3.84Å; V426-I439 HydrophobicContact CG1-CD1 3.68Å; V426-I439 HydrophobicContact CG1-CG1 3.87Å; V426-I439 WeakPolarHBondContact O-CG1 3.46Å; V426-I439 PolarHBondContact O-N 2.77Å; V426-I439 VanDerWaalsContact O-N 3.1Å; V426-M442 HydrophobicContact CG2-CG 3.94Å; V426-W483 HydrophobicContact CB-CZ2 4.47Å; V426-W483 HydrophobicContact CG1-CZ2 4.19Å; V426-W483 HydrophobicContact CG2-CZ2 3.72Å
427	E	98.6	Very high	97.1	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.028	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.2	178.1	-63.6	178.8	-107.8	0	0	110.1	N396 T397 R399 A413 W436 S437	N396-E427 WeakPolarHBondContact CB-OE2 3.2Å; N396-E427 PolarHBondContact N-OE2 3.01Å; N396-E427 PolarHBondContact ND2-OE2 3Å; T397-E427 PolarHBondContact N-OE1 2.84Å; T397-E427 PolarHBondContact OG1-OE1 2.81Å; R399-E427 IonicContact CZ-OE1 3.38Å; R399-E427 VanDerWaalsContact CZ-OE1 3.22Å; R399-E427 IonicContact NH1-OE1 3.75Å; R399-E427 PolarHBondContact NH1-OE1 2.78Å; R399-E427 IonicContact NH2-OE1 2.78Å; R399-E427 PolarHBondContact NH2-OE1 3.38Å; A413-E427 PolarHBondContact N-O 2.77Å; A413-E427 PolarHBondContact O-N 2.88Å; E427-W436 HydrophobicContact CB-CE3 3.65Å; E427-W436 HydrophobicContact CB-CZ3 4.2Å; E427-W436 WeakPolarHBondContact O-CZ3 3.42Å; E427-S437 CarbonylContact C-O 3.58Å; E427-S437 WeakPolarHBondContact CA-O 3.31Å
428	R	98.1	Very high	97.1	Very high	84 Å²	84	62.1 Å²	62.1	32%	0.317	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.8	174.6	-168.1	-172.7	84.7	-135.6	4.4	109.7	P410 I411 Y412 W436 S437 I439	P410-R428 HydrophobicContact CB-CG 3.68Å; P410-R428 HydrophobicContact CG-CG 4.17Å; I411-R428 CarbonylContact O-C 3.54Å; I411-R428 WeakPolarHBondContact O-CA 3.26Å; Y412-R428 HydrophobicContact CD1-CB 4.24Å; Y412-R428 HydrophobicContact CD1-CG 4.06Å; Y412-R428 HydrophobicContact CE1-CB 4.2Å; Y412-R428 HydrophobicContact CE1-CG 3.72Å; R428-W436 WeakPolarHBondContact O-CA 3.14Å; R428-S437 PolarHBondContact N-O 3.11Å; R428-S437 PolarHBondContact O-N 2.93Å; R428-S437 PolarHBondContact O-OG 3.18Å; R428-I439 HydrophobicContact CB-CG2 3.82Å
429	Y	98.6	Very high	97.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.3	170.5	178.9	-112.3	0	0	0	111	Y365 M379 K392 A393 P410 I411 I431 D434 R435 W436	Y365-Y429 HydrophobicContact CE1-CE1 4.27Å; M379-Y429 HydrophobicContact CE-CD1 3.78Å; M379-Y429 HydrophobicContact CE-CD2 3.61Å; M379-Y429 HydrophobicContact CE-CE1 3.54Å; M379-Y429 HydrophobicContact CE-CE2 3.37Å; M379-Y429 HydrophobicContact CE-CG 3.82Å; M379-Y429 HydrophobicContact SD-CD1 4.49Å; M379-Y429 HydrophobicContact SD-CE1 4.49Å; K392-Y429 WeakPolarHBondContact CE-OH 3.49Å; A393-Y429 HydrophobicContact CB-CE2 4.39Å; P410-Y429 VanDerWaalsContact CA-O 3.28Å; P410-Y429 WeakPolarHBondContact CA-O 3.47Å; P410-Y429 WeakPolarHBondContact CB-O 3.38Å; I411-Y429 HydrophobicContact CB-CD1 4.47Å; I411-Y429 HydrophobicContact CD1-CD1 4.25Å; I411-Y429 PolarHBondContact N-O 3.1Å; I411-Y429 VanDerWaalsContact N-O 3.07Å; I411-Y429 PolarHBondContact O-N 2.89Å; Y429-I431 HydrophobicContact CD1-CG1 3.9Å; Y429-I431 HydrophobicContact CE1-CB 4.2Å; Y429-I431 HydrophobicContact CE1-CG1 3.75Å; Y429-D434 WeakPolarHBondContact CE2-OD1 3.39Å; Y429-D434 PolarHBondContact OH-OD1 2.89Å; Y429-R435 WeakPolarHBondContact CA-O 3.44Å; Y429-R435 WeakPolarHBondContact CD2-O 3.45Å; Y429-W436 AromaticContact CD2-CD1 3.85Å; Y429-W436 HydrophobicContact CD2-CD2 4.03Å; Y429-W436 AromaticContact CD2-CE2 3.73Å; Y429-W436 HydrophobicContact CD2-CG 4.12Å; Y429-W436 HydrophobicContact CD2-CZ2 4.27Å; Y429-W436 AromaticContact CD2-NE1 3.6Å; Y429-W436 HydrophobicContact CG-CD2 4.27Å; Y429-W436 AromaticContact CG-CE2 3.98Å; Y429-W436 HydrophobicContact CG-CH2 4.46Å; Y429-W436 HydrophobicContact CG-CZ2 4.1Å
430	D	97.2	Very high	97.4	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.1	170.6	-176.4	-83.5	0	0	0	109.4	E432 S433 D434 R435	D430-E432 PolarHBondContact OD1-N 3.13Å; D430-S433 WeakPolarHBondContact CB-OG 3.03Å; D430-S433 VanDerWaalsContact CG-OG 3.26Å; D430-S433 VanDerWaalsContact OD1-CB 3.31Å; D430-S433 WeakPolarHBondContact OD1-CB 3.29Å; D430-S433 PolarHBondContact OD1-N 3.11Å; D430-S433 PolarHBondContact OD1-OG 2.77Å; D430-D434 WeakPolarHBondContact O-CA 3.45Å; D430-D434 PolarHBondContact O-N 2.78Å; D430-D434 VanDerWaalsContact O-N 3.08Å; D430-R435 PolarHBondContact N-O 3.25Å; D430-R435 PolarHBondContact O-N 2.84Å
431	I	96.2	Very high	97.6	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.205	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-39.5	-170.6	-61.1	179.4	0	0	0	111.7	V360 G409 I411 Y429	V360-I431 HydrophobicContact CB-CD1 4.1Å; V360-I431 HydrophobicContact CG1-CD1 3.6Å; G409-I431 WeakPolarHBondContact O-CD1 3.49Å; I411-I431 HydrophobicContact CD1-CD1 4.39Å; I411-I431 HydrophobicContact CG1-CD1 4.45Å; Y429-I431 HydrophobicContact CD1-CG1 3.9Å; Y429-I431 HydrophobicContact CE1-CB 4.2Å; Y429-I431 HydrophobicContact CE1-CG1 3.75Å
432	E	95.1	Very high	97.8	Very high	182 Å²	182	50.9 Å²	50.9	85%	0.85	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-41	-175.7	-63.1	-59.2	136.6	0	0	111.9	D430	D430-E432 PolarHBondContact OD1-N 3.13Å
433	S	96.8	Very high	97.8	Very high	60 Å²	60	54.3 Å²	54.3	42%	0.42	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7	179.1	64.8	0	0	0	0	114.8	D430 R435	D430-S433 WeakPolarHBondContact CB-OG 3.03Å; D430-S433 VanDerWaalsContact CG-OG 3.26Å; D430-S433 VanDerWaalsContact OD1-CB 3.31Å; D430-S433 WeakPolarHBondContact OD1-CB 3.29Å; D430-S433 PolarHBondContact OD1-N 3.11Å; D430-S433 PolarHBondContact OD1-OG 2.77Å; S433-R435 WeakPolarHBondContact O-CG 3.47Å
434	D	97.7	Very high	97.8	Very high	54 Å²	54	54.6 Å²	54.6	29%	0.289	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	53	-176.2	-163.1	0.1	0	0	0	112.2	K392 A393 Y429 D430	K392-D434 VanDerWaalsContact CE-CG 3.5Å; K392-D434 WeakPolarHBondContact CE-OD1 3.41Å; K392-D434 VanDerWaalsContact CE-OD2 3.26Å; K392-D434 WeakPolarHBondContact CE-OD2 3.43Å; K392-D434 IonicContact NZ-OD1 2.79Å; K392-D434 IonicContact NZ-OD2 2.84Å; K392-D434 PolarHBondContact NZ-OD2 2.92Å; A393-D434 WeakPolarHBondContact CB-O 3.33Å; A393-D434 VanDerWaalsContact CB-OD1 3.29Å; A393-D434 WeakPolarHBondContact CB-OD1 3.36Å; A393-D434 PolarHBondContact N-OD1 2.9Å; Y429-D434 WeakPolarHBondContact CE2-OD1 3.39Å; Y429-D434 PolarHBondContact OH-OD1 2.89Å; D430-D434 WeakPolarHBondContact O-CA 3.45Å; D430-D434 PolarHBondContact O-N 2.78Å; D430-D434 VanDerWaalsContact O-N 3.08Å
435	R	98.1	Very high	97.8	Very high	178 Å²	178	54.9 Å²	54.9	67%	0.672	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.5	-174	-74.7	174.3	-173.4	-134.8	-2.1	113.1	Y429 D430 S433	Y429-R435 WeakPolarHBondContact CA-O 3.44Å; Y429-R435 WeakPolarHBondContact CD2-O 3.45Å; D430-R435 PolarHBondContact N-O 3.25Å; D430-R435 PolarHBondContact O-N 2.84Å; S433-R435 WeakPolarHBondContact O-CG 3.47Å
436	W	98.5	Very high	97.8	Very high	25 Å²	25	51.6 Å²	51.6	10%	0.095	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142.1	166.7	-66.6	90.7	0	0	0	110.8	V367 M379 A393 M395 A413 E427 R428 Y429	V367-W436 HydrophobicContact CG1-CH2 3.95Å; V367-W436 HydrophobicContact CG1-CZ2 3.92Å; M379-W436 HydrophobicContact CE-CZ2 3.78Å; M379-W436 HydrophobicContact SD-CZ2 3.79Å; A393-W436 PolarHBondContact O-NE1 2.88Å; M395-W436 HydrophobicContact CB-CD2 4.43Å; M395-W436 HydrophobicContact CG-CD2 3.74Å; M395-W436 HydrophobicContact CG-CE3 3.97Å; M395-W436 HydrophobicContact CG-CG 4.41Å; M395-W436 HydrophobicContact CG-CH2 3.81Å; M395-W436 HydrophobicContact CG-CZ2 3.55Å; M395-W436 HydrophobicContact CG-CZ3 4.01Å; M395-W436 HydrophobicContact SD-CH2 4.08Å; M395-W436 HydrophobicContact SD-CZ2 4.3Å; M395-W436 HydrophobicContact SD-CZ3 4.35Å; A413-W436 HydrophobicContact CB-CH2 3.77Å; A413-W436 HydrophobicContact CB-CZ3 3.52Å; E427-W436 HydrophobicContact CB-CE3 3.65Å; E427-W436 HydrophobicContact CB-CZ3 4.2Å; E427-W436 WeakPolarHBondContact O-CZ3 3.42Å; R428-W436 WeakPolarHBondContact O-CA 3.14Å; Y429-W436 AromaticContact CD2-CD1 3.85Å; Y429-W436 HydrophobicContact CD2-CD2 4.03Å; Y429-W436 AromaticContact CD2-CE2 3.73Å; Y429-W436 HydrophobicContact CD2-CG 4.12Å; Y429-W436 HydrophobicContact CD2-CZ2 4.27Å; Y429-W436 AromaticContact CD2-NE1 3.6Å; Y429-W436 HydrophobicContact CG-CD2 4.27Å; Y429-W436 AromaticContact CG-CE2 3.98Å; Y429-W436 HydrophobicContact CG-CH2 4.46Å; Y429-W436 HydrophobicContact CG-CZ2 4.1Å
437	S	97.8	Very high	97.8	Very high	42 Å²	42	51.6 Å²	51.6	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.2	173.9	52.6	0	0	0	0	109.4	E427 R428	E427-S437 CarbonylContact C-O 3.58Å; E427-S437 WeakPolarHBondContact CA-O 3.31Å; R428-S437 PolarHBondContact N-O 3.11Å; R428-S437 PolarHBondContact O-N 2.93Å; R428-S437 PolarHBondContact O-OG 3.18Å
438	G	97.8	Very high	97.7	Very high	62 Å²	62	52 Å²	52	64%	0.639	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	145.2	169.4	0	0	0	0	0	110.9
439	I	98	Very high	97.7	Very high	24 Å²	24	48.4 Å²	48.4	12%	0.123	27%	0.274	C	S	.	.			trans	-124.6	-174.9	170.1	61.7	170.4	0	0	0	108.9	Y412 V426 R428 Y476	Y412-I439 HydrophobicContact CD1-CD1 3.63Å; Y412-I439 HydrophobicContact CE1-CD1 3.82Å; V426-I439 HydrophobicContact CB-CD1 4.17Å; V426-I439 HydrophobicContact CB-CG1 3.84Å; V426-I439 HydrophobicContact CG1-CD1 3.68Å; V426-I439 HydrophobicContact CG1-CG1 3.87Å; V426-I439 WeakPolarHBondContact O-CG1 3.46Å; V426-I439 PolarHBondContact O-N 2.77Å; V426-I439 VanDerWaalsContact O-N 3.1Å; R428-I439 HydrophobicContact CB-CG2 3.82Å; I439-Y476 HydrophobicContact CD1-CD1 4.5Å; I439-Y476 HydrophobicContact CD1-CD2 4.48Å; I439-Y476 HydrophobicContact CD1-CE1 3.93Å; I439-Y476 HydrophobicContact CD1-CE2 3.92Å
440	A	98.4	Very high	97.6	Very high	19 Å²	19	48.7 Å²	48.7	16%	0.157	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-55.5	131.6	177.2	0	0	0	0	0	112.2	D481 W483	A440-D481 WeakPolarHBondContact CB-O 3.49Å; A440-D481 VanDerWaalsContact CB-OD1 3.25Å; A440-D481 WeakPolarHBondContact CB-OD1 3.39Å; A440-D481 PolarHBondContact N-OD1 3.14Å; A440-W483 PolarHBondContact O-NE1 2.91Å
441	P	98.5	Very high	97.7	Very high	69 Å²	69	46.7 Å²	46.7	45%	0.448	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-73.2	157.8	176.9	31.7	-35.7	0	0	0	111.2	S424	S424-P441 WeakPolarHBondContact O-CA 3.32Å; S424-P441 WeakPolarHBondContact O-CB 3.5Å
442	M	98.5	Very high	97.7	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.034	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.6	155.5	170.3	-62.5	-179.3	-61.4	0	0	111	I414 S424 V426 T444 R446 A460 W483	I414-M442 HydrophobicContact CG2-CE 4.1Å; I414-M442 HydrophobicContact CG2-SD 3.51Å; I414-M442 VanDerWaalsContact CG2-SD 3.51Å; S424-M442 WeakPolarHBondContact CB-O 3.47Å; S424-M442 PolarHBondContact O-N 2.8Å; V426-M442 HydrophobicContact CG2-CG 3.94Å; M442-T444 VanDerWaalsContact C-N 3.34Å; M442-T444 WeakPolarHBondContact CB-O 3.27Å; M442-R446 HydrophobicContact CE-CB 3.96Å; M442-R446 HydrophobicContact CE-CG 3.93Å; M442-R446 HydrophobicContact SD-CG 4.29Å; M442-A460 HydrophobicContact SD-CB 3.67Å; M442-W483 HydrophobicContact CB-CD2 4.49Å; M442-W483 HydrophobicContact CB-CG 4.49Å; M442-W483 HydrophobicContact CG-CD2 3.74Å; M442-W483 HydrophobicContact CG-CE3 4.12Å; M442-W483 HydrophobicContact CG-CG 4.2Å; M442-W483 HydrophobicContact CG-CH2 4.29Å; M442-W483 HydrophobicContact CG-CZ2 3.94Å; M442-W483 HydrophobicContact CG-CZ3 4.38Å; M442-W483 HydrophobicContact SD-CH2 4.46Å
443	N	98.1	Very high	97.7	Very high	95 Å²	95	38.3 Å²	38.3	51%	0.508	23%	0.233	S	C	.	.	S	Bend	trans	-71.5	-32.2	176.5	-58.2	-81.2	0	0	0	111.2	E474 W483	N443-E474 WeakPolarHBondContact CB-OE2 3.35Å; N443-E474 PolarHBondContact N-OE2 2.81Å; N443-E474 PolarHBondContact ND2-OE2 2.94Å; N443-W483 PolarHBondContact ND2-O 2.78Å
444	T	97.9	Very high	97.5	Very high	36 Å²	36	35.7 Å²	35.7	22%	0.221	21%	0.214	C	C	.	.	S	Bend	trans	-115.6	138	174.1	-51.2	0	0	0	0	110.4	M442 R446 D465 L470 E474	M442-T444 VanDerWaalsContact C-N 3.34Å; M442-T444 WeakPolarHBondContact CB-O 3.27Å; T444-R446 WeakPolarHBondContact O-CG 3.41Å; T444-D465 HydrophobicContact CG2-CB 4.14Å; T444-L470 HydrophobicContact CG2-CD1 3.87Å; T444-E474 PolarHBondContact N-OE1 2.81Å
445	P	98.1	Very high	96.9	Very high	42 Å²	42	36.3 Å²	36.3	27%	0.273	22%	0.22	S	C	.	.			trans	-68.2	143.8	169.7	28.4	-34.1	0	0	0	111.3	C422 F423 D465	C422-P445 HydrophobicContact CB-CB 4.1Å; C422-P445 WeakPolarHBondContact O-CB 3.29Å; F423-P445 WeakPolarHBondContact O-CA 3.5Å; P445-D465 HydrophobicContact CG-CB 4.4Å; P445-D465 WeakPolarHBondContact O-CA 3.31Å
446	R	98.3	Very high	96.5	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	21%	0.208	C	C	.	.			trans	-143.7	99.3	-173.2	-50.6	176.8	176.9	-92.1	-6.3	113.2	G416 F423 M442 T444 V449 G462 N464 L470 S472 E474	G416-R446 PolarHBondContact N-O 3.42Å; F423-R446 PolarHBondContact O-N 3.16Å; M442-R446 HydrophobicContact CE-CB 3.96Å; M442-R446 HydrophobicContact CE-CG 3.93Å; M442-R446 HydrophobicContact SD-CG 4.29Å; T444-R446 WeakPolarHBondContact O-CG 3.41Å; R446-V449 HydrophobicContact CB-CB 3.7Å; R446-V449 HydrophobicContact CB-CG1 4.28Å; R446-V449 HydrophobicContact CB-CG2 4.02Å; R446-V449 WeakPolarHBondContact O-CG1 3.29Å; R446-G462 WeakPolarHBondContact CD-O 3.45Å; R446-G462 PolarHBondContact NH1-O 2.83Å; R446-N464 CarbonylContact C-O 3.55Å; R446-N464 WeakPolarHBondContact CA-O 3.49Å; R446-L470 HydrophobicContact CG-CD1 3.97Å; R446-S472 PolarHBondContact NH1-O 2.75Å; R446-S472 PolarHBondContact NH1-OG 3.19Å; R446-S472 PolarHBondContact NH2-OG 3.5Å; R446-E474 IonicContact CZ-OE1 3.94Å; R446-E474 IonicContact NE-OE1 3.22Å; R446-E474 PolarHBondContact NE-OE1 2.82Å; R446-E474 IonicContact NH2-OE1 3.54Å; R446-E474 PolarHBondContact NH2-OE1 3.07Å
447	G	97.3	Very high	96.3	Very high	3 Å²	3	32 Å²	32	3%	0.031	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-82.3	135.7	168.3	0	0	0	0	0	112.1	V449 G463 N464	G447-V449 PolarHBondContact O-N 2.95Å; G447-G463 CarbonylContact O-C 3.58Å; G447-G463 WeakPolarHBondContact O-CA 3.08Å; G447-N464 PolarHBondContact N-O 2.75Å; G447-N464 PolarHBondContact O-N 2.85Å
448	G	96.3	Very high	96.3	Very high	15 Å²	15	30 Å²	30	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	29.9	-177.2	0	0	0	0	0	113	G401 G495	G401-G448 VanDerWaalsContact O-CA 3.25Å; G401-G448 WeakPolarHBondContact O-CA 3.39Å; G401-G448 PolarHBondContact O-N 3.03Å; G448-G495 WeakPolarHBondContact O-CA 3.23Å; G448-G495 PolarHBondContact O-N 2.83Å
449	V	98	Very high	96.4	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.055	17%	0.169	C	C	.	.			trans	-64.8	152.9	176.4	56.8	0	0	0	0	111	A403 I414 R446 G447 A460	A403-V449 HydrophobicContact CB-CG1 3.83Å; A403-V449 WeakPolarHBondContact CB-O 3.41Å; I414-V449 WeakPolarHBondContact O-CG1 3.41Å; R446-V449 HydrophobicContact CB-CB 3.7Å; R446-V449 HydrophobicContact CB-CG1 4.28Å; R446-V449 HydrophobicContact CB-CG2 4.02Å; R446-V449 WeakPolarHBondContact O-CG1 3.29Å; G447-V449 PolarHBondContact O-N 2.95Å; V449-A460 HydrophobicContact CG2-CB 4.1Å
450	G	98	Very high	96.4	Very high	5 Å²	5	26.4 Å²	26.4	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.7	164.8	0	0	0	0	0	110.7	V461	G450-V461 PolarHBondContact N-O 2.91Å; G450-V461 VanDerWaalsContact N-O 3.14Å; G450-V461 PolarHBondContact O-N 2.77Å
451	S	97.9	Very high	96.4	Very high	12 Å²	12	25.5 Å²	25.5	8%	0.084	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.6	179	68.6	0	0	0	0	113.5	A403 L404 Y459	A403-S451 WeakPolarHBondContact CB-OG 3.33Å; L404-S451 PolarHBondContact N-OG 3Å; L404-S451 PolarHBondContact O-OG 2.81Å; S451-Y459 WeakPolarHBondContact CA-O 3.22Å; S451-Y459 WeakPolarHBondContact CB-O 3.33Å
452	V	97.2	Very high	96.4	Very high	20 Å²	20	22.2 Å²	22.2	12%	0.121	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	150.5	169.8	72.8	0	0	0	0	111	L454 Y459 V498 E500 L505	V452-L454 HydrophobicContact CG1-CB 4.41Å; V452-Y459 PolarHBondContact N-O 2.93Å; V452-Y459 PolarHBondContact O-N 2.83Å; V452-V498 HydrophobicContact CB-CG1 3.93Å; V452-V498 HydrophobicContact CG1-CG1 3.74Å; V452-E500 HydrophobicContact CG2-CB 3.75Å; V452-L505 HydrophobicContact CG1-CD1 3.67Å; V452-L505 HydrophobicContact CG1-CG 3.82Å
453	A	95.6	Very high	96.4	Very high	27 Å²	27	21.9 Å²	21.9	22%	0.223	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.6	164.4	0	0	0	0	0	108.8	A405 S406 L407 H457	A405-A453 HydrophobicContact CB-CB 4.46Å; S406-A453 WeakPolarHBondContact O-CB 3.14Å; L407-A453 HydrophobicContact CB-CB 4.13Å; L407-A453 HydrophobicContact CD1-CB 4.47Å; A453-H457 WeakPolarHBondContact CA-O 3.41Å
454	L	92.6	Very high	96.3	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126.8	179.2	170.1	58.5	0	0	0	109.4	V452 N456 H457 Y459 E500 L505 P525	V452-L454 HydrophobicContact CG1-CB 4.41Å; L454-N456 PolarHBondContact O-N 3.3Å; L454-H457 PolarHBondContact N-O 3.24Å; L454-H457 PolarHBondContact O-N 3.03Å; L454-Y459 HydrophobicContact CB-CD2 3.91Å; L454-Y459 HydrophobicContact CB-CE2 3.83Å; L454-Y459 HydrophobicContact CD2-CE2 4.33Å; L454-Y459 HydrophobicContact CG-CE2 4.2Å; L454-E500 HydrophobicContact CD1-CG 3.81Å; L454-L505 HydrophobicContact CD2-CB 3.72Å; L454-P525 HydrophobicContact CD2-CG 4Å; L454-P525 HydrophobicContact CG-CG 4.42Å
455	V	84.9	Confident	96.3	Very high	68 Å²	68	20 Å²	20	41%	0.412	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-120.6	-171.2	-170.1	0	0	0	0	108.3	S294	S294-V455 VanDerWaalsContact CB-CG1 3.43Å; S294-V455 WeakPolarHBondContact OG-CA 3.1Å; S294-V455 WeakPolarHBondContact OG-CG1 3.33Å; S294-V455 PolarHBondContact OG-O 3.26Å
456	N	89.1	Confident	96.1	Very high	78 Å²	78	20.7 Å²	20.7	42%	0.417	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	23.7	-179.8	-67.8	-21	0	0	0	113	S294 L454	S294-N456 VanDerWaalsContact CB-CG 3.47Å; S294-N456 WeakPolarHBondContact CB-ND2 3.15Å; S294-N456 WeakPolarHBondContact CB-OD1 3.5Å; S294-N456 PolarHBondContact OG-OD1 2.96Å; L454-N456 PolarHBondContact O-N 3.3Å
457	H	94.9	Very high	95.9	Very high	33 Å²	33	27 Å²	27	15%	0.153	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.1	-177.1	-55.9	81.1	0	0	0	111.2	A453 L454 Y459 K475 Y476	A453-H457 WeakPolarHBondContact CA-O 3.41Å; L454-H457 PolarHBondContact N-O 3.24Å; L454-H457 PolarHBondContact O-N 3.03Å; H457-Y459 HydrophobicContact CB-CD2 4.4Å; H457-Y459 HydrophobicContact CB-CE2 3.91Å; H457-K475 HydrophobicContact CB-CB 4.28Å; H457-K475 PolarHBondContact NE2-NZ 2.93Å; H457-K475 VanDerWaalsContact NE2-NZ 3.17Å; H457-Y476 WeakPolarHBondContact CA-O 3.42Å; H457-Y476 WeakPolarHBondContact CB-O 3.38Å
458	V	97.8	Very high	95.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.8	167.8	171.2	0	0	0	0	108.3	A405 L407 Y412 I414 K475 Y476 W483	A405-V458 HydrophobicContact CB-CB 4.39Å; A405-V458 HydrophobicContact CB-CG1 3.56Å; A405-V458 HydrophobicContact CB-CG2 4Å; L407-V458 HydrophobicContact CB-CG2 3.86Å; L407-V458 HydrophobicContact CD2-CG2 3.97Å; Y412-V458 HydrophobicContact CD2-CG2 4.03Å; Y412-V458 HydrophobicContact CE2-CG2 4.31Å; Y412-V458 HydrophobicContact CG-CG2 4.34Å; I414-V458 HydrophobicContact CD1-CG1 3.5Å; I414-V458 VanDerWaalsContact CD1-CG1 3.5Å; V458-K475 CarbonylContact O-C 3.55Å; V458-K475 VanDerWaalsContact O-CA 3.31Å; V458-K475 WeakPolarHBondContact O-CA 3.39Å; V458-Y476 PolarHBondContact N-O 3.4Å; V458-Y476 PolarHBondContact O-N 3Å; V458-W483 HydrophobicContact CG1-CH2 4.2Å
459	Y	98.4	Very high	96	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.8	178.2	-71.6	-103.8	0	0	0	110.5	S451 V452 L454 H457 V473 E474 K475 V486 L505 F523	S451-Y459 WeakPolarHBondContact CA-O 3.22Å; S451-Y459 WeakPolarHBondContact CB-O 3.33Å; V452-Y459 PolarHBondContact N-O 2.93Å; V452-Y459 PolarHBondContact O-N 2.83Å; L454-Y459 HydrophobicContact CB-CD2 3.91Å; L454-Y459 HydrophobicContact CB-CE2 3.83Å; L454-Y459 HydrophobicContact CD2-CE2 4.33Å; L454-Y459 HydrophobicContact CG-CE2 4.2Å; H457-Y459 HydrophobicContact CB-CD2 4.4Å; H457-Y459 HydrophobicContact CB-CE2 3.91Å; Y459-V473 HydrophobicContact CD1-CG1 4.24Å; Y459-E474 CarbonylContact C-O 3.58Å; Y459-E474 WeakPolarHBondContact CA-O 3.43Å; Y459-K475 HydrophobicContact CD1-CB 3.9Å; Y459-K475 HydrophobicContact CE1-CB 3.81Å; Y459-K475 HydrophobicContact CE1-CD 4.28Å; Y459-K475 HydrophobicContact CE2-CB 4.42Å; Y459-K475 HydrophobicContact CG-CB 4.25Å; Y459-V486 HydrophobicContact CD1-CG2 4.46Å; Y459-V486 HydrophobicContact CE1-CG1 4.37Å; Y459-V486 HydrophobicContact CE1-CG2 4.09Å; Y459-L505 HydrophobicContact CD1-CD1 4.08Å; Y459-L505 HydrophobicContact CD2-CD1 4.46Å; Y459-L505 HydrophobicContact CG-CD1 3.83Å; Y459-F523 HydrophobicContact CE1-CE1 4.14Å
460	A	98.6	Very high	96	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.8	169.1	0	0	0	0	0	108.5	I414 M442 V449 V473 E474 W483	I414-A460 HydrophobicContact CG2-CB 4.03Å; M442-A460 HydrophobicContact SD-CB 3.67Å; V449-A460 HydrophobicContact CG2-CB 4.1Å; A460-V473 WeakPolarHBondContact O-CA 3.45Å; A460-V473 WeakPolarHBondContact O-CG1 3.36Å; A460-E474 PolarHBondContact N-O 2.72Å; A460-E474 PolarHBondContact O-N 2.94Å; A460-W483 HydrophobicContact CB-CE3 4.39Å; A460-W483 HydrophobicContact CB-CH2 3.84Å; A460-W483 HydrophobicContact CB-CZ3 3.49Å; A460-W483 VanDerWaalsContact CB-CZ3 3.49Å
461	V	98.6	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.9	-161.9	-173.2	0	0	0	0	110	G450 V473 M489 V498 L505 V507 W530	G450-V461 PolarHBondContact N-O 2.91Å; G450-V461 VanDerWaalsContact N-O 3.14Å; G450-V461 PolarHBondContact O-N 2.77Å; V461-V473 HydrophobicContact CG1-CG2 3.95Å; V461-V473 HydrophobicContact CG2-CG1 4.08Å; V461-M489 HydrophobicContact CG1-CE 3.9Å; V461-M489 HydrophobicContact CG1-SD 3.52Å; V461-M489 VanDerWaalsContact CG1-SD 3.52Å; V461-V498 HydrophobicContact CB-CG2 3.94Å; V461-V498 HydrophobicContact CG1-CG2 4.3Å; V461-V498 HydrophobicContact CG2-CG1 4.2Å; V461-V498 HydrophobicContact CG2-CG2 4.21Å; V461-L505 HydrophobicContact CG2-CD1 3.88Å; V461-L505 HydrophobicContact CG2-CD2 4.29Å; V461-V507 HydrophobicContact CG1-CG1 4.22Å; V461-V507 HydrophobicContact CG1-CG2 3.69Å; V461-W530 HydrophobicContact CG1-CH2 4.47Å
462	G	98.4	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.195	C	C	.	.			trans	62.2	-136.4	179.7	0	0	0	0	0	112.4	R446 L470 S472 R493	R446-G462 WeakPolarHBondContact CD-O 3.45Å; R446-G462 PolarHBondContact NH1-O 2.83Å; G462-L470 WeakPolarHBondContact CA-O 3.48Å; G462-S472 PolarHBondContact N-O 2.83Å; G462-R493 WeakPolarHBondContact CA-O 3.46Å
463	G	98	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.19	C	C	.	.			trans	88.3	-170.6	-167.6	0	0	0	0	0	111.7	G447 S469 L470 R493	G447-G463 CarbonylContact O-C 3.58Å; G447-G463 WeakPolarHBondContact O-CA 3.08Å; G463-S469 CarbonylContact O-C 3.55Å; G463-S469 WeakPolarHBondContact O-CA 3.4Å; G463-L470 WeakPolarHBondContact O-CB 3.22Å; G463-L470 PolarHBondContact O-N 2.62Å; G463-R493 PolarHBondContact N-O 3.5Å
464	N	96.9	Very high	96.3	Very high	39 Å²	39	28.4 Å²	28.4	21%	0.209	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-126.6	139.2	178	-178.6	-72.4	0	0	0	109.3	C422 R446 G447 G466 A468 S469 A494 D513	C422-N464 PolarHBondContact SG-O 2.8Å; R446-N464 CarbonylContact C-O 3.55Å; R446-N464 WeakPolarHBondContact CA-O 3.49Å; G447-N464 PolarHBondContact N-O 2.75Å; G447-N464 PolarHBondContact O-N 2.85Å; N464-G466 WeakPolarHBondContact OD1-CA 3.48Å; N464-G466 PolarHBondContact OD1-N 3.45Å; N464-A468 VanDerWaalsContact CA-O 3.27Å; N464-A468 WeakPolarHBondContact CA-O 3.3Å; N464-A468 PolarHBondContact ND2-O 2.82Å; N464-S469 PolarHBondContact ND2-N 2.73Å; N464-A494 HydrophobicContact CB-CB 3.95Å; N464-D513 PolarHBondContact ND2-OD1 3.08Å
465	D	96.9	Very high	96.5	Very high	53 Å²	53	30.5 Å²	30.5	28%	0.283	19%	0.189	S	C	.	.			trans	-89.3	0.3	-176.3	63.1	0.2	0	0	0	114.4	T444 P445 V467 A468 L470	T444-D465 HydrophobicContact CG2-CB 4.14Å; P445-D465 HydrophobicContact CG-CB 4.4Å; P445-D465 WeakPolarHBondContact O-CA 3.31Å; D465-V467 WeakPolarHBondContact OD1-CA 3.33Å; D465-V467 WeakPolarHBondContact OD1-CB 3.49Å; D465-V467 PolarHBondContact OD1-N 3.49Å; D465-A468 PolarHBondContact N-O 2.92Å; D465-A468 VanDerWaalsContact N-O 3.16Å; D465-A468 PolarHBondContact OD1-N 3.41Å; D465-L470 HydrophobicContact CB-CD1 4.28Å; D465-L470 HydrophobicContact CB-CD2 4.18Å
466	G	94.8	Very high	97.2	Very high	56 Å²	56	27.6 Å²	27.6	58%	0.577	17%	0.17	S	C	*	.	S	Bend	trans	101.3	-10.3	-169.4	0	0	0	0	0	113.5	N464	N464-G466 WeakPolarHBondContact OD1-CA 3.48Å; N464-G466 PolarHBondContact OD1-N 3.45Å
467	V	94.7	Very high	97.5	Very high	133 Å²	133	25.1 Å²	25.1	81%	0.806	16%	0.157	S	C	*	.	S	Bend	trans	-120.8	-46.7	178.9	-175.4	0	0	0	0	111.3	D465	D465-V467 WeakPolarHBondContact OD1-CA 3.33Å; D465-V467 WeakPolarHBondContact OD1-CB 3.49Å; D465-V467 PolarHBondContact OD1-N 3.49Å
468	A	96.6	Very high	97.5	Very high	35 Å²	35	25.7 Å²	25.7	29%	0.289	16%	0.163	S	C	.	.	S	Bend	trans	-148.9	159.9	-176.9	0	0	0	0	0	112.5	N464 D465	N464-A468 VanDerWaalsContact CA-O 3.27Å; N464-A468 WeakPolarHBondContact CA-O 3.3Å; N464-A468 PolarHBondContact ND2-O 2.82Å; D465-A468 PolarHBondContact N-O 2.92Å; D465-A468 VanDerWaalsContact N-O 3.16Å; D465-A468 PolarHBondContact OD1-N 3.41Å
469	S	98.1	Very high	97.3	Very high	7 Å²	7	33 Å²	33	5%	0.049	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-69.6	149.1	168.6	-65	0	0	0	0	110.5	G463 N464 R492 F511 D513	G463-S469 CarbonylContact O-C 3.55Å; G463-S469 WeakPolarHBondContact O-CA 3.4Å; N464-S469 PolarHBondContact ND2-N 2.73Å; S469-R492 WeakPolarHBondContact O-CB 2.97Å; S469-R492 VanDerWaalsContact O-CD 3.28Å; S469-R492 WeakPolarHBondContact O-CD 3.44Å; S469-F511 PolarHBondContact OG-O 2.97Å; S469-D513 VanDerWaalsContact CB-OD1 3.3Å; S469-D513 WeakPolarHBondContact CB-OD1 3.42Å; S469-D513 WeakPolarHBondContact CB-OD2 3.31Å; S469-D513 VanDerWaalsContact N-CG 3.31Å; S469-D513 PolarHBondContact N-OD1 2.88Å; S469-D513 PolarHBondContact N-OD2 2.84Å; S469-D513 VanDerWaalsContact OG-CG 3.28Å; S469-D513 PolarHBondContact OG-OD1 2.79Å
470	L	98.4	Very high	97.2	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.105	22%	0.223	C	C	.	.			trans	-108.3	140	-169.3	-60	173.2	0	0	0	112.1	T444 R446 G462 G463 D465 R492 R493	T444-L470 HydrophobicContact CG2-CD1 3.87Å; R446-L470 HydrophobicContact CG-CD1 3.97Å; G462-L470 WeakPolarHBondContact CA-O 3.48Å; G463-L470 WeakPolarHBondContact O-CB 3.22Å; G463-L470 PolarHBondContact O-N 2.62Å; D465-L470 HydrophobicContact CB-CD1 4.28Å; D465-L470 HydrophobicContact CB-CD2 4.18Å; L470-R492 WeakPolarHBondContact O-CA 3.3Å; L470-R493 PolarHBondContact O-N 3.29Å
471	S	98.3	Very high	97.1	Very high	33 Å²	33	41.6 Å²	41.6	23%	0.231	24%	0.244	C	C	.	.			trans	-88.4	-21.6	162	44.8	0	0	0	0	112.2	E488 M489	S471-E488 WeakPolarHBondContact CB-OE2 3.35Å; S471-E488 WeakPolarHBondContact O-CA 3.45Å; S471-E488 WeakPolarHBondContact O-CB 3.37Å; S471-E488 PolarHBondContact OG-OE2 2.88Å; S471-M489 PolarHBondContact O-N 3.14Å
472	S	98.5	Very high	97.1	Very high	20 Å²	20	47.3 Å²	47.3	14%	0.14	27%	0.268	C	S	.	.			trans	-67.4	149	-173.3	69.8	0	0	0	0	112.8	R446 G462 E488	R446-S472 PolarHBondContact NH1-O 2.75Å; R446-S472 PolarHBondContact NH1-OG 3.19Å; R446-S472 PolarHBondContact NH2-OG 3.5Å; G462-S472 PolarHBondContact N-O 2.83Å; S472-E488 WeakPolarHBondContact CB-OE1 3.36Å
473	V	98.6	Very high	97.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.3	-177.2	-179.3	0	0	0	0	108.7	Y459 A460 V461 V486 M489 W530	Y459-V473 HydrophobicContact CD1-CG1 4.24Å; A460-V473 WeakPolarHBondContact O-CA 3.45Å; A460-V473 WeakPolarHBondContact O-CG1 3.36Å; V461-V473 HydrophobicContact CG1-CG2 3.95Å; V461-V473 HydrophobicContact CG2-CG1 4.08Å; V473-V486 HydrophobicContact CB-CB 4.28Å; V473-V486 HydrophobicContact CG1-CB 4.13Å; V473-V486 PolarHBondContact O-N 2.88Å; V473-M489 HydrophobicContact CG2-CE 4.45Å; V473-M489 HydrophobicContact CG2-CG 4.1Å; V473-W530 HydrophobicContact CG2-CZ2 3.98Å
474	E	98.4	Very high	97.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.5	176.8	-64.1	173.4	-108.8	0	0	109.7	N443 T444 R446 Y459 A460 W483 I484	N443-E474 WeakPolarHBondContact CB-OE2 3.35Å; N443-E474 PolarHBondContact N-OE2 2.81Å; N443-E474 PolarHBondContact ND2-OE2 2.94Å; T444-E474 PolarHBondContact N-OE1 2.81Å; R446-E474 IonicContact CZ-OE1 3.94Å; R446-E474 IonicContact NE-OE1 3.22Å; R446-E474 PolarHBondContact NE-OE1 2.82Å; R446-E474 IonicContact NH2-OE1 3.54Å; R446-E474 PolarHBondContact NH2-OE1 3.07Å; Y459-E474 CarbonylContact C-O 3.58Å; Y459-E474 WeakPolarHBondContact CA-O 3.43Å; A460-E474 PolarHBondContact N-O 2.72Å; A460-E474 PolarHBondContact O-N 2.94Å; E474-W483 HydrophobicContact CB-CE3 3.72Å; E474-W483 HydrophobicContact CB-CZ3 4.35Å; E474-I484 CarbonylContact C-O 3.51Å; E474-I484 WeakPolarHBondContact CA-O 3.41Å
475	K	97.8	Very high	97.1	Very high	49 Å²	49	55.4 Å²	55.4	21%	0.213	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.4	170.2	69.8	177.3	-174.8	145.5	0	110.7	H457 V458 Y459 W483 I484 V486	H457-K475 HydrophobicContact CB-CB 4.28Å; H457-K475 PolarHBondContact NE2-NZ 2.93Å; H457-K475 VanDerWaalsContact NE2-NZ 3.17Å; V458-K475 CarbonylContact O-C 3.55Å; V458-K475 VanDerWaalsContact O-CA 3.31Å; V458-K475 WeakPolarHBondContact O-CA 3.39Å; Y459-K475 HydrophobicContact CD1-CB 3.9Å; Y459-K475 HydrophobicContact CE1-CB 3.81Å; Y459-K475 HydrophobicContact CE1-CD 4.28Å; Y459-K475 HydrophobicContact CE2-CB 4.42Å; Y459-K475 HydrophobicContact CG-CB 4.25Å; K475-W483 CarbonylContact O-C 3.5Å; K475-W483 WeakPolarHBondContact O-CA 3.38Å; K475-I484 HydrophobicContact CG-CB 4.22Å; K475-I484 PolarHBondContact N-O 2.79Å; K475-I484 PolarHBondContact O-N 3.14Å; K475-V486 HydrophobicContact CB-CG2 3.81Å; K475-V486 HydrophobicContact CD-CG2 3.83Å; K475-V486 HydrophobicContact CG-CG2 3.59Å
476	Y	98.4	Very high	97.1	Very high	6 Å²	6	54 Å²	54	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.6	172.8	177.7	-107.8	0	0	0	110.4	Y412 I439 H457 V458 P478 D481 K482 W483	Y412-Y476 HydrophobicContact CE1-CD1 4.35Å; Y412-Y476 AromaticContact CE1-CE1 3.84Å; Y412-Y476 HydrophobicContact CE1-CE1 3.84Å; I439-Y476 HydrophobicContact CD1-CD1 4.5Å; I439-Y476 HydrophobicContact CD1-CD2 4.48Å; I439-Y476 HydrophobicContact CD1-CE1 3.93Å; I439-Y476 HydrophobicContact CD1-CE2 3.92Å; H457-Y476 WeakPolarHBondContact CA-O 3.42Å; H457-Y476 WeakPolarHBondContact CB-O 3.38Å; V458-Y476 PolarHBondContact N-O 3.4Å; V458-Y476 PolarHBondContact O-N 3Å; Y476-P478 HydrophobicContact CD1-CB 4.44Å; Y476-P478 HydrophobicContact CE1-CB 3.77Å; Y476-D481 WeakPolarHBondContact CE2-OD1 3.49Å; Y476-D481 PolarHBondContact OH-OD1 2.9Å; Y476-K482 WeakPolarHBondContact CA-O 3.35Å; Y476-W483 AromaticContact CD2-CD1 3.89Å; Y476-W483 HydrophobicContact CD2-CD2 4.28Å; Y476-W483 AromaticContact CD2-CE2 3.89Å; Y476-W483 HydrophobicContact CD2-CG 4.3Å; Y476-W483 HydrophobicContact CD2-CZ2 4.42Å; Y476-W483 AromaticContact CD2-NE1 3.63Å; Y476-W483 HydrophobicContact CG-CD2 4.47Å; Y476-W483 HydrophobicContact CG-CZ2 4.21Å
477	D	96.1	Very high	97.2	Very high	26 Å²	26	56.2 Å²	56.2	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.3	167.4	-173.8	-16	0	0	0	109.8	H479 L480 D481 K482 I484	D477-H479 PolarHBondContact O-N 3.01Å; D477-H479 WeakPolarHBondContact OD1-CB 3.45Å; D477-H479 IonicContact OD1-CG 2.71Å; D477-H479 PolarHBondContact OD1-N 3.11Å; D477-H479 IonicContact OD1-ND1 2.71Å; D477-H479 PolarHBondContact OD1-ND1 3.04Å; D477-L480 HydrophobicContact CB-CB 4.23Å; D477-L480 HydrophobicContact CB-CD1 4.28Å; D477-L480 HydrophobicContact CB-CG 4.32Å; D477-L480 PolarHBondContact O-N 2.83Å; D477-L480 WeakPolarHBondContact OD2-CD1 3.23Å; D477-D481 PolarHBondContact O-N 3.32Å; D477-K482 PolarHBondContact N-O 2.85Å; D477-K482 PolarHBondContact O-N 2.92Å; D477-I484 HydrophobicContact CB-CD1 4.48Å
478	P	94.4	Very high	97.4	Very high	45 Å²	45	54.8 Å²	54.8	29%	0.292	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.4	-179.4	28.8	-35.9	0	0	0	114.3	L407 Y476	L407-P478 HydrophobicContact CD2-CG 3.99Å; Y476-P478 HydrophobicContact CD1-CB 4.44Å; Y476-P478 HydrophobicContact CE1-CB 3.77Å
479	H	93.7	Very high	97.5	Very high	155 Å²	155	53.6 Å²	53.6	72%	0.718	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.7	176.3	-52.7	86.7	0	0	0	112.3	D477	D477-H479 PolarHBondContact O-N 3.01Å; D477-H479 WeakPolarHBondContact OD1-CB 3.45Å; D477-H479 IonicContact OD1-CG 2.71Å; D477-H479 PolarHBondContact OD1-N 3.11Å; D477-H479 IonicContact OD1-ND1 2.71Å; D477-H479 PolarHBondContact OD1-ND1 3.04Å
480	L	96.6	Very high	97.4	Very high	113 Å²	113	56 Å²	56	59%	0.592	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-11.5	179.9	-60.3	179.2	0	0	0	112.8	D477 K482 I484	D477-L480 HydrophobicContact CB-CB 4.23Å; D477-L480 HydrophobicContact CB-CD1 4.28Å; D477-L480 HydrophobicContact CB-CG 4.32Å; D477-L480 PolarHBondContact O-N 2.83Å; D477-L480 WeakPolarHBondContact OD2-CD1 3.23Å; L480-K482 VanDerWaalsContact C-N 3.32Å; L480-K482 HydrophobicContact CB-CB 4.13Å; L480-K482 PolarHBondContact O-N 2.73Å; L480-I484 HydrophobicContact CD1-CD1 4.42Å
481	D	97.2	Very high	97.4	Very high	79 Å²	79	57.5 Å²	57.5	42%	0.422	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	57.5	-166.7	-169.6	18.4	0	0	0	110.7	A440 Y476 D477	A440-D481 WeakPolarHBondContact CB-O 3.49Å; A440-D481 VanDerWaalsContact CB-OD1 3.25Å; A440-D481 WeakPolarHBondContact CB-OD1 3.39Å; A440-D481 PolarHBondContact N-OD1 3.14Å; Y476-D481 WeakPolarHBondContact CE2-OD1 3.49Å; Y476-D481 PolarHBondContact OH-OD1 2.9Å; D477-D481 PolarHBondContact O-N 3.32Å
482	K	98.1	Very high	97.4	Very high	119 Å²	119	60.8 Å²	60.8	52%	0.517	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	138.2	-173.3	-175.3	169.8	-178.7	-179.3	0	113.3	Y476 D477 L480 I484	Y476-K482 WeakPolarHBondContact CA-O 3.35Å; D477-K482 PolarHBondContact N-O 2.85Å; D477-K482 PolarHBondContact O-N 2.92Å; L480-K482 VanDerWaalsContact C-N 3.32Å; L480-K482 HydrophobicContact CB-CB 4.13Å; L480-K482 PolarHBondContact O-N 2.73Å; K482-I484 HydrophobicContact CG-CG1 4.41Å
483	W	98.6	Very high	97.4	Very high	5 Å²	5	59.9 Å²	59.9	2%	0.019	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.6	165.9	-67.9	88.4	0	0	0	111.6	I414 V426 A440 M442 N443 V458 A460 E474 K475 Y476	I414-W483 HydrophobicContact CG1-CH2 4.46Å; I414-W483 HydrophobicContact CG2-CH2 4.07Å; I414-W483 HydrophobicContact CG2-CZ2 4.33Å; V426-W483 HydrophobicContact CB-CZ2 4.47Å; V426-W483 HydrophobicContact CG1-CZ2 4.19Å; V426-W483 HydrophobicContact CG2-CZ2 3.72Å; A440-W483 PolarHBondContact O-NE1 2.91Å; M442-W483 HydrophobicContact CB-CD2 4.49Å; M442-W483 HydrophobicContact CB-CG 4.49Å; M442-W483 HydrophobicContact CG-CD2 3.74Å; M442-W483 HydrophobicContact CG-CE3 4.12Å; M442-W483 HydrophobicContact CG-CG 4.2Å; M442-W483 HydrophobicContact CG-CH2 4.29Å; M442-W483 HydrophobicContact CG-CZ2 3.94Å; M442-W483 HydrophobicContact CG-CZ3 4.38Å; M442-W483 HydrophobicContact SD-CH2 4.46Å; N443-W483 PolarHBondContact ND2-O 2.78Å; V458-W483 HydrophobicContact CG1-CH2 4.2Å; A460-W483 HydrophobicContact CB-CE3 4.39Å; A460-W483 HydrophobicContact CB-CH2 3.84Å; A460-W483 HydrophobicContact CB-CZ3 3.49Å; A460-W483 VanDerWaalsContact CB-CZ3 3.49Å; E474-W483 HydrophobicContact CB-CE3 3.72Å; E474-W483 HydrophobicContact CB-CZ3 4.35Å; K475-W483 CarbonylContact O-C 3.5Å; K475-W483 WeakPolarHBondContact O-CA 3.38Å; Y476-W483 AromaticContact CD2-CD1 3.89Å; Y476-W483 HydrophobicContact CD2-CD2 4.28Å; Y476-W483 AromaticContact CD2-CE2 3.89Å; Y476-W483 HydrophobicContact CD2-CG 4.3Å; Y476-W483 HydrophobicContact CD2-CZ2 4.42Å; Y476-W483 AromaticContact CD2-NE1 3.63Å; Y476-W483 HydrophobicContact CG-CD2 4.47Å; Y476-W483 HydrophobicContact CG-CZ2 4.21Å
484	I	98.2	Very high	97.3	Very high	57 Å²	57	60.4 Å²	60.4	29%	0.292	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.3	-175.2	-55.6	172.7	0	0	0	107.6	E474 K475 D477 L480 K482	E474-I484 CarbonylContact C-O 3.51Å; E474-I484 WeakPolarHBondContact CA-O 3.41Å; K475-I484 HydrophobicContact CG-CB 4.22Å; K475-I484 PolarHBondContact N-O 2.79Å; K475-I484 PolarHBondContact O-N 3.14Å; D477-I484 HydrophobicContact CB-CD1 4.48Å; L480-I484 HydrophobicContact CD1-CD1 4.42Å; K482-I484 HydrophobicContact CG-CG1 4.41Å
485	E	97.5	Very high	97.2	Very high	148 Å²	148	61.4 Å²	61.4	69%	0.692	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	142.3	175.8	-67.5	175.9	174.6	0	0	111.8
486	V	96	Very high	97.3	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.139	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	159.2	176.1	-174.9	0	0	0	0	107.7	Y459 V473 K475 E488 F523	Y459-V486 HydrophobicContact CD1-CG2 4.46Å; Y459-V486 HydrophobicContact CE1-CG1 4.37Å; Y459-V486 HydrophobicContact CE1-CG2 4.09Å; V473-V486 HydrophobicContact CB-CB 4.28Å; V473-V486 HydrophobicContact CG1-CB 4.13Å; V473-V486 PolarHBondContact O-N 2.88Å; K475-V486 HydrophobicContact CB-CG2 3.81Å; K475-V486 HydrophobicContact CD-CG2 3.83Å; K475-V486 HydrophobicContact CG-CG2 3.59Å; V486-E488 PolarHBondContact O-N 3.16Å; V486-F523 HydrophobicContact CG1-CE1 4.02Å; V486-F523 HydrophobicContact CG1-CE2 4.21Å; V486-F523 HydrophobicContact CG1-CZ 3.56Å
487	K	97.4	Very high	97.2	Very high	103 Å²	103	59.5 Å²	59.5	45%	0.448	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-50.5	130.3	175.4	-174.2	177.1	-179.1	170	0	111.2	N528 W530	K487-N528 WeakPolarHBondContact CB-OD1 3.36Å; K487-N528 WeakPolarHBondContact CD-O 3.37Å; K487-N528 PolarHBondContact NZ-O 3.12Å; K487-W530 PolarHBondContact O-NE1 2.7Å
488	E	98.3	Very high	97.3	Very high	103 Å²	103	59 Å²	59	48%	0.481	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-69	156.3	-178.6	-51	-156.2	161.2	0	0	113.5	S471 S472 V486 W530	S471-E488 WeakPolarHBondContact CB-OE2 3.35Å; S471-E488 WeakPolarHBondContact O-CA 3.45Å; S471-E488 WeakPolarHBondContact O-CB 3.37Å; S471-E488 PolarHBondContact OG-OE2 2.88Å; S472-E488 WeakPolarHBondContact CB-OE1 3.36Å; V486-E488 PolarHBondContact O-N 3.16Å; E488-W530 PolarHBondContact O-NE1 3.22Å
489	M	98.3	Very high	97.4	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.049	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-66.9	158.9	168.5	-64.7	178.3	-66.1	0	0	111.5	V461 S471 V473 R493 V507 W530	V461-M489 HydrophobicContact CG1-CE 3.9Å; V461-M489 HydrophobicContact CG1-SD 3.52Å; V461-M489 VanDerWaalsContact CG1-SD 3.52Å; S471-M489 PolarHBondContact O-N 3.14Å; V473-M489 HydrophobicContact CG2-CE 4.45Å; V473-M489 HydrophobicContact CG2-CG 4.1Å; M489-R493 HydrophobicContact CE-CG 3.68Å; M489-R493 HydrophobicContact SD-CG 4.11Å; M489-V507 HydrophobicContact SD-CB 4.26Å; M489-V507 HydrophobicContact SD-CG1 3.98Å; M489-V507 HydrophobicContact SD-CG2 4.01Å; M489-W530 HydrophobicContact CG-CD2 4.26Å; M489-W530 HydrophobicContact CG-CE3 4.29Å; M489-W530 HydrophobicContact CG-CH2 3.62Å; M489-W530 HydrophobicContact CG-CZ2 3.62Å; M489-W530 HydrophobicContact CG-CZ3 3.98Å; M489-W530 HydrophobicContact SD-CH2 4.23Å
490	G	97.6	Very high	97.5	Very high	57 Å²	57	53.2 Å²	53.2	59%	0.588	28%	0.277	S	S	*	.	S	Bend	trans	-71.5	-27.9	172.8	0	0	0	0	0	113.8	E521	G490-E521 PolarHBondContact N-OE2 2.94Å
491	Q	97.4	Very high	97.4	Very high	51 Å²	51	48 Å²	48	24%	0.238	25%	0.25	C	C	.	.	S	Bend	trans	-129	130	177.7	-170.7	171.8	23.3	0	0	112.4	R493 D512 L517 S519 E521	Q491-R493 PolarHBondContact O-NE 2.71Å; Q491-D512 PolarHBondContact NE2-OD2 2.69Å; Q491-L517 HydrophobicContact CG-CD1 4.1Å; Q491-S519 PolarHBondContact OE1-OG 2.77Å; Q491-E521 PolarHBondContact N-OE1 2.62Å; Q491-E521 VanDerWaalsContact N-OE1 3.08Å
492	R	98.1	Very high	97	Very high	103 Å²	103	46.6 Å²	46.6	39%	0.389	24%	0.241	S	C	.	.			trans	-63.8	141.8	173.5	75.6	177.8	-178.7	-74.6	-11.2	111.2	S469 L470 D512 D513	S469-R492 WeakPolarHBondContact O-CB 2.97Å; S469-R492 VanDerWaalsContact O-CD 3.28Å; S469-R492 WeakPolarHBondContact O-CD 3.44Å; L470-R492 WeakPolarHBondContact O-CA 3.3Å; R492-D512 HydrophobicContact CG-CB 4.19Å; R492-D512 PolarHBondContact NE-O 2.91Å; R492-D512 VanDerWaalsContact NE-O 3.09Å; R492-D512 PolarHBondContact NH2-O 2.77Å; R492-D512 WeakPolarHBondContact O-CB 3.32Å; R492-D513 IonicContact NE-OD2 2.75Å; R492-D513 PolarHBondContact NE-OD2 2.63Å
493	R	98.2	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.			trans	-160.6	140.1	-176.4	53.9	-173.1	76.1	-139.7	12.4	112.9	G462 G463 L470 M489 Q491 N496 V507 G509 F511 L517 S519 E521	G462-R493 WeakPolarHBondContact CA-O 3.46Å; G463-R493 PolarHBondContact N-O 3.5Å; L470-R493 PolarHBondContact O-N 3.29Å; M489-R493 HydrophobicContact CE-CG 3.68Å; M489-R493 HydrophobicContact SD-CG 4.11Å; Q491-R493 PolarHBondContact O-NE 2.71Å; R493-N496 HydrophobicContact CB-CB 4.41Å; R493-N496 HydrophobicContact CG-CB 4.12Å; R493-N496 PolarHBondContact O-OD1 3.36Å; R493-V507 VanDerWaalsContact CD-CG1 3.47Å; R493-G509 PolarHBondContact NH1-O 3.37Å; R493-F511 CarbonylContact C-O 3.58Å; R493-F511 WeakPolarHBondContact CA-O 3.43Å; R493-L517 HydrophobicContact CB-CD1 3.86Å; R493-S519 PolarHBondContact NH1-O 2.95Å; R493-S519 PolarHBondContact NH1-OG 3.14Å; R493-S519 PolarHBondContact NH2-OG 3.24Å; R493-E521 IonicContact CZ-OE1 3.8Å; R493-E521 IonicContact NE-OE1 3.26Å; R493-E521 IonicContact NH2-OE1 3.62Å; R493-E521 PolarHBondContact NH2-OE1 3.01Å
494	A	97.8	Very high	96.4	Very high	15 Å²	15	41.7 Å²	41.7	12%	0.124	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-123.1	153.2	167.7	0	0	0	0	0	111	N464 N496 G510 F511	N464-A494 HydrophobicContact CB-CB 3.95Å; A494-N496 PolarHBondContact O-N 2.75Å; A494-G510 CarbonylContact O-C 3.56Å; A494-G510 VanDerWaalsContact O-CA 3.28Å; A494-G510 WeakPolarHBondContact O-CA 3.47Å; A494-F511 PolarHBondContact N-O 3.18Å; A494-F511 PolarHBondContact O-N 3.13Å
495	G	96.5	Very high	96.3	Very high	23 Å²	23	39 Å²	39	24%	0.237	21%	0.21	C	C	.	.	S	Bend	trans	64.7	25	-176.6	0	0	0	0	0	113.6	G448 G542 V543	G448-G495 WeakPolarHBondContact O-CA 3.23Å; G448-G495 PolarHBondContact O-N 2.83Å; G495-G542 VanDerWaalsContact O-CA 3.23Å; G495-G542 WeakPolarHBondContact O-CA 3.45Å; G495-G542 PolarHBondContact O-N 2.84Å; G495-V543 PolarHBondContact O-N 2.88Å
496	N	98	Very high	96.4	Very high	9 Å²	9	32.5 Å²	32.5	5%	0.048	18%	0.179	C	C	.	.			trans	-77.8	150.2	174.7	51.8	-74.8	0	0	0	111.6	R493 A494 V498 V507 G509	R493-N496 HydrophobicContact CB-CB 4.41Å; R493-N496 HydrophobicContact CG-CB 4.12Å; R493-N496 PolarHBondContact O-OD1 3.36Å; A494-N496 PolarHBondContact O-N 2.75Å; N496-V498 WeakPolarHBondContact ND2-CG2 3.34Å; N496-V507 HydrophobicContact CB-CG1 3.96Å; N496-V507 WeakPolarHBondContact ND2-CG1 3.44Å; N496-G509 WeakPolarHBondContact CB-O 3.38Å
497	G	97.8	Very high	96.5	Very high	5 Å²	5	31.4 Å²	31.4	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	146.2	165.3	0	0	0	0	0	110.9	V507 V508	G497-V507 WeakPolarHBondContact O-CA 3.36Å; G497-V508 PolarHBondContact N-O 2.85Å; G497-V508 PolarHBondContact O-N 3.41Å
498	V	98.1	Very high	96.6	Very high	16 Å²	16	26.5 Å²	26.5	10%	0.097	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.5	170.1	-175.2	0	0	0	0	109.4	V452 V461 N496 L505 Y506 V507	V452-V498 HydrophobicContact CB-CG1 3.93Å; V452-V498 HydrophobicContact CG1-CG1 3.74Å; V461-V498 HydrophobicContact CB-CG2 3.94Å; V461-V498 HydrophobicContact CG1-CG2 4.3Å; V461-V498 HydrophobicContact CG2-CG1 4.2Å; V461-V498 HydrophobicContact CG2-CG2 4.21Å; N496-V498 WeakPolarHBondContact ND2-CG2 3.34Å; V498-L505 HydrophobicContact CG1-CD1 4.19Å; V498-L505 HydrophobicContact CG1-CD2 3.81Å; V498-L505 HydrophobicContact CG1-CG 3.78Å; V498-Y506 WeakPolarHBondContact CA-O 3.34Å; V498-V507 HydrophobicContact CG2-CG1 4.16Å; V498-V507 HydrophobicContact CG2-CG2 4.44Å
499	S	97.1	Very high	96.6	Very high	13 Å²	13	21.6 Å²	21.6	9%	0.091	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158	177.1	-129.8	0	0	0	0	111.3	Y506 T547	S499-Y506 PolarHBondContact N-O 3.46Å; S499-Y506 PolarHBondContact O-N 3.32Å; S499-T547 PolarHBondContact OG-N 3.06Å; S499-T547 PolarHBondContact OG-OG1 3.05Å
500	E	95.2	Very high	96.6	Very high	65 Å²	65	21.1 Å²	21.1	30%	0.304	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.9	171.5	-175.8	-80.3	134.3	0	0	108.2	V452 L454 H502 G503 C504 T547	V452-E500 HydrophobicContact CG2-CB 3.75Å; L454-E500 HydrophobicContact CD1-CG 3.81Å; E500-H502 PolarHBondContact OE1-N 2.92Å; E500-G503 PolarHBondContact OE1-N 2.85Å; E500-C504 WeakPolarHBondContact CA-O 3.42Å; E500-T547 WeakPolarHBondContact O-CB 3.32Å; E500-T547 PolarHBondContact O-OG1 3.38Å
501	L	94	Very high	96.6	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	123	170	176.1	67.4	0	0	0	108.9	G503 C504 Y506 T547 G550 I552 P572	L501-G503 VanDerWaalsContact C-N 3.31Å; L501-G503 PolarHBondContact O-N 3.23Å; L501-C504 PolarHBondContact N-O 2.88Å; L501-C504 PolarHBondContact O-N 2.86Å; L501-Y506 HydrophobicContact CB-CD2 3.89Å; L501-Y506 HydrophobicContact CB-CE2 3.73Å; L501-Y506 HydrophobicContact CD2-CE2 4.1Å; L501-Y506 HydrophobicContact CG-CE2 4.23Å; L501-T547 HydrophobicContact CD1-CG2 3.71Å; L501-G550 WeakPolarHBondContact CD1-O 3.45Å; L501-I552 HydrophobicContact CB-CD1 4.13Å; L501-I552 HydrophobicContact CB-CG1 4.35Å; L501-I552 HydrophobicContact CD2-CD1 3.96Å; L501-I552 HydrophobicContact CD2-CG1 4.08Å; L501-P572 HydrophobicContact CD2-CB 4.07Å; L501-P572 HydrophobicContact CD2-CG 3.88Å
502	H	89.9	Confident	96.5	Very high	51 Å²	51	20.3 Å²	20.3	24%	0.236	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	39.3	174.2	-56.4	161.3	0	0	0	114.4	Y302 E500 C504	Y302-H502 AromaticContact CD1-CD2 3.32Å; Y302-H502 WeakPolarHBondContact CD1-CD2 3.47Å; Y302-H502 AromaticContact CD1-NE2 3.76Å; Y302-H502 HydrophobicContact CD2-CB 3.64Å; Y302-H502 AromaticContact CD2-CD2 3.77Å; Y302-H502 AromaticContact CD2-CG 3.64Å; Y302-H502 AromaticContact CE1-CD2 3.58Å; Y302-H502 VanDerWaalsContact CE2-CA 3.5Å; Y302-H502 HydrophobicContact CE2-CB 3.52Å; Y302-H502 AromaticContact CE2-CG 3.93Å; Y302-H502 HydrophobicContact CG-CB 4.22Å; Y302-H502 AromaticContact CG-CD2 3.41Å; Y302-H502 VanDerWaalsContact CG-CD2 3.41Å; Y302-H502 AromaticContact CG-CG 3.71Å; Y302-H502 AromaticContact CG-NE2 3.8Å; Y302-H502 AromaticContact CZ-CD2 3.92Å; E500-H502 PolarHBondContact OE1-N 2.92Å; H502-C504 PolarHBondContact O-N 3.3Å
503	G	89.4	Confident	96.4	Very high	12 Å²	12	18.4 Å²	18.4	12%	0.124	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	8.9	-179	0	0	0	0	0	114.3	E500 L501 P525	E500-G503 PolarHBondContact OE1-N 2.85Å; L501-G503 VanDerWaalsContact C-N 3.31Å; L501-G503 PolarHBondContact O-N 3.23Å; G503-P525 WeakPolarHBondContact O-CD 3.5Å
504	C	93.5	Very high	96.2	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.054	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.8	175.6	-64.9	0	0	0	0	110.7	E500 L501 H502 Y506 R522 F523	E500-C504 WeakPolarHBondContact CA-O 3.42Å; L501-C504 PolarHBondContact N-O 2.88Å; L501-C504 PolarHBondContact O-N 2.86Å; H502-C504 PolarHBondContact O-N 3.3Å; C504-Y506 HydrophobicContact CB-CD2 4.4Å; C504-Y506 HydrophobicContact CB-CE2 3.93Å; C504-R522 HydrophobicContact CB-CG 3.76Å; C504-F523 WeakPolarHBondContact CA-O 3.49Å; C504-F523 WeakPolarHBondContact CB-O 3.28Å
505	L	97.1	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.8	173.5	-179.1	163.3	0	0	0	108.5	V452 L454 Y459 V461 V498 V507 R522 F523 W530	V452-L505 HydrophobicContact CG1-CD1 3.67Å; V452-L505 HydrophobicContact CG1-CG 3.82Å; L454-L505 HydrophobicContact CD2-CB 3.72Å; Y459-L505 HydrophobicContact CD1-CD1 4.08Å; Y459-L505 HydrophobicContact CD2-CD1 4.46Å; Y459-L505 HydrophobicContact CG-CD1 3.83Å; V461-L505 HydrophobicContact CG2-CD1 3.88Å; V461-L505 HydrophobicContact CG2-CD2 4.29Å; V498-L505 HydrophobicContact CG1-CD1 4.19Å; V498-L505 HydrophobicContact CG1-CD2 3.81Å; V498-L505 HydrophobicContact CG1-CG 3.78Å; L505-V507 HydrophobicContact CD2-CG2 3.32Å; L505-R522 CarbonylContact O-C 3.57Å; L505-R522 WeakPolarHBondContact O-CA 3.41Å; L505-F523 HydrophobicContact CB-CB 4.29Å; L505-F523 PolarHBondContact N-O 3.33Å; L505-F523 PolarHBondContact O-N 3.44Å; L505-W530 HydrophobicContact CD2-CH2 3.72Å; L505-W530 HydrophobicContact CD2-CZ3 4.22Å
506	Y	98.6	Very high	96.2	Very high	12 Å²	12	25.6 Å²	25.6	5%	0.047	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135	175.8	-74.5	-101.9	0	0	0	110.2	V498 S499 L501 C504 E521 R522 V533 I552 F570	V498-Y506 WeakPolarHBondContact CA-O 3.34Å; S499-Y506 PolarHBondContact N-O 3.46Å; S499-Y506 PolarHBondContact O-N 3.32Å; L501-Y506 HydrophobicContact CB-CD2 3.89Å; L501-Y506 HydrophobicContact CB-CE2 3.73Å; L501-Y506 HydrophobicContact CD2-CE2 4.1Å; L501-Y506 HydrophobicContact CG-CE2 4.23Å; C504-Y506 HydrophobicContact CB-CD2 4.4Å; C504-Y506 HydrophobicContact CB-CE2 3.93Å; Y506-E521 WeakPolarHBondContact CA-O 3.18Å; Y506-R522 HydrophobicContact CD1-CB 4.05Å; Y506-R522 HydrophobicContact CD1-CG 4.1Å; Y506-R522 HydrophobicContact CD2-CG 4.15Å; Y506-R522 HydrophobicContact CE1-CB 3.9Å; Y506-R522 HydrophobicContact CE1-CG 3.76Å; Y506-R522 HydrophobicContact CE2-CG 3.81Å; Y506-R522 HydrophobicContact CG-CG 4.3Å; Y506-R522 WeakPolarHBondContact OH-CD 3.45Å; Y506-V533 HydrophobicContact CD1-CG2 4.32Å; Y506-V533 HydrophobicContact CE1-CG1 4.38Å; Y506-V533 HydrophobicContact CE1-CG2 4.29Å; Y506-I552 VanDerWaalsContact CB-CD1 3.49Å; Y506-I552 HydrophobicContact CD1-CD1 3.9Å; Y506-I552 HydrophobicContact CD2-CD1 3.77Å; Y506-I552 HydrophobicContact CE2-CD1 4.41Å; Y506-I552 HydrophobicContact CG-CD1 3.45Å; Y506-I552 VanDerWaalsContact CG-CD1 3.45Å; Y506-F570 HydrophobicContact CD1-CE1 4.28Å; Y506-F570 HydrophobicContact CE1-CD1 4.31Å; Y506-F570 AromaticContact CE1-CE1 3.59Å; Y506-F570 HydrophobicContact CE1-CE1 3.59Å; Y506-F570 HydrophobicContact CE1-CZ 4.3Å
507	V	98.6	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.2	178.6	-164.6	0	0	0	0	109.5	V461 M489 R493 N496 G497 V498 L505 V520 E521 W530	V461-V507 HydrophobicContact CG1-CG1 4.22Å; V461-V507 HydrophobicContact CG1-CG2 3.69Å; M489-V507 HydrophobicContact SD-CB 4.26Å; M489-V507 HydrophobicContact SD-CG1 3.98Å; M489-V507 HydrophobicContact SD-CG2 4.01Å; R493-V507 VanDerWaalsContact CD-CG1 3.47Å; N496-V507 HydrophobicContact CB-CG1 3.96Å; N496-V507 WeakPolarHBondContact ND2-CG1 3.44Å; G497-V507 WeakPolarHBondContact O-CA 3.36Å; V498-V507 HydrophobicContact CG2-CG1 4.16Å; V498-V507 HydrophobicContact CG2-CG2 4.44Å; L505-V507 HydrophobicContact CD2-CG2 3.32Å; V507-V520 VanDerWaalsContact O-CA 3.3Å; V507-V520 WeakPolarHBondContact O-CA 3.19Å; V507-V520 WeakPolarHBondContact O-CG1 3.46Å; V507-E521 PolarHBondContact N-O 2.66Å; V507-E521 PolarHBondContact O-N 2.93Å; V507-W530 HydrophobicContact CG2-CH2 3.58Å; V507-W530 HydrophobicContact CG2-CZ3 3.62Å
508	V	98.6	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.9	-167	179.6	0	0	0	0	109.9	G497 V520 L536 V543 I545 I552 A554 W577	G497-V508 PolarHBondContact N-O 2.85Å; G497-V508 PolarHBondContact O-N 3.41Å; V508-V520 HydrophobicContact CG1-CG2 4.35Å; V508-V520 HydrophobicContact CG2-CG1 3.99Å; V508-L536 HydrophobicContact CG1-CD1 3.77Å; V508-L536 HydrophobicContact CG1-CD2 4Å; V508-L536 HydrophobicContact CG1-CG 4.1Å; V508-V543 WeakPolarHBondContact O-CG1 3.39Å; V508-I545 HydrophobicContact CB-CD1 3.97Å; V508-I545 HydrophobicContact CB-CG2 4.21Å; V508-I545 HydrophobicContact CG1-CG2 4.27Å; V508-I545 HydrophobicContact CG2-CD1 3.65Å; V508-I552 HydrophobicContact CG2-CG2 4.32Å; V508-A554 HydrophobicContact CG1-CB 4.33Å; V508-W577 HydrophobicContact CG1-CH2 3.81Å; V508-W577 HydrophobicContact CG1-CZ2 3.93Å; V508-W577 HydrophobicContact CG2-CH2 4.05Å; V508-W577 HydrophobicContact CG2-CZ2 4.07Å
509	G	98.4	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.			trans	59.7	-140.4	173.7	0	0	0	0	0	113.7	R493 N496 L517 S519	R493-G509 PolarHBondContact NH1-O 3.37Å; N496-G509 WeakPolarHBondContact CB-O 3.38Å; G509-L517 WeakPolarHBondContact CA-O 3.35Å; G509-S519 PolarHBondContact N-O 3.3Å
510	G	98	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.			trans	104.9	-162.2	-170.9	0	0	0	0	0	112.4	A494 P516 L517 R540	A494-G510 CarbonylContact O-C 3.56Å; A494-G510 VanDerWaalsContact O-CA 3.28Å; A494-G510 WeakPolarHBondContact O-CA 3.47Å; G510-P516 CarbonylContact O-C 3.55Å; G510-P516 VanDerWaalsContact O-CA 3.32Å; G510-P516 WeakPolarHBondContact O-CA 3.16Å; G510-L517 PolarHBondContact O-N 3.43Å; G510-R540 PolarHBondContact N-O 2.85Å
511	F	97.5	Very high	96.5	Very high	73 Å²	73	22.6 Å²	22.6	32%	0.32	13%	0.125	S	C	.	.	B	Isolated β-bridge	trans	-137.2	133.7	-179.3	-173.3	-104.5	0	0	0	109.1	S469 R493 A494 D513 S515 P516	S469-F511 PolarHBondContact OG-O 2.97Å; R493-F511 CarbonylContact C-O 3.58Å; R493-F511 WeakPolarHBondContact CA-O 3.43Å; A494-F511 PolarHBondContact N-O 3.18Å; A494-F511 PolarHBondContact O-N 3.13Å; F511-D513 VanDerWaalsContact CE1-C 3.41Å; F511-S515 WeakPolarHBondContact CD2-O 3.43Å; F511-P516 HydrophobicContact CD2-CG 3.95Å; F511-P516 HydrophobicContact CE2-CG 4.3Å
512	D	96.6	Very high	96.7	Very high	18 Å²	18	25.1 Å²	25.1	10%	0.096	13%	0.134	C	C	.	.			trans	-103.5	31.5	-175	73	-15	0	0	0	113.7	Q491 R492 N514 S515 L517	Q491-D512 PolarHBondContact NE2-OD2 2.69Å; R492-D512 HydrophobicContact CG-CB 4.19Å; R492-D512 PolarHBondContact NE-O 2.91Å; R492-D512 VanDerWaalsContact NE-O 3.09Å; R492-D512 PolarHBondContact NH2-O 2.77Å; R492-D512 WeakPolarHBondContact O-CB 3.32Å; D512-N514 PolarHBondContact O-N 3.03Å; D512-N514 VanDerWaalsContact O-N 3.09Å; D512-N514 WeakPolarHBondContact OD1-CB 3.28Å; D512-N514 PolarHBondContact OD1-N 3.28Å; D512-N514 VanDerWaalsContact OD1-N 3.13Å; D512-S515 PolarHBondContact N-O 2.96Å; D512-S515 PolarHBondContact OD1-N 3.45Å; D512-S515 VanDerWaalsContact OD1-O 3.09Å; D512-S515 PolarHBondContact OD1-OG 2.83Å; D512-L517 HydrophobicContact CB-CD1 4.26Å; D512-L517 HydrophobicContact CB-CD2 4.04Å; D512-L517 HydrophobicContact CB-CG 4.43Å
513	D	95.1	Very high	97	Very high	64 Å²	64	22.9 Å²	22.9	34%	0.342	12%	0.124	S	C	.	.	S	Bend	trans	69	-15.7	-169.1	-41.6	-56.1	0	0	0	115.2	N464 S469 R492 F511	N464-D513 PolarHBondContact ND2-OD1 3.08Å; S469-D513 VanDerWaalsContact CB-OD1 3.3Å; S469-D513 WeakPolarHBondContact CB-OD1 3.42Å; S469-D513 WeakPolarHBondContact CB-OD2 3.31Å; S469-D513 VanDerWaalsContact N-CG 3.31Å; S469-D513 PolarHBondContact N-OD1 2.88Å; S469-D513 PolarHBondContact N-OD2 2.84Å; S469-D513 VanDerWaalsContact OG-CG 3.28Å; S469-D513 PolarHBondContact OG-OD1 2.79Å; R492-D513 IonicContact NE-OD2 2.75Å; R492-D513 PolarHBondContact NE-OD2 2.63Å; F511-D513 VanDerWaalsContact CE1-C 3.41Å
514	N	94.4	Very high	97.2	Very high	129 Å²	129	23.3 Å²	23.3	69%	0.69	12%	0.123	S	C	*	.	S	Bend	trans	-111.8	-46.8	178.4	178.1	79.8	0	0	0	112.5	D512	D512-N514 PolarHBondContact O-N 3.03Å; D512-N514 VanDerWaalsContact O-N 3.09Å; D512-N514 WeakPolarHBondContact OD1-CB 3.28Å; D512-N514 PolarHBondContact OD1-N 3.28Å; D512-N514 VanDerWaalsContact OD1-N 3.13Å
515	S	96.3	Very high	97.1	Very high	41 Å²	41	24.6 Å²	24.6	29%	0.287	13%	0.132	S	C	.	.	S	Bend	trans	-148.9	150.2	-170.7	39.2	0	0	0	0	112.7	F511 D512	F511-S515 WeakPolarHBondContact CD2-O 3.43Å; D512-S515 PolarHBondContact N-O 2.96Å; D512-S515 PolarHBondContact OD1-N 3.45Å; D512-S515 VanDerWaalsContact OD1-O 3.09Å; D512-S515 PolarHBondContact OD1-OG 2.83Å
516	P	97.9	Very high	96.6	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.123	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-63.9	145.5	167.1	-23	37.4	0	0	0	110.9	G510 F511 P539	G510-P516 CarbonylContact O-C 3.55Å; G510-P516 VanDerWaalsContact O-CA 3.32Å; G510-P516 WeakPolarHBondContact O-CA 3.16Å; F511-P516 HydrophobicContact CD2-CG 3.95Å; F511-P516 HydrophobicContact CE2-CG 4.3Å; P516-P539 HydrophobicContact CB-CB 4.14Å; P516-P539 WeakPolarHBondContact O-CB 3Å
517	L	98.4	Very high	96.2	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	18%	0.177	C	C	.	.			trans	-102.8	140.3	-171.5	-57.5	-178	0	0	0	112.5	Q491 R493 G509 G510 D512 P539 R540	Q491-L517 HydrophobicContact CG-CD1 4.1Å; R493-L517 HydrophobicContact CB-CD1 3.86Å; G509-L517 WeakPolarHBondContact CA-O 3.35Å; G510-L517 PolarHBondContact O-N 3.43Å; D512-L517 HydrophobicContact CB-CD1 4.26Å; D512-L517 HydrophobicContact CB-CD2 4.04Å; D512-L517 HydrophobicContact CB-CG 4.43Å; L517-P539 WeakPolarHBondContact O-CA 3.41Å; L517-R540 PolarHBondContact O-N 2.79Å
518	S	98.2	Very high	95.8	Very high	28 Å²	28	38.3 Å²	38.3	20%	0.196	20%	0.199	C	C	.	.			trans	-88.9	-23.6	162.5	50.4	0	0	0	0	112.2	E535 L536	S518-E535 WeakPolarHBondContact CB-OE2 3.39Å; S518-E535 WeakPolarHBondContact O-CA 3.24Å; S518-E535 WeakPolarHBondContact O-CB 3.07Å; S518-E535 PolarHBondContact OG-OE2 2.82Å; S518-L536 PolarHBondContact O-N 2.97Å
519	S	98.4	Very high	95.7	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	23%	0.225	C	C	.	.			trans	-63.5	139.7	-171.1	70.5	0	0	0	0	113.1	Q491 R493 G509	Q491-S519 PolarHBondContact OE1-OG 2.77Å; R493-S519 PolarHBondContact NH1-O 2.95Å; R493-S519 PolarHBondContact NH1-OG 3.14Å; R493-S519 PolarHBondContact NH2-OG 3.24Å; G509-S519 PolarHBondContact N-O 3.3Å
520	V	98.7	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.7	179.1	-173.8	0	0	0	0	109	V507 V508 Y532 V533 L536 W577	V507-V520 VanDerWaalsContact O-CA 3.3Å; V507-V520 WeakPolarHBondContact O-CA 3.19Å; V507-V520 WeakPolarHBondContact O-CG1 3.46Å; V508-V520 HydrophobicContact CG1-CG2 4.35Å; V508-V520 HydrophobicContact CG2-CG1 3.99Å; V520-Y532 WeakPolarHBondContact O-CA 3.39Å; V520-V533 HydrophobicContact CB-CG2 3.7Å; V520-V533 HydrophobicContact CG1-CG2 3.39Å; V520-V533 PolarHBondContact O-N 3.42Å; V520-L536 HydrophobicContact CG2-CG 4.3Å; V520-W577 HydrophobicContact CG1-CZ2 4.39Å; V520-W577 HydrophobicContact CG2-CZ2 3.83Å
521	E	98.6	Very high	95.7	Very high	2 Å²	2	50 Å²	50	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.1	-178.4	-66.9	-175.4	-116.3	0	0	110.5	G490 Q491 R493 Y506 V507 W530 E531 Y532	G490-E521 PolarHBondContact N-OE2 2.94Å; Q491-E521 PolarHBondContact N-OE1 2.62Å; Q491-E521 VanDerWaalsContact N-OE1 3.08Å; R493-E521 IonicContact CZ-OE1 3.8Å; R493-E521 IonicContact NE-OE1 3.26Å; R493-E521 IonicContact NH2-OE1 3.62Å; R493-E521 PolarHBondContact NH2-OE1 3.01Å; Y506-E521 WeakPolarHBondContact CA-O 3.18Å; V507-E521 PolarHBondContact N-O 2.66Å; V507-E521 PolarHBondContact O-N 2.93Å; E521-W530 HydrophobicContact CB-CE3 3.73Å; E521-W530 HydrophobicContact CB-CZ3 3.91Å; E521-E531 CarbonylContact C-O 3.54Å; E521-E531 WeakPolarHBondContact CA-O 3.5Å; E521-Y532 HydrophobicContact CG-CD1 3.61Å; E521-Y532 HydrophobicContact CG-CE1 3.47Å; E521-Y532 VanDerWaalsContact CG-CE1 3.47Å; E521-Y532 HydrophobicContact CG-CG 4.44Å
522	R	98.3	Very high	95.8	Very high	56 Å²	56	52.8 Å²	52.8	21%	0.211	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.4	173.7	-170.9	-174.7	87.2	-133.6	1.5	110.2	C504 L505 Y506 W530 E531 V533	C504-R522 HydrophobicContact CB-CG 3.76Å; L505-R522 CarbonylContact O-C 3.57Å; L505-R522 WeakPolarHBondContact O-CA 3.41Å; Y506-R522 HydrophobicContact CD1-CB 4.05Å; Y506-R522 HydrophobicContact CD1-CG 4.1Å; Y506-R522 HydrophobicContact CD2-CG 4.15Å; Y506-R522 HydrophobicContact CE1-CB 3.9Å; Y506-R522 HydrophobicContact CE1-CG 3.76Å; Y506-R522 HydrophobicContact CE2-CG 3.81Å; Y506-R522 HydrophobicContact CG-CG 4.3Å; Y506-R522 WeakPolarHBondContact OH-CD 3.45Å; R522-W530 CarbonylContact O-C 3.47Å; R522-W530 VanDerWaalsContact O-CA 3.29Å; R522-W530 WeakPolarHBondContact O-CA 3.4Å; R522-E531 HydrophobicContact CB-CG 4.16Å; R522-E531 IonicContact CZ-OE1 3.06Å; R522-E531 IonicContact CZ-OE2 3.96Å; R522-E531 PolarHBondContact N-O 2.8Å; R522-E531 IonicContact NE-OE1 3.47Å; R522-E531 IonicContact NH1-OE1 2.69Å; R522-E531 PolarHBondContact NH1-OE1 2.94Å; R522-E531 IonicContact NH1-OE2 2.75Å; R522-E531 IonicContact NH2-OE1 3.18Å; R522-E531 PolarHBondContact NH2-OE1 2.97Å; R522-E531 IonicContact NH2-OE2 3.34Å; R522-E531 PolarHBondContact NH2-OE2 2.9Å; R522-E531 PolarHBondContact O-N 3.41Å; R522-V533 HydrophobicContact CB-CG1 3.88Å
523	F	97.6	Very high	95.9	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.3	169.5	-178.5	-111.9	0	0	0	111.2	Y459 V486 C504 L505 P525 N528 K529 W530	Y459-F523 HydrophobicContact CE1-CE1 4.14Å; V486-F523 HydrophobicContact CG1-CE1 4.02Å; V486-F523 HydrophobicContact CG1-CE2 4.21Å; V486-F523 HydrophobicContact CG1-CZ 3.56Å; C504-F523 WeakPolarHBondContact CA-O 3.49Å; C504-F523 WeakPolarHBondContact CB-O 3.28Å; L505-F523 HydrophobicContact CB-CB 4.29Å; L505-F523 PolarHBondContact N-O 3.33Å; L505-F523 PolarHBondContact O-N 3.44Å; F523-P525 HydrophobicContact CD1-CB 4.41Å; F523-P525 HydrophobicContact CE1-CB 3.89Å; F523-N528 WeakPolarHBondContact CE2-OD1 3.37Å; F523-N528 WeakPolarHBondContact CZ-OD1 3.26Å; F523-K529 WeakPolarHBondContact CA-O 3.4Å; F523-K529 WeakPolarHBondContact CD2-O 3.46Å; F523-W530 HydrophobicContact CB-CD2 3.74Å; F523-W530 HydrophobicContact CB-CE3 3.64Å; F523-W530 HydrophobicContact CB-CH2 3.63Å; F523-W530 HydrophobicContact CB-CZ2 3.68Å; F523-W530 HydrophobicContact CB-CZ3 3.61Å; F523-W530 AromaticContact CD2-CD1 3.8Å; F523-W530 AromaticContact CD2-CD2 3.89Å; F523-W530 HydrophobicContact CD2-CD2 3.89Å; F523-W530 AromaticContact CD2-CE2 3.57Å; F523-W530 HydrophobicContact CD2-CG 4.02Å; F523-W530 HydrophobicContact CD2-CZ2 4.09Å; F523-W530 AromaticContact CD2-NE1 3.49Å; F523-W530 AromaticContact CE2-NE1 3.98Å; F523-W530 HydrophobicContact CG-CD2 4.23Å; F523-W530 AromaticContact CG-CE2 3.89Å; F523-W530 HydrophobicContact CG-CH2 4.4Å; F523-W530 AromaticContact CG-CZ2 3.97Å; F523-W530 HydrophobicContact CG-CZ2 3.97Å
524	D	93.3	Very high	96	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.8	167.3	-174.7	-25.3	0	0	0	109.7	R526 S527 N528 K529	D524-R526 PolarHBondContact O-N 3.01Å; D524-R526 WeakPolarHBondContact OD1-CA 3.5Å; D524-R526 WeakPolarHBondContact OD1-CB 3.5Å; D524-R526 WeakPolarHBondContact OD1-CG 3.44Å; D524-R526 IonicContact OD1-CZ 3.63Å; D524-R526 PolarHBondContact OD1-N 2.93Å; D524-R526 IonicContact OD1-NE 3.51Å; D524-R526 PolarHBondContact OD1-NE 2.9Å; D524-R526 IonicContact OD1-NH2 2.72Å; D524-R526 IonicContact OD2-CZ 3.67Å; D524-R526 IonicContact OD2-NE 2.84Å; D524-R526 PolarHBondContact OD2-NE 3.08Å; D524-R526 IonicContact OD2-NH2 3.22Å; D524-R526 PolarHBondContact OD2-NH2 3.49Å; D524-S527 PolarHBondContact O-N 2.78Å; D524-N528 WeakPolarHBondContact O-CA 3.38Å; D524-N528 PolarHBondContact O-N 2.78Å; D524-K529 PolarHBondContact N-O 3.01Å
525	P	90.6	Very high	96.2	Very high	35 Å²	35	49.9 Å²	49.9	23%	0.227	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.1	-178.3	30.5	-37.6	0	0	0	113.4	L454 G503 F523	L454-P525 HydrophobicContact CD2-CG 4Å; L454-P525 HydrophobicContact CG-CG 4.42Å; G503-P525 WeakPolarHBondContact O-CD 3.5Å; F523-P525 HydrophobicContact CD1-CB 4.41Å; F523-P525 HydrophobicContact CE1-CB 3.89Å
526	R	86.6	Confident	96.3	Very high	158 Å²	158	48.3 Å²	48.3	60%	0.596	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-35.4	179.7	-53.5	166.9	-67.1	-171	0.5	111.4	D524	D524-R526 PolarHBondContact O-N 3.01Å; D524-R526 WeakPolarHBondContact OD1-CA 3.5Å; D524-R526 WeakPolarHBondContact OD1-CB 3.5Å; D524-R526 WeakPolarHBondContact OD1-CG 3.44Å; D524-R526 IonicContact OD1-CZ 3.63Å; D524-R526 PolarHBondContact OD1-N 2.93Å; D524-R526 IonicContact OD1-NE 3.51Å; D524-R526 PolarHBondContact OD1-NE 2.9Å; D524-R526 IonicContact OD1-NH2 2.72Å; D524-R526 IonicContact OD2-CZ 3.67Å; D524-R526 IonicContact OD2-NE 2.84Å; D524-R526 PolarHBondContact OD2-NE 3.08Å; D524-R526 IonicContact OD2-NH2 3.22Å; D524-R526 PolarHBondContact OD2-NH2 3.49Å
527	S	90	Very high	96.2	Very high	59 Å²	59	52 Å²	52	41%	0.413	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-10.9	178.6	73.2	0	0	0	0	113.9	D524 K529	D524-S527 PolarHBondContact O-N 2.78Å; S527-K529 VanDerWaalsContact C-N 3.33Å; S527-K529 PolarHBondContact O-N 2.82Å
528	N	91.5	Very high	96.1	Very high	83 Å²	83	53.3 Å²	53.3	44%	0.444	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	48.6	-174.3	-167.2	24.2	0	0	0	112.1	K487 F523 D524	K487-N528 WeakPolarHBondContact CB-OD1 3.36Å; K487-N528 WeakPolarHBondContact CD-O 3.37Å; K487-N528 PolarHBondContact NZ-O 3.12Å; F523-N528 WeakPolarHBondContact CE2-OD1 3.37Å; F523-N528 WeakPolarHBondContact CZ-OD1 3.26Å; D524-N528 WeakPolarHBondContact O-CA 3.38Å; D524-N528 PolarHBondContact O-N 2.78Å
529	K	96.1	Very high	96.1	Very high	127 Å²	127	54.2 Å²	54.2	55%	0.552	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.9	-179.1	-69.2	178.6	-176.9	179.2	0	111.4	F523 D524 S527	F523-K529 WeakPolarHBondContact CA-O 3.4Å; F523-K529 WeakPolarHBondContact CD2-O 3.46Å; D524-K529 PolarHBondContact N-O 3.01Å; S527-K529 VanDerWaalsContact C-N 3.33Å; S527-K529 PolarHBondContact O-N 2.82Å
530	W	98.3	Very high	96	Very high	35 Å²	35	53.9 Å²	53.9	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.6	163.5	-71.1	100.1	0	0	0	109.4	V461 V473 K487 E488 M489 L505 V507 E521 R522 F523	V461-W530 HydrophobicContact CG1-CH2 4.47Å; V473-W530 HydrophobicContact CG2-CZ2 3.98Å; K487-W530 PolarHBondContact O-NE1 2.7Å; E488-W530 PolarHBondContact O-NE1 3.22Å; M489-W530 HydrophobicContact CG-CD2 4.26Å; M489-W530 HydrophobicContact CG-CE3 4.29Å; M489-W530 HydrophobicContact CG-CH2 3.62Å; M489-W530 HydrophobicContact CG-CZ2 3.62Å; M489-W530 HydrophobicContact CG-CZ3 3.98Å; M489-W530 HydrophobicContact SD-CH2 4.23Å; L505-W530 HydrophobicContact CD2-CH2 3.72Å; L505-W530 HydrophobicContact CD2-CZ3 4.22Å; V507-W530 HydrophobicContact CG2-CH2 3.58Å; V507-W530 HydrophobicContact CG2-CZ3 3.62Å; E521-W530 HydrophobicContact CB-CE3 3.73Å; E521-W530 HydrophobicContact CB-CZ3 3.91Å; R522-W530 CarbonylContact O-C 3.47Å; R522-W530 VanDerWaalsContact O-CA 3.29Å; R522-W530 WeakPolarHBondContact O-CA 3.4Å; F523-W530 HydrophobicContact CB-CD2 3.74Å; F523-W530 HydrophobicContact CB-CE3 3.64Å; F523-W530 HydrophobicContact CB-CH2 3.63Å; F523-W530 HydrophobicContact CB-CZ2 3.68Å; F523-W530 HydrophobicContact CB-CZ3 3.61Å; F523-W530 AromaticContact CD2-CD1 3.8Å; F523-W530 AromaticContact CD2-CD2 3.89Å; F523-W530 HydrophobicContact CD2-CD2 3.89Å; F523-W530 AromaticContact CD2-CE2 3.57Å; F523-W530 HydrophobicContact CD2-CG 4.02Å; F523-W530 HydrophobicContact CD2-CZ2 4.09Å; F523-W530 AromaticContact CD2-NE1 3.49Å; F523-W530 AromaticContact CE2-NE1 3.98Å; F523-W530 HydrophobicContact CG-CD2 4.23Å; F523-W530 AromaticContact CG-CE2 3.89Å; F523-W530 HydrophobicContact CG-CH2 4.4Å; F523-W530 AromaticContact CG-CZ2 3.97Å; F523-W530 HydrophobicContact CG-CZ2 3.97Å
531	E	98.1	Very high	95.9	Very high	85 Å²	85	53.9 Å²	53.9	40%	0.397	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.2	168.4	60.7	-178.9	-118.8	0	0	110.2	E521 R522	E521-E531 CarbonylContact C-O 3.54Å; E521-E531 WeakPolarHBondContact CA-O 3.5Å; R522-E531 HydrophobicContact CB-CG 4.16Å; R522-E531 IonicContact CZ-OE1 3.06Å; R522-E531 IonicContact CZ-OE2 3.96Å; R522-E531 PolarHBondContact N-O 2.8Å; R522-E531 IonicContact NE-OE1 3.47Å; R522-E531 IonicContact NH1-OE1 2.69Å; R522-E531 PolarHBondContact NH1-OE1 2.94Å; R522-E531 IonicContact NH1-OE2 2.75Å; R522-E531 IonicContact NH2-OE1 3.18Å; R522-E531 PolarHBondContact NH2-OE1 2.97Å; R522-E531 IonicContact NH2-OE2 3.34Å; R522-E531 PolarHBondContact NH2-OE2 2.9Å; R522-E531 PolarHBondContact O-N 3.41Å
532	Y	98.4	Very high	95.8	Very high	130 Å²	130	54.6 Å²	54.6	51%	0.51	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.8	169.7	-69.9	-79.3	0	0	0	109.6	V520 E521	V520-Y532 WeakPolarHBondContact O-CA 3.39Å; E521-Y532 HydrophobicContact CG-CD1 3.61Å; E521-Y532 HydrophobicContact CG-CE1 3.47Å; E521-Y532 VanDerWaalsContact CG-CE1 3.47Å; E521-Y532 HydrophobicContact CG-CG 4.44Å
533	V	98.4	Very high	95.7	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.085	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-177.9	169.5	-59.3	0	0	0	0	109	Y506 V520 R522 E535 F570	Y506-V533 HydrophobicContact CD1-CG2 4.32Å; Y506-V533 HydrophobicContact CE1-CG1 4.38Å; Y506-V533 HydrophobicContact CE1-CG2 4.29Å; V520-V533 HydrophobicContact CB-CG2 3.7Å; V520-V533 HydrophobicContact CG1-CG2 3.39Å; V520-V533 PolarHBondContact O-N 3.42Å; R522-V533 HydrophobicContact CB-CG1 3.88Å; V533-E535 PolarHBondContact O-N 2.94Å; V533-F570 HydrophobicContact CB-CE2 4.49Å; V533-F570 HydrophobicContact CB-CZ 4.1Å; V533-F570 HydrophobicContact CG2-CE2 4.35Å; V533-F570 HydrophobicContact CG2-CZ 4.05Å
534	A	98.3	Very high	95.7	Very high	26 Å²	26	52.6 Å²	52.6	22%	0.215	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-57.9	138.6	-177.9	0	0	0	0	0	112.3	F570 N575 W577	A534-F570 HydrophobicContact CB-CE2 4.25Å; A534-N575 WeakPolarHBondContact CB-O 3.26Å; A534-N575 WeakPolarHBondContact CB-OD1 3.31Å; A534-N575 PolarHBondContact N-OD1 3.29Å; A534-W577 VanDerWaalsContact O-CD1 3.28Å; A534-W577 PolarHBondContact O-NE1 3.07Å
535	E	98.4	Very high	95.9	Very high	111 Å²	111	52.2 Å²	52.2	52%	0.519	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-77.9	153.2	-179	-56.2	-164.4	-179.5	0	0	112.2	S518 V533 W577	S518-E535 WeakPolarHBondContact CB-OE2 3.39Å; S518-E535 WeakPolarHBondContact O-CA 3.24Å; S518-E535 WeakPolarHBondContact O-CB 3.07Å; S518-E535 PolarHBondContact OG-OE2 2.82Å; V533-E535 PolarHBondContact O-N 2.94Å; E535-W577 VanDerWaalsContact C-CD1 3.41Å
536	L	98.2	Very high	96.3	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-57.5	143	168.1	-66.4	160.9	0	0	0	110.4	V508 S518 V520 T538 R540 A554 W577	V508-L536 HydrophobicContact CG1-CD1 3.77Å; V508-L536 HydrophobicContact CG1-CD2 4Å; V508-L536 HydrophobicContact CG1-CG 4.1Å; S518-L536 PolarHBondContact O-N 2.97Å; V520-L536 HydrophobicContact CG2-CG 4.3Å; L536-T538 VanDerWaalsContact CB-O 3.26Å; L536-T538 WeakPolarHBondContact CB-O 3.43Å; L536-T538 PolarHBondContact O-N 2.93Å; L536-R540 HydrophobicContact CD1-CB 4.11Å; L536-R540 HydrophobicContact CD1-CG 3.98Å; L536-A554 HydrophobicContact CD2-CB 3.92Å; L536-W577 HydrophobicContact CD2-CD2 3.74Å; L536-W577 HydrophobicContact CD2-CE3 3.74Å; L536-W577 HydrophobicContact CD2-CG 4.48Å; L536-W577 HydrophobicContact CD2-CH2 3.76Å; L536-W577 HydrophobicContact CD2-CZ2 3.75Å; L536-W577 HydrophobicContact CD2-CZ3 3.76Å; L536-W577 HydrophobicContact CG-CZ2 4.3Å
537	T	96.4	Very high	96.8	Very high	96 Å²	96	45.3 Å²	45.3	59%	0.589	24%	0.243	S	C	*	.	S	Bend	trans	-67.4	-23.2	175.5	65.5	0	0	0	0	112.6	E568	T537-E568 WeakPolarHBondContact CB-OE2 3.28Å; T537-E568 WeakPolarHBondContact CG2-OE2 3.34Å; T537-E568 PolarHBondContact N-OE2 3.35Å; T537-E568 PolarHBondContact OG1-OE2 2.81Å
538	T	95.6	Very high	97	Very high	37 Å²	37	42.6 Å²	42.6	23%	0.227	22%	0.224	C	C	.	.	S	Bend	trans	-130.4	133.9	173.1	-58.1	0	0	0	0	109.1	L536 R540 N559 L564	L536-T538 VanDerWaalsContact CB-O 3.26Å; L536-T538 WeakPolarHBondContact CB-O 3.43Å; L536-T538 PolarHBondContact O-N 2.93Å; T538-R540 WeakPolarHBondContact O-CG 3.32Å; T538-N559 HydrophobicContact CG2-CB 3.78Å; T538-L564 HydrophobicContact CG2-CD1 3.85Å; T538-L564 HydrophobicContact CG2-CD2 4.18Å
539	P	97.8	Very high	97.1	Very high	46 Å²	46	40.7 Å²	40.7	30%	0.299	21%	0.213	S	C	.	.			trans	-61.4	141	173.8	-23.4	33.6	0	0	0	112.9	P516 L517 N559	P516-P539 HydrophobicContact CB-CB 4.14Å; P516-P539 WeakPolarHBondContact O-CB 3Å; L517-P539 WeakPolarHBondContact O-CA 3.41Å; P539-N559 VanDerWaalsContact O-CA 3.26Å; P539-N559 WeakPolarHBondContact O-CA 3.28Å; P539-N559 VanDerWaalsContact O-CB 3.31Å; P539-N559 WeakPolarHBondContact O-CB 3.41Å
540	R	97.9	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.			trans	-137.3	105.5	-175.1	-54.6	179.2	176.7	-100.5	-1.3	113.1	G510 L517 L536 T538 V543 G556 H558 L564 T566 E568	G510-R540 PolarHBondContact N-O 2.85Å; L517-R540 PolarHBondContact O-N 2.79Å; L536-R540 HydrophobicContact CD1-CB 4.11Å; L536-R540 HydrophobicContact CD1-CG 3.98Å; T538-R540 WeakPolarHBondContact O-CG 3.32Å; R540-V543 HydrophobicContact CB-CB 3.77Å; R540-V543 HydrophobicContact CB-CG1 4.42Å; R540-V543 HydrophobicContact CB-CG2 3.94Å; R540-V543 HydrophobicContact CG-CG2 4.46Å; R540-G556 WeakPolarHBondContact CD-O 3.3Å; R540-G556 PolarHBondContact NH1-O 2.83Å; R540-H558 WeakPolarHBondContact CA-O 3.5Å; R540-L564 HydrophobicContact CG-CD1 3.8Å; R540-T566 PolarHBondContact NH1-O 3.25Å; R540-T566 PolarHBondContact NH2-O 2.86Å; R540-T566 PolarHBondContact NH2-OG1 2.82Å; R540-E568 IonicContact CZ-OE1 2.96Å; R540-E568 IonicContact NE-OE1 3.41Å; R540-E568 PolarHBondContact NE-OE1 2.89Å; R540-E568 IonicContact NH2-OE1 2.66Å; R540-E568 PolarHBondContact NH2-OE1 3.37Å
541	G	96.4	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-88.4	142.7	164.5	0	0	0	0	0	111.4	V543 G557 H558	G541-V543 VanDerWaalsContact C-N 3.29Å; G541-V543 PolarHBondContact O-N 3.43Å; G541-G557 CarbonylContact O-C 3.42Å; G541-G557 WeakPolarHBondContact O-CA 3.47Å; G541-H558 PolarHBondContact N-O 2.9Å; G541-H558 PolarHBondContact O-CD2 2.97Å; G541-H558 PolarHBondContact O-N 2.87Å
542	G	95.3	Very high	96.8	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	18%	0.182	C	C	.	.	S	Bend	trans	62	36.9	-178.6	0	0	0	0	0	113.2	G495 G589	G495-G542 VanDerWaalsContact O-CA 3.23Å; G495-G542 WeakPolarHBondContact O-CA 3.45Å; G495-G542 PolarHBondContact O-N 2.84Å; G542-G589 PolarHBondContact O-N 2.99Å
543	V	97.5	Very high	96.8	Very high	11 Å²	11	26.8 Å²	26.8	7%	0.067	16%	0.159	C	C	.	.			trans	-79.6	136.1	-176.3	64.4	0	0	0	0	111.2	G495 V508 R540 G541 I545 A554	G495-V543 PolarHBondContact O-N 2.88Å; V508-V543 WeakPolarHBondContact O-CG1 3.39Å; R540-V543 HydrophobicContact CB-CB 3.77Å; R540-V543 HydrophobicContact CB-CG1 4.42Å; R540-V543 HydrophobicContact CB-CG2 3.94Å; R540-V543 HydrophobicContact CG-CG2 4.46Å; G541-V543 VanDerWaalsContact C-N 3.29Å; G541-V543 PolarHBondContact O-N 3.43Å; V543-I545 HydrophobicContact CG1-CG2 4.15Å; V543-I545 HydrophobicContact CG2-CG2 3.96Å; V543-A554 HydrophobicContact CG2-CB 4.05Å
544	G	97.4	Very high	96.8	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132	169.8	0	0	0	0	0	109.9	V555	G544-V555 PolarHBondContact N-O 3.16Å; G544-V555 PolarHBondContact O-N 3.17Å
545	I	97.8	Very high	96.8	Very high	14 Å²	14	25 Å²	25	7%	0.072	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152	179.1	80.3	172.2	0	0	0	113.2	V508 V543 I552 F553 A554	V508-I545 HydrophobicContact CB-CD1 3.97Å; V508-I545 HydrophobicContact CB-CG2 4.21Å; V508-I545 HydrophobicContact CG1-CG2 4.27Å; V508-I545 HydrophobicContact CG2-CD1 3.65Å; V543-I545 HydrophobicContact CG1-CG2 4.15Å; V543-I545 HydrophobicContact CG2-CG2 3.96Å; I545-I552 HydrophobicContact CB-CG2 4.29Å; I545-I552 HydrophobicContact CD1-CG2 4.02Å; I545-F553 WeakPolarHBondContact CA-O 3.48Å; I545-F553 WeakPolarHBondContact CB-O 3.43Å; I545-A554 HydrophobicContact CG2-CB 4.16Å
546	A	97.4	Very high	96.8	Very high	7 Å²	7	19.7 Å²	19.7	6%	0.058	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	154.4	167.6	0	0	0	0	0	111.9	L316 F553 V592 V594	L316-A546 HydrophobicContact CD1-CB 4.33Å; A546-F553 PolarHBondContact N-O 2.79Å; A546-F553 PolarHBondContact O-N 3.33Å; A546-V592 HydrophobicContact CB-CG1 3.87Å; A546-V594 HydrophobicContact CB-CG2 4Å
547	T	96.7	Very high	96.7	Very high	40 Å²	40	19.3 Å²	19.3	25%	0.245	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.4	174.4	-62.3	0	0	0	0	111.4	S499 E500 L501 K551 V594	S499-T547 PolarHBondContact OG-N 3.06Å; S499-T547 PolarHBondContact OG-OG1 3.05Å; E500-T547 WeakPolarHBondContact O-CB 3.32Å; E500-T547 PolarHBondContact O-OG1 3.38Å; L501-T547 HydrophobicContact CD1-CG2 3.71Å; T547-K551 CarbonylContact C-O 3.57Å; T547-K551 WeakPolarHBondContact CA-O 3.47Å; T547-V594 WeakPolarHBondContact O-CG2 3.35Å
548	L	95.4	Very high	96.7	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.3	175.8	-178.8	66.1	0	0	0	109.6	A313 L316 Y335 I337 G550 K551 F553 V594	A313-L548 HydrophobicContact CB-CD1 3.97Å; A313-L548 WeakPolarHBondContact O-CD1 3.42Å; L316-L548 HydrophobicContact CB-CD2 4.24Å; Y335-L548 HydrophobicContact CD1-CD2 4.11Å; Y335-L548 HydrophobicContact CE1-CD2 4.23Å; I337-L548 HydrophobicContact CB-CD2 4.15Å; I337-L548 HydrophobicContact CD1-CD2 3.79Å; I337-L548 HydrophobicContact CD1-CG 4.08Å; I337-L548 HydrophobicContact CG2-CD2 4.44Å; L548-G550 VanDerWaalsContact C-N 3.28Å; L548-G550 PolarHBondContact O-N 2.79Å; L548-K551 PolarHBondContact N-O 2.79Å; L548-K551 PolarHBondContact O-N 3.32Å; L548-K551 VanDerWaalsContact O-O 3.12Å; L548-F553 HydrophobicContact CB-CD2 3.88Å; L548-F553 HydrophobicContact CB-CE2 3.74Å; L548-F553 HydrophobicContact CD2-CE2 4.23Å; L548-F553 HydrophobicContact CD2-CZ 4.33Å; L548-F553 HydrophobicContact CG-CE2 4.34Å; L548-V594 HydrophobicContact CB-CG2 3.94Å; L548-V594 HydrophobicContact CD1-CG1 3.82Å; L548-V594 HydrophobicContact CD1-CG2 4.09Å; L548-V594 HydrophobicContact CG-CG2 4.5Å
549	M	92.6	Very high	96.7	Very high	43 Å²	43	17.6 Å²	17.6	21%	0.212	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	42.8	-179.9	-65.8	-169.1	59	0	0	114.8	T307 P308 K310 A313 I337 K551	T307-M549 HydrophobicContact CG2-CB 4.22Å; P308-M549 WeakPolarHBondContact O-CE 3.47Å; K310-M549 HydrophobicContact CB-SD 4.33Å; K310-M549 HydrophobicContact CG-CE 3.97Å; K310-M549 HydrophobicContact CG-SD 3.9Å; A313-M549 HydrophobicContact CB-CG 3.38Å; A313-M549 HydrophobicContact CB-SD 3.77Å; I337-M549 HydrophobicContact CD1-CB 4.27Å; I337-M549 HydrophobicContact CD1-CG 3.98Å; I337-M549 HydrophobicContact CD1-SD 3.49Å; I337-M549 WeakPolarHBondContact CD1-SD 3.25Å; I337-M549 HydrophobicContact CG1-SD 3.93Å; I337-M549 HydrophobicContact CG2-SD 4Å; M549-K551 PolarHBondContact O-N 2.84Å
550	G	92.9	Very high	96.5	Very high	17 Å²	17	17.8 Å²	17.8	18%	0.175	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	8.7	178.9	0	0	0	0	0	115.1	L501 L548 P572	L501-G550 WeakPolarHBondContact CD1-O 3.45Å; L548-G550 VanDerWaalsContact C-N 3.28Å; L548-G550 PolarHBondContact O-N 2.79Å; G550-P572 WeakPolarHBondContact O-CD 3.22Å
551	K	96.2	Very high	96.2	Very high	58 Å²	58	25.5 Å²	25.5	25%	0.252	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.2	176.4	-61.9	-164.5	178.3	-153.6	0	111	T547 L548 M549 F553 F570 D571	T547-K551 CarbonylContact C-O 3.57Å; T547-K551 WeakPolarHBondContact CA-O 3.47Å; L548-K551 PolarHBondContact N-O 2.79Å; L548-K551 PolarHBondContact O-N 3.32Å; L548-K551 VanDerWaalsContact O-O 3.12Å; M549-K551 PolarHBondContact O-N 2.84Å; K551-F553 HydrophobicContact CB-CD2 4.5Å; K551-F553 HydrophobicContact CB-CE2 4.04Å; K551-F570 VanDerWaalsContact CA-O 3.24Å; K551-F570 WeakPolarHBondContact CA-O 3.37Å; K551-F570 VanDerWaalsContact CB-O 3.22Å; K551-F570 WeakPolarHBondContact CB-O 3.15Å; K551-D571 HydrophobicContact CD-CB 4.29Å; K551-D571 WeakPolarHBondContact CE-OD2 3.18Å; K551-D571 IonicContact NZ-OD2 2.73Å; K551-D571 PolarHBondContact NZ-OD2 2.94Å
552	I	98.4	Very high	96.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.1	173.7	-66.1	159.6	0	0	0	108.6	L501 Y506 V508 I545 A569 F570 W577	L501-I552 HydrophobicContact CB-CD1 4.13Å; L501-I552 HydrophobicContact CB-CG1 4.35Å; L501-I552 HydrophobicContact CD2-CD1 3.96Å; L501-I552 HydrophobicContact CD2-CG1 4.08Å; Y506-I552 VanDerWaalsContact CB-CD1 3.49Å; Y506-I552 HydrophobicContact CD1-CD1 3.9Å; Y506-I552 HydrophobicContact CD2-CD1 3.77Å; Y506-I552 HydrophobicContact CE2-CD1 4.41Å; Y506-I552 HydrophobicContact CG-CD1 3.45Å; Y506-I552 VanDerWaalsContact CG-CD1 3.45Å; V508-I552 HydrophobicContact CG2-CG2 4.32Å; I545-I552 HydrophobicContact CB-CG2 4.29Å; I545-I552 HydrophobicContact CD1-CG2 4.02Å; I552-A569 CarbonylContact O-C 3.55Å; I552-A569 WeakPolarHBondContact O-CA 3.44Å; I552-F570 HydrophobicContact CB-CB 4.25Å; I552-F570 HydrophobicContact CD1-CD1 4.41Å; I552-F570 PolarHBondContact N-O 2.9Å; I552-F570 PolarHBondContact O-N 2.83Å; I552-W577 HydrophobicContact CG2-CH2 4.19Å; I552-W577 WeakPolarHBondContact O-CZ3 3.42Å
553	F	98.4	Very high	96.1	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.3	176	-74.4	-110.4	0	0	0	109.5	L316 Y335 I337 I545 A546 L548 K551 V567 E568 A569 V580	L316-F553 HydrophobicContact CD1-CB 3.63Å; L316-F553 HydrophobicContact CD1-CD1 4.36Å; L316-F553 HydrophobicContact CD1-CD2 4.39Å; L316-F553 HydrophobicContact CD1-CG 3.89Å; Y335-F553 HydrophobicContact CD1-CE1 4.44Å; Y335-F553 AromaticContact CE1-CE1 3.9Å; Y335-F553 HydrophobicContact CE1-CE1 3.9Å; Y335-F553 HydrophobicContact CE1-CZ 4.26Å; I337-F553 HydrophobicContact CD1-CZ 4.37Å; I545-F553 WeakPolarHBondContact CA-O 3.48Å; I545-F553 WeakPolarHBondContact CB-O 3.43Å; A546-F553 PolarHBondContact N-O 2.79Å; A546-F553 PolarHBondContact O-N 3.33Å; L548-F553 HydrophobicContact CB-CD2 3.88Å; L548-F553 HydrophobicContact CB-CE2 3.74Å; L548-F553 HydrophobicContact CD2-CE2 4.23Å; L548-F553 HydrophobicContact CD2-CZ 4.33Å; L548-F553 HydrophobicContact CG-CE2 4.34Å; K551-F553 HydrophobicContact CB-CD2 4.5Å; K551-F553 HydrophobicContact CB-CE2 4.04Å; F553-V567 HydrophobicContact CD1-CG1 4.09Å; F553-E568 CarbonylContact C-O 3.58Å; F553-E568 WeakPolarHBondContact CA-O 3.34Å; F553-A569 HydrophobicContact CD1-CB 4.23Å; F553-A569 HydrophobicContact CD2-CB 4.48Å; F553-A569 HydrophobicContact CE1-CB 4.13Å; F553-A569 HydrophobicContact CE2-CB 4.35Å; F553-A569 HydrophobicContact CG-CB 4.41Å; F553-A569 HydrophobicContact CZ-CB 4.18Å; F553-V580 HydrophobicContact CD1-CG2 4.02Å; F553-V580 HydrophobicContact CE1-CG2 3.85Å
554	A	98.4	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114	173.7	0	0	0	0	0	110.1	V508 L536 V543 I545 V567 E568 W577	V508-A554 HydrophobicContact CG1-CB 4.33Å; L536-A554 HydrophobicContact CD2-CB 3.92Å; V543-A554 HydrophobicContact CG2-CB 4.05Å; I545-A554 HydrophobicContact CG2-CB 4.16Å; A554-V567 WeakPolarHBondContact O-CA 3.14Å; A554-E568 PolarHBondContact N-O 3.02Å; A554-E568 PolarHBondContact O-N 3.48Å; A554-W577 HydrophobicContact CB-CH2 3.93Å; A554-W577 HydrophobicContact CB-CZ3 3.61Å
555	V	98.3	Very high	96	Very high	2 Å²	2	33 Å²	33	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.7	-171.7	-177.6	0	0	0	0	109.8	L316 C318 W342 G544 V567 V583 V592	L316-V555 HydrophobicContact CD2-CG2 4.24Å; C318-V555 HydrophobicContact CB-CG1 4.18Å; W342-V555 HydrophobicContact CH2-CG1 4.13Å; W342-V555 HydrophobicContact CH2-CG2 3.99Å; W342-V555 HydrophobicContact CZ2-CG1 4.48Å; W342-V555 HydrophobicContact CZ2-CG2 4.13Å; G544-V555 PolarHBondContact N-O 3.16Å; G544-V555 PolarHBondContact O-N 3.17Å; V555-V567 HydrophobicContact CB-CG2 4.46Å; V555-V567 HydrophobicContact CG1-CG2 4.12Å; V555-V567 HydrophobicContact CG2-CG1 3.96Å; V555-V567 HydrophobicContact CG2-CG2 4.25Å; V555-V583 HydrophobicContact CG1-CG1 4.1Å; V555-V583 HydrophobicContact CG1-CG2 4.36Å; V555-V592 HydrophobicContact CB-CG2 4.05Å; V555-V592 HydrophobicContact CG2-CG1 4.29Å; V555-V592 HydrophobicContact CG2-CG2 4.31Å
556	G	97.2	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.			trans	62.1	-137.5	172.5	0	0	0	0	0	114.6	R540 L564 T566 R587	R540-G556 WeakPolarHBondContact CD-O 3.3Å; R540-G556 PolarHBondContact NH1-O 2.83Å; G556-L564 VanDerWaalsContact CA-O 3.28Å; G556-L564 WeakPolarHBondContact CA-O 3.23Å; G556-T566 PolarHBondContact N-O 2.79Å; G556-R587 CarbonylContact C-O 3.56Å; G556-R587 WeakPolarHBondContact CA-O 3.48Å
557	G	96.9	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.			trans	89.2	-160.1	-167.1	0	0	0	0	0	112.8	G541 L564 R587	G541-G557 CarbonylContact O-C 3.42Å; G541-G557 WeakPolarHBondContact O-CA 3.47Å; G557-L564 PolarHBondContact O-N 2.89Å; G557-R587 PolarHBondContact N-O 3.3Å
558	H	95.7	Very high	96.1	Very high	49 Å²	49	31.6 Å²	31.6	23%	0.227	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-138	145.3	173	64.7	92.4	0	0	0	111.8	R540 G541 A562 Y563	R540-H558 WeakPolarHBondContact CA-O 3.5Å; G541-H558 PolarHBondContact N-O 2.9Å; G541-H558 PolarHBondContact O-CD2 2.97Å; G541-H558 PolarHBondContact O-N 2.87Å; H558-A562 VanDerWaalsContact CA-O 3.28Å; H558-A562 WeakPolarHBondContact CA-O 3.27Å; H558-A562 WeakPolarHBondContact CB-O 3.38Å; H558-Y563 HydrophobicContact CB-CD1 3.93Å; H558-Y563 HydrophobicContact CB-CE1 4.14Å
559	N	96.2	Very high	96.2	Very high	48 Å²	48	31.6 Å²	31.6	26%	0.257	18%	0.182	S	C	.	.			trans	-95.5	3.4	177	69.8	4.1	0	0	0	113.8	T538 P539 N561 A562 L564	T538-N559 HydrophobicContact CG2-CB 3.78Å; P539-N559 VanDerWaalsContact O-CA 3.26Å; P539-N559 WeakPolarHBondContact O-CA 3.28Å; P539-N559 VanDerWaalsContact O-CB 3.31Å; P539-N559 WeakPolarHBondContact O-CB 3.41Å; N559-N561 PolarHBondContact OD1-N 2.86Å; N559-A562 PolarHBondContact N-O 2.59Å; N559-A562 VanDerWaalsContact N-O 3.11Å; N559-A562 PolarHBondContact OD1-N 3.04Å; N559-A562 PolarHBondContact OD1-O 3.28Å; N559-L564 HydrophobicContact CB-CD1 4.37Å; N559-L564 HydrophobicContact CB-CD2 4.42Å
560	G	93.6	Very high	96.5	Very high	50 Å²	50	29.6 Å²	29.6	52%	0.515	17%	0.172	S	C	.	.	S	Bend	trans	101.4	-30.5	-179.1	0	0	0	0	0	112.8
561	N	92.6	Very high	96.6	Very high	161 Å²	161	30 Å²	30	86%	0.861	17%	0.17	S	C	*	.	S	Bend	trans	-97	-37.7	175.1	-62.1	-29.4	0	0	0	112	N559	N559-N561 PolarHBondContact OD1-N 2.86Å
562	A	93.8	Very high	96.5	Very high	47 Å²	47	28.8 Å²	28.8	39%	0.388	17%	0.169	S	C	.	.	S	Bend	trans	-141.7	157	-175.7	0	0	0	0	0	112.5	H558 N559	H558-A562 VanDerWaalsContact CA-O 3.28Å; H558-A562 WeakPolarHBondContact CA-O 3.27Å; H558-A562 WeakPolarHBondContact CB-O 3.38Å; N559-A562 PolarHBondContact N-O 2.59Å; N559-A562 VanDerWaalsContact N-O 3.11Å; N559-A562 PolarHBondContact OD1-N 3.04Å; N559-A562 PolarHBondContact OD1-O 3.28Å
563	Y	95.3	Very high	96.2	Very high	75 Å²	75	36 Å²	36	29%	0.294	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-80.3	138.1	164.4	-58.6	-77.7	0	0	0	109.1	R322 H558 C586 A588	R322-Y563 VanDerWaalsContact NH1-CE1 3.3Å; R322-Y563 PolarHBondContact NH1-OH 3.12Å; R322-Y563 PolarHBondContact NH2-OH 3.27Å; H558-Y563 HydrophobicContact CB-CD1 3.93Å; H558-Y563 HydrophobicContact CB-CE1 4.14Å; Y563-C586 WeakPolarHBondContact O-CB 3.39Å; Y563-C586 PolarHBondContact O-SG 2.79Å; Y563-A588 HydrophobicContact CD1-CB 3.7Å; Y563-A588 HydrophobicContact CE1-CB 4.16Å
564	L	96.6	Very high	96.1	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.089	23%	0.227	C	C	.	.			trans	-100	141.7	-172.8	-56.8	173.8	0	0	0	110.6	T538 R540 G556 G557 N559 C586 R587	T538-L564 HydrophobicContact CG2-CD1 3.85Å; T538-L564 HydrophobicContact CG2-CD2 4.18Å; R540-L564 HydrophobicContact CG-CD1 3.8Å; G556-L564 VanDerWaalsContact CA-O 3.28Å; G556-L564 WeakPolarHBondContact CA-O 3.23Å; G557-L564 PolarHBondContact O-N 2.89Å; N559-L564 HydrophobicContact CB-CD1 4.37Å; N559-L564 HydrophobicContact CB-CD2 4.42Å; L564-C586 VanDerWaalsContact O-CA 3.3Å; L564-C586 WeakPolarHBondContact O-CA 3.48Å; L564-R587 PolarHBondContact O-N 2.85Å
565	N	95.8	Very high	96	Very high	52 Å²	52	43.2 Å²	43.2	28%	0.278	25%	0.247	S	C	.	.			trans	-108.6	-8.8	164.4	72	-29.1	0	0	0	112.4	S582 V583 C586	N565-S582 CarbonylContact O-C 3.59Å; N565-S582 WeakPolarHBondContact O-CA 3.42Å; N565-S582 WeakPolarHBondContact O-CB 3.47Å; N565-V583 HydrophobicContact CB-CG2 4.04Å; N565-V583 PolarHBondContact O-N 2.94Å; N565-V583 WeakPolarHBondContact O-CG2 3.32Å; N565-V583 VanDerWaalsContact ND2-O 3.13Å; N565-V583 PolarHBondContact ND2-O 2.91Å; N565-V583 WeakPolarHBondContact CB-O 3.31Å; N565-C586 HydrophobicContact CB-CB 4.4Å
566	T	97.2	Very high	96	Very high	33 Å²	33	49.6 Å²	49.6	20%	0.202	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	150.5	-179.3	54.2	0	0	0	0	112.1	R540 G556 L579	R540-T566 PolarHBondContact NH1-O 3.25Å; R540-T566 PolarHBondContact NH2-O 2.86Å; R540-T566 PolarHBondContact NH2-OG1 2.82Å; G556-T566 PolarHBondContact N-O 2.79Å; T566-L579 HydrophobicContact CG2-CD1 4.09Å
567	V	97.9	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123	179.2	-175.6	0	0	0	0	109.6	W342 F553 A554 V555 V580 G581	W342-V567 HydrophobicContact CZ2-CG1 4.23Å; W342-V567 HydrophobicContact CZ2-CG2 3.71Å; F553-V567 HydrophobicContact CD1-CG1 4.09Å; A554-V567 WeakPolarHBondContact O-CA 3.14Å; V555-V567 HydrophobicContact CB-CG2 4.46Å; V555-V567 HydrophobicContact CG1-CG2 4.12Å; V555-V567 HydrophobicContact CG2-CG1 3.96Å; V555-V567 HydrophobicContact CG2-CG2 4.25Å; V567-V580 HydrophobicContact CB-CG2 4.23Å; V567-V580 HydrophobicContact CG1-CG2 3.77Å; V567-V580 WeakPolarHBondContact O-CG2 3.49Å; V567-V580 PolarHBondContact O-N 3.07Å; V567-G581 PolarHBondContact N-O 2.91Å
568	E	97.9	Very high	96.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.3	174.9	-66.4	171.6	-103.1	0	0	110.2	T537 R540 F553 A554 W577 E578	T537-E568 WeakPolarHBondContact CB-OE2 3.28Å; T537-E568 WeakPolarHBondContact CG2-OE2 3.34Å; T537-E568 PolarHBondContact N-OE2 3.35Å; T537-E568 PolarHBondContact OG1-OE2 2.81Å; R540-E568 IonicContact CZ-OE1 2.96Å; R540-E568 IonicContact NE-OE1 3.41Å; R540-E568 PolarHBondContact NE-OE1 2.89Å; R540-E568 IonicContact NH2-OE1 2.66Å; R540-E568 PolarHBondContact NH2-OE1 3.37Å; F553-E568 CarbonylContact C-O 3.58Å; F553-E568 WeakPolarHBondContact CA-O 3.34Å; A554-E568 PolarHBondContact N-O 3.02Å; A554-E568 PolarHBondContact O-N 3.48Å; E568-W577 HydrophobicContact CB-CE3 3.68Å; E568-W577 HydrophobicContact CB-CZ3 4.27Å; E568-E578 WeakPolarHBondContact CA-O 3.43Å; E568-E578 VanDerWaalsContact CA-O 3.22Å; E568-E578 CarbonylContact C-O 3.57Å
569	A	97.9	Very high	96.1	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.5	171.8	0	0	0	0	0	110.8	I552 F553 W577 E578 V580	I552-A569 CarbonylContact O-C 3.55Å; I552-A569 WeakPolarHBondContact O-CA 3.44Å; F553-A569 HydrophobicContact CD1-CB 4.23Å; F553-A569 HydrophobicContact CD2-CB 4.48Å; F553-A569 HydrophobicContact CE1-CB 4.13Å; F553-A569 HydrophobicContact CE2-CB 4.35Å; F553-A569 HydrophobicContact CG-CB 4.41Å; F553-A569 HydrophobicContact CZ-CB 4.18Å; A569-W577 WeakPolarHBondContact O-CA 3.37Å; A569-E578 PolarHBondContact N-O 2.61Å; A569-E578 PolarHBondContact O-N 2.94Å; A569-V580 HydrophobicContact CB-CB 4.42Å; A569-V580 HydrophobicContact CB-CG1 3.6Å; A569-V580 HydrophobicContact CB-CG2 3.93Å
570	F	98.4	Very high	96	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.4	172.8	-179.2	-112	0	0	0	110.7	Y506 V533 A534 K551 I552 P572 N575 R576 W577	Y506-F570 HydrophobicContact CD1-CE1 4.28Å; Y506-F570 HydrophobicContact CE1-CD1 4.31Å; Y506-F570 AromaticContact CE1-CE1 3.59Å; Y506-F570 HydrophobicContact CE1-CE1 3.59Å; Y506-F570 HydrophobicContact CE1-CZ 4.3Å; V533-F570 HydrophobicContact CB-CE2 4.49Å; V533-F570 HydrophobicContact CB-CZ 4.1Å; V533-F570 HydrophobicContact CG2-CE2 4.35Å; V533-F570 HydrophobicContact CG2-CZ 4.05Å; A534-F570 HydrophobicContact CB-CE2 4.25Å; K551-F570 VanDerWaalsContact CA-O 3.24Å; K551-F570 WeakPolarHBondContact CA-O 3.37Å; K551-F570 VanDerWaalsContact CB-O 3.22Å; K551-F570 WeakPolarHBondContact CB-O 3.15Å; I552-F570 HydrophobicContact CB-CB 4.25Å; I552-F570 HydrophobicContact CD1-CD1 4.41Å; I552-F570 PolarHBondContact N-O 2.9Å; I552-F570 PolarHBondContact O-N 2.83Å; F570-P572 HydrophobicContact CE1-CB 3.9Å; F570-N575 WeakPolarHBondContact CE2-OD1 3.37Å; F570-N575 WeakPolarHBondContact CZ-OD1 3.37Å; F570-R576 WeakPolarHBondContact CA-O 3.3Å; F570-W577 AromaticContact CD2-CE2 3.81Å; F570-W577 HydrophobicContact CD2-CG 4.21Å; F570-W577 HydrophobicContact CD2-CZ2 4.36Å; F570-W577 AromaticContact CD2-NE1 3.56Å; F570-W577 HydrophobicContact CG-CD2 4.39Å; F570-W577 HydrophobicContact CG-CZ2 4.18Å; F570-W577 VanDerWaalsContact N-CE3 3.31Å; F570-W577 AromaticContact CD2-CD1 3.83Å; F570-W577 HydrophobicContact CB-CZ3 3.71Å; F570-W577 HydrophobicContact CB-CZ2 3.68Å; F570-W577 HydrophobicContact CB-CH2 3.7Å; F570-W577 HydrophobicContact CB-CG 4.45Å; F570-W577 HydrophobicContact CB-CE3 3.7Å; F570-W577 HydrophobicContact CB-CD2 3.7Å; F570-W577 HydrophobicContact CD2-CD2 4.16Å
571	D	96.1	Very high	95.9	Very high	25 Å²	25	55.4 Å²	55.4	13%	0.134	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.4	168.6	-170.6	-43	0	0	0	109.6	K551 I573 V574 N575 R576	K551-D571 HydrophobicContact CD-CB 4.29Å; K551-D571 WeakPolarHBondContact CE-OD2 3.18Å; K551-D571 IonicContact NZ-OD2 2.73Å; K551-D571 PolarHBondContact NZ-OD2 2.94Å; D571-I573 PolarHBondContact OD1-N 3.5Å; D571-I573 WeakPolarHBondContact OD1-CB 3.45Å; D571-I573 PolarHBondContact O-N 3.22Å; D571-I573 VanDerWaalsContact C-N 3.28Å; D571-V574 HydrophobicContact CB-CG2 3.64Å; D571-V574 PolarHBondContact OD1-N 3.18Å; D571-N575 VanDerWaalsContact O-CA 3.3Å; D571-N575 WeakPolarHBondContact O-CA 3.32Å; D571-N575 PolarHBondContact O-N 3.03Å; D571-R576 PolarHBondContact N-O 2.8Å; D571-R576 PolarHBondContact O-N 2.7Å
572	P	94.5	Very high	96	Very high	33 Å²	33	50.2 Å²	50.2	21%	0.214	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.8	-177.5	33.9	-40.1	0	0	0	113.3	L501 G550 F570	L501-P572 HydrophobicContact CD2-CB 4.07Å; L501-P572 HydrophobicContact CD2-CG 3.88Å; G550-P572 WeakPolarHBondContact O-CD 3.22Å; F570-P572 HydrophobicContact CE1-CB 3.9Å
573	I	91.9	Very high	96	Very high	153 Å²	153	48 Å²	48	79%	0.785	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-45.3	-175.6	-57.2	175.4	0	0	0	109.7	D571	D571-I573 PolarHBondContact OD1-N 3.5Å; D571-I573 WeakPolarHBondContact OD1-CB 3.45Å; D571-I573 PolarHBondContact O-N 3.22Å; D571-I573 VanDerWaalsContact C-N 3.28Å
574	V	95.5	Very high	95.8	Very high	81 Å²	81	47.8 Å²	47.8	49%	0.491	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.3	175.8	-63.7	0	0	0	0	113.4	D571 R576	D571-V574 HydrophobicContact CB-CG2 3.64Å; D571-V574 PolarHBondContact OD1-N 3.18Å; V574-R576 HydrophobicContact CG2-CB 3.96Å
575	N	96.9	Very high	95.4	Very high	78 Å²	78	48.9 Å²	48.9	42%	0.417	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	60.2	-175.2	-173.9	31.6	0	0	0	111.7	A534 F570 D571	A534-N575 WeakPolarHBondContact CB-O 3.26Å; A534-N575 WeakPolarHBondContact CB-OD1 3.31Å; A534-N575 PolarHBondContact N-OD1 3.29Å; F570-N575 WeakPolarHBondContact CE2-OD1 3.37Å; F570-N575 WeakPolarHBondContact CZ-OD1 3.37Å; D571-N575 VanDerWaalsContact O-CA 3.3Å; D571-N575 WeakPolarHBondContact O-CA 3.32Å; D571-N575 PolarHBondContact O-N 3.03Å
576	R	97.9	Very high	95.3	Very high	136 Å²	136	48.4 Å²	48.4	51%	0.513	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.6	-175.6	-175.9	170	72.6	-159.4	2.9	112	F570 D571 V574 E578	F570-R576 WeakPolarHBondContact CA-O 3.3Å; D571-R576 PolarHBondContact N-O 2.8Å; D571-R576 PolarHBondContact O-N 2.7Å; V574-R576 HydrophobicContact CG2-CB 3.96Å; R576-E578 IonicContact NH2-OE1 3.29Å; R576-E578 PolarHBondContact NH2-OE1 2.82Å; R576-E578 VanDerWaalsContact NE-OE1 3.12Å; R576-E578 IonicContact NE-OE1 3.26Å; R576-E578 VanDerWaalsContact CZ-OE1 3.3Å; R576-E578 IonicContact CZ-OE1 2.94Å; R576-E578 PolarHBondContact NE-OE1 3.08Å
577	W	98.3	Very high	95.1	Very high	13 Å²	13	46.9 Å²	46.9	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.8	166	-68.5	89.3	0	0	0	111.4	V508 V520 A534 E535 L536 I552 A554 E568 A569 F570	V508-W577 HydrophobicContact CG1-CH2 3.81Å; V508-W577 HydrophobicContact CG1-CZ2 3.93Å; V508-W577 HydrophobicContact CG2-CH2 4.05Å; V508-W577 HydrophobicContact CG2-CZ2 4.07Å; V520-W577 HydrophobicContact CG1-CZ2 4.39Å; V520-W577 HydrophobicContact CG2-CZ2 3.83Å; A534-W577 VanDerWaalsContact O-CD1 3.28Å; A534-W577 PolarHBondContact O-NE1 3.07Å; E535-W577 VanDerWaalsContact C-CD1 3.41Å; L536-W577 HydrophobicContact CD2-CD2 3.74Å; L536-W577 HydrophobicContact CD2-CE3 3.74Å; L536-W577 HydrophobicContact CD2-CG 4.48Å; L536-W577 HydrophobicContact CD2-CH2 3.76Å; L536-W577 HydrophobicContact CD2-CZ2 3.75Å; L536-W577 HydrophobicContact CD2-CZ3 3.76Å; L536-W577 HydrophobicContact CG-CZ2 4.3Å; I552-W577 HydrophobicContact CG2-CH2 4.19Å; I552-W577 WeakPolarHBondContact O-CZ3 3.42Å; A554-W577 HydrophobicContact CB-CH2 3.93Å; A554-W577 HydrophobicContact CB-CZ3 3.61Å; E568-W577 HydrophobicContact CB-CE3 3.68Å; E568-W577 HydrophobicContact CB-CZ3 4.27Å; A569-W577 WeakPolarHBondContact O-CA 3.37Å; F570-W577 AromaticContact CD2-CE2 3.81Å; F570-W577 HydrophobicContact CD2-CG 4.21Å; F570-W577 HydrophobicContact CD2-CZ2 4.36Å; F570-W577 AromaticContact CD2-NE1 3.56Å; F570-W577 HydrophobicContact CG-CD2 4.39Å; F570-W577 HydrophobicContact CG-CZ2 4.18Å; F570-W577 VanDerWaalsContact N-CE3 3.31Å; F570-W577 AromaticContact CD2-CD1 3.83Å; F570-W577 HydrophobicContact CB-CZ3 3.71Å; F570-W577 HydrophobicContact CB-CZ2 3.68Å; F570-W577 HydrophobicContact CB-CH2 3.7Å; F570-W577 HydrophobicContact CB-CG 4.45Å; F570-W577 HydrophobicContact CB-CE3 3.7Å; F570-W577 HydrophobicContact CB-CD2 3.7Å; F570-W577 HydrophobicContact CD2-CD2 4.16Å
578	E	97.1	Very high	95	Very high	70 Å²	70	47 Å²	47	33%	0.327	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.7	176.7	-66.2	176.8	172	0	0	110.2	E568 A569 R576 V580	E568-E578 WeakPolarHBondContact CA-O 3.43Å; E568-E578 VanDerWaalsContact CA-O 3.22Å; E568-E578 CarbonylContact C-O 3.57Å; A569-E578 PolarHBondContact N-O 2.61Å; A569-E578 PolarHBondContact O-N 2.94Å; R576-E578 IonicContact NH2-OE1 3.29Å; R576-E578 PolarHBondContact NH2-OE1 2.82Å; R576-E578 VanDerWaalsContact NE-OE1 3.12Å; R576-E578 IonicContact NE-OE1 3.26Å; R576-E578 VanDerWaalsContact CZ-OE1 3.3Å; R576-E578 IonicContact CZ-OE1 2.94Å; R576-E578 PolarHBondContact NE-OE1 3.08Å; E578-V580 PolarHBondContact O-N 2.74Å
579	L	95.9	Very high	94.8	Very high	114 Å²	114	47.3 Å²	47.3	60%	0.597	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	111.6	172	-177.9	72.8	0	0	0	108.8	T566	T566-L579 HydrophobicContact CG2-CD1 4.09Å
580	V	94.3	Very high	94.7	Very high	44 Å²	44	47.6 Å²	47.6	27%	0.267	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-5	-174.6	-67.6	0	0	0	0	113.8	F553 V567 A569 E578	F553-V580 HydrophobicContact CD1-CG2 4.02Å; F553-V580 HydrophobicContact CE1-CG2 3.85Å; V567-V580 HydrophobicContact CB-CG2 4.23Å; V567-V580 HydrophobicContact CG1-CG2 3.77Å; V567-V580 WeakPolarHBondContact O-CG2 3.49Å; V567-V580 PolarHBondContact O-N 3.07Å; A569-V580 HydrophobicContact CB-CB 4.42Å; A569-V580 HydrophobicContact CB-CG1 3.6Å; A569-V580 HydrophobicContact CB-CG2 3.93Å; E578-V580 PolarHBondContact O-N 2.74Å
581	G	91.8	Very high	94.6	Very high	27 Å²	27	48 Å²	48	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-161.9	173.7	0	0	0	0	0	112.4	V567	V567-G581 PolarHBondContact N-O 2.91Å
582	S	94.2	Very high	94.7	Very high	52 Å²	52	47.4 Å²	47.4	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.4	173.5	-62.8	0	0	0	0	110.3	N565	N565-S582 CarbonylContact O-C 3.59Å; N565-S582 WeakPolarHBondContact O-CA 3.42Å; N565-S582 WeakPolarHBondContact O-CB 3.47Å
583	V	93.9	Very high	94.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	26%	0.26	C	S	.	.			trans	-70.7	159.7	156.5	-76.1	0	0	0	0	109.7	E333 W342 V555 N565 H585	E333-V583 HydrophobicContact CB-CG1 4.15Å; W342-V583 HydrophobicContact CD2-CG1 3.68Å; W342-V583 HydrophobicContact CE3-CG1 3.53Å; W342-V583 HydrophobicContact CG-CG1 4.41Å; W342-V583 HydrophobicContact CH2-CG1 3.72Å; W342-V583 HydrophobicContact CZ2-CG1 3.93Å; W342-V583 HydrophobicContact CZ3-CG1 3.54Å; V555-V583 HydrophobicContact CG1-CG1 4.1Å; V555-V583 HydrophobicContact CG1-CG2 4.36Å; N565-V583 HydrophobicContact CB-CG2 4.04Å; N565-V583 PolarHBondContact O-N 2.94Å; N565-V583 WeakPolarHBondContact O-CG2 3.32Å; N565-V583 VanDerWaalsContact ND2-O 3.13Å; N565-V583 PolarHBondContact ND2-O 2.91Å; N565-V583 WeakPolarHBondContact CB-O 3.31Å; V583-H585 WeakPolarHBondContact CG2-O 3.43Å
584	S	92.3	Very high	95.2	Very high	70 Å²	70	40.5 Å²	40.5	49%	0.49	23%	0.232	S	C	.	.	S	Bend	trans	-68.9	-38.6	-178.7	-42.1	0	0	0	0	111.6	E333 F344	E333-S584 WeakPolarHBondContact OE2-CA 3.27Å; E333-S584 WeakPolarHBondContact OE2-CB 3.34Å; E333-S584 PolarHBondContact OE2-N 2.93Å; E333-S584 PolarHBondContact OE2-OG 2.93Å; F344-S584 WeakPolarHBondContact CE2-OG 3.48Å; F344-S584 WeakPolarHBondContact CZ-OG 3.38Å
585	H	88.6	Confident	95.3	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.181	21%	0.209	C	C	.	.	S	Bend	trans	-108.4	141.9	178.8	-60.7	92.6	0	0	0	111.3	F329 E333 F344 V583 R587	F329-H585 HydrophobicContact CE2-CB 4.26Å; F329-H585 HydrophobicContact CZ-CB 4.4Å; E333-H585 IonicContact OE1-CG 2.61Å; E333-H585 PolarHBondContact OE1-N 2.87Å; E333-H585 IonicContact OE1-ND1 3.12Å; E333-H585 PolarHBondContact OE1-ND1 2.92Å; F344-H585 AromaticContact CE1-CE1 3.56Å; F344-H585 AromaticContact CE1-ND1 3.58Å; F344-H585 AromaticContact CZ-CE1 3.41Å; F344-H585 VanDerWaalsContact CZ-CE1 3.41Å; F344-H585 WeakPolarHBondContact CZ-CE1 3.38Å; F344-H585 AromaticContact CZ-ND1 3.53Å; V583-H585 WeakPolarHBondContact CG2-O 3.43Å; H585-R587 HydrophobicContact CB-CG 4.45Å; H585-R587 PolarHBondContact O-N 2.83Å
586	C	92.9	Very high	95.1	Very high	42 Å²	42	37.8 Å²	37.8	28%	0.284	22%	0.223	S	C	.	.			trans	-63	130.9	165.9	-58.1	0	0	0	0	109.9	G323 Y563 L564 N565	G323-C586 WeakPolarHBondContact CA-O 3.46Å; Y563-C586 WeakPolarHBondContact O-CB 3.39Å; Y563-C586 PolarHBondContact O-SG 2.79Å; L564-C586 VanDerWaalsContact O-CA 3.3Å; L564-C586 WeakPolarHBondContact O-CA 3.48Å; N565-C586 HydrophobicContact CB-CB 4.4Å
587	R	93.7	Very high	94.9	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	20%	0.202	C	C	.	.			trans	-137.2	106.7	-172.2	-74.5	176.1	-172	-94.4	1.5	111	C318 G320 R322 F329 S331 E333 G556 G557 L564 H585 A590	C318-R587 WeakPolarHBondContact SG-CD 3.4Å; G320-R587 PolarHBondContact O-NH1 3.33Å; R322-R587 WeakPolarHBondContact O-CA 3.41Å; F329-R587 HydrophobicContact CD2-CG 4.25Å; F329-R587 HydrophobicContact CE2-CG 4.2Å; S331-R587 PolarHBondContact O-NH1 3.31Å; S331-R587 PolarHBondContact OG-NH2 3.11Å; E333-R587 IonicContact OE1-CZ 3.78Å; E333-R587 VanDerWaalsContact OE1-CZ 3.26Å; E333-R587 IonicContact OE1-NE 3.58Å; E333-R587 PolarHBondContact OE1-NE 3.43Å; E333-R587 IonicContact OE1-NH2 3.72Å; E333-R587 PolarHBondContact OE1-NH2 2.87Å; G556-R587 CarbonylContact C-O 3.56Å; G556-R587 WeakPolarHBondContact CA-O 3.48Å; G557-R587 PolarHBondContact N-O 3.3Å; L564-R587 PolarHBondContact O-N 2.85Å; H585-R587 HydrophobicContact CB-CG 4.45Å; H585-R587 PolarHBondContact O-N 2.83Å; R587-A590 HydrophobicContact CB-CB 4.06Å
588	A	94	Very high	94.6	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-105.6	142.7	165.6	0	0	0	0	0	111.2	G321 R322 Y563 A590	G321-A588 WeakPolarHBondContact CA-O 3.2Å; R322-A588 PolarHBondContact N-O 2.9Å; R322-A588 PolarHBondContact O-N 3.49Å; Y563-A588 HydrophobicContact CD1-CB 3.7Å; Y563-A588 HydrophobicContact CE1-CB 4.16Å; A588-A590 PolarHBondContact O-N 3.13Å
589	G	93.7	Very high	94.3	Very high	8 Å²	8	30 Å²	30	8%	0.082	20%	0.196	C	C	.	.	S	Bend	trans	62.7	26.3	-175.7	0	0	0	0	0	113.5	H354 V355 G542	H354-G589 VanDerWaalsContact CA-O 3.22Å; H354-G589 WeakPolarHBondContact CA-O 3.3Å; H354-G589 PolarHBondContact N-O 2.96Å; V355-G589 PolarHBondContact N-O 3.09Å; G542-G589 PolarHBondContact O-N 2.99Å
590	A	96.8	Very high	94.1	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	20%	0.196	C	C	.	.			trans	-78.4	143.5	164.4	0	0	0	0	0	108.9	V319 G320 R587 A588	V319-A590 WeakPolarHBondContact O-CA 3.41Å; G320-A590 WeakPolarHBondContact O-CB 3.25Å; R587-A590 HydrophobicContact CB-CB 4.06Å; A588-A590 PolarHBondContact O-N 3.13Å
591	G	97.4	Very high	94	Very high	8 Å²	8	29.6 Å²	29.6	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.3	169.9	0	0	0	0	0	110.1	V319	V319-G591 PolarHBondContact N-O 2.89Å; V319-G591 PolarHBondContact O-N 3.16Å; V319-G591 VanDerWaalsContact O-N 3.14Å
592	V	98.1	Very high	94.2	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.085	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.2	-177.1	176.4	0	0	0	0	109.6	L316 F317 C318 A546 V555	L316-V592 HydrophobicContact CD1-CG1 4.29Å; L316-V592 HydrophobicContact CD2-CG1 3.81Å; L316-V592 HydrophobicContact CG-CG1 4.02Å; F317-V592 VanDerWaalsContact O-CA 3.23Å; F317-V592 WeakPolarHBondContact O-CA 3.42Å; C318-V592 HydrophobicContact CB-CG2 4.22Å; A546-V592 HydrophobicContact CB-CG1 3.87Å; V555-V592 HydrophobicContact CB-CG2 4.05Å; V555-V592 HydrophobicContact CG2-CG1 4.29Å; V555-V592 HydrophobicContact CG2-CG2 4.31Å
593	A	97.9	Very high	94.2	Very high	8 Å²	8	33.3 Å²	33.3	7%	0.066	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.9	179.2	0	0	0	0	0	111.1	F317 V357	F317-A593 PolarHBondContact N-O 3.09Å; F317-A593 PolarHBondContact O-N 2.68Å; F317-A593 VanDerWaalsContact O-N 3.11Å; V357-A593 HydrophobicContact CG1-CB 4.05Å
594	V	97.8	Very high	94.1	Very high	32 Å²	32	37.5 Å²	37.5	19%	0.194	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.3	171	172.8	0	0	0	0	109.9	V315 L316 S359 A546 T547 L548	V315-V594 WeakPolarHBondContact O-CA 3.36Å; L316-V594 HydrophobicContact CB-CG2 4Å; L316-V594 HydrophobicContact CD1-CG2 4.26Å; L316-V594 HydrophobicContact CG-CG2 4.21Å; S359-V594 WeakPolarHBondContact CB-O 3.47Å; S359-V594 PolarHBondContact OG-O 3.26Å; A546-V594 HydrophobicContact CB-CG2 4Å; T547-V594 WeakPolarHBondContact O-CG2 3.35Å; L548-V594 HydrophobicContact CB-CG2 3.94Å; L548-V594 HydrophobicContact CD1-CG1 3.82Å; L548-V594 HydrophobicContact CD1-CG2 4.09Å; L548-V594 HydrophobicContact CG-CG2 4.5Å
595	C	97.1	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.6	174.7	-163	0	0	0	0	111.2	G314 V315 F317 S359 G362 V364 C597	G314-C595 CarbonylContact C-O 3.37Å; G314-C595 WeakPolarHBondContact CA-O 3.41Å; V315-C595 PolarHBondContact N-O 2.8Å; V315-C595 PolarHBondContact O-N 3Å; F317-C595 HydrophobicContact CD2-CB 3.86Å; F317-C595 HydrophobicContact CE2-CB 3.48Å; F317-C595 VanDerWaalsContact CE2-CB 3.48Å; F317-C595 HydrophobicContact CZ-CB 4.4Å; S359-C595 WeakPolarHBondContact OG-CA 3.43Å; G362-C595 PolarHBondContact O-SG 2.68Å; G362-C595 VanDerWaalsContact O-SG 3.35Å; V364-C595 HydrophobicContact CG2-CB 3.68Å; C595-C597 PolarHBondContact O-N 3.49Å
596	S	93.2	Very high	93.7	Very high	103 Å²	103	36.8 Å²	36.8	72%	0.72	22%	0.221	S	C	*	.	S	Bend	trans	-75.8	66.5	174.2	-52.4	0	0	0	0	111.3
597	C	93.5	Very high	92.3	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.061	25%	0.248	C	C	.	.	S	Bend	trans	-134.9	158.7	175.1	61.2	0	0	0	0	110	G314 P384 C595	G314-C597 WeakPolarHBondContact CA-O 3.37Å; P384-C597 HydrophobicContact CB-CB 3.74Å; P384-C597 HydrophobicContact CG-CB 3.87Å; C595-C597 PolarHBondContact O-N 3.49Å
598	L	92.3	Very high	90.4	Very high	32 Å²	32	43.7 Å²	43.7	17%	0.168	25%	0.252	C	S	.	.			trans	-79.4	145.3	175.7	-58.2	176.8	0	0	0	110.3	Q311 S600 Q601	Q311-L598 HydrophobicContact CG-CD2 4.35Å; Q311-L598 VanDerWaalsContact O-CD2 3.3Å; Q311-L598 WeakPolarHBondContact O-CD2 3.37Å; L598-S600 PolarHBondContact O-N 2.99Å; L598-Q601 WeakPolarHBondContact O-CB 3.42Å; L598-Q601 PolarHBondContact O-N 3.04Å; L598-Q601 HydrophobicContact CB-CG 4.08Å
599	S	91.5	Very high	87.9	Confident	13 Å²	13	47.4 Å²	47.4	9%	0.091	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-64.3	-27.2	176.3	58	0	0	0	0	113	S336 Q601 I602	S336-S599 WeakPolarHBondContact OG-CB 3.4Å; S336-S599 PolarHBondContact OG-OG 2.77Å; S599-Q601 PolarHBondContact O-N 2.75Å; S599-I602 PolarHBondContact O-N 3.4Å
600	S	90.3	Very high	85.2	Confident	86 Å²	86	52.1 Å²	52.1	60%	0.601	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-67.1	-19	171.9	53.9	0	0	0	0	114.4	L598	L598-S600 PolarHBondContact O-N 2.99Å
601	Q	93.4	Very high	82.3	Confident	64 Å²	64	58 Å²	58	30%	0.299	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-79.4	-20.6	174.7	-68	166.1	-21.8	0	0	111.7	P384 N387 L598 S599	P384-Q601 VanDerWaalsContact O-O 3.12Å; N387-Q601 PolarHBondContact ND2-O 3.25Å; L598-Q601 WeakPolarHBondContact O-CB 3.42Å; L598-Q601 PolarHBondContact O-N 3.04Å; L598-Q601 HydrophobicContact CB-CG 4.08Å; S599-Q601 PolarHBondContact O-N 2.75Å
602	I	94.8	Very high	79.4	Confident	11 Å²	11	62.1 Å²	62.1	6%	0.056	36%	0.363	C	S	.	.	S	Bend	trans	-90.2	122.9	-177.3	-47.2	-48	0	0	0	109.7	F317 F343 F382 P384 S599 D604	F317-I602 HydrophobicContact CZ-CD1 3.97Å; F317-I602 HydrophobicContact CZ-CG1 4.19Å; F343-I602 HydrophobicContact CE2-CB 3.87Å; F343-I602 HydrophobicContact CE2-CG2 3.72Å; F343-I602 HydrophobicContact CZ-CB 4.03Å; F343-I602 HydrophobicContact CZ-CG2 4.21Å; F382-I602 HydrophobicContact CE1-CD1 3.95Å; F382-I602 HydrophobicContact CZ-CD1 4.43Å; P384-I602 HydrophobicContact CB-CD1 3.64Å; P384-I602 HydrophobicContact CG-CD1 4.17Å; S599-I602 PolarHBondContact O-N 3.4Å; I602-D604 PolarHBondContact O-N 2.99Å
603	R	94.3	Very high	76.2	Confident	146 Å²	146	67.6 Å²	67.6	55%	0.551	40%	0.396	S	S	*	.			trans	-71.9	109.3	174.2	-178	-177.7	66.5	-173.7	-1.4	109.6	P346 N387 V605	P346-R603 HydrophobicContact CG-CB 4.48Å; N387-R603 HydrophobicContact CB-CB 4.35Å; N387-R603 WeakPolarHBondContact OD1-CB 3.45Å; N387-R603 PolarHBondContact OD1-N 2.82Å; R603-V605 PolarHBondContact O-N 3.38Å
604	D	92.4	Very high	73.1	Confident	90 Å²	90	74 Å²	74	48%	0.481	43%	0.429	S	S	.	.			trans	-60.4	125	164.1	-168	-10	0	0	0	109.6	F343 F344 I602 G606	F343-D604 HydrophobicContact CD2-CB 3.99Å; F344-D604 VanDerWaalsContact O-CA 3.31Å; F344-D604 WeakPolarHBondContact O-CA 3.35Å; I602-D604 PolarHBondContact O-N 2.99Å; D604-G606 PolarHBondContact OD1-N 3.35Å
605	V	90	Very high	69.8	Low	57 Å²	57	78.4 Å²	78.4	35%	0.345	46%	0.46	S	S	.	.			trans	-97.8	5.5	177.8	-59.9	0	0	0	0	113.1	F344 G345 R603	F344-V605 HydrophobicContact CB-CG2 3.55Å; F344-V605 PolarHBondContact O-N 3.19Å; G345-V605 WeakPolarHBondContact O-CG2 3.39Å; R603-V605 PolarHBondContact O-N 3.38Å
606	G	81.9	Confident	66.5	Low	37 Å²	37	90.8 Å²	90.8	38%	0.381	52%	0.521	S	S	.	.	S	Bend	trans	77.5	-148.5	-178.3	0	0	0	0	0	111.7	F344 D604 G608	F344-G606 VanDerWaalsContact CB-O 3.3Å; F344-G606 WeakPolarHBondContact CB-O 3.07Å; F344-G606 WeakPolarHBondContact CD2-O 3.37Å; F344-G606 WeakPolarHBondContact CG-O 3.23Å; D604-G606 PolarHBondContact OD1-N 3.35Å; G606-G608 PolarHBondContact O-N 3.33Å; G606-G608 VanDerWaalsContact O-N 3.14Å
607	Q	65.1	Low	65.2	Low	180 Å²	180	90.2 Å²	90.2	84%	0.841	51%	0.511	S	S	*	.	S	Bend	trans	-62.9	119.1	170.6	-72.5	-174.7	-13.1	0	0	109.3
608	G	52.3	Low	63.7	Low	9 Å²	9	94.5 Å²	94.5	9%	0.093	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-51	144.4	174.9	0	0	0	0	0	111.3	G606 S610	G606-G608 PolarHBondContact O-N 3.33Å; G606-G608 VanDerWaalsContact O-N 3.14Å; G608-S610 PolarHBondContact O-N 3.37Å
609	S	41.4	Very low	62.1	Low	79 Å²	79	97.9 Å²	97.9	55%	0.552	56%	0.555	S	S	*	*	S	Bend	trans	-54	135.7	-163.4	60.1	0	0	0	0	112.9	E347 N611	E347-S609 WeakPolarHBondContact OE1-CB 3.37Å; E347-S609 PolarHBondContact OE1-N 3.28Å; E347-S609 PolarHBondContact OE1-OG 3.12Å; S609-N611 PolarHBondContact O-N 3.23Å
610	S	37.6	Very low	60.4	Low	108 Å²	108	102.9 Å²	102.9	76%	0.755	58%	0.583	S	S	*	*	S	Bend	trans	-61.7	99.1	-159.5	56.7	0	0	0	0	114.3	G608	G608-S610 PolarHBondContact O-N 3.37Å
611	N	36.7	Very low	58.5	Low	133 Å²	133	104 Å²	104	71%	0.711	58%	0.582	S	S	*	*			trans	-110.2	22.5	154.4	-80.1	-18.7	0	0	0	111.2	S609 V613	S609-N611 PolarHBondContact O-N 3.23Å; N611-V613 PolarHBondContact O-N 3.41Å; N611-V613 VanDerWaalsContact O-N 3.08Å
612	V	35.5	Very low	56.2	Low	94 Å²	94	106.7 Å²	106.7	57%	0.57	60%	0.6	S	S	*	*			trans	-75.5	94.1	172	-174.2	0	0	0	0	108.4
613	V	31.8	Very low	53.4	Low	129 Å²	129	113.5 Å²	113.5	78%	0.782	64%	0.639	S	S	*	*			trans	-93.5	121.6	147.7	-179.2	0	0	0	0	105.3	N611 C615	N611-V613 PolarHBondContact O-N 3.41Å; N611-V613 VanDerWaalsContact O-N 3.08Å; V613-C615 PolarHBondContact O-N 3.27Å
614	D	31.5	Very low	50.3	Low	141 Å²	141	111 Å²	111	75%	0.754	65%	0.646	S	S	*	*			trans	-54.4	125.2	-176.4	-63	-59.2	0	0	0	111.5
615	C	29.2	Very low	46.8	Very low	126 Å²	126	112.8 Å²	112.8	85%	0.851	66%	0.66	S	S	*	*			trans	-100.6	97.9	165.4	-67.4	0	0	0	0	108.8	V613	V613-C615 PolarHBondContact O-N 3.27Å
616	M	28.1	Very low	42.8	Very low	260 Å²	260	117.8 Å²	117.8	100%	1.281	69%	0.688	S	S	*	*			trans	-82.1	0	146.9	-84.5	-168	-83.9	0	0	109.6

Retrieved 616 of 616 residues in 4163.3 ms (Link to these results)

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