A0A087WT95_HUMAN Loading...

palmitoyl-CoA hydrolase

AlphaFold DB , UniProt , Accession A0A087WT95, Species HUMAN (Homo sapiens, Human), Gene ACOT2, Length 463 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	38	Very low	33	Very low	236 Å²	236	135 Å²	135	100%	1.163	81%	0.813	S	S	*	*				0	97.1	0	-67.6	-170.9	-112.8	0	0	106
2	A	31.7	Very low	32.6	Very low	95 Å²	95	142.8 Å²	142.8	79%	0.785	82%	0.817	S	S	*	*				57.2	126.3	90.2	0	0	0	0	0	110.6
3	S	30.9	Very low	32.3	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	81%	0.806	S	S	*	*			cis	-177.2	152.9	8.4	30.1	0	0	0	0	107.6
4	S	32.1	Very low	32	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	80%	0.803	S	S	*	*			trans	-51.2	175.4	166	-125.9	0	0	0	0	113.5
5	P	46.6	Very low	31.8	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	81%	0.807	S	S	*	*			cis	-150.7	167.5	48.9	36.5	-12.1	0	0	0	119.9
6	A	33.8	Very low	31.6	Very low	78 Å²	78	152.7 Å²	152.7	65%	0.645	81%	0.809	S	S	*	*			trans	-67.4	164.3	166.1	0	0	0	0	0	114.3
7	V	32.2	Very low	31.5	Very low	147 Å²	147	150.3 Å²	150.3	89%	0.891	81%	0.808	S	S	*	*			trans	-148.9	126.7	141	176.2	0	0	0	0	111.1
8	L	29.1	Very low	31.5	Very low	151 Å²	151	150.6 Å²	150.6	79%	0.791	81%	0.808	S	S	*	*			trans	-70.9	157.1	167.3	-80.6	109	0	0	0	113.1
9	R	30.7	Very low	31.5	Very low	251 Å²	251	153.6 Å²	153.6	95%	0.947	81%	0.813	S	S	*	*			trans	-149.2	119.1	137.5	-111.2	178.5	-173.9	-165.9	1.3	112.8
10	A	28.5	Very low	31.5	Very low	77 Å²	77	151.8 Å²	151.8	64%	0.636	81%	0.813	S	S	*	*			trans	-67.8	166.5	157.5	0	0	0	0	0	109.4
11	S	28.9	Very low	31.7	Very low	101 Å²	101	149.9 Å²	149.9	71%	0.706	81%	0.812	S	S	*	*				-179.3	139.8	57.1	-37.4	0	0	0	0	111.7
12	R	29.3	Very low	31.4	Very low	228 Å²	228	143.5 Å²	143.5	86%	0.86	80%	0.796	S	S	*	*				49.8	150	129.4	-52.6	178.5	174.3	-140	-0.9	123.5
13	L	28	Very low	31.6	Very low	130 Å²	130	147.4 Å²	147.4	68%	0.681	80%	0.799	S	S	*	*			trans	129.4	97.6	149.9	59.8	90.2	0	0	0	111.2
14	Y	28.4	Very low	31.7	Very low	195 Å²	195	150.8 Å²	150.8	77%	0.765	80%	0.799	S	S	*	*				179.3	140.2	64	-114.2	-88	0	0	0	110.8
15	Q	28.1	Very low	31.7	Very low	184 Å²	184	153.2 Å²	153.2	86%	0.86	80%	0.803	S	S	*	*			trans	-86.7	140.1	162.4	-80.5	173	-46.5	0	0	109.6
16	W	28.6	Very low	31.2	Very low	221 Å²	221	151.1 Å²	151.1	84%	0.837	80%	0.803	S	S	*	*			trans	-128.6	118.8	156.6	-89.2	62.7	0	0	0	108.8
17	S	30.5	Very low	31.2	Very low	112 Å²	112	152.9 Å²	152.9	78%	0.783	81%	0.811	S	S	*	*			trans	-99.5	136.8	165.3	67.9	0	0	0	0	108.9
18	L	32.5	Very low	31.5	Very low	156 Å²	156	151.8 Å²	151.8	82%	0.817	81%	0.807	S	S	*	*			trans	-147.5	119.4	154.2	-99.8	158.5	0	0	0	108.6
19	K	31.3	Very low	31.9	Very low	208 Å²	208	153.6 Å²	153.6	90%	0.904	81%	0.811	S	S	*	*			trans	-71.9	136.9	165.8	-70.3	174	174.7	178.4	0	108.6
20	S	31	Very low	32.3	Very low	117 Å²	117	149.8 Å²	149.8	82%	0.818	81%	0.809	S	S	*	*				-171.2	146.5	129.8	-164.8	0	0	0	0	111.6
21	S	34.8	Very low	32.8	Very low	111 Å²	111	157.2 Å²	157.2	78%	0.776	82%	0.82	S	S	*	*			trans	-65.5	142.2	-174.4	39.7	0	0	0	0	116.3
22	A	33.2	Very low	33.6	Very low	102 Å²	102	161.5 Å²	161.5	84%	0.843	83%	0.829	S	S	*	*			trans	-156.7	115.6	145.6	0	0	0	0	0	110
23	Q	35.2	Very low	34.5	Very low	178 Å²	178	156.9 Å²	156.9	83%	0.832	83%	0.826	S	S	*	*			trans	-79.2	134.4	161	-76.2	172.7	-35.3	0	0	108.2
24	F	32.6	Very low	35.4	Very low	185 Å²	185	153.3 Å²	153.3	81%	0.811	82%	0.821	S	S	*	*				171.2	150.2	117	-109	-86.6	0	0	0	112.2
25	L	32.6	Very low	36.3	Very low	161 Å²	161	152.9 Å²	152.9	84%	0.843	83%	0.826	S	S	*	*			trans	93.3	87.2	158.2	-64.2	148	0	0	0	118.6
26	G	35.8	Very low	37.4	Very low	80 Å²	80	151.4 Å²	151.4	83%	0.825	82%	0.822	S	S	*	*				62.1	93.8	121.6	0	0	0	0	0	118.4
27	S	34.3	Very low	38.6	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	82%	0.817	S	S	*	*			trans	-98.8	138.4	163	-45.3	0	0	0	0	109.9
28	P	38.5	Very low	39.8	Very low	123 Å²	123	153.3 Å²	153.3	80%	0.799	82%	0.821	S	S	*	*			trans	-66.6	138.5	-172.6	26.8	-33	0	0	0	111.1	L30	P28-L30 PolarHBondContact O-N 3.08Å; P28-L30 VanDerWaalsContact O-N 3.08Å
29	Q	37.7	Very low	41.2	Very low	189 Å²	189	151.5 Å²	151.5	88%	0.883	82%	0.817	S	S	*	*			trans	-53.1	115.2	173.8	-76.4	177.6	-19.2	0	0	110.1	R31	Q29-R31 PolarHBondContact O-N 3.26Å
30	L	38.7	Very low	42.9	Very low	171 Å²	171	147 Å²	147	90%	0.895	81%	0.808	S	S	*	*			trans	-56.2	108.6	156.9	-89	149.7	0	0	0	107	P28 Q32	P28-L30 PolarHBondContact O-N 3.08Å; P28-L30 VanDerWaalsContact O-N 3.08Å; L30-Q32 PolarHBondContact O-N 2.96Å; L30-Q32 VanDerWaalsContact O-N 3.08Å
31	R	40	Very low	45.1	Very low	233 Å²	233	146 Å²	146	88%	0.879	81%	0.807	S	S	*	*			trans	-52.5	118.8	164.1	-81.6	-177.1	174.5	-171.4	-1.7	106.7	Q29 V33	Q29-R31 PolarHBondContact O-N 3.26Å; R31-V33 VanDerWaalsContact C-N 3.35Å; R31-V33 PolarHBondContact O-N 3.24Å
32	Q	43.7	Very low	47.1	Very low	191 Å²	191	149.9 Å²	149.9	89%	0.893	81%	0.805	S	S	*	*			trans	-54.2	106.3	162	-89.7	179.8	-20	0	0	106.8	L30 G34	L30-Q32 PolarHBondContact O-N 2.96Å; L30-Q32 VanDerWaalsContact O-N 3.08Å; Q32-G34 PolarHBondContact O-N 3.2Å
33	V	48.9	Very low	49.3	Very low	132 Å²	132	153.5 Å²	153.5	80%	0.8	81%	0.806	S	S	*	*			trans	-58.5	121.8	162.4	-178.2	0	0	0	0	104.8	R31	R31-V33 VanDerWaalsContact C-N 3.35Å; R31-V33 PolarHBondContact O-N 3.24Å
34	G	46.8	Very low	51.8	Low	55 Å²	55	148.6 Å²	148.6	57%	0.567	80%	0.797	S	S	*	*			trans	-49.4	150.4	-173.3	0	0	0	0	0	112.2	Q32 I36	Q32-G34 PolarHBondContact O-N 3.2Å; G34-I36 PolarHBondContact O-N 2.73Å
35	Q	48.7	Very low	54.8	Low	186 Å²	186	140.5 Å²	140.5	87%	0.869	76%	0.763	S	S	*	*			trans	-44.4	114.4	170.4	-82.9	177.8	-33.3	0	0	109.1	I37	Q35-I37 PolarHBondContact O-N 3.3Å
36	I	49.9	Very low	57.9	Low	153 Å²	153	136.8 Å²	136.8	79%	0.785	75%	0.748	S	S	*	*			trans	-68.3	95.1	166.8	-61.4	175	0	0	0	104.9	G34 R38	G34-I36 PolarHBondContact O-N 2.73Å; I36-R38 VanDerWaalsContact C-N 3.29Å; I36-R38 PolarHBondContact O-N 3.14Å
37	I	53.9	Low	60.9	Low	142 Å²	142	134 Å²	134	73%	0.728	71%	0.714	S	S	*	*			trans	-66.5	97.9	168.9	-58.2	174.6	0	0	0	105.2	Q35 V39	Q35-I37 PolarHBondContact O-N 3.3Å; I37-V39 PolarHBondContact O-N 2.91Å
38	R	56.8	Low	63.9	Low	231 Å²	231	131 Å²	131	87%	0.872	69%	0.688	S	S	*	*			trans	-66.7	103.7	173.1	-165.2	176.5	-177.6	-177.3	0.6	106.5	I36	I36-R38 VanDerWaalsContact C-N 3.29Å; I36-R38 PolarHBondContact O-N 3.14Å
39	V	60.2	Low	66.7	Low	118 Å²	118	126.2 Å²	126.2	72%	0.715	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-50.6	136.7	171.9	-173.1	0	0	0	0	107.5	I37	I37-V39 PolarHBondContact O-N 2.91Å
40	P	68.4	Low	69.6	Low	113 Å²	113	122 Å²	122	73%	0.734	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-52.9	148	-179.8	20.8	-33.2	0	0	0	110.7
41	A	76	Confident	72.3	Confident	95 Å²	95	117 Å²	117	79%	0.785	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-52.7	148.2	173.9	0	0	0	0	0	110.1	M43	A41-M43 PolarHBondContact O-N 3.39Å
42	R	76.7	Confident	74.6	Confident	193 Å²	193	110.3 Å²	110.3	73%	0.728	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-51	141.6	175.8	-71	-175.5	177	-168.6	-1.3	109.5
43	M	79.3	Confident	76.9	Confident	178 Å²	178	103.6 Å²	103.6	88%	0.877	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-55.8	152.7	174.1	-73	-176.3	137.8	0	0	110.6	A41	A41-M43 PolarHBondContact O-N 3.39Å
44	A	89.2	Confident	79	Confident	76 Å²	76	102.9 Å²	102.9	63%	0.628	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-58.2	154.1	178.9	0	0	0	0	0	111.6	T46	A44-T46 PolarHBondContact O-OG1 3.5Å
45	A	95.3	Very high	81.4	Confident	14 Å²	14	100.3 Å²	100.3	12%	0.116	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-56.8	147.1	175.3	0	0	0	0	0	110.7	V65 R66 L68 L162 C163	A45-V65 HydrophobicContact CB-CG1 4.24Å; A45-R66 CarbonylContact C-O 3.54Å; A45-R66 VanDerWaalsContact CA-O 3.22Å; A45-R66 WeakPolarHBondContact CA-O 3.39Å; A45-L68 HydrophobicContact CB-CD2 3.82Å; A45-L162 HydrophobicContact CB-CB 4.37Å; A45-C163 HydrophobicContact CB-CB 4.36Å; A45-C163 WeakPolarHBondContact O-CB 3.49Å
46	T	96.9	Very high	83.8	Confident	83 Å²	83	91.5 Å²	91.5	51%	0.509	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.7	-177.3	-57.8	0	0	0	0	109.9	A44 V65 R66	A44-T46 PolarHBondContact O-OG1 3.5Å; T46-V65 WeakPolarHBondContact O-CA 3.31Å; T46-R66 PolarHBondContact N-O 3.44Å; T46-R66 PolarHBondContact O-N 3.39Å
47	L	97.9	Very high	86.1	Confident	22 Å²	22	84.2 Å²	84.2	12%	0.115	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.4	170.8	-88.5	155.1	0	0	0	110.3	I63 A64 V65 L76 L148 V150 T165	L47-I63 HydrophobicContact CD2-CG2 3.88Å; L47-A64 CarbonylContact C-O 3.54Å; L47-A64 WeakPolarHBondContact CA-O 3.42Å; L47-V65 HydrophobicContact CD2-CG2 3.72Å; L47-V65 HydrophobicContact CG-CG2 4.26Å; L47-L76 HydrophobicContact CD2-CD2 4.43Å; L47-L148 HydrophobicContact CD1-CB 4.46Å; L47-V150 HydrophobicContact CD1-CG2 3.87Å; L47-V150 HydrophobicContact CD2-CG2 4.08Å; L47-V150 HydrophobicContact CG-CG2 3.92Å; L47-T165 HydrophobicContact CB-CG2 4.06Å; L47-T165 HydrophobicContact CD1-CG2 3.96Å
48	I	97.9	Very high	88.3	Confident	54 Å²	54	78 Å²	78	28%	0.277	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.2	178.1	-55.7	171.9	0	0	0	107.6	A64 R66	I48-A64 PolarHBondContact N-O 3.45Å; I48-A64 PolarHBondContact O-N 2.86Å; I48-R66 HydrophobicContact CD1-CG 4.18Å
49	L	98.2	Very high	90.3	Very high	22 Å²	22	69.9 Å²	69.9	12%	0.115	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.8	179.5	-57.9	175.4	0	0	0	109.3	P51 A52 V61 R62 I63 L148 T165 H167	L49-P51 CarbonylContact O-C 3.59Å; L49-A52 WeakPolarHBondContact O-CA 3.48Å; L49-A52 WeakPolarHBondContact O-CB 3.31Å; L49-A52 PolarHBondContact O-N 3.19Å; L49-V61 HydrophobicContact CB-CG2 4.16Å; L49-V61 HydrophobicContact CD2-CG2 4.36Å; L49-R62 WeakPolarHBondContact CA-O 3.42Å; L49-I63 HydrophobicContact CD2-CB 4.3Å; L49-I63 HydrophobicContact CD2-CG1 3.79Å; L49-I63 HydrophobicContact CD2-CG2 4.22Å; L49-L148 HydrophobicContact CD2-CD1 3.99Å; L49-T165 HydrophobicContact CD1-CG2 4.05Å; L49-H167 HydrophobicContact CD1-CB 3.81Å
50	E	97.2	Very high	92.1	Very high	100 Å²	100	68 Å²	68	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.7	173.9	-73.5	177.6	176.5	0	0	109.9	R62	E50-R62 HydrophobicContact CB-CB 4.19Å; E50-R62 PolarHBondContact N-O 3.4Å; E50-R62 PolarHBondContact O-N 3.39Å; E50-R62 IonicContact OE1-NH1 3.25Å; E50-R62 IonicContact OE2-CZ 3.76Å; E50-R62 IonicContact OE2-NH1 2.71Å; E50-R62 PolarHBondContact OE2-NH1 3.34Å
51	P	95.6	Very high	93.5	Very high	65 Å²	65	62.7 Å²	62.7	42%	0.422	36%	0.364	S	S	.	.	S	Bend	cis	-67	142.7	-2.5	29.6	-35.2	0	0	0	112.8	L49 G53 C55	L49-P51 CarbonylContact O-C 3.59Å; P51-G53 VanDerWaalsContact C-N 3.32Å; P51-G53 PolarHBondContact O-N 2.99Å; P51-C55 HydrophobicContact CG-CB 4.48Å
52	A	88.1	Confident	94.6	Very high	93 Å²	93	61.4 Å²	61.4	77%	0.769	34%	0.339	S	S	*	.			trans	-77.1	-18	-178.5	0	0	0	0	0	113.9	L49	L49-A52 WeakPolarHBondContact O-CA 3.48Å; L49-A52 WeakPolarHBondContact O-CB 3.31Å; L49-A52 PolarHBondContact O-N 3.19Å
53	G	92.3	Very high	95.6	Very high	51 Å²	51	52.2 Å²	52.2	53%	0.526	31%	0.305	S	S	.	.	S	Bend	trans	-92.7	-147.1	-176	0	0	0	0	0	113.2	P51 C55	P51-G53 VanDerWaalsContact C-N 3.32Å; P51-G53 PolarHBondContact O-N 2.99Å; G53-C55 PolarHBondContact O-N 3.39Å
54	R	94	Very high	96.6	Very high	117 Å²	117	44.1 Å²	44.1	44%	0.442	27%	0.266	S	S	.	.			trans	-64.9	120.4	179.5	-168.2	178.8	-178.4	-179.2	-0.7	110.6	Y170 L172	R54-Y170 HydrophobicContact CG-CD1 4.28Å; R54-Y170 HydrophobicContact CG-CD2 3.5Å; R54-Y170 VanDerWaalsContact CG-CD2 3.5Å; R54-Y170 HydrophobicContact CG-CE1 4.43Å; R54-Y170 HydrophobicContact CG-CE2 3.72Å; R54-Y170 HydrophobicContact CG-CG 3.81Å; R54-L172 PolarHBondContact NH2-O 3.45Å
55	C	97.6	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.9	177.6	-174.9	0	0	0	0	109.9	P51 G53 R169 Y170	P51-C55 HydrophobicContact CG-CB 4.48Å; G53-C55 PolarHBondContact O-N 3.39Å; C55-R169 WeakPolarHBondContact O-CA 3.25Å; C55-R169 PolarHBondContact SG-NH1 3.44Å; C55-Y170 PolarHBondContact O-N 3.33Å
56	C	98.7	Very high	97.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	159.4	176	-63.9	0	0	0	0	111.5	D58 E59 R169 Y170 L219	C56-D58 WeakPolarHBondContact CB-OD1 3.35Å; C56-D58 PolarHBondContact O-N 2.79Å; C56-E59 HydrophobicContact CB-CG 4.04Å; C56-E59 PolarHBondContact N-OE2 2.94Å; C56-E59 PolarHBondContact O-N 3.02Å; C56-E59 VanDerWaalsContact O-N 3.17Å; C56-R169 VanDerWaalsContact O-CZ 3.31Å; C56-R169 PolarHBondContact O-NH2 3.1Å; C56-Y170 CarbonylContact C-O 3.56Å; C56-Y170 VanDerWaalsContact CA-O 3.3Å; C56-Y170 WeakPolarHBondContact CA-O 3.33Å; C56-L219 HydrophobicContact CB-CD2 4.29Å
57	W	98.8	Very high	97.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.1	-179.8	-175.7	-89.2	0	0	0	113	L80 L144 R169 Y170 F171 L219 P407 Y408 F409	W57-L80 HydrophobicContact CH2-CD1 3.79Å; W57-L80 HydrophobicContact CZ3-CD1 3.81Å; W57-L144 HydrophobicContact CE3-CB 4.33Å; W57-L144 HydrophobicContact CE3-CD1 4.17Å; W57-L144 HydrophobicContact CH2-CD1 4.14Å; W57-L144 HydrophobicContact CZ3-CB 3.91Å; W57-L144 HydrophobicContact CZ3-CD1 3.74Å; W57-L144 HydrophobicContact CZ3-CG 4.43Å; W57-R169 VanDerWaalsContact C-NH2 3.28Å; W57-R169 HydrophobicContact CE3-CB 3.69Å; W57-R169 HydrophobicContact CZ3-CB 4.26Å; W57-R169 PolarHBondContact O-NH2 2.91Å; W57-Y170 PolarHBondContact N-O 2.86Å; W57-F171 HydrophobicContact CB-CD1 4.11Å; W57-F171 HydrophobicContact CB-CE1 3.63Å; W57-F171 HydrophobicContact CB-CE2 4.09Å; W57-F171 HydrophobicContact CB-CZ 3.65Å; W57-F171 HydrophobicContact CD2-CE1 4.05Å; W57-F171 HydrophobicContact CD2-CE2 4.09Å; W57-F171 AromaticContact CD2-CZ 3.39Å; W57-F171 HydrophobicContact CD2-CZ 3.39Å; W57-F171 AromaticContact CE3-CE2 3.8Å; W57-F171 HydrophobicContact CE3-CE2 3.8Å; W57-F171 AromaticContact CE3-CZ 3.55Å; W57-F171 HydrophobicContact CE3-CZ 3.55Å; W57-F171 AromaticContact CG-CE1 3.58Å; W57-F171 HydrophobicContact CG-CE1 3.58Å; W57-F171 HydrophobicContact CG-CE2 4.21Å; W57-F171 AromaticContact CG-CZ 3.42Å; W57-F171 HydrophobicContact CG-CZ 3.42Å; W57-F171 VanDerWaalsContact CG-CZ 3.42Å; W57-F171 HydrophobicContact CZ3-CZ 4.41Å; W57-L219 HydrophobicContact CB-CD1 4.48Å; W57-L219 HydrophobicContact CB-CD2 4.43Å; W57-P407 VanDerWaalsContact CD1-O 3.23Å; W57-P407 PolarHBondContact NE1-O 3.3Å; W57-Y408 WeakPolarHBondContact CZ2-O 3Å; W57-Y408 WeakPolarHBondContact O-CD2 3.49Å; W57-F409 AromaticContact CD1-CD2 3.53Å; W57-F409 AromaticContact CD1-CE2 3.49Å; W57-F409 VanDerWaalsContact CD1-CE2 3.49Å; W57-F409 HydrophobicContact CG-CE2 4.32Å; W57-F409 AromaticContact NE1-CD2 3.16Å; W57-F409 AromaticContact NE1-CE2 3.5Å; W57-F409 AromaticContact NE1-CG 3.69Å
58	D	98.6	Very high	97.2	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.059	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	-178.6	69.7	-44.4	0	0	0	114.5	C56 L219 K223 P407 W441	C56-D58 WeakPolarHBondContact CB-OD1 3.35Å; C56-D58 PolarHBondContact O-N 2.79Å; D58-L219 HydrophobicContact CB-CD1 4.45Å; D58-K223 IonicContact OD1-NZ 3.32Å; D58-K223 WeakPolarHBondContact OD2-CE 3.31Å; D58-K223 IonicContact OD2-NZ 2.75Å; D58-K223 PolarHBondContact OD2-NZ 3.14Å; D58-P407 HydrophobicContact CB-CB 4.27Å; D58-P407 HydrophobicContact CB-CG 4.07Å; D58-W441 PolarHBondContact OD2-NE1 3.36Å
59	E	98.4	Very high	97.2	Very high	61 Å²	61	43.2 Å²	43.2	29%	0.285	25%	0.253	S	S	.	.	S	Bend	trans	-100.8	137.4	-176.6	-71.3	171.6	176.4	0	0	112.3	C56 R169	C56-E59 HydrophobicContact CB-CG 4.04Å; C56-E59 PolarHBondContact N-OE2 2.94Å; C56-E59 PolarHBondContact O-N 3.02Å; C56-E59 VanDerWaalsContact O-N 3.17Å; E59-R169 PolarHBondContact O-NH1 2.85Å; E59-R169 PolarHBondContact O-NH2 2.66Å
60	P	98.4	Very high	97.2	Very high	78 Å²	78	45.4 Å²	45.4	51%	0.506	27%	0.269	S	S	.	.			trans	-65.9	149.3	172.9	29	-34.1	0	0	0	111.1	M120	P60-M120 HydrophobicContact CB-CG 4.38Å; P60-M120 HydrophobicContact CB-SD 4.32Å
61	V	98.4	Very high	97.3	Very high	2 Å²	2	46 Å²	46	1%	0.012	27%	0.271	C	S	.	.			trans	-129.3	130.7	171.3	61.8	0	0	0	0	108.9	L49 I63 M120	L49-V61 HydrophobicContact CB-CG2 4.16Å; L49-V61 HydrophobicContact CD2-CG2 4.36Å; V61-I63 HydrophobicContact CG1-CD1 4.5Å; V61-I63 HydrophobicContact CG1-CG1 4.3Å; V61-M120 HydrophobicContact CG1-CE 4.19Å; V61-M120 HydrophobicContact CG1-SD 3.92Å; V61-M120 PolarHBondContact N-SD 2.77Å
62	R	98.7	Very high	97.4	Very high	67 Å²	67	44.5 Å²	44.5	25%	0.253	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.8	169.8	178	178.4	174.1	-145.4	6.5	108.9	L49 E50 D103 E105	L49-R62 WeakPolarHBondContact CA-O 3.42Å; E50-R62 HydrophobicContact CB-CB 4.19Å; E50-R62 PolarHBondContact N-O 3.4Å; E50-R62 PolarHBondContact O-N 3.39Å; E50-R62 IonicContact OE1-NH1 3.25Å; E50-R62 IonicContact OE2-CZ 3.76Å; E50-R62 IonicContact OE2-NH1 2.71Å; E50-R62 PolarHBondContact OE2-NH1 3.34Å; R62-D103 IonicContact CZ-OD2 2.8Å; R62-D103 IonicContact NE-OD1 2.75Å; R62-D103 PolarHBondContact NE-OD1 2.85Å; R62-D103 IonicContact NE-OD2 3.15Å; R62-D103 PolarHBondContact NE-OD2 3.49Å; R62-D103 IonicContact NH2-OD2 2.87Å; R62-D103 PolarHBondContact NH2-OD2 2.97Å; R62-E105 HydrophobicContact CB-CG 4.42Å; R62-E105 HydrophobicContact CG-CG 4.06Å
63	I	98.8	Very high	97.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.1	179.1	-57	172.5	0	0	0	108	L47 L49 V61 L104 L122 L148	L47-I63 HydrophobicContact CD2-CG2 3.88Å; L49-I63 HydrophobicContact CD2-CB 4.3Å; L49-I63 HydrophobicContact CD2-CG1 3.79Å; L49-I63 HydrophobicContact CD2-CG2 4.22Å; V61-I63 HydrophobicContact CG1-CD1 4.5Å; V61-I63 HydrophobicContact CG1-CG1 4.3Å; I63-L104 HydrophobicContact CB-CD1 3.81Å; I63-L104 HydrophobicContact CB-CG 4Å; I63-L104 HydrophobicContact CD1-CD1 4.13Å; I63-L104 HydrophobicContact CG1-CD1 4.48Å; I63-L104 HydrophobicContact CG2-CD1 4.08Å; I63-L104 HydrophobicContact CG2-CG 4.33Å; I63-L104 WeakPolarHBondContact O-CG 3.32Å; I63-L104 PolarHBondContact O-N 2.69Å; I63-L122 HydrophobicContact CD1-CD1 4.44Å; I63-L148 HydrophobicContact CD1-CD1 4.09Å; I63-L148 HydrophobicContact CD1-CD2 4.48Å
64	A	98.7	Very high	98.2	Very high	7 Å²	7	39.7 Å²	39.7	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.4	174.4	0	0	0	0	0	111.9	L47 I48 L102 D103	L47-A64 CarbonylContact C-O 3.54Å; L47-A64 WeakPolarHBondContact CA-O 3.42Å; I48-A64 PolarHBondContact N-O 3.45Å; I48-A64 PolarHBondContact O-N 2.86Å; A64-L102 CarbonylContact C-O 3.56Å; A64-L102 WeakPolarHBondContact CA-O 3.33Å; A64-D103 HydrophobicContact CB-CB 4.48Å
65	V	98.7	Very high	98.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.3	175.1	-169.5	0	0	0	0	108.3	A45 T46 L47 L68 E101 L102 V150	A45-V65 HydrophobicContact CB-CG1 4.24Å; T46-V65 WeakPolarHBondContact O-CA 3.31Å; L47-V65 HydrophobicContact CD2-CG2 3.72Å; L47-V65 HydrophobicContact CG-CG2 4.26Å; V65-L68 HydrophobicContact CB-CD1 4.21Å; V65-L68 HydrophobicContact CG1-CD1 3.93Å; V65-L68 HydrophobicContact CG1-CD2 4.17Å; V65-L68 HydrophobicContact CG1-CG 3.95Å; V65-E101 CarbonylContact O-C 3.49Å; V65-E101 VanDerWaalsContact O-CA 3.31Å; V65-E101 WeakPolarHBondContact O-CA 3.28Å; V65-L102 HydrophobicContact CB-CB 4.21Å; V65-L102 HydrophobicContact CG2-CD2 4.46Å; V65-L102 PolarHBondContact N-O 3.42Å; V65-L102 PolarHBondContact O-N 2.74Å; V65-V150 HydrophobicContact CG1-CG2 4.19Å; V65-V150 HydrophobicContact CG2-CG2 3.72Å
66	R	98.1	Very high	98.5	Very high	133 Å²	133	34.8 Å²	34.8	50%	0.502	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.8	173.3	-71.3	-176.3	176.8	165.2	-0.1	111.2	A45 T46 I48 E101	A45-R66 CarbonylContact C-O 3.54Å; A45-R66 VanDerWaalsContact CA-O 3.22Å; A45-R66 WeakPolarHBondContact CA-O 3.39Å; T46-R66 PolarHBondContact N-O 3.44Å; T46-R66 PolarHBondContact O-N 3.39Å; I48-R66 HydrophobicContact CD1-CG 4.18Å; R66-E101 HydrophobicContact CG-CG 3.98Å; R66-E101 IonicContact CZ-OE1 2.77Å; R66-E101 IonicContact NE-OE1 2.73Å; R66-E101 PolarHBondContact NE-OE1 3.2Å; R66-E101 IonicContact NH2-OE1 2.8Å; R66-E101 PolarHBondContact NH2-OE1 2.99Å
67	G	97.4	Very high	98.5	Very high	43 Å²	43	37.1 Å²	37.1	44%	0.443	20%	0.202	S	C	.	.	S	Bend	trans	83.3	18.3	175.8	0	0	0	0	0	113.9	G100	G67-G100 PolarHBondContact N-O 2.83Å
68	L	98.3	Very high	98.5	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-75.3	166.8	167.3	-60	173	0	0	0	110.1	A45 V65 Q72 V74 A96 G100 L102 V150 L162	A45-L68 HydrophobicContact CB-CD2 3.82Å; V65-L68 HydrophobicContact CB-CD1 4.21Å; V65-L68 HydrophobicContact CG1-CD1 3.93Å; V65-L68 HydrophobicContact CG1-CD2 4.17Å; V65-L68 HydrophobicContact CG1-CG 3.95Å; L68-Q72 HydrophobicContact CB-CB 4.36Å; L68-V74 HydrophobicContact CD1-CG1 4.12Å; L68-V74 HydrophobicContact CD1-CG2 4.37Å; L68-V74 HydrophobicContact CD2-CG1 4.07Å; L68-A96 HydrophobicContact CB-CB 4.06Å; L68-A96 HydrophobicContact CD1-CB 3.81Å; L68-G100 WeakPolarHBondContact CB-O 3.47Å; L68-G100 PolarHBondContact N-O 3.38Å; L68-G100 VanDerWaalsContact N-O 3.08Å; L68-G100 WeakPolarHBondContact O-CA 3.47Å; L68-L102 HydrophobicContact CD1-CB 4.2Å; L68-V150 HydrophobicContact CD2-CG1 4.44Å; L68-L162 HydrophobicContact CD2-CD1 3.71Å
69	A	97.9	Very high	98.5	Very high	48 Å²	48	37.3 Å²	37.3	40%	0.397	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-69.6	150.2	164.7	0	0	0	0	0	109.9	E71 Q72	A69-E71 PolarHBondContact O-N 2.8Å; A69-Q72 HydrophobicContact CB-CB 4.08Å; A69-Q72 WeakPolarHBondContact O-CB 3.31Å; A69-Q72 PolarHBondContact O-N 2.9Å; A69-Q72 VanDerWaalsContact O-N 3.09Å
70	P	98.3	Very high	98.5	Very high	69 Å²	69	34.5 Å²	34.5	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	130.3	172.2	-28.8	37.2	0	0	0	111.1	Q72 T98	P70-Q72 PolarHBondContact O-N 3.23Å; P70-Q72 VanDerWaalsContact O-N 3.08Å; P70-T98 WeakPolarHBondContact CB-O 3.42Å
71	E	98.4	Very high	98.5	Very high	111 Å²	111	38.1 Å²	38.1	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	20.5	178.5	-53.9	-173.6	143.4	0	0	115	A69 R95 A96 D97 T98	A69-E71 PolarHBondContact O-N 2.8Å; E71-R95 HydrophobicContact CB-CG 4.4Å; E71-R95 VanDerWaalsContact O-CG 3.25Å; E71-R95 WeakPolarHBondContact O-CG 3.3Å; E71-R95 PolarHBondContact O-NH1 3.03Å; E71-A96 VanDerWaalsContact CA-O 3.3Å; E71-A96 WeakPolarHBondContact CA-O 3.29Å; E71-D97 PolarHBondContact N-O 2.99Å; E71-T98 HydrophobicContact CG-CG2 4.36Å
72	Q	98.4	Very high	98.5	Very high	35 Å²	35	38.5 Å²	38.5	16%	0.164	20%	0.197	C	C	.	.			trans	-61.8	128.2	-179.1	-171	173.4	-2.1	0	0	111	L68 A69 P70 V74 R95 A96 D152	L68-Q72 HydrophobicContact CB-CB 4.36Å; A69-Q72 HydrophobicContact CB-CB 4.08Å; A69-Q72 WeakPolarHBondContact O-CB 3.31Å; A69-Q72 PolarHBondContact O-N 2.9Å; A69-Q72 VanDerWaalsContact O-N 3.09Å; P70-Q72 PolarHBondContact O-N 3.23Å; P70-Q72 VanDerWaalsContact O-N 3.08Å; Q72-V74 HydrophobicContact CG-CG1 4.08Å; Q72-R95 WeakPolarHBondContact O-CA 3.33Å; Q72-A96 PolarHBondContact O-N 3.16Å; Q72-D152 PolarHBondContact NE2-OD1 3.46Å
73	P	98.6	Very high	98.5	Very high	42 Å²	42	38.8 Å²	38.8	27%	0.273	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.1	169	30	-32	0	0	0	109.5	G153	P73-G153 WeakPolarHBondContact O-CA 3.39Å; P73-G153 PolarHBondContact O-N 2.78Å
74	V	98.7	Very high	98.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158	178.1	-63.7	0	0	0	0	111	L68 Q72 Y94 L102 V150 L151 G153 H154 L162	L68-V74 HydrophobicContact CD1-CG1 4.12Å; L68-V74 HydrophobicContact CD1-CG2 4.37Å; L68-V74 HydrophobicContact CD2-CG1 4.07Å; Q72-V74 HydrophobicContact CG-CG1 4.08Å; V74-Y94 PolarHBondContact N-O 2.8Å; V74-Y94 PolarHBondContact O-N 2.84Å; V74-Y94 VanDerWaalsContact O-O 3.08Å; V74-L102 HydrophobicContact CG2-CD2 3.73Å; V74-V150 HydrophobicContact CB-CG1 4.11Å; V74-V150 HydrophobicContact CG1-CG1 4.22Å; V74-V150 HydrophobicContact CG2-CG1 4.47Å; V74-L151 CarbonylContact C-O 3.58Å; V74-L151 VanDerWaalsContact CA-O 3.29Å; V74-L151 WeakPolarHBondContact CA-O 3.27Å; V74-L151 WeakPolarHBondContact CB-O 3.48Å; V74-G153 CarbonylContact C-O 3.56Å; V74-H154 PolarHBondContact O-CD2 3.42Å; V74-H154 PolarHBondContact O-NE2 2.95Å; V74-L162 HydrophobicContact CG1-CD1 3.87Å
75	T	98.8	Very high	98.5	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.086	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.5	170	-60	0	0	0	0	109	H91 L151 G153	T75-H91 HydrophobicContact CG2-CB 4.29Å; T75-L151 PolarHBondContact N-O 3.16Å; T75-L151 WeakPolarHBondContact O-CB 3.47Å; T75-L151 PolarHBondContact O-N 3.48Å; T75-G153 PolarHBondContact N-O 2.84Å; T75-G153 PolarHBondContact OG1-O 3.27Å
76	L	98.8	Very high	98.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.2	168.8	-85.1	145.2	0	0	0	109	L47 H91 A92 Y94 L102 L104 L122 E149 V150	L47-L76 HydrophobicContact CD2-CD2 4.43Å; L76-H91 CarbonylContact O-C 3.58Å; L76-H91 WeakPolarHBondContact O-CA 3.46Å; L76-H91 WeakPolarHBondContact O-CB 3.28Å; L76-A92 PolarHBondContact N-O 3.09Å; L76-A92 PolarHBondContact O-N 3.18Å; L76-Y94 HydrophobicContact CB-CD2 4.24Å; L76-Y94 HydrophobicContact CB-CE2 4.04Å; L76-Y94 HydrophobicContact CD1-CD2 3.61Å; L76-Y94 HydrophobicContact CD1-CE2 3.67Å; L76-Y94 HydrophobicContact CD1-CG 4.35Å; L76-Y94 HydrophobicContact CG-CD2 4.42Å; L76-Y94 HydrophobicContact CG-CE2 4.49Å; L76-L102 HydrophobicContact CD1-CD2 3.57Å; L76-L104 HydrophobicContact CD1-CD1 4.2Å; L76-L104 HydrophobicContact CD1-CD2 3.73Å; L76-L104 HydrophobicContact CD1-CG 4.44Å; L76-L122 HydrophobicContact CB-CD1 3.89Å; L76-L122 HydrophobicContact CB-CD2 4.38Å; L76-L122 HydrophobicContact CD2-CD1 4.4Å; L76-E149 WeakPolarHBondContact CA-O 3.24Å; L76-V150 HydrophobicContact CD2-CG2 3.78Å; L76-V150 HydrophobicContact CG-CG2 4.42Å
77	R	98.8	Very high	98.5	Very high	51 Å²	51	43.9 Å²	43.9	19%	0.192	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.9	174.9	-177.6	169.6	63.1	-144.7	-0.5	109.9	A90 H91 L148 E149 L151	R77-A90 WeakPolarHBondContact CA-O 3.35Å; R77-H91 HydrophobicContact CB-CB 4.38Å; R77-H91 HydrophobicContact CG-CB 4.48Å; R77-L148 WeakPolarHBondContact O-CA 3.41Å; R77-E149 HydrophobicContact CB-CB 4.46Å; R77-E149 IonicContact CZ-OE1 2.78Å; R77-E149 IonicContact CZ-OE2 2.97Å; R77-E149 VanDerWaalsContact CZ-OE2 3.25Å; R77-E149 PolarHBondContact N-O 2.9Å; R77-E149 IonicContact NE-OE2 2.68Å; R77-E149 PolarHBondContact NE-OE2 3.39Å; R77-E149 IonicContact NH2-OE1 2.66Å; R77-E149 PolarHBondContact NH2-OE1 2.97Å; R77-E149 IonicContact NH2-OE2 3.33Å; R77-E149 PolarHBondContact NH2-OE2 3Å; R77-E149 PolarHBondContact O-N 3.16Å; R77-L151 HydrophobicContact CB-CD1 4.07Å
78	A	98.9	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	170.2	0	0	0	0	0	109.5	Q89 A90 L122 L126 V146 E147 L148	A78-Q89 VanDerWaalsContact O-CA 3.24Å; A78-Q89 WeakPolarHBondContact O-CA 3.31Å; A78-A90 PolarHBondContact N-O 3.49Å; A78-A90 PolarHBondContact O-N 3.42Å; A78-L122 HydrophobicContact CB-CB 3.97Å; A78-L122 HydrophobicContact CB-CD2 4.39Å; A78-L122 VanDerWaalsContact CB-O 3.29Å; A78-L122 WeakPolarHBondContact CB-O 2.92Å; A78-L126 HydrophobicContact CB-CD2 4.34Å; A78-V146 HydrophobicContact CB-CG1 3.93Å; A78-E147 CarbonylContact C-O 3.54Å; A78-E147 WeakPolarHBondContact CA-O 3.37Å; A78-L148 HydrophobicContact CB-CD2 3.9Å
79	S	98.8	Very high	98.6	Very high	15 Å²	15	45.2 Å²	45.2	11%	0.105	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137	177.3	-55.2	0	0	0	0	110.7	F88 Q89 V146 E147	S79-F88 WeakPolarHBondContact CA-O 3.31Å; S79-Q89 PolarHBondContact OG-NE2 2.89Å; S79-V146 WeakPolarHBondContact O-CA 3.33Å; S79-E147 PolarHBondContact N-O 3.25Å; S79-E147 PolarHBondContact O-N 2.96Å
80	L	98.6	Very high	98.6	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.3	179.5	172.3	150.2	0	0	0	109.5	W57 D82 L87 F88 L126 L135 L144 V146	W57-L80 HydrophobicContact CH2-CD1 3.79Å; W57-L80 HydrophobicContact CZ3-CD1 3.81Å; L80-D82 HydrophobicContact CD2-CB 4.45Å; L80-L87 CarbonylContact O-C 3.49Å; L80-L87 WeakPolarHBondContact O-CA 3.36Å; L80-F88 HydrophobicContact CB-CB 4.47Å; L80-F88 HydrophobicContact CD2-CB 4.22Å; L80-F88 HydrophobicContact CD2-CD2 4.19Å; L80-F88 HydrophobicContact CD2-CG 4.47Å; L80-F88 PolarHBondContact N-O 3.24Å; L80-F88 PolarHBondContact O-N 3.46Å; L80-L126 HydrophobicContact CB-CD1 4.41Å; L80-L126 HydrophobicContact CD1-CD1 4.43Å; L80-L135 HydrophobicContact CD2-CD1 3.91Å; L80-L144 HydrophobicContact CD1-CB 3.79Å; L80-L144 HydrophobicContact CD1-CD1 4.02Å; L80-L144 HydrophobicContact CD1-CG 4.34Å; L80-V146 HydrophobicContact CD1-CG2 4Å
81	R	98.8	Very high	98.6	Very high	153 Å²	153	43.2 Å²	43.2	58%	0.577	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.5	164.3	-71.3	-173.6	-178.7	-82.7	-3.7	109.7	G85 A86 L87	R81-G85 PolarHBondContact NH1-O 3.12Å; R81-A86 VanDerWaalsContact CA-O 3.31Å; R81-A86 WeakPolarHBondContact CA-O 3.23Å; R81-L87 HydrophobicContact CG-CD1 4.25Å
82	D	98.6	Very high	98.7	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.059	19%	0.186	C	C	.	.			trans	-79.9	-178.5	176.5	83.2	-5.7	0	0	0	112	L80 K84 G85 A86 F88 L135 V136	L80-D82 HydrophobicContact CD2-CB 4.45Å; D82-K84 PolarHBondContact O-N 2.95Å; D82-K84 VanDerWaalsContact O-N 3.17Å; D82-K84 WeakPolarHBondContact OD1-CA 3.33Å; D82-K84 PolarHBondContact OD1-N 3.39Å; D82-G85 PolarHBondContact O-N 3.32Å; D82-G85 PolarHBondContact OD1-N 3.4Å; D82-A86 PolarHBondContact N-O 2.86Å; D82-A86 WeakPolarHBondContact OD1-CB 3.46Å; D82-A86 PolarHBondContact OD1-N 2.6Å; D82-F88 HydrophobicContact CB-CE2 4.47Å; D82-L135 HydrophobicContact CB-CG 4.42Å; D82-V136 WeakPolarHBondContact OD2-CB 3.36Å; D82-V136 PolarHBondContact OD2-N 2.74Å
83	E	98.5	Very high	98.7	Very high	73 Å²	73	39.9 Å²	39.9	34%	0.341	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.6	-177.7	-68.1	175.6	174.3	0	0	114.2	V136 K137 R138 D139	E83-V136 PolarHBondContact N-O 3.36Å; E83-K137 VanDerWaalsContact OE1-CD 3.32Å; E83-K137 WeakPolarHBondContact OE1-CD 3.24Å; E83-K137 WeakPolarHBondContact OE1-CE 3.47Å; E83-K137 IonicContact OE1-NZ 2.75Å; E83-K137 PolarHBondContact OE1-NZ 3.08Å; E83-R138 VanDerWaalsContact CD-N 3.33Å; E83-R138 PolarHBondContact OE1-N 3.21Å; E83-R138 WeakPolarHBondContact OE2-CA 3.49Å; E83-R138 VanDerWaalsContact OE2-CB 3.3Å; E83-R138 WeakPolarHBondContact OE2-CB 3.23Å; E83-R138 PolarHBondContact OE2-N 3.11Å; E83-D139 PolarHBondContact OE1-N 3.17Å; E83-D139 PolarHBondContact OE2-N 2.73Å
84	K	97.9	Very high	98.7	Very high	170 Å²	170	38 Å²	38	74%	0.739	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	4.8	171.5	-68	-166.7	176.7	-176.2	0	112.5	D82 A86 V136	D82-K84 PolarHBondContact O-N 2.95Å; D82-K84 VanDerWaalsContact O-N 3.17Å; D82-K84 WeakPolarHBondContact OD1-CA 3.33Å; D82-K84 PolarHBondContact OD1-N 3.39Å; K84-A86 VanDerWaalsContact C-N 3.28Å; K84-A86 PolarHBondContact O-N 3.44Å; K84-V136 HydrophobicContact CD-CG2 4.09Å; K84-V136 HydrophobicContact CG-CB 4.34Å; K84-V136 HydrophobicContact CG-CG1 4.3Å; K84-V136 HydrophobicContact CG-CG2 4.36Å
85	G	98.3	Very high	98.7	Very high	34 Å²	34	43.9 Å²	43.9	35%	0.351	20%	0.202	S	C	.	.			trans	77.9	7.6	-179	0	0	0	0	0	114.4	R81 D82	R81-G85 PolarHBondContact NH1-O 3.12Å; D82-G85 PolarHBondContact O-N 3.32Å; D82-G85 PolarHBondContact OD1-N 3.4Å
86	A	98.5	Very high	98.7	Very high	23 Å²	23	43.4 Å²	43.4	19%	0.19	20%	0.199	C	C	.	.			trans	-68.6	132.9	176.8	0	0	0	0	0	110.1	R81 D82 K84 F88 V133	R81-A86 VanDerWaalsContact CA-O 3.31Å; R81-A86 WeakPolarHBondContact CA-O 3.23Å; D82-A86 PolarHBondContact N-O 2.86Å; D82-A86 WeakPolarHBondContact OD1-CB 3.46Å; D82-A86 PolarHBondContact OD1-N 2.6Å; K84-A86 VanDerWaalsContact C-N 3.28Å; K84-A86 PolarHBondContact O-N 3.44Å; A86-F88 HydrophobicContact CB-CE2 4.2Å; A86-V133 HydrophobicContact CB-CG1 3.86Å
87	L	98.8	Very high	98.7	Very high	21 Å²	21	46 Å²	46	11%	0.11	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.2	-178.8	178.8	63.1	0	0	0	110.4	L80 R81 Q89 P128 E129	L80-L87 CarbonylContact O-C 3.49Å; L80-L87 WeakPolarHBondContact O-CA 3.36Å; R81-L87 HydrophobicContact CG-CD1 4.25Å; L87-Q89 HydrophobicContact CD1-CG 3.9Å; L87-Q89 HydrophobicContact CD2-CG 4.19Å; L87-Q89 HydrophobicContact CG-CG 3.89Å; L87-P128 WeakPolarHBondContact O-CA 3.46Å; L87-E129 HydrophobicContact CB-CB 4.09Å; L87-E129 HydrophobicContact CD2-CB 4.4Å; L87-E129 HydrophobicContact CG-CB 4.4Å; L87-E129 PolarHBondContact O-N 3.05Å
88	F	98.9	Very high	98.6	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.4	170.7	-74.4	-102.1	0	0	0	109.1	S79 L80 D82 A86 L126 E127 P128 V133 L135 P410	S79-F88 WeakPolarHBondContact CA-O 3.31Å; L80-F88 HydrophobicContact CB-CB 4.47Å; L80-F88 HydrophobicContact CD2-CB 4.22Å; L80-F88 HydrophobicContact CD2-CD2 4.19Å; L80-F88 HydrophobicContact CD2-CG 4.47Å; L80-F88 PolarHBondContact N-O 3.24Å; L80-F88 PolarHBondContact O-N 3.46Å; D82-F88 HydrophobicContact CB-CE2 4.47Å; A86-F88 HydrophobicContact CB-CE2 4.2Å; F88-L126 HydrophobicContact CB-CB 4.27Å; F88-L126 HydrophobicContact CB-CD2 4.39Å; F88-E127 CarbonylContact C-O 3.52Å; F88-E127 VanDerWaalsContact CA-O 3.25Å; F88-E127 WeakPolarHBondContact CA-O 3.25Å; F88-P128 HydrophobicContact CD1-CB 3.97Å; F88-P128 HydrophobicContact CE1-CB 3.57Å; F88-P128 HydrophobicContact CE1-CG 4.07Å; F88-P128 HydrophobicContact CE2-CB 4.37Å; F88-P128 HydrophobicContact CZ-CB 3.78Å; F88-V133 HydrophobicContact CE2-CG1 4.26Å; F88-V133 HydrophobicContact CZ-CG1 4.06Å; F88-L135 HydrophobicContact CE1-CB 4.07Å; F88-L135 HydrophobicContact CE2-CB 4.14Å; F88-L135 HydrophobicContact CE2-CG 4.39Å; F88-L135 HydrophobicContact CZ-CB 3.73Å; F88-L135 HydrophobicContact CZ-CG 4.44Å; F88-P410 HydrophobicContact CD1-CG 4.33Å; F88-P410 HydrophobicContact CE1-CG 4.43Å
89	Q	98.8	Very high	98.6	Very high	72 Å²	72	54.7 Å²	54.7	34%	0.336	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.5	-178.8	-62	-172.1	-74.9	0	0	113	A78 S79 L87 E127	A78-Q89 VanDerWaalsContact O-CA 3.24Å; A78-Q89 WeakPolarHBondContact O-CA 3.31Å; S79-Q89 PolarHBondContact OG-NE2 2.89Å; L87-Q89 HydrophobicContact CD1-CG 3.9Å; L87-Q89 HydrophobicContact CD2-CG 4.19Å; L87-Q89 HydrophobicContact CG-CG 3.89Å; Q89-E127 PolarHBondContact N-O 3.02Å; Q89-E127 PolarHBondContact O-N 2.87Å
90	A	98.8	Very high	98.6	Very high	1 Å²	1	54 Å²	54	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.1	169	0	0	0	0	0	108.6	R77 A78 A125 L126	R77-A90 WeakPolarHBondContact CA-O 3.35Å; A78-A90 PolarHBondContact N-O 3.49Å; A78-A90 PolarHBondContact O-N 3.42Å; A90-A125 HydrophobicContact CB-CB 4.41Å; A90-L126 HydrophobicContact CB-CD2 4.07Å; A90-L126 HydrophobicContact CB-CG 4.49Å
91	H	98.8	Very high	98.5	Very high	74 Å²	74	55.5 Å²	55.5	34%	0.343	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.9	172.6	73.9	-75.6	0	0	0	111.6	T75 L76 R77 S113	T75-H91 HydrophobicContact CG2-CB 4.29Å; L76-H91 CarbonylContact O-C 3.58Å; L76-H91 WeakPolarHBondContact O-CA 3.46Å; L76-H91 WeakPolarHBondContact O-CB 3.28Å; R77-H91 HydrophobicContact CB-CB 4.38Å; R77-H91 HydrophobicContact CG-CB 4.48Å; H91-S113 PolarHBondContact N-OG 2.84Å; H91-S113 WeakPolarHBondContact O-CB 3.47Å; H91-S113 PolarHBondContact O-N 3.44Å; H91-S113 PolarHBondContact O-OG 2.81Å
92	A	98.8	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144	172.2	0	0	0	0	0	111.1	L76 Y94 A109 G111 F114	L76-A92 PolarHBondContact N-O 3.09Å; L76-A92 PolarHBondContact O-N 3.18Å; A92-Y94 HydrophobicContact CB-CD2 4.29Å; A92-Y94 HydrophobicContact CB-CE2 3.42Å; A92-Y94 VanDerWaalsContact CB-CE2 3.42Å; A92-Y94 VanDerWaalsContact O-CD2 3.23Å; A92-Y94 WeakPolarHBondContact O-CD2 3.41Å; A92-Y94 WeakPolarHBondContact O-CE2 3.44Å; A92-A109 HydrophobicContact CB-CB 3.89Å; A92-G111 WeakPolarHBondContact CA-O 3.28Å; A92-F114 HydrophobicContact CB-CD1 4.39Å; A92-F114 HydrophobicContact CB-CE1 3.74Å; A92-F114 HydrophobicContact CB-CE2 4.03Å; A92-F114 HydrophobicContact CB-CZ 3.53Å
93	R	98.8	Very high	98.6	Very high	77 Å²	77	48.1 Å²	48.1	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.2	177.3	-68.9	-178.4	-64.2	-79.8	-0.5	110	L110 G111 H154	R93-L110 HydrophobicContact CB-CB 4.42Å; R93-L110 WeakPolarHBondContact O-CB 3.39Å; R93-L110 PolarHBondContact O-N 3.21Å; R93-G111 PolarHBondContact N-O 3.01Å; R93-H154 HydrophobicContact CG-CB 4.42Å
94	Y	98.8	Very high	98.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	169.2	-179.8	-63.1	-91.4	0	0	0	111.2	V74 L76 A92 L102 L104 A109 F114 H154	V74-Y94 PolarHBondContact N-O 2.8Å; V74-Y94 PolarHBondContact O-N 2.84Å; V74-Y94 VanDerWaalsContact O-O 3.08Å; L76-Y94 HydrophobicContact CB-CD2 4.24Å; L76-Y94 HydrophobicContact CB-CE2 4.04Å; L76-Y94 HydrophobicContact CD1-CD2 3.61Å; L76-Y94 HydrophobicContact CD1-CE2 3.67Å; L76-Y94 HydrophobicContact CD1-CG 4.35Å; L76-Y94 HydrophobicContact CG-CD2 4.42Å; L76-Y94 HydrophobicContact CG-CE2 4.49Å; A92-Y94 HydrophobicContact CB-CD2 4.29Å; A92-Y94 HydrophobicContact CB-CE2 3.42Å; A92-Y94 VanDerWaalsContact CB-CE2 3.42Å; A92-Y94 VanDerWaalsContact O-CD2 3.23Å; A92-Y94 WeakPolarHBondContact O-CD2 3.41Å; A92-Y94 WeakPolarHBondContact O-CE2 3.44Å; Y94-L102 HydrophobicContact CD1-CD1 4.02Å; Y94-L102 HydrophobicContact CD2-CD2 4.41Å; Y94-L102 HydrophobicContact CG-CD1 4.09Å; Y94-L102 HydrophobicContact CG-CD2 4.02Å; Y94-L104 HydrophobicContact CD1-CD2 4.01Å; Y94-L104 HydrophobicContact CE1-CD2 3.61Å; Y94-L104 HydrophobicContact CE2-CD2 4.21Å; Y94-L104 HydrophobicContact CG-CD2 4.45Å; Y94-A109 HydrophobicContact CD1-CB 4.46Å; Y94-A109 VanDerWaalsContact CE1-CA 3.41Å; Y94-A109 HydrophobicContact CE1-CB 3.69Å; Y94-F114 WeakPolarHBondContact OH-CE2 3.47Å; Y94-F114 VanDerWaalsContact OH-CZ 3.3Å; Y94-F114 WeakPolarHBondContact OH-CZ 3.46Å; Y94-H154 PolarHBondContact O-CE1 2.77Å; Y94-H154 PolarHBondContact O-NE2 2.88Å
95	R	98.8	Very high	98.6	Very high	123 Å²	123	41.1 Å²	41.1	46%	0.464	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.5	170	-171.1	175	-69.7	-86.5	2.3	108.3	E71 Q72 L110	E71-R95 HydrophobicContact CB-CG 4.4Å; E71-R95 VanDerWaalsContact O-CG 3.25Å; E71-R95 WeakPolarHBondContact O-CG 3.3Å; E71-R95 PolarHBondContact O-NH1 3.03Å; Q72-R95 WeakPolarHBondContact O-CA 3.33Å; R95-L110 HydrophobicContact CB-CD1 4.29Å
96	A	98.6	Very high	98.6	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	23%	0.226	C	C	.	.			trans	-62.1	159.9	171.9	0	0	0	0	0	110.6	L68 E71 Q72 E101	L68-A96 HydrophobicContact CB-CB 4.06Å; L68-A96 HydrophobicContact CD1-CB 3.81Å; E71-A96 VanDerWaalsContact CA-O 3.3Å; E71-A96 WeakPolarHBondContact CA-O 3.29Å; Q72-A96 PolarHBondContact O-N 3.16Å; A96-E101 CarbonylContact C-O 3.54Å; A96-E101 WeakPolarHBondContact CA-O 3.33Å
97	D	98.5	Very high	98.6	Very high	56 Å²	56	47.8 Å²	47.8	30%	0.299	23%	0.225	S	C	.	.			trans	-76.9	-175.6	171.4	71.5	11.8	0	0	0	112.1	E71 L99 G100 E101	E71-D97 PolarHBondContact N-O 2.99Å; D97-L99 PolarHBondContact O-N 2.87Å; D97-L99 WeakPolarHBondContact OD1-CA 3.37Å; D97-L99 WeakPolarHBondContact OD1-CB 3.29Å; D97-L99 PolarHBondContact OD1-N 3.46Å; D97-G100 PolarHBondContact O-N 2.74Å; D97-G100 PolarHBondContact OD1-N 2.78Å; D97-E101 VanDerWaalsContact CG-O 3.31Å; D97-E101 PolarHBondContact N-O 3.15Å; D97-E101 PolarHBondContact OD1-N 2.81Å
98	T	98.3	Very high	98.6	Very high	97 Å²	97	49.9 Å²	49.9	60%	0.595	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.7	179.6	54.9	0	0	0	0	113.6	P70 E71	P70-T98 WeakPolarHBondContact CB-O 3.42Å; E71-T98 HydrophobicContact CG-CG2 4.36Å
99	L	97.8	Very high	98.6	Very high	135 Å²	135	50 Å²	50	71%	0.707	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.5	174.3	-58.2	178.5	0	0	0	112.1	D97	D97-L99 PolarHBondContact O-N 2.87Å; D97-L99 WeakPolarHBondContact OD1-CA 3.37Å; D97-L99 WeakPolarHBondContact OD1-CB 3.29Å; D97-L99 PolarHBondContact OD1-N 3.46Å
100	G	98.1	Very high	98.6	Very high	1 Å²	1	51 Å²	51	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	75.5	29.4	-173.5	0	0	0	0	0	112.4	G67 L68 D97	G67-G100 PolarHBondContact N-O 2.83Å; L68-G100 WeakPolarHBondContact CB-O 3.47Å; L68-G100 PolarHBondContact N-O 3.38Å; L68-G100 VanDerWaalsContact N-O 3.08Å; L68-G100 WeakPolarHBondContact O-CA 3.47Å; D97-G100 PolarHBondContact O-N 2.74Å; D97-G100 PolarHBondContact OD1-N 2.78Å
101	E	98.5	Very high	98.6	Very high	34 Å²	34	51.5 Å²	51.5	16%	0.159	25%	0.253	C	S	.	.			trans	-106.9	141.3	172.7	-171.3	167	-155.5	0	0	110.1	V65 R66 A96 D97	V65-E101 CarbonylContact O-C 3.49Å; V65-E101 VanDerWaalsContact O-CA 3.31Å; V65-E101 WeakPolarHBondContact O-CA 3.28Å; R66-E101 HydrophobicContact CG-CG 3.98Å; R66-E101 IonicContact CZ-OE1 2.77Å; R66-E101 IonicContact NE-OE1 2.73Å; R66-E101 PolarHBondContact NE-OE1 3.2Å; R66-E101 IonicContact NH2-OE1 2.8Å; R66-E101 PolarHBondContact NH2-OE1 2.99Å; A96-E101 CarbonylContact C-O 3.54Å; A96-E101 WeakPolarHBondContact CA-O 3.33Å; D97-E101 VanDerWaalsContact CG-O 3.31Å; D97-E101 PolarHBondContact N-O 3.15Å; D97-E101 PolarHBondContact OD1-N 2.81Å
102	L	98.8	Very high	98.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.5	171.6	171.8	62.5	0	0	0	107.8	A64 V65 L68 V74 L76 Y94 L104 A107	A64-L102 CarbonylContact C-O 3.56Å; A64-L102 WeakPolarHBondContact CA-O 3.33Å; V65-L102 HydrophobicContact CB-CB 4.21Å; V65-L102 HydrophobicContact CG2-CD2 4.46Å; V65-L102 PolarHBondContact N-O 3.42Å; V65-L102 PolarHBondContact O-N 2.74Å; L68-L102 HydrophobicContact CD1-CB 4.2Å; V74-L102 HydrophobicContact CG2-CD2 3.73Å; L76-L102 HydrophobicContact CD1-CD2 3.57Å; Y94-L102 HydrophobicContact CD1-CD1 4.02Å; Y94-L102 HydrophobicContact CD2-CD2 4.41Å; Y94-L102 HydrophobicContact CG-CD1 4.09Å; Y94-L102 HydrophobicContact CG-CD2 4.02Å; L102-L104 HydrophobicContact CD1-CD2 4.2Å; L102-L104 HydrophobicContact CD2-CD2 4.31Å; L102-L104 HydrophobicContact CG-CD2 4.06Å; L102-A107 HydrophobicContact CD1-CB 3.47Å; L102-A107 VanDerWaalsContact CD1-CB 3.47Å
103	D	98.8	Very high	98.5	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.7	178.8	178.6	-5.9	0	0	0	108.9	R62 A64 E105 R106 A107	R62-D103 IonicContact CZ-OD2 2.8Å; R62-D103 IonicContact NE-OD1 2.75Å; R62-D103 PolarHBondContact NE-OD1 2.85Å; R62-D103 IonicContact NE-OD2 3.15Å; R62-D103 PolarHBondContact NE-OD2 3.49Å; R62-D103 IonicContact NH2-OD2 2.87Å; R62-D103 PolarHBondContact NH2-OD2 2.97Å; A64-D103 HydrophobicContact CB-CB 4.48Å; D103-E105 PolarHBondContact O-N 2.93Å; D103-E105 PolarHBondContact OD1-N 2.84Å; D103-E105 VanDerWaalsContact OD1-N 3.12Å; D103-R106 HydrophobicContact CB-CB 4.25Å; D103-R106 HydrophobicContact CB-CG 4.31Å; D103-R106 PolarHBondContact O-N 3.48Å; D103-R106 WeakPolarHBondContact OD2-CD 3.25Å; D103-A107 WeakPolarHBondContact O-CB 3.07Å; D103-A107 PolarHBondContact O-N 3.36Å
104	L	98.7	Very high	98.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.8	-172	-57.9	-162.4	0	0	0	113.8	I63 L76 Y94 L102 R106 L122	I63-L104 HydrophobicContact CB-CD1 3.81Å; I63-L104 HydrophobicContact CB-CG 4Å; I63-L104 HydrophobicContact CD1-CD1 4.13Å; I63-L104 HydrophobicContact CG1-CD1 4.48Å; I63-L104 HydrophobicContact CG2-CD1 4.08Å; I63-L104 HydrophobicContact CG2-CG 4.33Å; I63-L104 WeakPolarHBondContact O-CG 3.32Å; I63-L104 PolarHBondContact O-N 2.69Å; L76-L104 HydrophobicContact CD1-CD1 4.2Å; L76-L104 HydrophobicContact CD1-CD2 3.73Å; L76-L104 HydrophobicContact CD1-CG 4.44Å; Y94-L104 HydrophobicContact CD1-CD2 4.01Å; Y94-L104 HydrophobicContact CE1-CD2 3.61Å; Y94-L104 HydrophobicContact CE2-CD2 4.21Å; Y94-L104 HydrophobicContact CG-CD2 4.45Å; L102-L104 HydrophobicContact CD1-CD2 4.2Å; L102-L104 HydrophobicContact CD2-CD2 4.31Å; L102-L104 HydrophobicContact CG-CD2 4.06Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-L122 HydrophobicContact CD1-CD1 3.83Å
105	E	98.6	Very high	98.5	Very high	94 Å²	94	51.2 Å²	51.2	44%	0.439	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.7	169.3	-70.4	-171.9	178.4	0	0	113.5	R62 D103 P119	R62-E105 HydrophobicContact CB-CG 4.42Å; R62-E105 HydrophobicContact CG-CG 4.06Å; D103-E105 PolarHBondContact O-N 2.93Å; D103-E105 PolarHBondContact OD1-N 2.84Å; D103-E105 VanDerWaalsContact OD1-N 3.12Å; E105-P119 HydrophobicContact CG-CB 3.88Å; E105-P119 HydrophobicContact CG-CG 3.92Å
106	R	98.6	Very high	98.5	Very high	176 Å²	176	46.8 Å²	46.8	66%	0.664	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-33.4	-175.4	-59.5	176.8	66.4	-166.4	-2.8	113.1	D103 L104	D103-R106 HydrophobicContact CB-CB 4.25Å; D103-R106 HydrophobicContact CB-CG 4.31Å; D103-R106 PolarHBondContact O-N 3.48Å; D103-R106 WeakPolarHBondContact OD2-CD 3.25Å; L104-R106 VanDerWaalsContact C-N 3.3Å
107	A	98.6	Very high	98.5	Very high	21 Å²	21	50.9 Å²	50.9	17%	0.174	29%	0.292	C	S	.	.	S	Bend	trans	-101.1	122.7	-176.4	0	0	0	0	0	110.8	L102 D103	L102-A107 HydrophobicContact CD1-CB 3.47Å; L102-A107 VanDerWaalsContact CD1-CB 3.47Å; D103-A107 WeakPolarHBondContact O-CB 3.07Å; D103-A107 PolarHBondContact O-N 3.36Å
108	P	98.8	Very high	98.5	Very high	65 Å²	65	49.2 Å²	49.2	42%	0.422	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-72.4	144.5	177.4	30.5	-34.4	0	0	0	111.4	G116	P108-G116 CarbonylContact C-O 3.32Å; P108-G116 WeakPolarHBondContact CA-O 3.35Å
109	A	98.8	Very high	98.5	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.041	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-64.2	132.5	164.2	0	0	0	0	0	109.8	A92 Y94 G111 F114 A115 G116	A92-A109 HydrophobicContact CB-CB 3.89Å; Y94-A109 HydrophobicContact CD1-CB 4.46Å; Y94-A109 VanDerWaalsContact CE1-CA 3.41Å; Y94-A109 HydrophobicContact CE1-CB 3.69Å; A109-G111 VanDerWaalsContact C-N 3.34Å; A109-F114 HydrophobicContact CB-CD2 3.84Å; A109-F114 HydrophobicContact CB-CE2 3.59Å; A109-F114 HydrophobicContact CB-CZ 4.44Å; A109-A115 WeakPolarHBondContact O-CA 3.5Å; A109-G116 PolarHBondContact N-O 2.86Å; A109-G116 PolarHBondContact O-N 2.82Å
110	L	98.8	Very high	98.6	Very high	95 Å²	95	40.6 Å²	40.6	50%	0.497	24%	0.235	S	C	.	.			trans	-88.7	-4	-179	-55.2	176.9	0	0	0	112.6	R93 R95	R93-L110 HydrophobicContact CB-CB 4.42Å; R93-L110 WeakPolarHBondContact O-CB 3.39Å; R93-L110 PolarHBondContact O-N 3.21Å; R95-L110 HydrophobicContact CB-CD1 4.29Å
111	G	97.8	Very high	98.6	Very high	10 Å²	10	40.5 Å²	40.5	10%	0.103	24%	0.235	C	C	.	.	S	Bend	trans	136.4	171.9	-179.7	0	0	0	0	0	112.6	A92 R93 A109 F114	A92-G111 WeakPolarHBondContact CA-O 3.28Å; R93-G111 PolarHBondContact N-O 3.01Å; A109-G111 VanDerWaalsContact C-N 3.34Å; G111-F114 CarbonylContact C-O 3.58Å; G111-F114 VanDerWaalsContact C-O 3.32Å; G111-F114 WeakPolarHBondContact CA-O 3.45Å
112	G	98.1	Very high	98.6	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	130.2	-138.8	-168.1	0	0	0	0	0	108.4	F114	G112-F114 PolarHBondContact O-N 2.79Å
113	S	98.5	Very high	98.7	Very high	39 Å²	39	39 Å²	39	27%	0.273	23%	0.227	S	C	.	.	S	Bend	trans	-60.6	-23.8	170.8	-57.5	0	0	0	0	112.8	H91	H91-S113 PolarHBondContact N-OG 2.84Å; H91-S113 WeakPolarHBondContact O-CB 3.47Å; H91-S113 PolarHBondContact O-N 3.44Å; H91-S113 PolarHBondContact O-OG 2.81Å
114	F	98.8	Very high	98.7	Very high	15 Å²	15	39 Å²	39	7%	0.066	23%	0.227	C	C	.	.			trans	-154.9	173	175.8	62.1	-83.8	0	0	0	110.8	A92 Y94 A109 G111 G112 E118 G121 L122 W124 A125	A92-F114 HydrophobicContact CB-CD1 4.39Å; A92-F114 HydrophobicContact CB-CE1 3.74Å; A92-F114 HydrophobicContact CB-CE2 4.03Å; A92-F114 HydrophobicContact CB-CZ 3.53Å; Y94-F114 WeakPolarHBondContact OH-CE2 3.47Å; Y94-F114 VanDerWaalsContact OH-CZ 3.3Å; Y94-F114 WeakPolarHBondContact OH-CZ 3.46Å; A109-F114 HydrophobicContact CB-CD2 3.84Å; A109-F114 HydrophobicContact CB-CE2 3.59Å; A109-F114 HydrophobicContact CB-CZ 4.44Å; G111-F114 CarbonylContact C-O 3.58Å; G111-F114 VanDerWaalsContact C-O 3.32Å; G111-F114 WeakPolarHBondContact CA-O 3.45Å; G112-F114 PolarHBondContact O-N 2.79Å; F114-E118 HydrophobicContact CD2-CB 3.75Å; F114-E118 HydrophobicContact CD2-CG 4.25Å; F114-E118 HydrophobicContact CE2-CB 3.88Å; F114-G121 WeakPolarHBondContact CE1-O 3.26Å; F114-G121 VanDerWaalsContact CZ-C 3.47Å; F114-G121 VanDerWaalsContact CZ-CA 3.48Å; F114-L122 HydrophobicContact CE1-CD2 4.06Å; F114-L122 HydrophobicContact CE1-CG 4.21Å; F114-L122 HydrophobicContact CZ-CD2 4.26Å; F114-L122 HydrophobicContact CZ-CG 4.07Å; F114-W124 HydrophobicContact CB-CH2 3.66Å; F114-W124 HydrophobicContact CB-CZ2 4.02Å; F114-W124 HydrophobicContact CG-CH2 4.31Å; F114-W124 HydrophobicContact CG-CZ2 4.26Å; F114-A125 HydrophobicContact CD1-CB 3.77Å
115	A	98.8	Very high	98.7	Very high	59 Å²	59	39.3 Å²	39.3	49%	0.488	23%	0.23	S	C	.	.			trans	-143.1	163.4	175.7	0	0	0	0	0	110.8	A109	A109-A115 WeakPolarHBondContact O-CA 3.5Å
116	G	98.7	Very high	98.7	Very high	29 Å²	29	35 Å²	35	30%	0.299	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	90.7	-175.8	-179.2	0	0	0	0	0	113.8	P108 A109 E118	P108-G116 CarbonylContact C-O 3.32Å; P108-G116 WeakPolarHBondContact CA-O 3.35Å; A109-G116 PolarHBondContact N-O 2.86Å; A109-G116 PolarHBondContact O-N 2.82Å; G116-E118 PolarHBondContact O-N 2.91Å
117	L	98.8	Very high	98.7	Very high	91 Å²	91	32.1 Å²	32.1	48%	0.476	20%	0.204	S	C	.	.	S	Bend	trans	-80.4	86.2	-179.6	-169.5	66	0	0	0	110.1
118	E	98.7	Very high	98.7	Very high	20 Å²	20	33 Å²	33	9%	0.093	21%	0.207	C	C	.	.			trans	-127.8	82.5	-173.1	-64.7	-65.2	167	0	0	110.1	F114 G116 M120 G121 W124 R431	F114-E118 HydrophobicContact CD2-CB 3.75Å; F114-E118 HydrophobicContact CD2-CG 4.25Å; F114-E118 HydrophobicContact CE2-CB 3.88Å; G116-E118 PolarHBondContact O-N 2.91Å; E118-M120 PolarHBondContact O-N 2.9Å; E118-M120 VanDerWaalsContact O-N 3.14Å; E118-G121 PolarHBondContact O-N 3.42Å; E118-W124 HydrophobicContact CB-CZ2 4.38Å; E118-W124 HydrophobicContact CG-CZ2 4.29Å; E118-R431 IonicContact OE1-CZ 3.96Å; E118-R431 IonicContact OE1-NE 3.53Å; E118-R431 PolarHBondContact OE1-NE 2.86Å; E118-R431 IonicContact OE1-NH2 3.06Å; E118-R431 PolarHBondContact OE1-NH2 2.74Å
119	P	98.7	Very high	98.6	Very high	38 Å²	38	35.6 Å²	35.6	25%	0.247	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.6	-170.4	-24.7	33.8	0	0	0	113.4	E105	E105-P119 HydrophobicContact CG-CB 3.88Å; E105-P119 HydrophobicContact CG-CG 3.92Å
120	M	98.8	Very high	98.6	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.064	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9.5	-179.9	-65.1	-60.3	-69.2	0	0	113.6	P60 V61 E118 L122 L123 W124 Y408	P60-M120 HydrophobicContact CB-CG 4.38Å; P60-M120 HydrophobicContact CB-SD 4.32Å; V61-M120 HydrophobicContact CG1-CE 4.19Å; V61-M120 HydrophobicContact CG1-SD 3.92Å; V61-M120 PolarHBondContact N-SD 2.77Å; E118-M120 PolarHBondContact O-N 2.9Å; E118-M120 VanDerWaalsContact O-N 3.14Å; M120-L122 VanDerWaalsContact C-N 3.27Å; M120-L122 PolarHBondContact O-N 2.91Å; M120-L123 HydrophobicContact CE-CB 4.43Å; M120-L123 HydrophobicContact CE-CD1 3.86Å; M120-L123 HydrophobicContact CE-CD2 3.6Å; M120-L123 HydrophobicContact CE-CG 4.18Å; M120-L123 PolarHBondContact O-N 2.86Å; M120-L123 HydrophobicContact SD-CD1 4.38Å; M120-W124 VanDerWaalsContact C-CD1 3.42Å; M120-W124 PolarHBondContact O-N 2.84Å; M120-W124 VanDerWaalsContact O-N 3.16Å; M120-Y408 HydrophobicContact CB-CD1 3.94Å; M120-Y408 HydrophobicContact CB-CE1 3.58Å; M120-Y408 HydrophobicContact CE-CD1 4.02Å; M120-Y408 HydrophobicContact CE-CD2 3.93Å; M120-Y408 HydrophobicContact CE-CE1 3.97Å; M120-Y408 HydrophobicContact CE-CE2 3.86Å; M120-Y408 HydrophobicContact CE-CG 3.99Å; M120-Y408 HydrophobicContact CG-CD1 4.35Å; M120-Y408 HydrophobicContact CG-CE1 3.65Å
121	G	98.8	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.5	-38.7	-177.5	0	0	0	0	0	114	F114 E118 L123 W124 A125	F114-G121 WeakPolarHBondContact CE1-O 3.26Å; F114-G121 VanDerWaalsContact CZ-C 3.47Å; F114-G121 VanDerWaalsContact CZ-CA 3.48Å; E118-G121 PolarHBondContact O-N 3.42Å; G121-L123 PolarHBondContact O-N 2.75Å; G121-L123 VanDerWaalsContact O-N 3.11Å; G121-W124 VanDerWaalsContact CA-NE1 3.29Å; G121-A125 WeakPolarHBondContact O-CB 3.45Å; G121-A125 PolarHBondContact O-N 3.05Å
122	L	98.9	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-14.5	178.2	-70.8	172.3	0	0	0	114	I63 L76 A78 L104 F114 M120	I63-L122 HydrophobicContact CD1-CD1 4.44Å; L76-L122 HydrophobicContact CB-CD1 3.89Å; L76-L122 HydrophobicContact CB-CD2 4.38Å; L76-L122 HydrophobicContact CD2-CD1 4.4Å; A78-L122 HydrophobicContact CB-CB 3.97Å; A78-L122 HydrophobicContact CB-CD2 4.39Å; A78-L122 VanDerWaalsContact CB-O 3.29Å; A78-L122 WeakPolarHBondContact CB-O 2.92Å; L104-L122 HydrophobicContact CD1-CD1 3.83Å; F114-L122 HydrophobicContact CE1-CD2 4.06Å; F114-L122 HydrophobicContact CE1-CG 4.21Å; F114-L122 HydrophobicContact CZ-CD2 4.26Å; F114-L122 HydrophobicContact CZ-CG 4.07Å; M120-L122 VanDerWaalsContact C-N 3.27Å; M120-L122 PolarHBondContact O-N 2.91Å
123	L	98.9	Very high	98.3	Very high	3 Å²	3	45 Å²	45	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-101.3	-53	175.8	-71.3	82.9	0	0	0	111.6	M120 G121 A125 L126	M120-L123 HydrophobicContact CE-CB 4.43Å; M120-L123 HydrophobicContact CE-CD1 3.86Å; M120-L123 HydrophobicContact CE-CD2 3.6Å; M120-L123 HydrophobicContact CE-CG 4.18Å; M120-L123 PolarHBondContact O-N 2.86Å; M120-L123 HydrophobicContact SD-CD1 4.38Å; G121-L123 PolarHBondContact O-N 2.75Å; G121-L123 VanDerWaalsContact O-N 3.11Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 2.65Å; L123-L126 WeakPolarHBondContact O-CB 3.41Å; L123-L126 WeakPolarHBondContact O-CD1 3.05Å; L123-L126 WeakPolarHBondContact O-CG 3.35Å; L123-L126 PolarHBondContact O-N 2.75Å
124	W	98.8	Very high	98.3	Very high	10 Å²	10	46.4 Å²	46.4	4%	0.038	25%	0.253	C	S	.	.	H	α-helix	trans	-72	-23.9	-174.4	67	-112.5	0	0	0	113	F114 E118 M120 G121 L126 P430 R431 A434	F114-W124 HydrophobicContact CB-CH2 3.66Å; F114-W124 HydrophobicContact CB-CZ2 4.02Å; F114-W124 HydrophobicContact CG-CH2 4.31Å; F114-W124 HydrophobicContact CG-CZ2 4.26Å; E118-W124 HydrophobicContact CB-CZ2 4.38Å; E118-W124 HydrophobicContact CG-CZ2 4.29Å; M120-W124 VanDerWaalsContact C-CD1 3.42Å; M120-W124 PolarHBondContact O-N 2.84Å; M120-W124 VanDerWaalsContact O-N 3.16Å; G121-W124 VanDerWaalsContact CA-NE1 3.29Å; W124-L126 VanDerWaalsContact C-N 3.31Å; W124-P430 HydrophobicContact CE3-CB 4.39Å; W124-P430 HydrophobicContact CZ3-CB 3.91Å; W124-R431 HydrophobicContact CH2-CB 3.9Å; W124-R431 HydrophobicContact CH2-CG 4.23Å; W124-R431 HydrophobicContact CZ2-CB 4.46Å; W124-R431 HydrophobicContact CZ2-CG 4.32Å; W124-R431 HydrophobicContact CZ3-CB 4.18Å; W124-A434 HydrophobicContact CB-CB 3.64Å; W124-A434 HydrophobicContact CD2-CB 3.87Å; W124-A434 HydrophobicContact CE3-CB 4.04Å; W124-A434 HydrophobicContact CG-CB 3.7Å
125	A	98.8	Very high	98.3	Very high	8 Å²	8	46.5 Å²	46.5	7%	0.066	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	13	177.3	0	0	0	0	0	113.4	A90 F114 G121 L123 E127	A90-A125 HydrophobicContact CB-CB 4.41Å; F114-A125 HydrophobicContact CD1-CB 3.77Å; G121-A125 WeakPolarHBondContact O-CB 3.45Å; G121-A125 PolarHBondContact O-N 3.05Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 2.65Å; A125-E127 PolarHBondContact O-N 2.94Å
126	L	98.9	Very high	98.3	Very high	3 Å²	3	45 Å²	45	2%	0.016	24%	0.239	C	C	.	.			trans	-60.5	123.7	174.4	-77.3	172.7	0	0	0	110.3	A78 L80 F88 A90 L123 W124 P410	A78-L126 HydrophobicContact CB-CD2 4.34Å; L80-L126 HydrophobicContact CB-CD1 4.41Å; L80-L126 HydrophobicContact CD1-CD1 4.43Å; F88-L126 HydrophobicContact CB-CB 4.27Å; F88-L126 HydrophobicContact CB-CD2 4.39Å; A90-L126 HydrophobicContact CB-CD2 4.07Å; A90-L126 HydrophobicContact CB-CG 4.49Å; L123-L126 WeakPolarHBondContact O-CB 3.41Å; L123-L126 WeakPolarHBondContact O-CD1 3.05Å; L123-L126 WeakPolarHBondContact O-CG 3.35Å; L123-L126 PolarHBondContact O-N 2.75Å; W124-L126 VanDerWaalsContact C-N 3.31Å; L126-P410 HydrophobicContact CB-CB 4.03Å; L126-P410 HydrophobicContact CB-CG 4.26Å; L126-P410 WeakPolarHBondContact O-CB 3.31Å
127	E	98.8	Very high	98.3	Very high	115 Å²	115	43.8 Å²	43.8	54%	0.537	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.8	175.1	-67.3	-177.9	122.9	0	0	110.1	F88 Q89 A125	F88-E127 CarbonylContact C-O 3.52Å; F88-E127 VanDerWaalsContact CA-O 3.25Å; F88-E127 WeakPolarHBondContact CA-O 3.25Å; Q89-E127 PolarHBondContact N-O 3.02Å; Q89-E127 PolarHBondContact O-N 2.87Å; A125-E127 PolarHBondContact O-N 2.94Å
128	P	98.4	Very high	98.2	Very high	39 Å²	39	45 Å²	45	25%	0.253	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.1	176.5	30.3	-34.8	0	0	0	110.6	L87 F88 K130 V133	L87-P128 WeakPolarHBondContact O-CA 3.46Å; F88-P128 HydrophobicContact CD1-CB 3.97Å; F88-P128 HydrophobicContact CE1-CB 3.57Å; F88-P128 HydrophobicContact CE1-CG 4.07Å; F88-P128 HydrophobicContact CE2-CB 4.37Å; F88-P128 HydrophobicContact CZ-CB 3.78Å; P128-K130 WeakPolarHBondContact CB-O 3.23Å; P128-K130 PolarHBondContact O-N 3.31Å; P128-V133 HydrophobicContact CB-CB 3.98Å
129	E	97.9	Very high	98.2	Very high	120 Å²	120	46 Å²	46	56%	0.561	23%	0.23	S	C	*	.	S	Bend	trans	-57.7	-38.1	171.1	178.8	-168.7	-117.7	0	0	111.2	L87	L87-E129 HydrophobicContact CB-CB 4.09Å; L87-E129 HydrophobicContact CD2-CB 4.4Å; L87-E129 HydrophobicContact CG-CB 4.4Å; L87-E129 PolarHBondContact O-N 3.05Å
130	K	97.4	Very high	98.2	Very high	136 Å²	136	44.3 Å²	44.3	59%	0.591	22%	0.218	S	C	*	.	S	Bend	trans	-99.4	124.9	178.8	-65.9	-179.6	-175.8	-179.1	0	109.7	P128 V133	P128-K130 WeakPolarHBondContact CB-O 3.23Å; P128-K130 PolarHBondContact O-N 3.31Å; K130-V133 HydrophobicContact CB-CG2 3.77Å; K130-V133 WeakPolarHBondContact O-CB 3.24Å; K130-V133 WeakPolarHBondContact O-CG2 3.48Å
131	P	95.3	Very high	98.2	Very high	102 Å²	102	50.9 Å²	50.9	66%	0.662	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	153.3	175.7	-25.7	33.7	0	0	0	112.4	V133	P131-V133 PolarHBondContact O-N 2.82Å; P131-V133 VanDerWaalsContact O-N 3.15Å
132	L	96.2	Very high	98.2	Very high	63 Å²	63	53.9 Å²	53.9	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	6.2	175.7	-50	175.7	0	0	0	115.8	Y331 A414 P423	L132-Y331 HydrophobicContact CD1-CE1 4.49Å; L132-Y331 HydrophobicContact CD2-CD1 4.4Å; L132-Y331 HydrophobicContact CD2-CE1 3.66Å; L132-A414 WeakPolarHBondContact CA-O 3.44Å; L132-A414 HydrophobicContact CD2-CB 3.66Å; L132-P423 HydrophobicContact CD1-CB 3.87Å; L132-P423 HydrophobicContact CD1-CG 3.76Å; L132-P423 HydrophobicContact CD2-CB 4.21Å
133	V	97.9	Very high	98.2	Very high	41 Å²	41	55.5 Å²	55.5	25%	0.248	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-86.2	121	176.2	177.5	0	0	0	0	110.2	A86 F88 P128 K130 P131	A86-V133 HydrophobicContact CB-CG1 3.86Å; F88-V133 HydrophobicContact CE2-CG1 4.26Å; F88-V133 HydrophobicContact CZ-CG1 4.06Å; P128-V133 HydrophobicContact CB-CB 3.98Å; K130-V133 HydrophobicContact CB-CG2 3.77Å; K130-V133 WeakPolarHBondContact O-CB 3.24Å; K130-V133 WeakPolarHBondContact O-CG2 3.48Å; P131-V133 PolarHBondContact O-N 2.82Å; P131-V133 VanDerWaalsContact O-N 3.15Å
134	R	98	Very high	98.2	Very high	69 Å²	69	55.7 Å²	55.7	26%	0.26	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-92.2	138	169.1	-172.7	165	168.8	-110.7	-4.5	109.8	V136 E405 C412	R134-V136 PolarHBondContact O-N 3.23Å; R134-E405 IonicContact CZ-OE1 3.81Å; R134-E405 IonicContact NH2-OE1 2.73Å; R134-E405 PolarHBondContact NH2-OE1 2.86Å; R134-C412 HydrophobicContact CB-CB 4.2Å; R134-C412 HydrophobicContact CG-CB 3.87Å
135	L	98.5	Very high	98.2	Very high	18 Å²	18	56 Å²	56	9%	0.094	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-57.9	126.4	-178.9	-174.1	148.4	0	0	0	111	L80 D82 F88 K137 L144 F409 P410	L80-L135 HydrophobicContact CD2-CD1 3.91Å; D82-L135 HydrophobicContact CB-CG 4.42Å; F88-L135 HydrophobicContact CE1-CB 4.07Å; F88-L135 HydrophobicContact CE2-CB 4.14Å; F88-L135 HydrophobicContact CE2-CG 4.39Å; F88-L135 HydrophobicContact CZ-CB 3.73Å; F88-L135 HydrophobicContact CZ-CG 4.44Å; L135-K137 HydrophobicContact CD2-CB 4.14Å; L135-L144 HydrophobicContact CD2-CD1 4.05Å; L135-F409 HydrophobicContact CD2-CD1 4.21Å; L135-F409 HydrophobicContact CD2-CE1 3.86Å; L135-P410 HydrophobicContact CB-CG 4.38Å; L135-P410 HydrophobicContact CD1-CG 3.9Å
136	V	98.5	Very high	98.2	Very high	27 Å²	27	55.7 Å²	55.7	16%	0.164	28%	0.275	C	S	.	.			trans	-101.6	107.3	179.4	-176.5	0	0	0	0	110.8	D82 E83 K84 R134 R138	D82-V136 WeakPolarHBondContact OD2-CB 3.36Å; D82-V136 PolarHBondContact OD2-N 2.74Å; E83-V136 PolarHBondContact N-O 3.36Å; K84-V136 HydrophobicContact CD-CG2 4.09Å; K84-V136 HydrophobicContact CG-CB 4.34Å; K84-V136 HydrophobicContact CG-CG1 4.3Å; K84-V136 HydrophobicContact CG-CG2 4.36Å; R134-V136 PolarHBondContact O-N 3.23Å; V136-R138 HydrophobicContact CG1-CG 3.86Å
137	K	98.6	Very high	98.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.017	29%	0.287	C	S	.	.			trans	-121.9	112.5	164.1	-174.3	69.5	-170.3	155.2	0	110.4	E83 L135 D139 T142 L144 F171 Y215	E83-K137 VanDerWaalsContact OE1-CD 3.32Å; E83-K137 WeakPolarHBondContact OE1-CD 3.24Å; E83-K137 WeakPolarHBondContact OE1-CE 3.47Å; E83-K137 IonicContact OE1-NZ 2.75Å; E83-K137 PolarHBondContact OE1-NZ 3.08Å; L135-K137 HydrophobicContact CD2-CB 4.14Å; K137-D139 WeakPolarHBondContact CE-O 3.2Å; K137-D139 PolarHBondContact NZ-O 3.36Å; K137-T142 WeakPolarHBondContact CE-O 3.41Å; K137-T142 PolarHBondContact NZ-O 3.42Å; K137-T142 PolarHBondContact NZ-OG1 2.89Å; K137-L144 HydrophobicContact CB-CD1 4.43Å; K137-L144 HydrophobicContact CD-CD1 4.02Å; K137-L144 HydrophobicContact CD-CD2 4.14Å; K137-L144 HydrophobicContact CD-CG 3.87Å; K137-F171 HydrophobicContact CB-CZ 4.35Å; K137-F171 HydrophobicContact CD-CD2 3.85Å; K137-F171 HydrophobicContact CD-CE2 3.71Å; K137-F171 HydrophobicContact CD-CG 4.4Å; K137-F171 HydrophobicContact CD-CZ 4.16Å; K137-F171 HydrophobicContact CG-CD1 4.06Å; K137-F171 HydrophobicContact CG-CD2 3.95Å; K137-F171 HydrophobicContact CG-CE1 3.91Å; K137-F171 HydrophobicContact CG-CE2 3.78Å; K137-F171 HydrophobicContact CG-CG 4.06Å; K137-F171 HydrophobicContact CG-CZ 3.74Å; K137-Y215 WeakPolarHBondContact O-CD1 3.23Å
138	R	97.9	Very high	98.2	Very high	115 Å²	115	53 Å²	53	43%	0.434	26%	0.262	S	S	.	.			trans	-119.3	-41.1	-179.2	-60.2	-65.5	-178.4	148.4	-5.4	111.7	E83 V136 V140 L213	E83-R138 VanDerWaalsContact CD-N 3.33Å; E83-R138 PolarHBondContact OE1-N 3.21Å; E83-R138 WeakPolarHBondContact OE2-CA 3.49Å; E83-R138 VanDerWaalsContact OE2-CB 3.3Å; E83-R138 WeakPolarHBondContact OE2-CB 3.23Å; E83-R138 PolarHBondContact OE2-N 3.11Å; V136-R138 HydrophobicContact CG1-CG 3.86Å; R138-V140 PolarHBondContact O-N 2.73Å; R138-L213 VanDerWaalsContact CD-CD2 3.47Å
139	D	98.8	Very high	98.2	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.23	26%	0.258	C	S	.	.			trans	-89.5	95.1	179.5	-169.5	-9.7	0	0	0	111.6	E83 K137 R141 T142	E83-D139 PolarHBondContact OE1-N 3.17Å; E83-D139 PolarHBondContact OE2-N 2.73Å; K137-D139 WeakPolarHBondContact CE-O 3.2Å; K137-D139 PolarHBondContact NZ-O 3.36Å; D139-R141 VanDerWaalsContact CG-NH2 3.31Å; D139-R141 PolarHBondContact O-N 2.8Å; D139-R141 VanDerWaalsContact O-N 3.1Å; D139-R141 VanDerWaalsContact OD1-CB 3.26Å; D139-R141 WeakPolarHBondContact OD1-CB 3.46Å; D139-R141 WeakPolarHBondContact OD1-CG 3.49Å; D139-R141 IonicContact OD1-CZ 3.42Å; D139-R141 PolarHBondContact OD1-N 2.71Å; D139-R141 IonicContact OD1-NE 3.5Å; D139-R141 PolarHBondContact OD1-NE 3.25Å; D139-R141 IonicContact OD1-NH2 3.94Å; D139-R141 PolarHBondContact OD1-NH2 3.27Å; D139-R141 IonicContact OD2-CZ 3.45Å; D139-R141 IonicContact OD2-NE 3.33Å; D139-R141 PolarHBondContact OD2-NE 3.29Å; D139-R141 IonicContact OD2-NH2 2.74Å; D139-R141 PolarHBondContact OD2-NH2 2.88Å; D139-T142 PolarHBondContact O-N 2.83Å; D139-T142 PolarHBondContact O-OG1 3.31Å
140	V	98.8	Very high	98.3	Very high	1 Å²	1	47 Å²	47	1%	0.006	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	-178.9	-59.6	0	0	0	0	114.4	R138 T142 F171 L172 F191 E214 S218	R138-V140 PolarHBondContact O-N 2.73Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 2.75Å; V140-F171 HydrophobicContact CB-CB 3.97Å; V140-F171 HydrophobicContact CG1-CB 4.28Å; V140-L172 PolarHBondContact O-N 2.89Å; V140-F191 HydrophobicContact CG2-CE1 3.83Å; V140-F191 HydrophobicContact CG2-CZ 3.83Å; V140-E214 HydrophobicContact CG1-CB 3.65Å; V140-E214 HydrophobicContact CG2-CB 4.34Å; V140-S218 WeakPolarHBondContact CG1-OG 3.36Å
141	R	98.7	Very high	98.3	Very high	152 Å²	152	40.9 Å²	40.9	57%	0.574	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.9	-177.2	-58.6	167.2	-67.8	-175.7	2.7	112.4	D139	D139-R141 VanDerWaalsContact CG-NH2 3.31Å; D139-R141 PolarHBondContact O-N 2.8Å; D139-R141 VanDerWaalsContact O-N 3.1Å; D139-R141 VanDerWaalsContact OD1-CB 3.26Å; D139-R141 WeakPolarHBondContact OD1-CB 3.46Å; D139-R141 WeakPolarHBondContact OD1-CG 3.49Å; D139-R141 IonicContact OD1-CZ 3.42Å; D139-R141 PolarHBondContact OD1-N 2.71Å; D139-R141 IonicContact OD1-NE 3.5Å; D139-R141 PolarHBondContact OD1-NE 3.25Å; D139-R141 IonicContact OD1-NH2 3.94Å; D139-R141 PolarHBondContact OD1-NH2 3.27Å; D139-R141 IonicContact OD2-CZ 3.45Å; D139-R141 IonicContact OD2-NE 3.33Å; D139-R141 PolarHBondContact OD2-NE 3.29Å; D139-R141 IonicContact OD2-NH2 2.74Å; D139-R141 PolarHBondContact OD2-NH2 2.88Å
142	T	98.7	Very high	98.5	Very high	62 Å²	62	39 Å²	39	38%	0.38	19%	0.189	S	C	.	.	S	Bend	trans	-108.4	145.4	178.9	57.4	0	0	0	0	110.7	K137 D139 V140	K137-T142 WeakPolarHBondContact CE-O 3.41Å; K137-T142 PolarHBondContact NZ-O 3.42Å; K137-T142 PolarHBondContact NZ-OG1 2.89Å; D139-T142 PolarHBondContact O-N 2.83Å; D139-T142 PolarHBondContact O-OG1 3.31Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 2.75Å
143	P	98.7	Very high	98.5	Very high	34 Å²	34	36.6 Å²	36.6	22%	0.221	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-73.5	167.4	174.2	31.6	-34.5	0	0	0	111.6	E168 R169 Y170	P143-E168 HydrophobicContact CB-CB 3.99Å; P143-E168 HydrophobicContact CG-CB 4.13Å; P143-E168 HydrophobicContact CG-CG 4.27Å; P143-R169 CarbonylContact C-O 3.51Å; P143-R169 WeakPolarHBondContact CA-O 3.38Å; P143-R169 VanDerWaalsContact CB-O 3.31Å; P143-R169 WeakPolarHBondContact CB-O 3.46Å; P143-Y170 HydrophobicContact CB-CD1 4.06Å; P143-Y170 HydrophobicContact CB-CD2 4.11Å; P143-Y170 HydrophobicContact CB-CE1 4.13Å; P143-Y170 HydrophobicContact CB-CE2 4.15Å; P143-Y170 HydrophobicContact CB-CG 4.07Å; P143-Y170 HydrophobicContact CG-CD1 4.43Å; P143-Y170 HydrophobicContact CG-CE1 4.05Å; P143-Y170 HydrophobicContact CG-CE2 4.48Å
144	L	98.8	Very high	98.5	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.6	154.6	-71.6	171.6	0	0	0	108.4	W57 L80 L135 K137 R169 F171	W57-L144 HydrophobicContact CE3-CB 4.33Å; W57-L144 HydrophobicContact CE3-CD1 4.17Å; W57-L144 HydrophobicContact CH2-CD1 4.14Å; W57-L144 HydrophobicContact CZ3-CB 3.91Å; W57-L144 HydrophobicContact CZ3-CD1 3.74Å; W57-L144 HydrophobicContact CZ3-CG 4.43Å; L80-L144 HydrophobicContact CD1-CB 3.79Å; L80-L144 HydrophobicContact CD1-CD1 4.02Å; L80-L144 HydrophobicContact CD1-CG 4.34Å; L135-L144 HydrophobicContact CD2-CD1 4.05Å; K137-L144 HydrophobicContact CB-CD1 4.43Å; K137-L144 HydrophobicContact CD-CD1 4.02Å; K137-L144 HydrophobicContact CD-CD2 4.14Å; K137-L144 HydrophobicContact CD-CG 3.87Å; L144-R169 PolarHBondContact N-O 3.45Å; L144-R169 PolarHBondContact O-N 3.5Å; L144-F171 HydrophobicContact CB-CE2 4.23Å; L144-F171 HydrophobicContact CD1-CE2 3.71Å; L144-F171 HydrophobicContact CD1-CZ 3.84Å; L144-F171 HydrophobicContact CG-CE2 3.79Å; L144-F171 HydrophobicContact CG-CZ 4.44Å
145	A	98.7	Very high	98.3	Very high	18 Å²	18	39.8 Å²	39.8	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.4	175	0	0	0	0	0	110.1	R166	A145-R166 HydrophobicContact CB-CG 3.94Å
146	V	98.8	Very high	97.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112	170.5	-176	0	0	0	0	107.5	A78 S79 L80 L148 H167	A78-V146 HydrophobicContact CB-CG1 3.93Å; S79-V146 WeakPolarHBondContact O-CA 3.33Å; L80-V146 HydrophobicContact CD1-CG2 4Å; V146-L148 HydrophobicContact CG1-CD2 3.98Å; V146-L148 HydrophobicContact CG1-CG 4.33Å; V146-H167 PolarHBondContact N-O 3.48Å; V146-H167 PolarHBondContact O-N 2.9Å
147	E	98.8	Very high	97.3	Very high	60 Å²	60	50.3 Å²	50.3	28%	0.28	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.7	171	-58.1	-63.8	164.3	0	0	108.2	A78 S79 R166	A78-E147 CarbonylContact C-O 3.54Å; A78-E147 WeakPolarHBondContact CA-O 3.37Å; S79-E147 PolarHBondContact N-O 3.25Å; S79-E147 PolarHBondContact O-N 2.96Å; E147-R166 WeakPolarHBondContact OE1-CD 3.05Å; E147-R166 VanDerWaalsContact OE1-CG 3.29Å; E147-R166 WeakPolarHBondContact OE1-CG 3.36Å; E147-R166 IonicContact OE1-CZ 3.76Å; E147-R166 IonicContact OE1-NE 3.48Å; E147-R166 IonicContact OE1-NH1 3.47Å; E147-R166 PolarHBondContact OE1-NH1 3.21Å; E147-R166 WeakPolarHBondContact OE2-CB 3.36Å
148	L	98.8	Very high	96.5	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.6	179.5	-64.8	171.8	0	0	0	109.1	L47 L49 I63 R77 A78 V146 Q164 T165 H167	L47-L148 HydrophobicContact CD1-CB 4.46Å; L49-L148 HydrophobicContact CD2-CD1 3.99Å; I63-L148 HydrophobicContact CD1-CD1 4.09Å; I63-L148 HydrophobicContact CD1-CD2 4.48Å; R77-L148 WeakPolarHBondContact O-CA 3.41Å; A78-L148 HydrophobicContact CB-CD2 3.9Å; V146-L148 HydrophobicContact CG1-CD2 3.98Å; V146-L148 HydrophobicContact CG1-CG 4.33Å; L148-Q164 CarbonylContact O-C 3.6Å; L148-Q164 WeakPolarHBondContact O-CA 3.4Å; L148-T165 HydrophobicContact CB-CG2 4.13Å; L148-T165 HydrophobicContact CD1-CG2 4.13Å; L148-T165 PolarHBondContact N-O 2.68Å; L148-T165 PolarHBondContact O-N 3.33Å; L148-H167 HydrophobicContact CD1-CB 4.25Å
149	E	98.8	Very high	96	Very high	33 Å²	33	50 Å²	50	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.5	-178.6	-62.8	171.7	93.6	0	0	110.2	L76 R77 L151 L161 Q164	L76-E149 WeakPolarHBondContact CA-O 3.24Å; R77-E149 HydrophobicContact CB-CB 4.46Å; R77-E149 IonicContact CZ-OE1 2.78Å; R77-E149 IonicContact CZ-OE2 2.97Å; R77-E149 VanDerWaalsContact CZ-OE2 3.25Å; R77-E149 PolarHBondContact N-O 2.9Å; R77-E149 IonicContact NE-OE2 2.68Å; R77-E149 PolarHBondContact NE-OE2 3.39Å; R77-E149 IonicContact NH2-OE1 2.66Å; R77-E149 PolarHBondContact NH2-OE1 2.97Å; R77-E149 IonicContact NH2-OE2 3.33Å; R77-E149 PolarHBondContact NH2-OE2 3Å; R77-E149 PolarHBondContact O-N 3.16Å; E149-L151 HydrophobicContact CB-CG 4.49Å; E149-L161 HydrophobicContact CB-CD1 3.82Å; E149-L161 HydrophobicContact CG-CD1 4.1Å; E149-Q164 HydrophobicContact CG-CB 4.37Å
150	V	98.8	Very high	95.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.3	167.9	-173.5	0	0	0	0	108.3	L47 V65 L68 V74 L76 L162 C163	L47-V150 HydrophobicContact CD1-CG2 3.87Å; L47-V150 HydrophobicContact CD2-CG2 4.08Å; L47-V150 HydrophobicContact CG-CG2 3.92Å; V65-V150 HydrophobicContact CG1-CG2 4.19Å; V65-V150 HydrophobicContact CG2-CG2 3.72Å; L68-V150 HydrophobicContact CD2-CG1 4.44Å; V74-V150 HydrophobicContact CB-CG1 4.11Å; V74-V150 HydrophobicContact CG1-CG1 4.22Å; V74-V150 HydrophobicContact CG2-CG1 4.47Å; L76-V150 HydrophobicContact CD2-CG2 3.78Å; L76-V150 HydrophobicContact CG-CG2 4.42Å; V150-L162 HydrophobicContact CB-CB 4.44Å; V150-L162 HydrophobicContact CG1-CB 4.34Å; V150-L162 HydrophobicContact CG1-CD1 4.19Å; V150-L162 WeakPolarHBondContact O-CB 3.34Å; V150-L162 PolarHBondContact O-N 3.12Å; V150-C163 VanDerWaalsContact CG2-SG 3.53Å; V150-C163 PolarHBondContact N-O 2.95Å
151	L	98.6	Very high	95.8	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.2	-176.4	-57.2	154.2	0	0	0	109.3	V74 T75 R77 E149 P158 L161	V74-L151 CarbonylContact C-O 3.58Å; V74-L151 VanDerWaalsContact CA-O 3.29Å; V74-L151 WeakPolarHBondContact CA-O 3.27Å; V74-L151 WeakPolarHBondContact CB-O 3.48Å; T75-L151 PolarHBondContact N-O 3.16Å; T75-L151 WeakPolarHBondContact O-CB 3.47Å; T75-L151 PolarHBondContact O-N 3.48Å; R77-L151 HydrophobicContact CB-CD1 4.07Å; E149-L151 HydrophobicContact CB-CG 4.49Å; L151-P158 HydrophobicContact CD1-CB 4.17Å; L151-P158 HydrophobicContact CD2-CB 4.27Å; L151-L161 HydrophobicContact CD2-CB 4.5Å; L151-L161 HydrophobicContact CD2-CD1 4.11Å
152	D	98.3	Very high	95.8	Very high	62 Å²	62	55 Å²	55	33%	0.332	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.8	177.1	-164.2	24	0	0	0	111.4	Q72 G159 R160 L162	Q72-D152 PolarHBondContact NE2-OD1 3.46Å; D152-G159 WeakPolarHBondContact O-CA 3.35Å; D152-R160 HydrophobicContact CB-CB 4.45Å; D152-R160 PolarHBondContact N-O 2.91Å; D152-L162 HydrophobicContact CB-CD1 4.15Å; D152-L162 HydrophobicContact CB-CD2 3.97Å; D152-L162 HydrophobicContact CB-CG 4.07Å
153	G	97.4	Very high	95.8	Very high	13 Å²	13	53 Å²	53	13%	0.134	29%	0.29	C	S	.	.	S	Bend	trans	81.5	-178.5	174	0	0	0	0	0	116	P73 V74 T75	P73-G153 WeakPolarHBondContact O-CA 3.39Å; P73-G153 PolarHBondContact O-N 2.78Å; V74-G153 CarbonylContact C-O 3.56Å; T75-G153 PolarHBondContact N-O 2.84Å; T75-G153 PolarHBondContact OG1-O 3.27Å
154	H	98.1	Very high	95.8	Very high	57 Å²	57	57.1 Å²	57.1	26%	0.264	31%	0.307	S	S	.	.	S	Bend	trans	-119.8	6.8	-177.5	-74.6	174	0	0	0	112.9	V74 R93 Y94	V74-H154 PolarHBondContact O-CD2 3.42Å; V74-H154 PolarHBondContact O-NE2 2.95Å; R93-H154 HydrophobicContact CG-CB 4.42Å; Y94-H154 PolarHBondContact O-CE1 2.77Å; Y94-H154 PolarHBondContact O-NE2 2.88Å
155	D	93.6	Very high	95.7	Very high	120 Å²	120	58.9 Å²	58.9	64%	0.642	32%	0.318	S	S	*	.			trans	-62.6	149.4	-179	-64.1	-42.9	0	0	0	110.7	D157	D155-D157 PolarHBondContact O-N 3.18Å
156	P	86.6	Confident	95.7	Very high	132 Å²	132	65 Å²	65	86%	0.857	34%	0.337	S	S	*	.	S	Bend	trans	-59.2	-36.4	177.2	-24.1	34.2	0	0	0	112.7
157	D	88.6	Confident	95.7	Very high	134 Å²	134	65.4 Å²	65.4	72%	0.717	34%	0.339	S	S	*	.	S	Bend	trans	-81	129.5	172.4	-66.3	-43.7	0	0	0	109.5	D155 G159	D155-D157 PolarHBondContact O-N 3.18Å; D157-G159 PolarHBondContact O-N 3.08Å; D157-G159 VanDerWaalsContact O-N 3.13Å
158	P	82	Confident	95.7	Very high	81 Å²	81	66.1 Å²	66.1	53%	0.526	34%	0.342	S	S	.	.			trans	-56.7	121.1	-177.9	-24.5	33.3	0	0	0	111.6	L151	L151-P158 HydrophobicContact CD1-CB 4.17Å; L151-P158 HydrophobicContact CD2-CB 4.27Å
159	G	87.4	Confident	95.7	Very high	31 Å²	31	66 Å²	66	32%	0.32	34%	0.342	S	S	.	.			trans	-68.2	-172.3	171.3	0	0	0	0	0	112.6	D152 D157 L161	D152-G159 WeakPolarHBondContact O-CA 3.35Å; D157-G159 PolarHBondContact O-N 3.08Å; D157-G159 VanDerWaalsContact O-N 3.13Å; G159-L161 PolarHBondContact O-N 3.26Å
160	R	96.3	Very high	95.7	Very high	198 Å²	198	66.8 Å²	66.8	75%	0.747	34%	0.344	S	S	*	.			trans	-58.8	134.5	-179.4	177.8	-177.6	169.3	-157.7	-2.7	111.1	D152 L162	D152-R160 HydrophobicContact CB-CB 4.45Å; D152-R160 PolarHBondContact N-O 2.91Å; R160-L162 PolarHBondContact O-N 3.18Å
161	L	97.9	Very high	95.7	Very high	67 Å²	67	66.8 Å²	66.8	35%	0.351	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	121	170.4	-175.1	68	0	0	0	110.7	E149 L151 G159 C163 Q164	E149-L161 HydrophobicContact CB-CD1 3.82Å; E149-L161 HydrophobicContact CG-CD1 4.1Å; L151-L161 HydrophobicContact CD2-CB 4.5Å; L151-L161 HydrophobicContact CD2-CD1 4.11Å; G159-L161 PolarHBondContact O-N 3.26Å; L161-C163 WeakPolarHBondContact CD1-O 3.28Å; L161-Q164 HydrophobicContact CD1-CB 4.38Å; L161-Q164 HydrophobicContact CD2-CB 4.41Å; L161-Q164 HydrophobicContact CD2-CG 4.33Å
162	L	98.1	Very high	95.7	Very high	37 Å²	37	67.9 Å²	67.9	19%	0.194	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-44.5	178.6	-60.4	-178.7	0	0	0	111.5	A45 L68 V74 V150 D152 R160	A45-L162 HydrophobicContact CB-CB 4.37Å; L68-L162 HydrophobicContact CD2-CD1 3.71Å; V74-L162 HydrophobicContact CG1-CD1 3.87Å; V150-L162 HydrophobicContact CB-CB 4.44Å; V150-L162 HydrophobicContact CG1-CB 4.34Å; V150-L162 HydrophobicContact CG1-CD1 4.19Å; V150-L162 WeakPolarHBondContact O-CB 3.34Å; V150-L162 PolarHBondContact O-N 3.12Å; D152-L162 HydrophobicContact CB-CD1 4.15Å; D152-L162 HydrophobicContact CB-CD2 3.97Å; D152-L162 HydrophobicContact CB-CG 4.07Å; R160-L162 PolarHBondContact O-N 3.18Å
163	C	98.3	Very high	95.7	Very high	18 Å²	18	65.2 Å²	65.2	12%	0.122	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.2	172.4	62.6	0	0	0	0	110.7	A45 V150 L161	A45-C163 HydrophobicContact CB-CB 4.36Å; A45-C163 WeakPolarHBondContact O-CB 3.49Å; V150-C163 VanDerWaalsContact CG2-SG 3.53Å; V150-C163 PolarHBondContact N-O 2.95Å; L161-C163 WeakPolarHBondContact CD1-O 3.28Å
164	Q	98.4	Very high	95.7	Very high	122 Å²	122	66.6 Å²	66.6	57%	0.57	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	154.5	176.5	61.9	-175.1	-24.4	0	0	110.7	L148 E149 L161	L148-Q164 CarbonylContact O-C 3.6Å; L148-Q164 WeakPolarHBondContact O-CA 3.4Å; E149-Q164 HydrophobicContact CG-CB 4.37Å; L161-Q164 HydrophobicContact CD1-CB 4.38Å; L161-Q164 HydrophobicContact CD2-CB 4.41Å; L161-Q164 HydrophobicContact CD2-CG 4.33Å
165	T	98.4	Very high	95.7	Very high	44 Å²	44	66.1 Å²	66.1	27%	0.27	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	158.1	168.4	-162.4	0	0	0	0	110.5	L47 L49 L148	L47-T165 HydrophobicContact CB-CG2 4.06Å; L47-T165 HydrophobicContact CD1-CG2 3.96Å; L49-T165 HydrophobicContact CD1-CG2 4.05Å; L148-T165 HydrophobicContact CB-CG2 4.13Å; L148-T165 HydrophobicContact CD1-CG2 4.13Å; L148-T165 PolarHBondContact N-O 2.68Å; L148-T165 PolarHBondContact O-N 3.33Å
166	R	98.3	Very high	96	Very high	146 Å²	146	60.9 Å²	60.9	55%	0.551	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.6	174.7	-176.3	179.2	175.9	125.1	-9.8	109.2	A145 E147	A145-R166 HydrophobicContact CB-CG 3.94Å; E147-R166 WeakPolarHBondContact OE1-CD 3.05Å; E147-R166 VanDerWaalsContact OE1-CG 3.29Å; E147-R166 WeakPolarHBondContact OE1-CG 3.36Å; E147-R166 IonicContact OE1-CZ 3.76Å; E147-R166 IonicContact OE1-NE 3.48Å; E147-R166 IonicContact OE1-NH1 3.47Å; E147-R166 PolarHBondContact OE1-NH1 3.21Å; E147-R166 WeakPolarHBondContact OE2-CB 3.36Å
167	H	98.5	Very high	96.6	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.046	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.6	177.6	-178	-145.3	0	0	0	110.5	L49 V146 L148 R169	L49-H167 HydrophobicContact CD1-CB 3.81Å; V146-H167 PolarHBondContact N-O 3.48Å; V146-H167 PolarHBondContact O-N 2.9Å; L148-H167 HydrophobicContact CD1-CB 4.25Å; H167-R169 PolarHBondContact CE1-NH1 2.94Å
168	E	98.6	Very high	97	Very high	74 Å²	74	54 Å²	54	35%	0.346	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.4	176.6	-66	-171.1	148.2	0	0	111.5	P143 Y170	P143-E168 HydrophobicContact CB-CB 3.99Å; P143-E168 HydrophobicContact CG-CB 4.13Å; P143-E168 HydrophobicContact CG-CG 4.27Å; E168-Y170 HydrophobicContact CB-CD2 4.38Å; E168-Y170 HydrophobicContact CB-CE2 3.63Å; E168-Y170 PolarHBondContact OE2-OH 3.48Å
169	R	98.8	Very high	97.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.3	179	-62.3	-169.5	65.3	76.5	-11.5	110.7	C55 C56 W57 E59 P143 L144 H167	C55-R169 WeakPolarHBondContact O-CA 3.25Å; C55-R169 PolarHBondContact SG-NH1 3.44Å; C56-R169 VanDerWaalsContact O-CZ 3.31Å; C56-R169 PolarHBondContact O-NH2 3.1Å; W57-R169 VanDerWaalsContact C-NH2 3.28Å; W57-R169 HydrophobicContact CE3-CB 3.69Å; W57-R169 HydrophobicContact CZ3-CB 4.26Å; W57-R169 PolarHBondContact O-NH2 2.91Å; E59-R169 PolarHBondContact O-NH1 2.85Å; E59-R169 PolarHBondContact O-NH2 2.66Å; P143-R169 CarbonylContact C-O 3.51Å; P143-R169 WeakPolarHBondContact CA-O 3.38Å; P143-R169 VanDerWaalsContact CB-O 3.31Å; P143-R169 WeakPolarHBondContact CB-O 3.46Å; L144-R169 PolarHBondContact N-O 3.45Å; L144-R169 PolarHBondContact O-N 3.5Å; H167-R169 PolarHBondContact CE1-NH1 2.94Å
170	Y	98.8	Very high	98.4	Very high	50 Å²	50	54.6 Å²	54.6	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149	-168.1	-71.7	-101.1	0	0	0	112.5	R54 C55 C56 W57 P143 E168	R54-Y170 HydrophobicContact CG-CD1 4.28Å; R54-Y170 HydrophobicContact CG-CD2 3.5Å; R54-Y170 VanDerWaalsContact CG-CD2 3.5Å; R54-Y170 HydrophobicContact CG-CE1 4.43Å; R54-Y170 HydrophobicContact CG-CE2 3.72Å; R54-Y170 HydrophobicContact CG-CG 3.81Å; C55-Y170 PolarHBondContact O-N 3.33Å; C56-Y170 CarbonylContact C-O 3.56Å; C56-Y170 VanDerWaalsContact CA-O 3.3Å; C56-Y170 WeakPolarHBondContact CA-O 3.33Å; W57-Y170 PolarHBondContact N-O 2.86Å; P143-Y170 HydrophobicContact CB-CD1 4.06Å; P143-Y170 HydrophobicContact CB-CD2 4.11Å; P143-Y170 HydrophobicContact CB-CE1 4.13Å; P143-Y170 HydrophobicContact CB-CE2 4.15Å; P143-Y170 HydrophobicContact CB-CG 4.07Å; P143-Y170 HydrophobicContact CG-CD1 4.43Å; P143-Y170 HydrophobicContact CG-CE1 4.05Å; P143-Y170 HydrophobicContact CG-CE2 4.48Å; E168-Y170 HydrophobicContact CB-CD2 4.38Å; E168-Y170 HydrophobicContact CB-CE2 3.63Å; E168-Y170 PolarHBondContact OE2-OH 3.48Å
171	F	98.8	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-107.1	-22.9	176.8	-74.5	-90.3	0	0	0	113.3	W57 K137 V140 L144 P173 S218 L219 F409	W57-F171 HydrophobicContact CB-CD1 4.11Å; W57-F171 HydrophobicContact CB-CE1 3.63Å; W57-F171 HydrophobicContact CB-CE2 4.09Å; W57-F171 HydrophobicContact CB-CZ 3.65Å; W57-F171 HydrophobicContact CD2-CE1 4.05Å; W57-F171 HydrophobicContact CD2-CE2 4.09Å; W57-F171 AromaticContact CD2-CZ 3.39Å; W57-F171 HydrophobicContact CD2-CZ 3.39Å; W57-F171 AromaticContact CE3-CE2 3.8Å; W57-F171 HydrophobicContact CE3-CE2 3.8Å; W57-F171 AromaticContact CE3-CZ 3.55Å; W57-F171 HydrophobicContact CE3-CZ 3.55Å; W57-F171 AromaticContact CG-CE1 3.58Å; W57-F171 HydrophobicContact CG-CE1 3.58Å; W57-F171 HydrophobicContact CG-CE2 4.21Å; W57-F171 AromaticContact CG-CZ 3.42Å; W57-F171 HydrophobicContact CG-CZ 3.42Å; W57-F171 VanDerWaalsContact CG-CZ 3.42Å; W57-F171 HydrophobicContact CZ3-CZ 4.41Å; K137-F171 HydrophobicContact CB-CZ 4.35Å; K137-F171 HydrophobicContact CD-CD2 3.85Å; K137-F171 HydrophobicContact CD-CE2 3.71Å; K137-F171 HydrophobicContact CD-CG 4.4Å; K137-F171 HydrophobicContact CD-CZ 4.16Å; K137-F171 HydrophobicContact CG-CD1 4.06Å; K137-F171 HydrophobicContact CG-CD2 3.95Å; K137-F171 HydrophobicContact CG-CE1 3.91Å; K137-F171 HydrophobicContact CG-CE2 3.78Å; K137-F171 HydrophobicContact CG-CG 4.06Å; K137-F171 HydrophobicContact CG-CZ 3.74Å; V140-F171 HydrophobicContact CB-CB 3.97Å; V140-F171 HydrophobicContact CG1-CB 4.28Å; L144-F171 HydrophobicContact CB-CE2 4.23Å; L144-F171 HydrophobicContact CD1-CE2 3.71Å; L144-F171 HydrophobicContact CD1-CZ 3.84Å; L144-F171 HydrophobicContact CG-CE2 3.79Å; L144-F171 HydrophobicContact CG-CZ 4.44Å; F171-P173 WeakPolarHBondContact O-CD 3.28Å; F171-S218 WeakPolarHBondContact O-CB 3.35Å; F171-S218 PolarHBondContact O-OG 3.38Å; F171-L219 HydrophobicContact CD1-CD1 4.18Å; F171-L219 HydrophobicContact CD1-CG 4.47Å; F171-L219 HydrophobicContact CE1-CD1 4.46Å; F171-F409 AromaticContact CE1-CE2 3.76Å; F171-F409 HydrophobicContact CE1-CE2 3.76Å; F171-F409 AromaticContact CE1-CZ 3.52Å; F171-F409 HydrophobicContact CE1-CZ 3.52Å; F171-F409 HydrophobicContact CZ-CE2 4.46Å; F171-F409 HydrophobicContact CZ-CZ 4.08Å
172	L	98.8	Very high	98.5	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.157	24%	0.237	C	C	.	.	S	Bend	trans	-96	110.5	168.9	-164.6	66.1	0	0	0	108.7	R54 V140 V176 R178 F191	R54-L172 PolarHBondContact NH2-O 3.45Å; V140-L172 PolarHBondContact O-N 2.89Å; L172-V176 HydrophobicContact CD1-CB 4.14Å; L172-V176 HydrophobicContact CD1-CG1 3.75Å; L172-V176 HydrophobicContact CG-CB 4.47Å; L172-R178 HydrophobicContact CD1-CB 4.4Å; L172-F191 HydrophobicContact CD1-CD1 3.82Å; L172-F191 HydrophobicContact CD1-CE1 3.79Å
173	P	98.7	Very high	98.6	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.039	25%	0.249	C	C	.	.			trans	-65.3	164.3	179.9	-22.5	35	0	0	0	112.9	F171 G175 V176 S218	F171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-G175 PolarHBondContact O-N 2.82Å; P173-V176 HydrophobicContact CB-CG2 3.75Å; P173-V176 HydrophobicContact CG-CG2 4.06Å; P173-V176 PolarHBondContact O-N 2.99Å; P173-S218 WeakPolarHBondContact CD-O 3.36Å; P173-S218 WeakPolarHBondContact CG-O 3.24Å
174	P	97.4	Very high	98.6	Very high	41 Å²	41	52.4 Å²	52.4	27%	0.266	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	126.4	-179.5	-24.7	34.5	0	0	0	112.6	V176	P174-V176 PolarHBondContact O-N 3.42Å; P174-V176 VanDerWaalsContact O-N 3.15Å
175	G	98	Very high	98.6	Very high	47 Å²	47	51.3 Å²	51.3	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-5.1	177.6	0	0	0	0	0	115.8	P173 R177	P173-G175 PolarHBondContact O-N 2.82Å; G175-R177 PolarHBondContact O-N 2.84Å
176	V	98.8	Very high	98.6	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	25%	0.253	C	S	.	.			trans	-66.9	127.7	175.1	173.2	0	0	0	0	109.7	L172 P173 P174 F191 L192 A221	L172-V176 HydrophobicContact CD1-CB 4.14Å; L172-V176 HydrophobicContact CD1-CG1 3.75Å; L172-V176 HydrophobicContact CG-CB 4.47Å; P173-V176 HydrophobicContact CB-CG2 3.75Å; P173-V176 HydrophobicContact CG-CG2 4.06Å; P173-V176 PolarHBondContact O-N 2.99Å; P174-V176 PolarHBondContact O-N 3.42Å; P174-V176 VanDerWaalsContact O-N 3.15Å; V176-F191 HydrophobicContact CG1-CB 4.15Å; V176-F191 HydrophobicContact CG1-CD1 4.1Å; V176-L192 CarbonylContact C-O 3.59Å; V176-L192 VanDerWaalsContact CA-O 3.3Å; V176-L192 WeakPolarHBondContact CA-O 3.22Å; V176-A221 HydrophobicContact CG1-CB 3.72Å; V176-A221 HydrophobicContact CG2-CB 4.21Å
177	R	98.8	Very high	98.6	Very high	55 Å²	55	44 Å²	44	21%	0.208	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142	177.7	-63.6	170.9	-72.5	153.2	-11.3	109.6	G175 E179 F191 L192 P193 E262	G175-R177 PolarHBondContact O-N 2.84Å; R177-E179 IonicContact NH1-OE1 2.66Å; R177-F191 CarbonylContact O-C 3.52Å; R177-F191 VanDerWaalsContact O-CA 3.25Å; R177-F191 WeakPolarHBondContact O-CA 3.45Å; R177-L192 HydrophobicContact CB-CB 4.35Å; R177-L192 PolarHBondContact N-O 3.48Å; R177-L192 PolarHBondContact O-N 3.37Å; R177-P193 PolarHBondContact NE-O 3.03Å; R177-P193 PolarHBondContact NH2-O 3.1Å; R177-E262 IonicContact CZ-OE1 3.17Å; R177-E262 IonicContact CZ-OE2 2.85Å; R177-E262 IonicContact NH1-OE1 2.76Å; R177-E262 PolarHBondContact NH1-OE1 3.32Å; R177-E262 IonicContact NH1-OE2 3.81Å; R177-E262 PolarHBondContact NH1-OE2 2.65Å; R177-E262 IonicContact NH2-OE1 3.34Å; R177-E262 PolarHBondContact NH2-OE1 2.79Å; R177-E262 IonicContact NH2-OE2 3.53Å; R177-E262 PolarHBondContact NH2-OE2 2.94Å
178	R	98.8	Very high	98.7	Very high	68 Å²	68	43.6 Å²	43.6	26%	0.257	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.1	178.9	177.5	-177.7	177.7	-73.9	-4.5	109.4	L172 T189 F191 E214	L172-R178 HydrophobicContact CD1-CB 4.4Å; R178-T189 HydrophobicContact CG-CG2 3.56Å; R178-F191 HydrophobicContact CB-CD1 3.99Å; R178-F191 HydrophobicContact CB-CE1 3.65Å; R178-F191 HydrophobicContact CB-CZ 4.47Å; R178-F191 HydrophobicContact CG-CD1 4.17Å; R178-F191 HydrophobicContact CG-CE1 3.44Å; R178-F191 VanDerWaalsContact CG-CE1 3.44Å; R178-F191 HydrophobicContact CG-CZ 3.78Å; R178-E214 IonicContact CZ-OE1 3.52Å; R178-E214 IonicContact CZ-OE2 3.28Å; R178-E214 IonicContact NE-OE1 2.69Å; R178-E214 IonicContact NE-OE2 2.75Å; R178-E214 PolarHBondContact NE-OE2 3.43Å; R178-E214 VanDerWaalsContact NH2-CD 3.31Å; R178-E214 IonicContact NH2-OE1 2.91Å; R178-E214 PolarHBondContact NH2-OE1 3.26Å; R178-E214 IonicContact NH2-OE2 3.25Å; R178-E214 PolarHBondContact NH2-OE2 2.88Å
179	E	98.9	Very high	98.7	Very high	64 Å²	64	40.1 Å²	40.1	30%	0.299	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	103.4	-172.7	-64.5	-178.9	-168.5	0	0	110.2	R177 V181 L190	R177-E179 IonicContact NH1-OE1 2.66Å; E179-V181 PolarHBondContact O-N 3.34Å; E179-L190 HydrophobicContact CB-CB 4.42Å; E179-L190 PolarHBondContact N-O 2.83Å; E179-L190 PolarHBondContact O-N 3.21Å
180	P	98.8	Very high	98.7	Very high	60 Å²	60	40.1 Å²	40.1	39%	0.39	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.5	176.2	-24.9	35.5	0	0	0	112.2
181	V	98.9	Very high	98.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.1	-178.6	-178.6	0	0	0	0	109.7	E179 V183 V186 G188 L190 M228 Y256	E179-V181 PolarHBondContact O-N 3.34Å; V181-V183 HydrophobicContact CG1-CG2 4.31Å; V181-V186 HydrophobicContact CG1-CG1 4.11Å; V181-G188 PolarHBondContact N-O 3.2Å; V181-G188 PolarHBondContact O-N 3.26Å; V181-L190 HydrophobicContact CG2-CB 3.83Å; V181-M228 HydrophobicContact CG1-SD 4.36Å; V181-M228 HydrophobicContact CG2-CG 4.49Å; V181-M228 HydrophobicContact CG2-SD 4.07Å; V181-Y256 HydrophobicContact CB-CE1 4.2Å; V181-Y256 HydrophobicContact CG1-CD1 3.86Å; V181-Y256 HydrophobicContact CG1-CE1 3.47Å; V181-Y256 VanDerWaalsContact CG1-CE1 3.47Å; V181-Y256 HydrophobicContact CG1-CE2 4.22Å; V181-Y256 HydrophobicContact CG1-CG 4.39Å; V181-Y256 HydrophobicContact CG2-CE1 3.6Å
182	R	98.8	Very high	98.7	Very high	135 Å²	135	37.7 Å²	37.7	51%	0.509	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	66.8	173.7	-62.9	-174.4	-175.8	85.3	4.1	110	E236	R182-E236 IonicContact CZ-OE1 2.77Å; R182-E236 IonicContact CZ-OE2 2.94Å; R182-E236 IonicContact NE-OE1 3.39Å; R182-E236 PolarHBondContact NE-OE1 2.75Å; R182-E236 IonicContact NE-OE2 2.99Å; R182-E236 PolarHBondContact NE-OE2 2.7Å; R182-E236 IonicContact NH2-OE1 3.29Å; R182-E236 PolarHBondContact NH2-OE1 2.92Å; R182-E236 IonicContact NH2-OE2 2.85Å
183	V	98.6	Very high	98.7	Very high	74 Å²	74	36.4 Å²	36.4	45%	0.448	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.5	-175.1	-179.3	0	0	0	0	109.3	V181 R185 V186 Y256	V181-V183 HydrophobicContact CG1-CG2 4.31Å; V183-R185 PolarHBondContact O-N 2.84Å; V183-V186 PolarHBondContact N-O 3.41Å; V183-V186 WeakPolarHBondContact O-CB 3.4Å; V183-V186 PolarHBondContact O-N 2.86Å; V183-Y256 HydrophobicContact CB-CD2 4Å; V183-Y256 HydrophobicContact CB-CE2 4.19Å; V183-Y256 HydrophobicContact CG1-CD2 4.09Å; V183-Y256 HydrophobicContact CG2-CD2 3.93Å; V183-Y256 HydrophobicContact CG2-CE2 3.6Å
184	G	98.4	Very high	98.6	Very high	62 Å²	62	38.2 Å²	38.2	64%	0.639	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	-131.8	-168.4	0	0	0	0	0	110.5	R187	G184-R187 PolarHBondContact O-NH2 3.17Å
185	R	98.6	Very high	98.5	Very high	100 Å²	100	43.2 Å²	43.2	38%	0.377	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.5	174.2	58.4	173.9	177.9	175.6	-3.7	114.1	V183 R187 E248 Y249 E252	V183-R185 PolarHBondContact O-N 2.84Å; R185-R187 PolarHBondContact O-N 3.46Å; R185-E248 PolarHBondContact NH2-O 3.44Å; R185-Y249 HydrophobicContact CG-CD2 4.01Å; R185-Y249 HydrophobicContact CG-CE2 4.42Å; R185-Y249 WeakPolarHBondContact O-CE2 3.45Å; R185-E252 WeakPolarHBondContact CD-OE2 3.22Å; R185-E252 WeakPolarHBondContact CG-OE2 3.31Å; R185-E252 IonicContact CZ-OE1 3.06Å; R185-E252 IonicContact CZ-OE2 3.61Å; R185-E252 IonicContact NE-OE1 3.73Å; R185-E252 PolarHBondContact NE-OE1 3.34Å; R185-E252 IonicContact NE-OE2 3.73Å; R185-E252 PolarHBondContact NE-OE2 2.91Å; R185-E252 IonicContact NH2-OE1 3.78Å; R185-E252 PolarHBondContact NH2-OE1 2.68Å; R185-E252 IonicContact NH2-OE2 2.6Å
186	V	98.9	Very high	98.4	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.6	-177.5	-178.5	0	0	0	0	109.9	V181 V183 L230 E252 A253	V181-V186 HydrophobicContact CG1-CG1 4.11Å; V183-V186 PolarHBondContact N-O 3.41Å; V183-V186 WeakPolarHBondContact O-CB 3.4Å; V183-V186 PolarHBondContact O-N 2.86Å; V186-L230 HydrophobicContact CG1-CD1 4.04Å; V186-E252 HydrophobicContact CG2-CB 3.84Å; V186-A253 HydrophobicContact CG1-CB 3.79Å; V186-A253 HydrophobicContact CG2-CB 4.1Å
187	R	98.9	Very high	98.1	Very high	32 Å²	32	47.8 Å²	47.8	12%	0.121	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.6	173.8	-60.3	-64	126.4	120.5	7.1	110.3	G184 R185 A231 Y235 E236 D237 L238 Y249	G184-R187 PolarHBondContact O-NH2 3.17Å; R185-R187 PolarHBondContact O-N 3.46Å; R187-A231 PolarHBondContact O-N 3.3Å; R187-A231 VanDerWaalsContact O-N 3.11Å; R187-Y235 HydrophobicContact CB-CD1 3.97Å; R187-Y235 HydrophobicContact CB-CE1 4.18Å; R187-E236 WeakPolarHBondContact CD-OE2 3.05Å; R187-D237 WeakPolarHBondContact CD-OD1 3.18Å; R187-D237 WeakPolarHBondContact CG-OD1 3.46Å; R187-D237 IonicContact CZ-OD1 2.69Å; R187-D237 IonicContact CZ-OD2 2.8Å; R187-D237 VanDerWaalsContact CZ-OD2 3.29Å; R187-D237 IonicContact NE-OD1 3.56Å; R187-D237 IonicContact NH1-OD1 3.93Å; R187-D237 PolarHBondContact NH1-OD1 3.06Å; R187-D237 IonicContact NH1-OD2 3.83Å; R187-D237 PolarHBondContact NH1-OD2 3.31Å; R187-D237 IonicContact NH2-OD2 3.88Å; R187-D237 PolarHBondContact NH2-OD2 2.79Å; R187-L238 HydrophobicContact CB-CD1 3.99Å; R187-L238 HydrophobicContact CB-CD2 4.47Å; R187-L238 HydrophobicContact CB-CG 4.13Å; R187-L238 HydrophobicContact CG-CD1 4.34Å; R187-L238 HydrophobicContact CG-CD2 4.07Å; R187-L238 HydrophobicContact CG-CG 3.91Å; R187-Y249 PolarHBondContact N-OH 2.96Å; R187-Y249 VanDerWaalsContact N-OH 3.12Å; R187-Y249 PolarHBondContact O-OH 2.66Å
188	G	98.9	Very high	98.1	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	-168.4	179.8	0	0	0	0	0	111.9	V181 A229	V181-G188 PolarHBondContact N-O 3.2Å; V181-G188 PolarHBondContact O-N 3.26Å; G188-A229 CarbonylContact C-O 3.6Å; G188-A229 WeakPolarHBondContact CA-O 3.47Å
189	T	98.9	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.9	173.7	-61.3	0	0	0	0	108.8	R178 F191 L212 E214 M228 A229	R178-T189 HydrophobicContact CG-CG2 3.56Å; T189-F191 HydrophobicContact CG2-CD2 4.23Å; T189-F191 HydrophobicContact CG2-CE1 4.37Å; T189-F191 HydrophobicContact CG2-CE2 3.53Å; T189-F191 HydrophobicContact CG2-CZ 3.61Å; T189-L212 WeakPolarHBondContact OG1-CD2 3.35Å; T189-E214 WeakPolarHBondContact CB-OE1 3.42Å; T189-E214 PolarHBondContact OG1-OE1 3.07Å; T189-M228 CarbonylContact O-C 3.46Å; T189-M228 WeakPolarHBondContact O-CA 3.42Å; T189-A229 PolarHBondContact N-O 3.23Å; T189-A229 PolarHBondContact O-N 3.45Å
190	L	98.9	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.1	175.3	179.2	61.1	0	0	0	109.6	E179 V181 L192 M228 L257	E179-L190 HydrophobicContact CB-CB 4.42Å; E179-L190 PolarHBondContact N-O 2.83Å; E179-L190 PolarHBondContact O-N 3.21Å; V181-L190 HydrophobicContact CG2-CB 3.83Å; L190-L192 HydrophobicContact CD1-CD2 4.15Å; L190-L192 HydrophobicContact CD2-CD1 4.19Å; L190-L192 HydrophobicContact CD2-CD2 4.03Å; L190-L192 HydrophobicContact CD2-CG 4.12Å; L190-L192 HydrophobicContact CG-CD2 4.04Å; L190-L192 HydrophobicContact CG-CG 4.01Å; L190-M228 HydrophobicContact CD1-CB 4.15Å; L190-L257 HydrophobicContact CD1-CD1 3.65Å
191	F	98.9	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.7	171.6	-66.6	-88.3	0	0	0	109.3	V140 L172 V176 R177 R178 T189 E214 A217 A221 A226 V227	V140-F191 HydrophobicContact CG2-CE1 3.83Å; V140-F191 HydrophobicContact CG2-CZ 3.83Å; L172-F191 HydrophobicContact CD1-CD1 3.82Å; L172-F191 HydrophobicContact CD1-CE1 3.79Å; V176-F191 HydrophobicContact CG1-CB 4.15Å; V176-F191 HydrophobicContact CG1-CD1 4.1Å; R177-F191 CarbonylContact O-C 3.52Å; R177-F191 VanDerWaalsContact O-CA 3.25Å; R177-F191 WeakPolarHBondContact O-CA 3.45Å; R178-F191 HydrophobicContact CB-CD1 3.99Å; R178-F191 HydrophobicContact CB-CE1 3.65Å; R178-F191 HydrophobicContact CB-CZ 4.47Å; R178-F191 HydrophobicContact CG-CD1 4.17Å; R178-F191 HydrophobicContact CG-CE1 3.44Å; R178-F191 VanDerWaalsContact CG-CE1 3.44Å; R178-F191 HydrophobicContact CG-CZ 3.78Å; T189-F191 HydrophobicContact CG2-CD2 4.23Å; T189-F191 HydrophobicContact CG2-CE1 4.37Å; T189-F191 HydrophobicContact CG2-CE2 3.53Å; T189-F191 HydrophobicContact CG2-CZ 3.61Å; F191-E214 HydrophobicContact CE2-CB 3.89Å; F191-E214 HydrophobicContact CE2-CG 4.18Å; F191-E214 HydrophobicContact CZ-CB 3.78Å; F191-E214 HydrophobicContact CZ-CG 4.19Å; F191-A217 HydrophobicContact CD2-CB 3.74Å; F191-A217 HydrophobicContact CE2-CB 4.12Å; F191-A221 HydrophobicContact CB-CB 3.58Å; F191-A226 CarbonylContact O-C 3.59Å; F191-A226 WeakPolarHBondContact O-CA 3Å; F191-V227 PolarHBondContact N-O 3.15Å; F191-V227 PolarHBondContact O-N 3.07Å
192	L	98.9	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.6	-179.3	-63.1	170.5	0	0	0	109.9	V176 R177 L190 F199 A226	V176-L192 CarbonylContact C-O 3.59Å; V176-L192 VanDerWaalsContact CA-O 3.3Å; V176-L192 WeakPolarHBondContact CA-O 3.22Å; R177-L192 HydrophobicContact CB-CB 4.35Å; R177-L192 PolarHBondContact N-O 3.48Å; R177-L192 PolarHBondContact O-N 3.37Å; L190-L192 HydrophobicContact CD1-CD2 4.15Å; L190-L192 HydrophobicContact CD2-CD1 4.19Å; L190-L192 HydrophobicContact CD2-CD2 4.03Å; L190-L192 HydrophobicContact CD2-CG 4.12Å; L190-L192 HydrophobicContact CG-CD2 4.04Å; L190-L192 HydrophobicContact CG-CG 4.01Å; L192-F199 HydrophobicContact CD2-CD2 4.41Å; L192-A226 HydrophobicContact CD2-CB 3.52Å
193	P	98.6	Very high	98	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.019	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-58.1	163.8	166.8	-18.8	31.7	0	0	0	111.3	R177 F199 F225 I459	R177-P193 PolarHBondContact NE-O 3.03Å; R177-P193 PolarHBondContact NH2-O 3.1Å; P193-F199 HydrophobicContact CB-CD1 3.93Å; P193-F199 HydrophobicContact CB-CE1 3.65Å; P193-F199 HydrophobicContact CB-CE2 4.41Å; P193-F199 HydrophobicContact CB-CG 4.42Å; P193-F199 HydrophobicContact CB-CZ 3.89Å; P193-F199 HydrophobicContact CG-CB 4.35Å; P193-F199 HydrophobicContact CG-CD1 3.63Å; P193-F199 HydrophobicContact CG-CD2 4.19Å; P193-F199 HydrophobicContact CG-CE1 3.89Å; P193-F199 HydrophobicContact CG-CE2 4.41Å; P193-F199 HydrophobicContact CG-CG 3.77Å; P193-F199 HydrophobicContact CG-CZ 4.26Å; P193-F225 VanDerWaalsContact CD-O 3.29Å; P193-F225 WeakPolarHBondContact CD-O 3.4Å; P193-F225 WeakPolarHBondContact CG-O 3.27Å; P193-I459 HydrophobicContact CB-CD1 4.33Å
194	P	97.4	Very high	98	Very high	44 Å²	44	31.1 Å²	31.1	29%	0.286	19%	0.189	S	C	.	.	S	Bend	trans	-61	145.9	170.2	26.8	-32.5	0	0	0	110.2	F199 I459	P194-F199 WeakPolarHBondContact O-CZ 3.36Å; P194-I459 HydrophobicContact CG-CD1 4.1Å; P194-I459 HydrophobicContact CG-CG2 3.95Å
195	E	94.4	Very high	98.1	Very high	146 Å²	146	28.2 Å²	28.2	68%	0.682	16%	0.158	S	C	*	.	S	Bend	trans	-56.4	154.2	176.5	-72.1	178.3	-156.3	0	0	113
196	P	95.9	Very high	98.1	Very high	119 Å²	119	24.6 Å²	24.6	77%	0.773	15%	0.145	S	C	*	.	S	Bend	cis	-89.4	144.8	3.9	34	-34.1	0	0	0	114.2	F199	P196-F199 WeakPolarHBondContact O-CE1 3.19Å
197	G	93.8	Very high	98	Very high	34 Å²	34	25.1 Å²	25.1	35%	0.351	15%	0.151	S	C	.	.			trans	-84.2	-167	166.3	0	0	0	0	0	113.3	F199	G197-F199 VanDerWaalsContact CA-CZ 3.41Å
198	P	97.1	Very high	97.8	Very high	76 Å²	76	25.8 Å²	25.8	49%	0.494	16%	0.159	S	C	.	.			cis	-82.5	159.6	0.3	34.5	-36.3	0	0	0	112.9	E262 K264	P198-E262 CarbonylContact C-O 3.51Å; P198-E262 VanDerWaalsContact CA-O 3.31Å; P198-E262 WeakPolarHBondContact CA-O 3.35Å; P198-K264 HydrophobicContact CB-CB 4.2Å; P198-K264 HydrophobicContact CG-CB 4.29Å; P198-K264 HydrophobicContact CG-CG 4.44Å
199	F	98.2	Very high	97.4	Very high	19 Å²	19	28.2 Å²	28.2	8%	0.083	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-114.8	149.9	-176.1	-46.9	-74	0	0	0	111.4	L192 P193 P194 P196 G197 G201 A226 E262 V263 K264	L192-F199 HydrophobicContact CD2-CD2 4.41Å; P193-F199 HydrophobicContact CB-CD1 3.93Å; P193-F199 HydrophobicContact CB-CE1 3.65Å; P193-F199 HydrophobicContact CB-CE2 4.41Å; P193-F199 HydrophobicContact CB-CG 4.42Å; P193-F199 HydrophobicContact CB-CZ 3.89Å; P193-F199 HydrophobicContact CG-CB 4.35Å; P193-F199 HydrophobicContact CG-CD1 3.63Å; P193-F199 HydrophobicContact CG-CD2 4.19Å; P193-F199 HydrophobicContact CG-CE1 3.89Å; P193-F199 HydrophobicContact CG-CE2 4.41Å; P193-F199 HydrophobicContact CG-CG 3.77Å; P193-F199 HydrophobicContact CG-CZ 4.26Å; P194-F199 WeakPolarHBondContact O-CZ 3.36Å; P196-F199 WeakPolarHBondContact O-CE1 3.19Å; G197-F199 VanDerWaalsContact CA-CZ 3.41Å; F199-G201 PolarHBondContact O-N 3Å; F199-A226 HydrophobicContact CB-CB 3.98Å; F199-E262 HydrophobicContact CD2-CB 4.31Å; F199-E262 WeakPolarHBondContact CD2-O 3.32Å; F199-E262 HydrophobicContact CE2-CB 4.4Å; F199-E262 PolarHBondContact N-O 3.01Å; F199-V263 CarbonylContact O-C 3.48Å; F199-V263 WeakPolarHBondContact O-CA 3.3Å; F199-K264 WeakPolarHBondContact O-CB 3.38Å; F199-K264 PolarHBondContact O-N 2.76Å
200	P	98.5	Very high	97.1	Very high	11 Å²	11	28.9 Å²	28.9	7%	0.071	19%	0.191	C	C	.	.			trans	-63.1	130.1	170.6	-9.1	22.5	0	0	0	110.6	G224 F225 A226 L452	P200-G224 WeakPolarHBondContact CD-O 3.4Å; P200-F225 HydrophobicContact CB-CD1 4Å; P200-F225 HydrophobicContact CB-CE1 4.35Å; P200-F225 HydrophobicContact CG-CD1 4.2Å; P200-F225 HydrophobicContact CG-CE1 4.39Å; P200-F225 WeakPolarHBondContact O-CA 3.39Å; P200-A226 PolarHBondContact O-N 3.46Å; P200-L452 HydrophobicContact CB-CB 3.56Å; P200-L452 HydrophobicContact CB-CD1 4.22Å; P200-L452 HydrophobicContact CG-CB 4.5Å
201	G	98.8	Very high	97.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.4	-173.7	0	0	0	0	0	113.2	F199 A226 V268 G269	F199-G201 PolarHBondContact O-N 3Å; G201-A226 CarbonylContact C-O 3.53Å; G201-A226 VanDerWaalsContact CA-O 3.28Å; G201-A226 WeakPolarHBondContact CA-O 3.29Å; G201-V268 WeakPolarHBondContact O-CA 3.48Å; G201-G269 PolarHBondContact O-N 3.27Å
202	I	98.9	Very high	97.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.3	176.9	-59.7	173.5	0	0	0	110	L220 F225 A226 V227 M228 L257 G269 L271 F448 L452	I202-L220 HydrophobicContact CD1-CD2 3.86Å; I202-F225 HydrophobicContact CD1-CB 3.91Å; I202-F225 HydrophobicContact CD1-CD1 3.65Å; I202-F225 HydrophobicContact CD1-CD2 4.19Å; I202-F225 HydrophobicContact CD1-CE1 4.18Å; I202-F225 HydrophobicContact CD1-CG 3.65Å; I202-F225 HydrophobicContact CG1-CB 4.49Å; I202-F225 HydrophobicContact CG1-CD1 4.35Å; I202-A226 PolarHBondContact N-O 2.87Å; I202-V227 HydrophobicContact CB-CG1 4.15Å; I202-V227 HydrophobicContact CB-CG2 4.32Å; I202-V227 HydrophobicContact CG2-CG1 4.2Å; I202-V227 CarbonylContact O-C 3.56Å; I202-V227 WeakPolarHBondContact O-CA 3.23Å; I202-M228 PolarHBondContact O-N 3.06Å; I202-L257 WeakPolarHBondContact O-CD2 3.48Å; I202-G269 CarbonylContact C-O 3.59Å; I202-G269 VanDerWaalsContact CA-O 3.28Å; I202-G269 WeakPolarHBondContact CA-O 3.31Å; I202-L271 HydrophobicContact CG2-CB 3.94Å; I202-F448 HydrophobicContact CD1-CB 4.09Å; I202-F448 HydrophobicContact CD1-CD1 4.17Å; I202-F448 HydrophobicContact CD1-CD2 3.64Å; I202-F448 HydrophobicContact CD1-CE2 4.03Å; I202-F448 HydrophobicContact CD1-CG 3.72Å; I202-F448 HydrophobicContact CD1-CZ 4.44Å; I202-F448 HydrophobicContact CG1-CD1 4.48Å; I202-F448 HydrophobicContact CG2-CZ 4.38Å; I202-L452 HydrophobicContact CD1-CD1 4.27Å; I202-L452 HydrophobicContact CG1-CD1 3.78Å
203	V	98.9	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.8	164.7	-177.2	0	0	0	0	108.7	M205 M228 L230 L257 G269 L270 L271	V203-M205 HydrophobicContact CG1-CG 4.22Å; V203-M228 HydrophobicContact CG2-CE 4.25Å; V203-L230 HydrophobicContact CG1-CB 3.87Å; V203-L230 HydrophobicContact CG1-CD2 3.73Å; V203-L230 HydrophobicContact CG1-CG 4.45Å; V203-L257 HydrophobicContact CG2-CD2 3.7Å; V203-G269 PolarHBondContact N-O 3.03Å; V203-L270 HydrophobicContact CB-CD2 3.78Å; V203-L270 HydrophobicContact CG2-CD2 4.09Å; V203-L271 PolarHBondContact O-N 3.31Å
204	D	99	Very high	97.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.8	179.8	-179.3	-111.5	0	0	0	111	F206 R216 A217 V227 M228 L230 L271	D204-F206 WeakPolarHBondContact OD1-CE2 3.46Å; D204-R216 IonicContact OD1-NE 3.78Å; D204-R216 IonicContact OD1-NH2 3.43Å; D204-R216 IonicContact OD2-CZ 3.9Å; D204-R216 IonicContact OD2-NE 3.58Å; D204-R216 PolarHBondContact OD2-NE 3.31Å; D204-R216 IonicContact OD2-NH2 2.86Å; D204-R216 PolarHBondContact OD2-NH2 2.9Å; D204-A217 HydrophobicContact CB-CB 4.15Å; D204-V227 HydrophobicContact CB-CG1 3.81Å; D204-M228 PolarHBondContact N-O 3.32Å; D204-L230 PolarHBondContact O-N 2.73Å; D204-L271 CarbonylContact C-O 3.57Å; D204-L271 WeakPolarHBondContact CA-O 3.36Å
205	M	98.9	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.2	-177.1	-66.2	178.2	-71	0	0	112.4	V203 R216 L230 F250 L271 G272 I273 L279 C280 M283	V203-M205 HydrophobicContact CG1-CG 4.22Å; M205-R216 PolarHBondContact O-NH2 3.02Å; M205-L230 HydrophobicContact CG-CB 4.24Å; M205-L230 HydrophobicContact CG-CD2 4.45Å; M205-L230 HydrophobicContact SD-CD2 4.32Å; M205-F250 HydrophobicContact SD-CD1 3.95Å; M205-F250 HydrophobicContact SD-CE1 3.97Å; M205-L271 PolarHBondContact N-O 3.39Å; M205-G272 WeakPolarHBondContact O-CA 3.48Å; M205-I273 PolarHBondContact O-N 3.04Å; M205-I273 VanDerWaalsContact O-N 3.12Å; M205-L279 HydrophobicContact CE-CB 4.33Å; M205-L279 HydrophobicContact SD-CB 4.17Å; M205-C280 WeakPolarHBondContact CE-SG 3.19Å; M205-M283 HydrophobicContact CE-SD 3.55Å; M205-M283 VanDerWaalsContact CE-SD 3.55Å; M205-M283 HydrophobicContact SD-SD 3.91Å
206	F	98.8	Very high	97.4	Very high	25 Å²	25	23.7 Å²	23.7	11%	0.11	17%	0.169	C	C	.	.			trans	-92.1	175.4	170.3	-81.3	-93.4	0	0	0	111.7	D204 L213 Y215 R216 Y232 I273 G276	D204-F206 WeakPolarHBondContact OD1-CE2 3.46Å; F206-L213 HydrophobicContact CB-CD1 4.22Å; F206-L213 HydrophobicContact CD1-CB 4.39Å; F206-L213 HydrophobicContact CD1-CD1 3.58Å; F206-L213 HydrophobicContact CD2-CB 3.53Å; F206-L213 HydrophobicContact CD2-CD1 4.23Å; F206-L213 HydrophobicContact CD2-CG 4.46Å; F206-L213 HydrophobicContact CE1-CD1 3.95Å; F206-L213 HydrophobicContact CE2-CB 3.65Å; F206-L213 HydrophobicContact CG-CB 3.91Å; F206-L213 HydrophobicContact CG-CD1 3.73Å; F206-L213 HydrophobicContact CG-CG 4.38Å; F206-L213 HydrophobicContact CZ-CB 4.14Å; F206-L213 HydrophobicContact CZ-CD1 4.4Å; F206-Y215 AromaticContact CE1-CE2 3.95Å; F206-Y215 HydrophobicContact CE1-CE2 3.95Å; F206-Y215 AromaticContact CE1-CZ 3.62Å; F206-Y215 WeakPolarHBondContact CE1-OH 3.49Å; F206-Y215 HydrophobicContact CZ-CD2 4.28Å; F206-Y215 HydrophobicContact CZ-CE1 4.26Å; F206-Y215 AromaticContact CZ-CE2 3.52Å; F206-Y215 HydrophobicContact CZ-CE2 3.52Å; F206-Y215 AromaticContact CZ-CZ 3.5Å; F206-R216 HydrophobicContact CE2-CB 4.02Å; F206-R216 HydrophobicContact CZ-CB 3.81Å; F206-Y232 WeakPolarHBondContact O-CE1 3.25Å; F206-Y232 PolarHBondContact O-OH 3.22Å; F206-I273 CarbonylContact C-O 3.48Å; F206-I273 HydrophobicContact CD1-CG2 3.69Å; F206-I273 HydrophobicContact CE1-CG2 4.13Å; F206-I273 HydrophobicContact CG-CG2 4.22Å; F206-G276 VanDerWaalsContact O-CA 3.29Å; F206-G276 WeakPolarHBondContact O-CA 3.47Å; F206-G276 PolarHBondContact O-N 3Å
207	G	97.1	Very high	97.5	Very high	14 Å²	14	18 Å²	18	14%	0.144	13%	0.132	C	C	.	.			trans	-81.7	-159.9	176.7	0	0	0	0	0	114	Y232 I273	G207-Y232 PolarHBondContact O-OH 3.15Å; G207-I273 PolarHBondContact N-O 3.37Å
208	T	94.3	Very high	97.8	Very high	45 Å²	45	16.4 Å²	16.4	28%	0.276	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	155.7	172.9	60.3	0	0	0	0	111.4	Y233 M242 K275 L419	T208-Y233 WeakPolarHBondContact CA-OH 3.4Å; T208-M242 HydrophobicContact CG2-CE 4.16Å; T208-M242 HydrophobicContact CG2-SD 4.33Å; T208-K275 HydrophobicContact CG2-CB 4.06Å; T208-K275 HydrophobicContact CG2-CG 4.31Å; T208-L419 HydrophobicContact CG2-CD1 4.29Å
209	G	91.3	Very high	97.9	Very high	54 Å²	54	12.8 Å²	12.8	56%	0.557	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	132.6	-26	-170.6	0	0	0	0	0	112	Y233	G209-Y233 PolarHBondContact N-OH 2.92Å
210	G	93.6	Very high	97.9	Very high	14 Å²	14	11.9 Å²	11.9	14%	0.144	9%	0.088	C	C	.	.			trans	68.9	-177.2	-179.9	0	0	0	0	0	113.1	Y233	G210-Y233 VanDerWaalsContact N-CZ 3.33Å; G210-Y233 PolarHBondContact N-OH 2.98Å
211	G	97.8	Very high	97.9	Very high	22 Å²	22	11.3 Å²	11.3	23%	0.227	9%	0.085	C	C	.	.	S	Bend	trans	75.2	-159.5	-173.8	0	0	0	0	0	112	Y233 N234	G211-Y233 PolarHBondContact N-O 2.95Å; G211-N234 WeakPolarHBondContact CA-O 3.37Å; G211-N234 PolarHBondContact N-O 3.22Å
212	L	98.8	Very high	97.9	Very high	17 Å²	17	11.6 Å²	11.6	9%	0.089	9%	0.088	C	C	.	.			trans	-128.9	131	176.5	-176.4	61.6	0	0	0	109.1	T189 E214 A229 A231 Y235	T189-L212 WeakPolarHBondContact OG1-CD2 3.35Å; L212-E214 HydrophobicContact CD2-CG 4.11Å; L212-E214 HydrophobicContact CG-CG 4Å; L212-A229 HydrophobicContact CD1-CB 3.82Å; L212-A229 WeakPolarHBondContact CD1-O 3.45Å; L212-A231 HydrophobicContact CB-CB 4.23Å; L212-A231 HydrophobicContact CD1-CB 3.98Å; L212-Y235 HydrophobicContact CB-CD1 4.38Å; L212-Y235 HydrophobicContact CB-CD2 3.72Å; L212-Y235 HydrophobicContact CB-CE1 4.27Å; L212-Y235 HydrophobicContact CB-CE2 3.56Å; L212-Y235 HydrophobicContact CB-CG 4.13Å; L212-Y235 HydrophobicContact CD2-CE1 4.07Å; L212-Y235 HydrophobicContact CD2-CE2 4.35Å
213	L	98.7	Very high	97.8	Very high	22 Å²	22	12.6 Å²	12.6	12%	0.115	9%	0.092	C	C	.	.			trans	-113.5	114.7	174.1	-75.2	-178.7	0	0	0	108.7	R138 F206 Y215	R138-L213 VanDerWaalsContact CD-CD2 3.47Å; F206-L213 HydrophobicContact CB-CD1 4.22Å; F206-L213 HydrophobicContact CD1-CB 4.39Å; F206-L213 HydrophobicContact CD1-CD1 3.58Å; F206-L213 HydrophobicContact CD2-CB 3.53Å; F206-L213 HydrophobicContact CD2-CD1 4.23Å; F206-L213 HydrophobicContact CD2-CG 4.46Å; F206-L213 HydrophobicContact CE1-CD1 3.95Å; F206-L213 HydrophobicContact CE2-CB 3.65Å; F206-L213 HydrophobicContact CG-CB 3.91Å; F206-L213 HydrophobicContact CG-CD1 3.73Å; F206-L213 HydrophobicContact CG-CG 4.38Å; F206-L213 HydrophobicContact CZ-CB 4.14Å; F206-L213 HydrophobicContact CZ-CD1 4.4Å; L213-Y215 HydrophobicContact CB-CD1 4.4Å; L213-Y215 HydrophobicContact CB-CE1 4.02Å; L213-Y215 HydrophobicContact CD1-CE1 3.96Å; L213-Y215 HydrophobicContact CD2-CD1 4.13Å; L213-Y215 HydrophobicContact CD2-CE1 3.62Å; L213-Y215 HydrophobicContact CG-CE1 4.08Å
214	E	98.9	Very high	97.8	Very high	12 Å²	12	13.7 Å²	13.7	6%	0.056	10%	0.103	C	C	.	.			trans	-100.2	-17.9	-170.8	-66.4	-176.2	176.7	0	0	113.3	V140 R178 T189 F191 L212 R216 A217 S218 A229	V140-E214 HydrophobicContact CG1-CB 3.65Å; V140-E214 HydrophobicContact CG2-CB 4.34Å; R178-E214 IonicContact CZ-OE1 3.52Å; R178-E214 IonicContact CZ-OE2 3.28Å; R178-E214 IonicContact NE-OE1 2.69Å; R178-E214 IonicContact NE-OE2 2.75Å; R178-E214 PolarHBondContact NE-OE2 3.43Å; R178-E214 VanDerWaalsContact NH2-CD 3.31Å; R178-E214 IonicContact NH2-OE1 2.91Å; R178-E214 PolarHBondContact NH2-OE1 3.26Å; R178-E214 IonicContact NH2-OE2 3.25Å; R178-E214 PolarHBondContact NH2-OE2 2.88Å; T189-E214 WeakPolarHBondContact CB-OE1 3.42Å; T189-E214 PolarHBondContact OG1-OE1 3.07Å; F191-E214 HydrophobicContact CE2-CB 3.89Å; F191-E214 HydrophobicContact CE2-CG 4.18Å; F191-E214 HydrophobicContact CZ-CB 3.78Å; F191-E214 HydrophobicContact CZ-CG 4.19Å; L212-E214 HydrophobicContact CD2-CG 4.11Å; L212-E214 HydrophobicContact CG-CG 4Å; E214-R216 VanDerWaalsContact C-N 3.35Å; E214-R216 PolarHBondContact O-N 2.8Å; E214-A217 PolarHBondContact O-N 3.03Å; E214-S218 PolarHBondContact O-N 2.81Å; E214-S218 PolarHBondContact O-OG 2.61Å; E214-A229 HydrophobicContact CG-CB 4.43Å
215	Y	98.9	Very high	97.8	Very high	8 Å²	8	13.6 Å²	13.6	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-40.9	-166.3	56.4	-103.4	0	0	0	112.9	K137 F206 L213 S218 L219 E405 P406 F409	K137-Y215 WeakPolarHBondContact O-CD1 3.23Å; F206-Y215 AromaticContact CE1-CE2 3.95Å; F206-Y215 HydrophobicContact CE1-CE2 3.95Å; F206-Y215 AromaticContact CE1-CZ 3.62Å; F206-Y215 WeakPolarHBondContact CE1-OH 3.49Å; F206-Y215 HydrophobicContact CZ-CD2 4.28Å; F206-Y215 HydrophobicContact CZ-CE1 4.26Å; F206-Y215 AromaticContact CZ-CE2 3.52Å; F206-Y215 HydrophobicContact CZ-CE2 3.52Å; F206-Y215 AromaticContact CZ-CZ 3.5Å; L213-Y215 HydrophobicContact CB-CD1 4.4Å; L213-Y215 HydrophobicContact CB-CE1 4.02Å; L213-Y215 HydrophobicContact CD1-CE1 3.96Å; L213-Y215 HydrophobicContact CD2-CD1 4.13Å; L213-Y215 HydrophobicContact CD2-CE1 3.62Å; L213-Y215 HydrophobicContact CG-CE1 4.08Å; Y215-S218 WeakPolarHBondContact CA-OG 3.35Å; Y215-S218 PolarHBondContact O-OG 3.16Å; Y215-L219 VanDerWaalsContact O-CG 3.26Å; Y215-L219 WeakPolarHBondContact O-CG 3.5Å; Y215-L219 PolarHBondContact O-N 3.34Å; Y215-L219 VanDerWaalsContact O-N 3.1Å; Y215-E405 VanDerWaalsContact CE2-OE2 3.23Å; Y215-E405 WeakPolarHBondContact CE2-OE2 3.41Å; Y215-E405 PolarHBondContact OH-OE2 3.05Å; Y215-P406 HydrophobicContact CD2-CG 4.24Å; Y215-P406 HydrophobicContact CE2-CG 4.39Å; Y215-F409 HydrophobicContact CD2-CE2 4.06Å; Y215-F409 AromaticContact CD2-CZ 3.78Å; Y215-F409 HydrophobicContact CD2-CZ 3.78Å; Y215-F409 HydrophobicContact CE2-CE2 4.39Å; Y215-F409 HydrophobicContact CE2-CZ 4.08Å; Y215-F409 HydrophobicContact CG-CZ 4.1Å
216	R	98.9	Very high	97.8	Very high	3 Å²	3	13.6 Å²	13.6	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-68.4	-45	178.9	-173.4	167.6	67.7	-161.6	-1.4	112	D204 M205 F206 E214 L219 L220 L271 P406 W441	D204-R216 IonicContact OD1-NE 3.78Å; D204-R216 IonicContact OD1-NH2 3.43Å; D204-R216 IonicContact OD2-CZ 3.9Å; D204-R216 IonicContact OD2-NE 3.58Å; D204-R216 PolarHBondContact OD2-NE 3.31Å; D204-R216 IonicContact OD2-NH2 2.86Å; D204-R216 PolarHBondContact OD2-NH2 2.9Å; M205-R216 PolarHBondContact O-NH2 3.02Å; F206-R216 HydrophobicContact CE2-CB 4.02Å; F206-R216 HydrophobicContact CZ-CB 3.81Å; E214-R216 VanDerWaalsContact C-N 3.35Å; E214-R216 PolarHBondContact O-N 2.8Å; R216-L219 PolarHBondContact O-N 3.44Å; R216-L220 VanDerWaalsContact O-CB 3.29Å; R216-L220 WeakPolarHBondContact O-CB 3.44Å; R216-L220 PolarHBondContact O-N 2.79Å; R216-L271 HydrophobicContact CG-CD2 4.22Å; R216-P406 HydrophobicContact CB-CG 4.02Å; R216-P406 HydrophobicContact CG-CG 3.97Å; R216-W441 HydrophobicContact CG-CH2 4.24Å; R216-W441 HydrophobicContact CG-CZ3 3.87Å
217	A	98.9	Very high	97.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-44.7	176.6	0	0	0	0	0	112.1	F191 D204 E214 L219 L220 A221 V227 A229	F191-A217 HydrophobicContact CD2-CB 3.74Å; F191-A217 HydrophobicContact CE2-CB 4.12Å; D204-A217 HydrophobicContact CB-CB 4.15Å; E214-A217 PolarHBondContact O-N 3.03Å; A217-L219 PolarHBondContact O-N 3.2Å; A217-L220 PolarHBondContact O-N 2.99Å; A217-A221 PolarHBondContact O-N 3.21Å; A217-V227 HydrophobicContact CB-CB 4.08Å; A217-V227 HydrophobicContact CB-CG1 3.63Å; A217-A229 HydrophobicContact CB-CB 3.83Å
218	S	98.9	Very high	97.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-44.3	179	62.7	0	0	0	0	112.9	V140 F171 P173 E214 Y215 A221	V140-S218 WeakPolarHBondContact CG1-OG 3.36Å; F171-S218 WeakPolarHBondContact O-CB 3.35Å; F171-S218 PolarHBondContact O-OG 3.38Å; P173-S218 WeakPolarHBondContact CD-O 3.36Å; P173-S218 WeakPolarHBondContact CG-O 3.24Å; E214-S218 PolarHBondContact O-N 2.81Å; E214-S218 PolarHBondContact O-OG 2.61Å; Y215-S218 WeakPolarHBondContact CA-OG 3.35Å; Y215-S218 PolarHBondContact O-OG 3.16Å; S218-A221 PolarHBondContact O-N 2.85Å
219	L	98.9	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.6	-40.1	177	-68	171.2	0	0	0	111.7	C56 W57 D58 F171 Y215 R216 A217 A221 G222 P406 W441	C56-L219 HydrophobicContact CB-CD2 4.29Å; W57-L219 HydrophobicContact CB-CD1 4.48Å; W57-L219 HydrophobicContact CB-CD2 4.43Å; D58-L219 HydrophobicContact CB-CD1 4.45Å; F171-L219 HydrophobicContact CD1-CD1 4.18Å; F171-L219 HydrophobicContact CD1-CG 4.47Å; F171-L219 HydrophobicContact CE1-CD1 4.46Å; Y215-L219 VanDerWaalsContact O-CG 3.26Å; Y215-L219 WeakPolarHBondContact O-CG 3.5Å; Y215-L219 PolarHBondContact O-N 3.34Å; Y215-L219 VanDerWaalsContact O-N 3.1Å; R216-L219 PolarHBondContact O-N 3.44Å; A217-L219 PolarHBondContact O-N 3.2Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 2.78Å; L219-G222 PolarHBondContact O-N 2.99Å; L219-G222 VanDerWaalsContact O-N 3.12Å; L219-P406 HydrophobicContact CD1-CB 3.95Å; L219-P406 HydrophobicContact CD1-CG 4.27Å; L219-W441 HydrophobicContact CB-CH2 4.13Å; L219-W441 HydrophobicContact CB-CZ2 3.9Å
220	L	98.9	Very high	98.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.2	-32.4	179.6	-170.1	58.8	0	0	0	112.4	I202 R216 A217 G222 K223 F225 V227 L271 W441 L444 Q445	I202-L220 HydrophobicContact CD1-CD2 3.86Å; R216-L220 VanDerWaalsContact O-CB 3.29Å; R216-L220 WeakPolarHBondContact O-CB 3.44Å; R216-L220 PolarHBondContact O-N 2.79Å; A217-L220 PolarHBondContact O-N 2.99Å; L220-G222 PolarHBondContact O-N 3.05Å; L220-K223 HydrophobicContact CD1-CB 4.46Å; L220-K223 HydrophobicContact CD1-CG 4.3Å; L220-K223 WeakPolarHBondContact O-CA 3.26Å; L220-K223 WeakPolarHBondContact O-CB 3.49Å; L220-K223 PolarHBondContact O-N 3.25Å; L220-F225 HydrophobicContact CD1-CD2 3.89Å; L220-F225 HydrophobicContact CD1-CE2 4.12Å; L220-F225 HydrophobicContact CG-CD2 3.95Å; L220-V227 HydrophobicContact CB-CG2 4.06Å; L220-V227 HydrophobicContact CD2-CG1 4.38Å; L220-V227 HydrophobicContact CD2-CG2 4.08Å; L220-V227 HydrophobicContact CG-CG2 3.99Å; L220-L271 HydrophobicContact CD2-CD2 3.78Å; L220-W441 HydrophobicContact CB-CH2 3.71Å; L220-W441 HydrophobicContact CB-CZ2 4.31Å; L220-W441 HydrophobicContact CD1-CH2 4Å; L220-W441 HydrophobicContact CD1-CZ2 4.29Å; L220-W441 HydrophobicContact CD1-CZ3 4.43Å; L220-W441 HydrophobicContact CG-CH2 4.4Å; L220-L444 HydrophobicContact CD1-CD1 3.67Å; L220-L444 HydrophobicContact CD2-CD1 4.33Å; L220-Q445 HydrophobicContact CD1-CG 4.08Å
221	A	98.8	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.8	-26.9	172.9	0	0	0	0	0	112.5	V176 F191 A217 S218 L219 K223 G224 F225 V227	V176-A221 HydrophobicContact CG1-CB 3.72Å; V176-A221 HydrophobicContact CG2-CB 4.21Å; F191-A221 HydrophobicContact CB-CB 3.58Å; A217-A221 PolarHBondContact O-N 3.21Å; S218-A221 PolarHBondContact O-N 2.85Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 2.78Å; A221-K223 PolarHBondContact O-N 3.09Å; A221-K223 VanDerWaalsContact O-N 3.08Å; A221-G224 PolarHBondContact O-N 3.06Å; A221-F225 VanDerWaalsContact CA-O 3.29Å; A221-F225 WeakPolarHBondContact CA-O 3.2Å; A221-V227 HydrophobicContact CB-CG2 4.45Å
222	G	98.3	Very high	98.8	Very high	7 Å²	7	6.5 Å²	6.5	7%	0.072	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-9.8	170	0	0	0	0	0	114.7	L219 L220 I459	L219-G222 PolarHBondContact O-N 2.99Å; L219-G222 VanDerWaalsContact O-N 3.12Å; L220-G222 PolarHBondContact O-N 3.05Å; G222-I459 WeakPolarHBondContact O-CD1 3.41Å
223	K	98.2	Very high	98.7	Very high	21 Å²	21	6.9 Å²	6.9	9%	0.091	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	14.1	179.8	-41.6	-58	174.5	-167.1	0	112.6	D58 L220 A221 F225 Q445 H449	D58-K223 IonicContact OD1-NZ 3.32Å; D58-K223 WeakPolarHBondContact OD2-CE 3.31Å; D58-K223 IonicContact OD2-NZ 2.75Å; D58-K223 PolarHBondContact OD2-NZ 3.14Å; L220-K223 HydrophobicContact CD1-CB 4.46Å; L220-K223 HydrophobicContact CD1-CG 4.3Å; L220-K223 WeakPolarHBondContact O-CA 3.26Å; L220-K223 WeakPolarHBondContact O-CB 3.49Å; L220-K223 PolarHBondContact O-N 3.25Å; A221-K223 PolarHBondContact O-N 3.09Å; A221-K223 VanDerWaalsContact O-N 3.08Å; K223-F225 HydrophobicContact CB-CD2 4.11Å; K223-F225 HydrophobicContact CB-CE2 4.12Å; K223-Q445 HydrophobicContact CB-CG 4.36Å; K223-Q445 HydrophobicContact CG-CG 4.2Å; K223-H449 PolarHBondContact O-CE1 3.36Å; K223-H449 PolarHBondContact O-NE2 3.36Å
224	G	97.8	Very high	98.7	Very high	22 Å²	22	9.9 Å²	9.9	23%	0.227	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	21	173.5	0	0	0	0	0	115.4	P200 A221	P200-G224 WeakPolarHBondContact CD-O 3.4Å; A221-G224 PolarHBondContact O-N 3.06Å
225	F	98.8	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.			trans	-109.7	143.5	177.7	-59.2	-74.9	0	0	0	111.9	P193 P200 I202 L220 A221 K223 V227 F448 H449	P193-F225 VanDerWaalsContact CD-O 3.29Å; P193-F225 WeakPolarHBondContact CD-O 3.4Å; P193-F225 WeakPolarHBondContact CG-O 3.27Å; P200-F225 HydrophobicContact CB-CD1 4Å; P200-F225 HydrophobicContact CB-CE1 4.35Å; P200-F225 HydrophobicContact CG-CD1 4.2Å; P200-F225 HydrophobicContact CG-CE1 4.39Å; P200-F225 WeakPolarHBondContact O-CA 3.39Å; I202-F225 HydrophobicContact CD1-CB 3.91Å; I202-F225 HydrophobicContact CD1-CD1 3.65Å; I202-F225 HydrophobicContact CD1-CD2 4.19Å; I202-F225 HydrophobicContact CD1-CE1 4.18Å; I202-F225 HydrophobicContact CD1-CG 3.65Å; I202-F225 HydrophobicContact CG1-CB 4.49Å; I202-F225 HydrophobicContact CG1-CD1 4.35Å; L220-F225 HydrophobicContact CD1-CD2 3.89Å; L220-F225 HydrophobicContact CD1-CE2 4.12Å; L220-F225 HydrophobicContact CG-CD2 3.95Å; A221-F225 VanDerWaalsContact CA-O 3.29Å; A221-F225 WeakPolarHBondContact CA-O 3.2Å; K223-F225 HydrophobicContact CB-CD2 4.11Å; K223-F225 HydrophobicContact CB-CE2 4.12Å; F225-V227 HydrophobicContact CB-CG2 3.56Å; F225-V227 PolarHBondContact O-N 3.41Å; F225-F448 HydrophobicContact CE1-CB 3.67Å; F225-F448 HydrophobicContact CE2-CB 4.48Å; F225-F448 HydrophobicContact CZ-CB 3.61Å; F225-H449 AromaticContact CE1-CD2 3.75Å; F225-H449 AromaticContact CE1-NE2 3.98Å; F225-H449 AromaticContact CE2-CE1 3.53Å; F225-H449 AromaticContact CE2-NE2 3.5Å; F225-H449 WeakPolarHBondContact CE2-NE2 3.43Å; F225-H449 HydrophobicContact CZ-CB 4.42Å; F225-H449 AromaticContact CZ-CD2 3.31Å; F225-H449 WeakPolarHBondContact CZ-CD2 3.29Å; F225-H449 AromaticContact CZ-CE1 3.49Å; F225-H449 VanDerWaalsContact CZ-CE1 3.49Å; F225-H449 WeakPolarHBondContact CZ-CE1 3.37Å; F225-H449 AromaticContact CZ-CG 3.55Å; F225-H449 AromaticContact CZ-ND1 3.67Å; F225-H449 AromaticContact CZ-NE2 3.26Å; F225-H449 VanDerWaalsContact CZ-NE2 3.26Å; F225-H449 WeakPolarHBondContact CZ-NE2 3.41Å
226	A	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	110	163	0	0	0	0	0	108.3	F191 L192 F199 P200 G201 I202 V263	F191-A226 CarbonylContact O-C 3.59Å; F191-A226 WeakPolarHBondContact O-CA 3Å; L192-A226 HydrophobicContact CD2-CB 3.52Å; F199-A226 HydrophobicContact CB-CB 3.98Å; P200-A226 PolarHBondContact O-N 3.46Å; G201-A226 CarbonylContact C-O 3.53Å; G201-A226 VanDerWaalsContact CA-O 3.28Å; G201-A226 WeakPolarHBondContact CA-O 3.29Å; I202-A226 PolarHBondContact N-O 2.87Å; A226-V263 HydrophobicContact CB-CG2 3.84Å
227	V	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.2	-171	-165.4	0	0	0	0	110.8	F191 I202 D204 A217 L220 A221 F225	F191-V227 PolarHBondContact N-O 3.15Å; F191-V227 PolarHBondContact O-N 3.07Å; I202-V227 HydrophobicContact CB-CG1 4.15Å; I202-V227 HydrophobicContact CB-CG2 4.32Å; I202-V227 HydrophobicContact CG2-CG1 4.2Å; I202-V227 CarbonylContact O-C 3.56Å; I202-V227 WeakPolarHBondContact O-CA 3.23Å; D204-V227 HydrophobicContact CB-CG1 3.81Å; A217-V227 HydrophobicContact CB-CB 4.08Å; A217-V227 HydrophobicContact CB-CG1 3.63Å; L220-V227 HydrophobicContact CB-CG2 4.06Å; L220-V227 HydrophobicContact CD2-CG1 4.38Å; L220-V227 HydrophobicContact CD2-CG2 4.08Å; L220-V227 HydrophobicContact CG-CG2 3.99Å; A221-V227 HydrophobicContact CB-CG2 4.45Å; F225-V227 HydrophobicContact CB-CG2 3.56Å; F225-V227 PolarHBondContact O-N 3.41Å
228	M	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.7	176.1	-174.3	172.4	64	0	0	110.6	V181 T189 L190 I202 V203 D204 L230 A253 Y256 L257	V181-M228 HydrophobicContact CG1-SD 4.36Å; V181-M228 HydrophobicContact CG2-CG 4.49Å; V181-M228 HydrophobicContact CG2-SD 4.07Å; T189-M228 CarbonylContact O-C 3.46Å; T189-M228 WeakPolarHBondContact O-CA 3.42Å; L190-M228 HydrophobicContact CD1-CB 4.15Å; I202-M228 PolarHBondContact O-N 3.06Å; V203-M228 HydrophobicContact CG2-CE 4.25Å; D204-M228 PolarHBondContact N-O 3.32Å; M228-L230 PolarHBondContact O-N 2.74Å; M228-A253 HydrophobicContact CE-CB 3.92Å; M228-A253 VanDerWaalsContact CE-O 3.31Å; M228-A253 WeakPolarHBondContact CE-O 3.19Å; M228-Y256 HydrophobicContact CE-CD1 4.36Å; M228-Y256 HydrophobicContact SD-CD1 3.68Å; M228-Y256 HydrophobicContact SD-CE1 3.82Å; M228-L257 HydrophobicContact CB-CD1 4.12Å; M228-L257 HydrophobicContact CB-CD2 4.41Å; M228-L257 HydrophobicContact CE-CB 4.21Å
229	A	98.9	Very high	98.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.8	165.4	0	0	0	0	0	108.5	G188 T189 L212 E214 A217	G188-A229 CarbonylContact C-O 3.6Å; G188-A229 WeakPolarHBondContact CA-O 3.47Å; T189-A229 PolarHBondContact N-O 3.23Å; T189-A229 PolarHBondContact O-N 3.45Å; L212-A229 HydrophobicContact CD1-CB 3.82Å; L212-A229 WeakPolarHBondContact CD1-O 3.45Å; E214-A229 HydrophobicContact CG-CB 4.43Å; A217-A229 HydrophobicContact CB-CB 3.83Å
230	L	98.9	Very high	98.6	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.9	-174.4	-178.7	62.5	0	0	0	110.8	V186 V203 D204 M205 M228 Y249 F250 A253	V186-L230 HydrophobicContact CG1-CD1 4.04Å; V203-L230 HydrophobicContact CG1-CB 3.87Å; V203-L230 HydrophobicContact CG1-CD2 3.73Å; V203-L230 HydrophobicContact CG1-CG 4.45Å; D204-L230 PolarHBondContact O-N 2.73Å; M205-L230 HydrophobicContact CG-CB 4.24Å; M205-L230 HydrophobicContact CG-CD2 4.45Å; M205-L230 HydrophobicContact SD-CD2 4.32Å; M228-L230 PolarHBondContact O-N 2.74Å; L230-Y249 HydrophobicContact CD1-CE1 3.98Å; L230-Y249 HydrophobicContact CD2-CE1 4.44Å; L230-Y249 HydrophobicContact CG-CE1 4.3Å; L230-F250 HydrophobicContact CD2-CD1 3.88Å; L230-F250 HydrophobicContact CD2-CE1 4.39Å; L230-A253 HydrophobicContact CD1-CB 3.67Å; L230-A253 HydrophobicContact CD2-CB 3.72Å; L230-A253 HydrophobicContact CG-CB 4.37Å
231	A	98.9	Very high	98.4	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	20%	0.196	C	C	.	.			trans	-82	152.9	166.2	0	0	0	0	0	109.1	R187 L212 Y235 L238 Y249	R187-A231 PolarHBondContact O-N 3.3Å; R187-A231 VanDerWaalsContact O-N 3.11Å; L212-A231 HydrophobicContact CB-CB 4.23Å; L212-A231 HydrophobicContact CD1-CB 3.98Å; A231-Y235 HydrophobicContact CB-CD1 3.6Å; A231-Y235 HydrophobicContact CB-CE1 4.44Å; A231-Y235 HydrophobicContact CB-CG 3.83Å; A231-L238 HydrophobicContact CB-CD1 3.87Å; A231-Y249 VanDerWaalsContact O-CE1 3.23Å; A231-Y249 WeakPolarHBondContact O-CE1 3.24Å; A231-Y249 VanDerWaalsContact O-CZ 3.28Å; A231-Y249 PolarHBondContact O-OH 3.5Å
232	Y	98.8	Very high	98.2	Very high	15 Å²	15	38.2 Å²	38.2	6%	0.059	20%	0.2	C	C	.	.			trans	-140.5	-5.8	176.9	55.7	-95.2	0	0	0	114.2	F206 G207 M242 L245 F250 L279	F206-Y232 WeakPolarHBondContact O-CE1 3.25Å; F206-Y232 PolarHBondContact O-OH 3.22Å; G207-Y232 PolarHBondContact O-OH 3.15Å; Y232-M242 HydrophobicContact CD2-SD 4.36Å; Y232-M242 HydrophobicContact CE2-CG 4.29Å; Y232-M242 HydrophobicContact CE2-SD 3.62Å; Y232-L245 HydrophobicContact CD2-CD1 4.33Å; Y232-L245 HydrophobicContact CD2-CD2 4.22Å; Y232-F250 HydrophobicContact CD1-CE1 4.24Å; Y232-F250 HydrophobicContact CD2-CZ 4.42Å; Y232-F250 HydrophobicContact CG-CE1 4.1Å; Y232-F250 AromaticContact CG-CZ 3.97Å; Y232-F250 HydrophobicContact CG-CZ 3.97Å; Y232-L279 HydrophobicContact CD1-CD1 4.24Å; Y232-L279 HydrophobicContact CD2-CD1 4.37Å; Y232-L279 HydrophobicContact CE1-CD1 3.98Å; Y232-L279 HydrophobicContact CE2-CD1 4.13Å; Y232-L279 HydrophobicContact CG-CD1 4.42Å
233	Y	98.6	Very high	98.1	Very high	24 Å²	24	44.4 Å²	44.4	9%	0.094	23%	0.227	C	C	.	.	S	Bend	trans	-164.2	161.7	168.3	81	-69.4	0	0	0	111.8	T208 G209 G210 G211 Y235 P239 M242	T208-Y233 WeakPolarHBondContact CA-OH 3.4Å; G209-Y233 PolarHBondContact N-OH 2.92Å; G210-Y233 VanDerWaalsContact N-CZ 3.33Å; G210-Y233 PolarHBondContact N-OH 2.98Å; G211-Y233 PolarHBondContact N-O 2.95Å; Y233-Y235 VanDerWaalsContact C-N 3.27Å; Y233-Y235 PolarHBondContact O-N 3.26Å; Y233-P239 CarbonylContact C-O 3.53Å; Y233-P239 WeakPolarHBondContact CA-O 3.33Å; Y233-P239 WeakPolarHBondContact CB-O 3.29Å; Y233-M242 HydrophobicContact CD1-CB 4.33Å; Y233-M242 HydrophobicContact CD1-CG 4.33Å; Y233-M242 HydrophobicContact CD1-SD 4.47Å; Y233-M242 HydrophobicContact CD2-CB 4.06Å; Y233-M242 HydrophobicContact CE1-CB 4.49Å; Y233-M242 HydrophobicContact CE1-SD 4.26Å; Y233-M242 HydrophobicContact CE2-CB 4.23Å; Y233-M242 HydrophobicContact CG-CB 4.08Å; Y233-M242 HydrophobicContact CG-CG 4.43Å
234	N	98.1	Very high	98.1	Very high	85 Å²	85	46.5 Å²	46.5	46%	0.455	24%	0.242	S	C	.	.	S	Bend	trans	50.8	43.6	176.8	-167.5	36	0	0	0	113	G211 P239	G211-N234 WeakPolarHBondContact CA-O 3.37Å; G211-N234 PolarHBondContact N-O 3.22Å; N234-P239 PolarHBondContact N-O 2.94Å
235	Y	98.7	Very high	98.1	Very high	51 Å²	51	46.1 Å²	46.1	20%	0.2	24%	0.235	C	C	.	.	S	Bend	trans	-147.2	127.2	179.5	-178.2	-103.7	0	0	0	109.7	R187 L212 A231 Y233 D237 L238	R187-Y235 HydrophobicContact CB-CD1 3.97Å; R187-Y235 HydrophobicContact CB-CE1 4.18Å; L212-Y235 HydrophobicContact CB-CD1 4.38Å; L212-Y235 HydrophobicContact CB-CD2 3.72Å; L212-Y235 HydrophobicContact CB-CE1 4.27Å; L212-Y235 HydrophobicContact CB-CE2 3.56Å; L212-Y235 HydrophobicContact CB-CG 4.13Å; L212-Y235 HydrophobicContact CD2-CE1 4.07Å; L212-Y235 HydrophobicContact CD2-CE2 4.35Å; A231-Y235 HydrophobicContact CB-CD1 3.6Å; A231-Y235 HydrophobicContact CB-CE1 4.44Å; A231-Y235 HydrophobicContact CB-CG 3.83Å; Y233-Y235 VanDerWaalsContact C-N 3.27Å; Y233-Y235 PolarHBondContact O-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.21Å; Y235-L238 VanDerWaalsContact O-CB 3.25Å; Y235-L238 WeakPolarHBondContact O-CB 3.3Å; Y235-L238 WeakPolarHBondContact O-CG 3.26Å; Y235-L238 PolarHBondContact O-N 2.66Å
236	E	98.5	Very high	98.1	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-120	-176.3	-64.5	-177.8	-174.6	0	0	112.2	R182 R187	R182-E236 IonicContact CZ-OE1 2.77Å; R182-E236 IonicContact CZ-OE2 2.94Å; R182-E236 IonicContact NE-OE1 3.39Å; R182-E236 PolarHBondContact NE-OE1 2.75Å; R182-E236 IonicContact NE-OE2 2.99Å; R182-E236 PolarHBondContact NE-OE2 2.7Å; R182-E236 IonicContact NH2-OE1 3.29Å; R182-E236 PolarHBondContact NH2-OE1 2.92Å; R182-E236 IonicContact NH2-OE2 2.85Å; R187-E236 WeakPolarHBondContact CD-OE2 3.05Å
237	D	98.4	Very high	98.1	Very high	104 Å²	104	50.2 Å²	50.2	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	5.6	-178.7	58	-23.2	0	0	0	113.9	R187 Y235	R187-D237 WeakPolarHBondContact CD-OD1 3.18Å; R187-D237 WeakPolarHBondContact CG-OD1 3.46Å; R187-D237 IonicContact CZ-OD1 2.69Å; R187-D237 IonicContact CZ-OD2 2.8Å; R187-D237 VanDerWaalsContact CZ-OD2 3.29Å; R187-D237 IonicContact NE-OD1 3.56Å; R187-D237 IonicContact NH1-OD1 3.93Å; R187-D237 PolarHBondContact NH1-OD1 3.06Å; R187-D237 IonicContact NH1-OD2 3.83Å; R187-D237 PolarHBondContact NH1-OD2 3.31Å; R187-D237 IonicContact NH2-OD2 3.88Å; R187-D237 PolarHBondContact NH2-OD2 2.79Å; Y235-D237 PolarHBondContact O-N 3.21Å
238	L	98.8	Very high	98.1	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.094	26%	0.264	C	S	.	.	S	Bend	trans	-69.5	158.5	174.8	-66.1	179.3	0	0	0	112.2	R187 A231 Y235 K240 Y249	R187-L238 HydrophobicContact CB-CD1 3.99Å; R187-L238 HydrophobicContact CB-CD2 4.47Å; R187-L238 HydrophobicContact CB-CG 4.13Å; R187-L238 HydrophobicContact CG-CD1 4.34Å; R187-L238 HydrophobicContact CG-CD2 4.07Å; R187-L238 HydrophobicContact CG-CG 3.91Å; A231-L238 HydrophobicContact CB-CD1 3.87Å; Y235-L238 VanDerWaalsContact O-CB 3.25Å; Y235-L238 WeakPolarHBondContact O-CB 3.3Å; Y235-L238 WeakPolarHBondContact O-CG 3.26Å; Y235-L238 PolarHBondContact O-N 2.66Å; L238-K240 PolarHBondContact O-N 2.89Å; L238-Y249 HydrophobicContact CD2-CE2 3.79Å
239	P	98.3	Very high	98.1	Very high	87 Å²	87	53 Å²	53	57%	0.565	27%	0.266	S	S	*	.			trans	-50.7	139.4	173.2	-27.5	35.7	0	0	0	112.4	Y233 N234 T241	Y233-P239 CarbonylContact C-O 3.53Å; Y233-P239 WeakPolarHBondContact CA-O 3.33Å; Y233-P239 WeakPolarHBondContact CB-O 3.29Å; N234-P239 PolarHBondContact N-O 2.94Å; P239-T241 VanDerWaalsContact C-N 3.3Å; P239-T241 PolarHBondContact O-N 3.01Å
240	K	97.4	Very high	98.1	Very high	176 Å²	176	53 Å²	53	77%	0.765	27%	0.266	S	S	*	.	S	Bend	trans	-71.9	-23.1	-178.4	-68.7	-175	177.3	-179.5	0	113.7	L238	L238-K240 PolarHBondContact O-N 2.89Å
241	T	95.3	Very high	98.1	Very high	72 Å²	72	55 Å²	55	44%	0.442	28%	0.275	S	S	.	.			trans	-119.8	165.9	-177.3	71.1	0	0	0	0	110.4	P239	P239-T241 VanDerWaalsContact C-N 3.3Å; P239-T241 PolarHBondContact O-N 3.01Å
242	M	95.1	Very high	98.1	Very high	20 Å²	20	58.4 Å²	58.4	10%	0.099	29%	0.291	C	S	.	.			trans	-114.8	24.7	178.3	-158.7	-165.2	73.9	0	0	111	T208 Y232 Y233 T244 L245 K275	T208-M242 HydrophobicContact CG2-CE 4.16Å; T208-M242 HydrophobicContact CG2-SD 4.33Å; Y232-M242 HydrophobicContact CD2-SD 4.36Å; Y232-M242 HydrophobicContact CE2-CG 4.29Å; Y232-M242 HydrophobicContact CE2-SD 3.62Å; Y233-M242 HydrophobicContact CD1-CB 4.33Å; Y233-M242 HydrophobicContact CD1-CG 4.33Å; Y233-M242 HydrophobicContact CD1-SD 4.47Å; Y233-M242 HydrophobicContact CD2-CB 4.06Å; Y233-M242 HydrophobicContact CE1-CB 4.49Å; Y233-M242 HydrophobicContact CE1-SD 4.26Å; Y233-M242 HydrophobicContact CE2-CB 4.23Å; Y233-M242 HydrophobicContact CG-CB 4.08Å; Y233-M242 HydrophobicContact CG-CG 4.43Å; M242-T244 PolarHBondContact O-N 2.99Å; M242-L245 HydrophobicContact CG-CD1 3.47Å; M242-L245 VanDerWaalsContact CG-CD1 3.47Å; M242-L245 HydrophobicContact CG-CD2 3.81Å; M242-L245 HydrophobicContact CG-CG 3.6Å; M242-L245 HydrophobicContact SD-CD1 3.78Å; M242-K275 HydrophobicContact CE-CD 3.98Å; M242-K275 VanDerWaalsContact CE-CE 3.49Å; M242-K275 HydrophobicContact CE-CG 4.03Å; M242-K275 HydrophobicContact SD-CD 4.45Å; M242-K275 HydrophobicContact SD-CG 3.96Å
243	E	95.9	Very high	98.1	Very high	137 Å²	137	57.7 Å²	57.7	64%	0.64	29%	0.288	S	S	*	.	S	Bend	trans	-61.7	-32.2	-179.2	-71.2	176.6	-168.7	0	0	111.8	G305 T306	E243-G305 CarbonylContact O-C 3.39Å; E243-G305 WeakPolarHBondContact O-CA 3.17Å; E243-T306 PolarHBondContact O-N 3.48Å
244	T	98.1	Very high	98.1	Very high	65 Å²	65	56.7 Å²	56.7	40%	0.399	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.9	174.4	-56.6	0	0	0	0	109.5	M242 T306 H308	M242-T244 PolarHBondContact O-N 2.99Å; T244-T306 CarbonylContact C-O 3.58Å; T244-T306 WeakPolarHBondContact CA-O 3.36Å; T244-H308 WeakPolarHBondContact CG2-CD2 3.26Å
245	L	98.7	Very high	98.2	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.9	174	-73	178.1	0	0	0	110.1	Y232 M242 F250 L279 T306 L307 H308	Y232-L245 HydrophobicContact CD2-CD1 4.33Å; Y232-L245 HydrophobicContact CD2-CD2 4.22Å; M242-L245 HydrophobicContact CG-CD1 3.47Å; M242-L245 VanDerWaalsContact CG-CD1 3.47Å; M242-L245 HydrophobicContact CG-CD2 3.81Å; M242-L245 HydrophobicContact CG-CG 3.6Å; M242-L245 HydrophobicContact SD-CD1 3.78Å; L245-F250 HydrophobicContact CD1-CZ 4.46Å; L245-L279 HydrophobicContact CD1-CD2 4.15Å; L245-T306 PolarHBondContact N-O 3.23Å; L245-L307 HydrophobicContact CB-CD1 3.62Å; L245-L307 WeakPolarHBondContact O-CA 3.26Å; L245-H308 PolarHBondContact O-N 2.88Å
246	H	98.8	Very high	98.2	Very high	85 Å²	85	56 Å²	56	39%	0.394	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.5	-180	-66.8	-84.8	0	0	0	109.4	E248 Y249 F250	H246-E248 PolarHBondContact O-N 3.43Å; H246-Y249 VanDerWaalsContact O-CB 3.31Å; H246-Y249 WeakPolarHBondContact O-CB 3.37Å; H246-Y249 PolarHBondContact O-N 3Å; H246-F250 WeakPolarHBondContact O-CD2 3.43Å
247	L	98.9	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-19.4	-179.8	-76.5	-176.1	0	0	0	113.2	Y249 F250 E251 M283 F286 L287 L307 H308 Y309	L247-Y249 PolarHBondContact O-N 3.11Å; L247-F250 HydrophobicContact CD2-CD2 3.95Å; L247-F250 HydrophobicContact CD2-CE2 4.49Å; L247-F250 HydrophobicContact CD2-CG 4.38Å; L247-F250 PolarHBondContact O-N 2.9Å; L247-E251 PolarHBondContact O-N 2.77Å; L247-M283 HydrophobicContact CD2-CG 4.15Å; L247-F286 HydrophobicContact CD1-CB 3.72Å; L247-F286 HydrophobicContact CD1-CD2 3.4Å; L247-F286 HydrophobicContact CD1-CE2 4.25Å; L247-F286 HydrophobicContact CD1-CG 3.76Å; L247-L287 HydrophobicContact CB-CD2 4.47Å; L247-L307 HydrophobicContact CD1-CD2 4.12Å; L247-L307 HydrophobicContact CD1-CG 4.47Å; L247-L307 HydrophobicContact CD2-CD1 4Å; L247-L307 HydrophobicContact CD2-CD2 4.21Å; L247-L307 HydrophobicContact CD2-CG 4.46Å; L247-L307 HydrophobicContact CG-CD1 3.96Å; L247-L307 HydrophobicContact CG-CD2 4.11Å; L247-L307 HydrophobicContact CG-CG 4.09Å; L247-H308 PolarHBondContact N-O 3.06Å; L247-Y309 HydrophobicContact CB-CD2 3.62Å; L247-Y309 HydrophobicContact CB-CE2 4.44Å; L247-Y309 HydrophobicContact CB-CG 4.05Å
248	E	98.9	Very high	98.2	Very high	46 Å²	46	48.9 Å²	48.9	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-57.3	-32	170.7	-65.3	84.2	172.6	0	0	111.9	R185 H246 F250 E251 E252 Y309 K310	R185-E248 PolarHBondContact NH2-O 3.44Å; H246-E248 PolarHBondContact O-N 3.43Å; E248-F250 VanDerWaalsContact C-N 3.34Å; E248-E251 PolarHBondContact O-N 2.91Å; E248-E252 WeakPolarHBondContact O-CG 3.31Å; E248-E252 PolarHBondContact O-N 2.96Å; E248-Y309 HydrophobicContact CG-CD2 4.26Å; E248-Y309 HydrophobicContact CG-CE2 4.21Å; E248-K310 PolarHBondContact OE1-N 3.13Å
249	Y	98.9	Very high	98.2	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-42.7	175.5	172.3	-98	0	0	0	111.4	R185 R187 L230 A231 L238 H246 L247 E252 A253	R185-Y249 HydrophobicContact CG-CD2 4.01Å; R185-Y249 HydrophobicContact CG-CE2 4.42Å; R185-Y249 WeakPolarHBondContact O-CE2 3.45Å; R187-Y249 PolarHBondContact N-OH 2.96Å; R187-Y249 VanDerWaalsContact N-OH 3.12Å; R187-Y249 PolarHBondContact O-OH 2.66Å; L230-Y249 HydrophobicContact CD1-CE1 3.98Å; L230-Y249 HydrophobicContact CD2-CE1 4.44Å; L230-Y249 HydrophobicContact CG-CE1 4.3Å; A231-Y249 VanDerWaalsContact O-CE1 3.23Å; A231-Y249 WeakPolarHBondContact O-CE1 3.24Å; A231-Y249 VanDerWaalsContact O-CZ 3.28Å; A231-Y249 PolarHBondContact O-OH 3.5Å; L238-Y249 HydrophobicContact CD2-CE2 3.79Å; H246-Y249 VanDerWaalsContact O-CB 3.31Å; H246-Y249 WeakPolarHBondContact O-CB 3.37Å; H246-Y249 PolarHBondContact O-N 3Å; L247-Y249 PolarHBondContact O-N 3.11Å; Y249-E252 PolarHBondContact O-N 2.8Å; Y249-A253 PolarHBondContact O-N 3.21Å; Y249-A253 VanDerWaalsContact O-N 3.09Å
250	F	98.9	Very high	98.2	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-75.3	-32.3	-179.5	-59.4	-93.7	0	0	0	111.3	M205 L230 Y232 L245 H246 L247 E248 A253 M254 L279 M283	M205-F250 HydrophobicContact SD-CD1 3.95Å; M205-F250 HydrophobicContact SD-CE1 3.97Å; L230-F250 HydrophobicContact CD2-CD1 3.88Å; L230-F250 HydrophobicContact CD2-CE1 4.39Å; Y232-F250 HydrophobicContact CD1-CE1 4.24Å; Y232-F250 HydrophobicContact CD2-CZ 4.42Å; Y232-F250 HydrophobicContact CG-CE1 4.1Å; Y232-F250 AromaticContact CG-CZ 3.97Å; Y232-F250 HydrophobicContact CG-CZ 3.97Å; L245-F250 HydrophobicContact CD1-CZ 4.46Å; H246-F250 WeakPolarHBondContact O-CD2 3.43Å; L247-F250 HydrophobicContact CD2-CD2 3.95Å; L247-F250 HydrophobicContact CD2-CE2 4.49Å; L247-F250 HydrophobicContact CD2-CG 4.38Å; L247-F250 PolarHBondContact O-N 2.9Å; E248-F250 VanDerWaalsContact C-N 3.34Å; F250-A253 PolarHBondContact O-N 3.03Å; F250-M254 WeakPolarHBondContact O-CB 3.38Å; F250-M254 PolarHBondContact O-N 3.31Å; F250-L279 HydrophobicContact CE1-CD1 3.83Å; F250-L279 HydrophobicContact CE1-CD2 4.23Å; F250-L279 HydrophobicContact CE1-CG 4.47Å; F250-L279 HydrophobicContact CE2-CD2 4.17Å; F250-L279 HydrophobicContact CZ-CD1 3.8Å; F250-L279 HydrophobicContact CZ-CD2 3.8Å; F250-L279 HydrophobicContact CZ-CG 4.39Å; F250-M283 HydrophobicContact CB-CE 3.96Å; F250-M283 HydrophobicContact CB-CG 3.93Å; F250-M283 HydrophobicContact CB-SD 3.82Å; F250-M283 HydrophobicContact CD1-SD 3.92Å; F250-M283 HydrophobicContact CG-CG 4.41Å; F250-M283 HydrophobicContact CG-SD 4.19Å
251	E	98.9	Very high	98.2	Very high	47 Å²	47	46.4 Å²	46.4	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-45.2	170.4	-172.3	169.1	-158.4	0	0	111.2	L247 E248 A253 M254 N255 L287 Y309	L247-E251 PolarHBondContact O-N 2.77Å; E248-E251 PolarHBondContact O-N 2.91Å; E251-A253 PolarHBondContact O-N 3.37Å; E251-M254 HydrophobicContact CG-CE 4.45Å; E251-M254 PolarHBondContact O-N 3.4Å; E251-N255 VanDerWaalsContact O-CB 3.31Å; E251-N255 WeakPolarHBondContact O-CB 3.03Å; E251-N255 PolarHBondContact O-N 3.12Å; E251-N255 PolarHBondContact O-ND2 3.49Å; E251-L287 HydrophobicContact CB-CD1 3.94Å; E251-L287 HydrophobicContact CB-CD2 3.94Å; E251-L287 HydrophobicContact CG-CD2 4.23Å; E251-Y309 PolarHBondContact OE1-OH 2.83Å; E251-Y309 VanDerWaalsContact OE2-CE2 3.23Å; E251-Y309 WeakPolarHBondContact OE2-CE2 3.49Å; E251-Y309 PolarHBondContact OE2-OH 3.05Å
252	E	98.9	Very high	98.4	Very high	75 Å²	75	44.7 Å²	44.7	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-44	174	-75.2	166.3	-143.7	0	0	112.5	R185 V186 E248 Y249 N255 Y256	R185-E252 WeakPolarHBondContact CD-OE2 3.22Å; R185-E252 WeakPolarHBondContact CG-OE2 3.31Å; R185-E252 IonicContact CZ-OE1 3.06Å; R185-E252 IonicContact CZ-OE2 3.61Å; R185-E252 IonicContact NE-OE1 3.73Å; R185-E252 PolarHBondContact NE-OE1 3.34Å; R185-E252 IonicContact NE-OE2 3.73Å; R185-E252 PolarHBondContact NE-OE2 2.91Å; R185-E252 IonicContact NH2-OE1 3.78Å; R185-E252 PolarHBondContact NH2-OE1 2.68Å; R185-E252 IonicContact NH2-OE2 2.6Å; V186-E252 HydrophobicContact CG2-CB 3.84Å; E248-E252 WeakPolarHBondContact O-CG 3.31Å; E248-E252 PolarHBondContact O-N 2.96Å; Y249-E252 PolarHBondContact O-N 2.8Å; E252-N255 PolarHBondContact O-N 2.71Å; E252-Y256 WeakPolarHBondContact O-CB 3.37Å; E252-Y256 PolarHBondContact O-N 2.9Å
253	A	98.9	Very high	98.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-45.4	178	0	0	0	0	0	112.2	V186 M228 L230 Y249 F250 E251 Y256 L257	V186-A253 HydrophobicContact CG1-CB 3.79Å; V186-A253 HydrophobicContact CG2-CB 4.1Å; M228-A253 HydrophobicContact CE-CB 3.92Å; M228-A253 VanDerWaalsContact CE-O 3.31Å; M228-A253 WeakPolarHBondContact CE-O 3.19Å; L230-A253 HydrophobicContact CD1-CB 3.67Å; L230-A253 HydrophobicContact CD2-CB 3.72Å; L230-A253 HydrophobicContact CG-CB 4.37Å; Y249-A253 PolarHBondContact O-N 3.21Å; Y249-A253 VanDerWaalsContact O-N 3.09Å; F250-A253 PolarHBondContact O-N 3.03Å; E251-A253 PolarHBondContact O-N 3.37Å; A253-Y256 WeakPolarHBondContact O-CB 3.3Å; A253-Y256 PolarHBondContact O-N 2.79Å; A253-L257 PolarHBondContact O-N 2.92Å
254	M	98.6	Very high	98.6	Very high	3 Å²	3	43 Å²	43	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-43.4	175.9	174.3	-171.5	75	0	0	111.8	F250 E251 L257 L258 V268 L287 K288 I290	F250-M254 WeakPolarHBondContact O-CB 3.38Å; F250-M254 PolarHBondContact O-N 3.31Å; E251-M254 HydrophobicContact CG-CE 4.45Å; E251-M254 PolarHBondContact O-N 3.4Å; M254-L257 PolarHBondContact O-N 3.17Å; M254-L258 HydrophobicContact CG-CD1 4.15Å; M254-L258 PolarHBondContact O-N 3.29Å; M254-V268 HydrophobicContact CG-CG1 4.47Å; M254-V268 HydrophobicContact CG-CG2 3.72Å; M254-V268 HydrophobicContact SD-CG2 4.22Å; M254-L287 HydrophobicContact CE-CB 4.37Å; M254-K288 WeakPolarHBondContact CE-O 3.32Å; M254-I290 HydrophobicContact SD-CD1 4.1Å; M254-I290 HydrophobicContact SD-CG1 3.59Å; M254-I290 VanDerWaalsContact SD-CG1 3.59Å
255	N	98.8	Very high	98.4	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-39.3	177.8	-72.7	-24.2	0	0	0	111.8	E251 E252 L257 L258 S259	E251-N255 VanDerWaalsContact O-CB 3.31Å; E251-N255 WeakPolarHBondContact O-CB 3.03Å; E251-N255 PolarHBondContact O-N 3.12Å; E251-N255 PolarHBondContact O-ND2 3.49Å; E252-N255 PolarHBondContact O-N 2.71Å; N255-L257 VanDerWaalsContact C-N 3.35Å; N255-L257 PolarHBondContact O-N 3.36Å; N255-L258 PolarHBondContact O-N 3.08Å; N255-S259 VanDerWaalsContact O-CB 3.31Å; N255-S259 WeakPolarHBondContact O-CB 3.02Å; N255-S259 PolarHBondContact O-N 2.87Å; N255-S259 PolarHBondContact O-OG 2.78Å
256	Y	98.8	Very high	98.2	Very high	43 Å²	43	46.6 Å²	46.6	17%	0.169	26%	0.255	C	S	.	.	H	α-helix	trans	-55.6	-50.9	170.5	165.5	-97.1	0	0	0	110.8	V181 V183 M228 E252 A253 L258 S259 H260	V181-Y256 HydrophobicContact CB-CE1 4.2Å; V181-Y256 HydrophobicContact CG1-CD1 3.86Å; V181-Y256 HydrophobicContact CG1-CE1 3.47Å; V181-Y256 VanDerWaalsContact CG1-CE1 3.47Å; V181-Y256 HydrophobicContact CG1-CE2 4.22Å; V181-Y256 HydrophobicContact CG1-CG 4.39Å; V181-Y256 HydrophobicContact CG2-CE1 3.6Å; V183-Y256 HydrophobicContact CB-CD2 4Å; V183-Y256 HydrophobicContact CB-CE2 4.19Å; V183-Y256 HydrophobicContact CG1-CD2 4.09Å; V183-Y256 HydrophobicContact CG2-CD2 3.93Å; V183-Y256 HydrophobicContact CG2-CE2 3.6Å; M228-Y256 HydrophobicContact CE-CD1 4.36Å; M228-Y256 HydrophobicContact SD-CD1 3.68Å; M228-Y256 HydrophobicContact SD-CE1 3.82Å; E252-Y256 WeakPolarHBondContact O-CB 3.37Å; E252-Y256 PolarHBondContact O-N 2.9Å; A253-Y256 WeakPolarHBondContact O-CB 3.3Å; A253-Y256 PolarHBondContact O-N 2.79Å; Y256-L258 PolarHBondContact O-N 3.06Å; Y256-S259 PolarHBondContact O-N 3.49Å; Y256-S259 VanDerWaalsContact O-N 3.14Å; Y256-S259 PolarHBondContact O-OG 3.42Å; Y256-H260 PolarHBondContact O-N 2.92Å
257	L	98.8	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-43.7	-179.4	-171.4	64.2	0	0	0	111.9	L190 I202 V203 M228 A253 M254 N255 S259 H260 V263 V268	L190-L257 HydrophobicContact CD1-CD1 3.65Å; I202-L257 WeakPolarHBondContact O-CD2 3.48Å; V203-L257 HydrophobicContact CG2-CD2 3.7Å; M228-L257 HydrophobicContact CB-CD1 4.12Å; M228-L257 HydrophobicContact CB-CD2 4.41Å; M228-L257 HydrophobicContact CE-CB 4.21Å; A253-L257 PolarHBondContact O-N 2.92Å; M254-L257 PolarHBondContact O-N 3.17Å; N255-L257 VanDerWaalsContact C-N 3.35Å; N255-L257 PolarHBondContact O-N 3.36Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 2.8Å; L257-H260 WeakPolarHBondContact O-CB 3.49Å; L257-H260 PolarHBondContact O-N 2.9Å; L257-V263 HydrophobicContact CD1-CG2 3.91Å; L257-V263 HydrophobicContact CG-CG2 4.29Å; L257-V263 VanDerWaalsContact O-CB 3.28Å; L257-V263 WeakPolarHBondContact O-CB 3.38Å; L257-V263 WeakPolarHBondContact O-CG1 3.14Å; L257-V263 WeakPolarHBondContact O-CG2 3.23Å; L257-V268 HydrophobicContact CD2-CG1 4.06Å; L257-V268 HydrophobicContact CG-CG1 4.41Å
258	L	98.3	Very high	98.2	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-30.3	176	-77.9	171.3	0	0	0	113.4	M254 N255 Y256 H260 V268	M254-L258 HydrophobicContact CG-CD1 4.15Å; M254-L258 PolarHBondContact O-N 3.29Å; N255-L258 PolarHBondContact O-N 3.08Å; Y256-L258 PolarHBondContact O-N 3.06Å; L258-H260 VanDerWaalsContact C-N 3.31Å; L258-V268 HydrophobicContact CD1-CG1 4.36Å; L258-V268 HydrophobicContact CD2-CG1 3.58Å; L258-V268 HydrophobicContact CG-CG1 3.61Å
259	S	98.4	Very high	98.2	Very high	88 Å²	88	40.6 Å²	40.6	62%	0.615	23%	0.229	S	C	*	.	H	α-helix	trans	-79.9	-12.2	178.3	74	0	0	0	0	113.8	N255 Y256 L257	N255-S259 VanDerWaalsContact O-CB 3.31Å; N255-S259 WeakPolarHBondContact O-CB 3.02Å; N255-S259 PolarHBondContact O-N 2.87Å; N255-S259 PolarHBondContact O-OG 2.78Å; Y256-S259 PolarHBondContact O-N 3.49Å; Y256-S259 VanDerWaalsContact O-N 3.14Å; Y256-S259 PolarHBondContact O-OG 3.42Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 2.8Å
260	H	98.6	Very high	98.2	Very high	24 Å²	24	40 Å²	40	11%	0.111	23%	0.226	C	C	.	.	S	Bend	trans	-67.3	131.7	-177.2	-168.1	-83.5	0	0	0	110.6	Y256 L257 L258 E262 V263	Y256-H260 PolarHBondContact O-N 2.92Å; L257-H260 WeakPolarHBondContact O-CB 3.49Å; L257-H260 PolarHBondContact O-N 2.9Å; L258-H260 VanDerWaalsContact C-N 3.31Å; H260-E262 IonicContact CE1-OE1 3.96Å; H260-E262 PolarHBondContact ND1-N 3.23Å; H260-E262 PolarHBondContact O-N 2.78Å; H260-E262 VanDerWaalsContact O-N 3.08Å; H260-V263 HydrophobicContact CB-CB 4.25Å; H260-V263 HydrophobicContact CB-CG2 3.82Å; H260-V263 PolarHBondContact O-N 3.31Å
261	P	98.2	Very high	98.2	Very high	116 Å²	116	39.9 Å²	39.9	75%	0.753	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.2	-171.8	24.7	-35.8	0	0	0	113.9
262	E	98.4	Very high	98.2	Very high	36 Å²	36	37.7 Å²	37.7	17%	0.168	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	10	178.3	-58.6	-172	-102.2	0	0	113.8	R177 P198 F199 H260	R177-E262 IonicContact CZ-OE1 3.17Å; R177-E262 IonicContact CZ-OE2 2.85Å; R177-E262 IonicContact NH1-OE1 2.76Å; R177-E262 PolarHBondContact NH1-OE1 3.32Å; R177-E262 IonicContact NH1-OE2 3.81Å; R177-E262 PolarHBondContact NH1-OE2 2.65Å; R177-E262 IonicContact NH2-OE1 3.34Å; R177-E262 PolarHBondContact NH2-OE1 2.79Å; R177-E262 IonicContact NH2-OE2 3.53Å; R177-E262 PolarHBondContact NH2-OE2 2.94Å; P198-E262 CarbonylContact C-O 3.51Å; P198-E262 VanDerWaalsContact CA-O 3.31Å; P198-E262 WeakPolarHBondContact CA-O 3.35Å; F199-E262 HydrophobicContact CD2-CB 4.31Å; F199-E262 WeakPolarHBondContact CD2-O 3.32Å; F199-E262 HydrophobicContact CE2-CB 4.4Å; F199-E262 PolarHBondContact N-O 3.01Å; H260-E262 IonicContact CE1-OE1 3.96Å; H260-E262 PolarHBondContact ND1-N 3.23Å; H260-E262 PolarHBondContact O-N 2.78Å; H260-E262 VanDerWaalsContact O-N 3.08Å
263	V	98.5	Very high	98.2	Very high	13 Å²	13	34.2 Å²	34.2	8%	0.079	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-103.3	128.9	174.7	174.1	0	0	0	0	109.9	F199 A226 L257 H260	F199-V263 CarbonylContact O-C 3.48Å; F199-V263 WeakPolarHBondContact O-CA 3.3Å; A226-V263 HydrophobicContact CB-CG2 3.84Å; L257-V263 HydrophobicContact CD1-CG2 3.91Å; L257-V263 HydrophobicContact CG-CG2 4.29Å; L257-V263 VanDerWaalsContact O-CB 3.28Å; L257-V263 WeakPolarHBondContact O-CB 3.38Å; L257-V263 WeakPolarHBondContact O-CG1 3.14Å; L257-V263 WeakPolarHBondContact O-CG2 3.23Å; H260-V263 HydrophobicContact CB-CB 4.25Å; H260-V263 HydrophobicContact CB-CG2 3.82Å; H260-V263 PolarHBondContact O-N 3.31Å
264	K	97.3	Very high	98.2	Very high	110 Å²	110	34.7 Å²	34.7	48%	0.478	20%	0.203	S	C	.	.			trans	-71.1	-35.5	-167.8	-176.1	176	174.6	173.7	0	114.4	P198 F199 G453	P198-K264 HydrophobicContact CB-CB 4.2Å; P198-K264 HydrophobicContact CG-CB 4.29Å; P198-K264 HydrophobicContact CG-CG 4.44Å; F199-K264 WeakPolarHBondContact O-CB 3.38Å; F199-K264 PolarHBondContact O-N 2.76Å; K264-G453 PolarHBondContact NZ-O 3.11Å
265	G	93.2	Very high	98.2	Very high	19 Å²	19	34.9 Å²	34.9	20%	0.196	20%	0.203	C	C	.	.			trans	62.5	-168.4	-170.5	0	0	0	0	0	113.6	G267	G265-G267 VanDerWaalsContact C-N 3.34Å
266	P	96.2	Very high	98.2	Very high	134 Å²	134	31.1 Å²	31.1	87%	0.87	18%	0.184	S	C	*	.	S	Bend	cis	-79.7	-8.5	2.3	33.3	-36.8	0	0	0	114.4
267	G	97.4	Very high	98.2	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	18%	0.175	C	C	.	.	S	Bend	trans	-133.2	178.4	173.8	0	0	0	0	0	111.5	G265 G289 T291	G265-G267 VanDerWaalsContact C-N 3.34Å; G267-G289 CarbonylContact C-O 3.56Å; G267-G289 WeakPolarHBondContact CA-O 3.45Å; G267-T291 WeakPolarHBondContact CA-OG1 3.49Å
268	V	98.8	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	159.3	178.9	-58.5	0	0	0	0	112.3	G201 M254 L257 L258 L270 G289 I290 T291	G201-V268 WeakPolarHBondContact O-CA 3.48Å; M254-V268 HydrophobicContact CG-CG1 4.47Å; M254-V268 HydrophobicContact CG-CG2 3.72Å; M254-V268 HydrophobicContact SD-CG2 4.22Å; L257-V268 HydrophobicContact CD2-CG1 4.06Å; L257-V268 HydrophobicContact CG-CG1 4.41Å; L258-V268 HydrophobicContact CD1-CG1 4.36Å; L258-V268 HydrophobicContact CD2-CG1 3.58Å; L258-V268 HydrophobicContact CG-CG1 3.61Å; V268-L270 HydrophobicContact CG2-CD2 4.06Å; V268-G289 PolarHBondContact N-O 2.94Å; V268-I290 HydrophobicContact CG2-CG1 4.5Å; V268-T291 PolarHBondContact O-N 3.23Å
269	G	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	150.4	159.1	0	0	0	0	0	111.8	G201 I202 V203 A292	G201-G269 PolarHBondContact O-N 3.27Å; I202-G269 CarbonylContact C-O 3.59Å; I202-G269 VanDerWaalsContact CA-O 3.28Å; I202-G269 WeakPolarHBondContact CA-O 3.31Å; V203-G269 PolarHBondContact N-O 3.03Å; G269-A292 CarbonylContact C-O 3.56Å; G269-A292 VanDerWaalsContact CA-O 3.25Å; G269-A292 WeakPolarHBondContact CA-O 3.29Å
270	L	98.9	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.7	167.1	-54.8	-178.9	0	0	0	109.8	V203 V268 C280 M283 I290 A292 A293 V294 F448	V203-L270 HydrophobicContact CB-CD2 3.78Å; V203-L270 HydrophobicContact CG2-CD2 4.09Å; V268-L270 HydrophobicContact CG2-CD2 4.06Å; L270-C280 HydrophobicContact CB-CB 4.17Å; L270-C280 HydrophobicContact CD1-CB 4.36Å; L270-M283 HydrophobicContact CD1-CB 3.73Å; L270-M283 HydrophobicContact CD1-CE 4.01Å; L270-M283 HydrophobicContact CD1-SD 4.11Å; L270-M283 HydrophobicContact CD2-CE 3.62Å; L270-M283 HydrophobicContact CD2-SD 4.38Å; L270-I290 HydrophobicContact CD1-CD1 3.85Å; L270-I290 HydrophobicContact CD1-CG1 4.07Å; L270-I290 HydrophobicContact CD1-CG2 3.76Å; L270-I290 HydrophobicContact CG-CG1 4.43Å; L270-I290 HydrophobicContact CG-CG2 3.88Å; L270-A292 PolarHBondContact N-O 2.94Å; L270-A293 HydrophobicContact CB-CB 4.1Å; L270-A293 CarbonylContact O-C 3.48Å; L270-A293 VanDerWaalsContact O-CA 3.28Å; L270-A293 WeakPolarHBondContact O-CA 3.24Å; L270-V294 PolarHBondContact O-N 3.26Å; L270-F448 WeakPolarHBondContact O-CZ 3.45Å
271	L	99	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.6	173.7	174.8	58.6	0	0	0	109	I202 V203 D204 M205 R216 L220 V294 I296 L444 F448	I202-L271 HydrophobicContact CG2-CB 3.94Å; V203-L271 PolarHBondContact O-N 3.31Å; D204-L271 CarbonylContact C-O 3.57Å; D204-L271 WeakPolarHBondContact CA-O 3.36Å; M205-L271 PolarHBondContact N-O 3.39Å; R216-L271 HydrophobicContact CG-CD2 4.22Å; L220-L271 HydrophobicContact CD2-CD2 3.78Å; L271-V294 HydrophobicContact CD1-CB 3.83Å; L271-V294 HydrophobicContact CD1-CG1 3.78Å; L271-I296 HydrophobicContact CD1-CD1 3.91Å; L271-I296 HydrophobicContact CD1-CG1 4.32Å; L271-L444 HydrophobicContact CD1-CD2 4.28Å; L271-F448 HydrophobicContact CB-CE2 4.08Å; L271-F448 HydrophobicContact CB-CZ 3.96Å; L271-F448 HydrophobicContact CD1-CE2 4.38Å
272	G	98.9	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.3	-175.7	0	0	0	0	0	112.9	M205 C280 V294 I296	M205-G272 WeakPolarHBondContact O-CA 3.48Å; G272-C280 VanDerWaalsContact CA-SG 3.52Å; G272-C280 PolarHBondContact N-SG 3.17Å; G272-C280 VanDerWaalsContact N-SG 3.41Å; G272-V294 PolarHBondContact N-O 3.15Å; G272-I296 PolarHBondContact O-N 3.19Å
273	I	98.9	Very high	98.3	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.015	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.4	168.9	-174.6	171	0	0	0	111.1	M205 F206 G207 K275 G276 G277 I296	M205-I273 PolarHBondContact O-N 3.04Å; M205-I273 VanDerWaalsContact O-N 3.12Å; F206-I273 CarbonylContact C-O 3.48Å; F206-I273 HydrophobicContact CD1-CG2 3.69Å; F206-I273 HydrophobicContact CE1-CG2 4.13Å; F206-I273 HydrophobicContact CG-CG2 4.22Å; G207-I273 PolarHBondContact N-O 3.37Å; I273-K275 PolarHBondContact O-N 3.27Å; I273-G276 WeakPolarHBondContact O-CA 3.34Å; I273-G276 PolarHBondContact O-N 2.88Å; I273-G277 PolarHBondContact O-N 3.49Å; I273-I296 CarbonylContact C-O 3.58Å; I273-I296 VanDerWaalsContact CA-O 3.24Å; I273-I296 WeakPolarHBondContact CA-O 3.48Å; I273-I296 HydrophobicContact CB-CB 4.06Å; I273-I296 HydrophobicContact CB-CG2 4.45Å; I273-I296 HydrophobicContact CD1-CG2 4.08Å; I273-I296 HydrophobicContact CG1-CB 4.1Å; I273-I296 HydrophobicContact CG1-CG2 4Å
274	S	98.6	Very high	98.3	Very high	10 Å²	10	14 Å²	14	7%	0.07	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-128.3	176.5	-173.5	0	0	0	0	111	G276 G277 E278 I296 N297 H402	S274-G276 PolarHBondContact O-N 3.49Å; S274-G277 WeakPolarHBondContact O-CA 3.38Å; S274-G277 PolarHBondContact O-N 3.4Å; S274-E278 PolarHBondContact O-N 3.49Å; S274-E278 VanDerWaalsContact O-N 3.08Å; S274-I296 PolarHBondContact N-O 2.91Å; S274-N297 WeakPolarHBondContact CA-O 3.41Å; S274-H402 VanDerWaalsContact CB-NE2 3.26Å; S274-H402 WeakPolarHBondContact CB-NE2 3.44Å; S274-H402 PolarHBondContact OG-NE2 2.75Å
275	K	98.8	Very high	98.4	Very high	6 Å²	6	9.1 Å²	9.1	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-55.9	-31.1	172	-177.6	65.8	-179.9	-167.9	0	112.9	T208 M242 I273 G277 E278 L279 N302 V303	T208-K275 HydrophobicContact CG2-CB 4.06Å; T208-K275 HydrophobicContact CG2-CG 4.31Å; M242-K275 HydrophobicContact CE-CD 3.98Å; M242-K275 VanDerWaalsContact CE-CE 3.49Å; M242-K275 HydrophobicContact CE-CG 4.03Å; M242-K275 HydrophobicContact SD-CD 4.45Å; M242-K275 HydrophobicContact SD-CG 3.96Å; I273-K275 PolarHBondContact O-N 3.27Å; K275-G277 VanDerWaalsContact C-N 3.32Å; K275-G277 PolarHBondContact O-N 2.97Å; K275-E278 HydrophobicContact CD-CB 4.44Å; K275-E278 WeakPolarHBondContact CD-OE1 3.45Å; K275-E278 WeakPolarHBondContact CE-OE1 3.36Å; K275-E278 IonicContact NZ-OE1 3.42Å; K275-E278 PolarHBondContact NZ-OE1 3.25Å; K275-E278 IonicContact NZ-OE2 2.84Å; K275-E278 WeakPolarHBondContact O-CB 3.36Å; K275-E278 PolarHBondContact O-N 3.16Å; K275-L279 HydrophobicContact CG-CD1 4.34Å; K275-L279 WeakPolarHBondContact O-CB 3.36Å; K275-L279 VanDerWaalsContact O-CG 3.31Å; K275-L279 WeakPolarHBondContact O-CG 3.46Å; K275-L279 PolarHBondContact O-N 3.36Å; K275-N302 PolarHBondContact NZ-OD1 2.82Å; K275-N302 VanDerWaalsContact NZ-OD1 3.16Å; K275-V303 PolarHBondContact NZ-O 3.25Å
276	G	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.5	-34	172.4	0	0	0	0	0	112.9	F206 I273 S274 L279 C280	F206-G276 VanDerWaalsContact O-CA 3.29Å; F206-G276 WeakPolarHBondContact O-CA 3.47Å; F206-G276 PolarHBondContact O-N 3Å; I273-G276 WeakPolarHBondContact O-CA 3.34Å; I273-G276 PolarHBondContact O-N 2.88Å; S274-G276 PolarHBondContact O-N 3.49Å; G276-L279 PolarHBondContact O-N 2.9Å; G276-C280 PolarHBondContact O-N 3.07Å; G276-C280 PolarHBondContact O-SG 3.21Å
277	G	98.9	Very high	98.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-69.8	-40.4	173.4	0	0	0	0	0	112.3	I273 S274 K275 L279 C280 L281	I273-G277 PolarHBondContact O-N 3.49Å; S274-G277 WeakPolarHBondContact O-CA 3.38Å; S274-G277 PolarHBondContact O-N 3.4Å; K275-G277 VanDerWaalsContact C-N 3.32Å; K275-G277 PolarHBondContact O-N 2.97Å; G277-L279 VanDerWaalsContact C-N 3.33Å; G277-C280 WeakPolarHBondContact O-CB 3.41Å; G277-C280 PolarHBondContact O-N 2.71Å; G277-L281 PolarHBondContact O-N 3.11Å
278	E	98.9	Very high	98.8	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-61.1	-40.4	170.7	-178.1	-168.9	130.8	0	0	112.1	S274 K275 L281 S282 S299 A301 N302 V303 I351 W371	S274-E278 PolarHBondContact O-N 3.49Å; S274-E278 VanDerWaalsContact O-N 3.08Å; K275-E278 HydrophobicContact CD-CB 4.44Å; K275-E278 WeakPolarHBondContact CD-OE1 3.45Å; K275-E278 WeakPolarHBondContact CE-OE1 3.36Å; K275-E278 IonicContact NZ-OE1 3.42Å; K275-E278 PolarHBondContact NZ-OE1 3.25Å; K275-E278 IonicContact NZ-OE2 2.84Å; K275-E278 WeakPolarHBondContact O-CB 3.36Å; K275-E278 PolarHBondContact O-N 3.16Å; E278-L281 PolarHBondContact O-N 2.84Å; E278-S282 PolarHBondContact O-N 3.09Å; E278-S282 PolarHBondContact O-OG 2.92Å; E278-S282 VanDerWaalsContact O-OG 3.05Å; E278-S299 WeakPolarHBondContact CA-O 3.18Å; E278-S299 WeakPolarHBondContact CB-O 3.41Å; E278-S299 WeakPolarHBondContact CG-O 3.29Å; E278-A301 WeakPolarHBondContact CG-O 3.34Å; E278-N302 WeakPolarHBondContact OE1-CA 3.37Å; E278-N302 PolarHBondContact OE1-OD1 2.97Å; E278-V303 PolarHBondContact OE1-N 3.39Å; E278-V303 PolarHBondContact OE2-N 2.99Å; E278-I351 HydrophobicContact CG-CD1 3.58Å; E278-W371 HydrophobicContact CB-CH2 4.42Å
279	L	98.9	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.4	-34.9	173.9	-73.9	166.5	0	0	0	112.2	M205 Y232 L245 F250 K275 G276 G277 L281 S282 M283 L307	M205-L279 HydrophobicContact CE-CB 4.33Å; M205-L279 HydrophobicContact SD-CB 4.17Å; Y232-L279 HydrophobicContact CD1-CD1 4.24Å; Y232-L279 HydrophobicContact CD2-CD1 4.37Å; Y232-L279 HydrophobicContact CE1-CD1 3.98Å; Y232-L279 HydrophobicContact CE2-CD1 4.13Å; Y232-L279 HydrophobicContact CG-CD1 4.42Å; L245-L279 HydrophobicContact CD1-CD2 4.15Å; F250-L279 HydrophobicContact CE1-CD1 3.83Å; F250-L279 HydrophobicContact CE1-CD2 4.23Å; F250-L279 HydrophobicContact CE1-CG 4.47Å; F250-L279 HydrophobicContact CE2-CD2 4.17Å; F250-L279 HydrophobicContact CZ-CD1 3.8Å; F250-L279 HydrophobicContact CZ-CD2 3.8Å; F250-L279 HydrophobicContact CZ-CG 4.39Å; K275-L279 HydrophobicContact CG-CD1 4.34Å; K275-L279 WeakPolarHBondContact O-CB 3.36Å; K275-L279 VanDerWaalsContact O-CG 3.31Å; K275-L279 WeakPolarHBondContact O-CG 3.46Å; K275-L279 PolarHBondContact O-N 3.36Å; G276-L279 PolarHBondContact O-N 2.9Å; G277-L279 VanDerWaalsContact C-N 3.33Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L281 PolarHBondContact O-N 2.87Å; L279-S282 PolarHBondContact O-N 3.44Å; L279-M283 WeakPolarHBondContact O-CB 3.44Å; L279-M283 VanDerWaalsContact O-CG 3.24Å; L279-M283 WeakPolarHBondContact O-CG 3.4Å; L279-M283 PolarHBondContact O-N 2.82Å; L279-L307 HydrophobicContact CD2-CD1 4.33Å
280	C	98.9	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.7	-45	172.3	-68.3	0	0	0	0	111.8	M205 L270 G272 G276 G277 A284 A293 V295	M205-C280 WeakPolarHBondContact CE-SG 3.19Å; L270-C280 HydrophobicContact CB-CB 4.17Å; L270-C280 HydrophobicContact CD1-CB 4.36Å; G272-C280 VanDerWaalsContact CA-SG 3.52Å; G272-C280 PolarHBondContact N-SG 3.17Å; G272-C280 VanDerWaalsContact N-SG 3.41Å; G276-C280 PolarHBondContact O-N 3.07Å; G276-C280 PolarHBondContact O-SG 3.21Å; G277-C280 WeakPolarHBondContact O-CB 3.41Å; G277-C280 PolarHBondContact O-N 2.71Å; C280-A284 VanDerWaalsContact O-CB 3.27Å; C280-A284 WeakPolarHBondContact O-CB 3.49Å; C280-A284 PolarHBondContact O-N 2.87Å; C280-A293 HydrophobicContact CB-CB 4.42Å; C280-V295 HydrophobicContact CB-CG2 4.12Å
281	L	98.9	Very high	98.8	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-63.6	-43.1	176.7	-64.4	178.4	0	0	0	111.4	G277 E278 L279 A284 S285 V295 S299 V300 I351 V353 F360 F362	G277-L281 PolarHBondContact O-N 3.11Å; E278-L281 PolarHBondContact O-N 2.84Å; L279-L281 VanDerWaalsContact C-N 3.33Å; L279-L281 PolarHBondContact O-N 2.87Å; L281-A284 PolarHBondContact O-N 3.24Å; L281-S285 WeakPolarHBondContact O-CB 3.47Å; L281-S285 PolarHBondContact O-N 3.25Å; L281-S285 PolarHBondContact O-OG 3.36Å; L281-V295 HydrophobicContact CD2-CG2 3.87Å; L281-V295 HydrophobicContact CG-CG1 4.5Å; L281-V295 HydrophobicContact CG-CG2 4.13Å; L281-S299 WeakPolarHBondContact CD1-O 3.44Å; L281-V300 HydrophobicContact CD1-CB 4.43Å; L281-V300 HydrophobicContact CD1-CG2 4.41Å; L281-I351 HydrophobicContact CB-CD1 4.34Å; L281-I351 HydrophobicContact CB-CG2 4.2Å; L281-V353 HydrophobicContact CB-CG1 4.14Å; L281-V353 HydrophobicContact CD2-CG1 4.22Å; L281-F360 HydrophobicContact CD2-CD1 3.96Å; L281-F360 HydrophobicContact CD2-CE1 3.74Å; L281-F360 HydrophobicContact CD2-CZ 4.37Å; L281-F362 HydrophobicContact CD1-CE1 4.28Å; L281-F362 HydrophobicContact CD2-CE1 4.05Å; L281-F362 HydrophobicContact CD2-CZ 3.86Å
282	S	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-53.3	177.8	-57.5	0	0	0	0	111.2	E278 L279 A284 S285 F286 L307 I351	E278-S282 PolarHBondContact O-N 3.09Å; E278-S282 PolarHBondContact O-OG 2.92Å; E278-S282 VanDerWaalsContact O-OG 3.05Å; L279-S282 PolarHBondContact O-N 3.44Å; S282-A284 VanDerWaalsContact C-N 3.3Å; S282-A284 PolarHBondContact O-N 3.09Å; S282-S285 PolarHBondContact O-N 3.15Å; S282-F286 WeakPolarHBondContact O-CD2 3.46Å; S282-F286 PolarHBondContact O-N 3.29Å; S282-F286 VanDerWaalsContact O-N 3.08Å; S282-L307 WeakPolarHBondContact OG-CD2 3.46Å; S282-I351 WeakPolarHBondContact OG-CD1 3.39Å
283	M	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-52.9	-48.9	176.1	-72	174.1	68.4	0	0	111.2	M205 L247 F250 L270 L279 S285 F286 L287 I290	M205-M283 HydrophobicContact CE-SD 3.55Å; M205-M283 VanDerWaalsContact CE-SD 3.55Å; M205-M283 HydrophobicContact SD-SD 3.91Å; L247-M283 HydrophobicContact CD2-CG 4.15Å; F250-M283 HydrophobicContact CB-CE 3.96Å; F250-M283 HydrophobicContact CB-CG 3.93Å; F250-M283 HydrophobicContact CB-SD 3.82Å; F250-M283 HydrophobicContact CD1-SD 3.92Å; F250-M283 HydrophobicContact CG-CG 4.41Å; F250-M283 HydrophobicContact CG-SD 4.19Å; L270-M283 HydrophobicContact CD1-CB 3.73Å; L270-M283 HydrophobicContact CD1-CE 4.01Å; L270-M283 HydrophobicContact CD1-SD 4.11Å; L270-M283 HydrophobicContact CD2-CE 3.62Å; L270-M283 HydrophobicContact CD2-SD 4.38Å; L279-M283 WeakPolarHBondContact O-CB 3.44Å; L279-M283 VanDerWaalsContact O-CG 3.24Å; L279-M283 WeakPolarHBondContact O-CG 3.4Å; L279-M283 PolarHBondContact O-N 2.82Å; M283-S285 PolarHBondContact O-N 3.48Å; M283-F286 PolarHBondContact O-N 2.83Å; M283-L287 HydrophobicContact CB-CD1 4.06Å; M283-L287 HydrophobicContact CE-CD1 4.41Å; M283-L287 HydrophobicContact CG-CD1 4.03Å; M283-L287 WeakPolarHBondContact O-CA 3.4Å; M283-L287 VanDerWaalsContact O-CB 3.24Å; M283-L287 WeakPolarHBondContact O-CB 3.35Å; M283-L287 WeakPolarHBondContact O-CG 3.47Å; M283-L287 PolarHBondContact O-N 2.93Å; M283-I290 HydrophobicContact CB-CD1 3.84Å; M283-I290 VanDerWaalsContact O-CD1 3.23Å; M283-I290 WeakPolarHBondContact O-CD1 3.38Å
284	A	98.9	Very high	98.8	Very high	4 Å²	4	14 Å²	14	3%	0.033	8%	0.078	C	C	.	.	H	α-helix	trans	-64.2	-24.8	180	0	0	0	0	0	113.9	C280 L281 S282 I290 A356 F360	C280-A284 VanDerWaalsContact O-CB 3.27Å; C280-A284 WeakPolarHBondContact O-CB 3.49Å; C280-A284 PolarHBondContact O-N 2.87Å; L281-A284 PolarHBondContact O-N 3.24Å; S282-A284 VanDerWaalsContact C-N 3.3Å; S282-A284 PolarHBondContact O-N 3.09Å; A284-I290 HydrophobicContact CB-CD1 4.44Å; A284-I290 HydrophobicContact CB-CG2 4.3Å; A284-A356 HydrophobicContact CB-CB 4.13Å; A284-A356 WeakPolarHBondContact O-CA 3.44Å; A284-A356 WeakPolarHBondContact O-CB 3.25Å; A284-F360 HydrophobicContact CB-CE1 3.8Å; A284-F360 HydrophobicContact CB-CZ 3.67Å
285	S	98.9	Very high	98.8	Very high	6 Å²	6	13.5 Å²	13.5	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-84.7	-32	-179.5	-56.4	0	0	0	0	113.3	L281 S282 M283 V353 R355	L281-S285 WeakPolarHBondContact O-CB 3.47Å; L281-S285 PolarHBondContact O-N 3.25Å; L281-S285 PolarHBondContact O-OG 3.36Å; S282-S285 PolarHBondContact O-N 3.15Å; M283-S285 PolarHBondContact O-N 3.48Å; S285-V353 WeakPolarHBondContact OG-CA 3.43Å; S285-R355 VanDerWaalsContact O-CB 3.23Å; S285-R355 WeakPolarHBondContact O-CB 3.37Å; S285-R355 PolarHBondContact O-NE 3.44Å
286	F	98.9	Very high	98.8	Very high	24 Å²	24	13.4 Å²	13.4	11%	0.105	7%	0.074	C	C	.	.	H	α-helix	trans	-107	-29	-172.7	-68.8	-78.6	0	0	0	113.8	L247 S282 M283 Y309 E312 L314 P352 R355	L247-F286 HydrophobicContact CD1-CB 3.72Å; L247-F286 HydrophobicContact CD1-CD2 3.4Å; L247-F286 HydrophobicContact CD1-CE2 4.25Å; L247-F286 HydrophobicContact CD1-CG 3.76Å; S282-F286 WeakPolarHBondContact O-CD2 3.46Å; S282-F286 PolarHBondContact O-N 3.29Å; S282-F286 VanDerWaalsContact O-N 3.08Å; M283-F286 PolarHBondContact O-N 2.83Å; F286-Y309 HydrophobicContact CB-CD1 3.79Å; F286-Y309 HydrophobicContact CB-CE1 4.19Å; F286-Y309 HydrophobicContact CB-CG 4.26Å; F286-Y309 HydrophobicContact CD1-CD1 4.04Å; F286-Y309 HydrophobicContact CG-CD1 4.26Å; F286-E312 HydrophobicContact CE1-CB 4.22Å; F286-E312 WeakPolarHBondContact CE1-OE2 3.48Å; F286-L314 HydrophobicContact CE2-CD1 3.93Å; F286-L314 HydrophobicContact CZ-CD1 4.1Å; F286-L314 HydrophobicContact CZ-CG 4.33Å; F286-P352 HydrophobicContact CE1-CG 4.21Å; F286-P352 HydrophobicContact CE2-CG 4.03Å; F286-P352 HydrophobicContact CZ-CG 3.59Å; F286-R355 VanDerWaalsContact CD1-NH2 3.31Å; F286-R355 VanDerWaalsContact CE1-NH1 3.28Å
287	L	98.8	Very high	98.8	Very high	11 Å²	11	13.4 Å²	13.4	6%	0.058	7%	0.074	C	C	.	.			trans	-105	158.3	-172.2	-47.2	-178.2	0	0	0	111.9	L247 E251 M254 M283 I290 Y309	L247-L287 HydrophobicContact CB-CD2 4.47Å; E251-L287 HydrophobicContact CB-CD1 3.94Å; E251-L287 HydrophobicContact CB-CD2 3.94Å; E251-L287 HydrophobicContact CG-CD2 4.23Å; M254-L287 HydrophobicContact CE-CB 4.37Å; M283-L287 HydrophobicContact CB-CD1 4.06Å; M283-L287 HydrophobicContact CE-CD1 4.41Å; M283-L287 HydrophobicContact CG-CD1 4.03Å; M283-L287 WeakPolarHBondContact O-CA 3.4Å; M283-L287 VanDerWaalsContact O-CB 3.24Å; M283-L287 WeakPolarHBondContact O-CB 3.35Å; M283-L287 WeakPolarHBondContact O-CG 3.47Å; M283-L287 PolarHBondContact O-N 2.93Å; L287-I290 HydrophobicContact CB-CD1 4.03Å; L287-Y309 HydrophobicContact CD2-CD2 4.14Å; L287-Y309 HydrophobicContact CD2-CE1 4.13Å; L287-Y309 HydrophobicContact CD2-CE2 3.5Å; L287-Y309 VanDerWaalsContact CD2-CZ 3.49Å
288	K	98.1	Very high	98.8	Very high	133 Å²	133	13.7 Å²	13.7	58%	0.578	8%	0.077	S	C	*	.	S	Bend	trans	-98.6	166.8	172	-68.7	-58.1	-163.5	178.5	0	110.9	M254 E357	M254-K288 WeakPolarHBondContact CE-O 3.32Å; K288-E357 IonicContact NZ-OE1 3.49Å; K288-E357 PolarHBondContact NZ-OE1 2.95Å; K288-E357 IonicContact NZ-OE2 3.18Å; K288-E357 PolarHBondContact NZ-OE2 3.35Å
289	G	97.6	Very high	98.8	Very high	31 Å²	31	13.7 Å²	13.7	32%	0.32	8%	0.077	S	C	.	.			trans	83.4	12.7	176.2	0	0	0	0	0	115.3	G267 V268	G267-G289 CarbonylContact C-O 3.56Å; G267-G289 WeakPolarHBondContact CA-O 3.45Å; V268-G289 PolarHBondContact N-O 2.94Å
290	I	98.8	Very high	98.8	Very high	16 Å²	16	13.7 Å²	13.7	8%	0.082	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.5	177.1	-61.3	157.3	0	0	0	109.1	M254 V268 L270 M283 A284 L287	M254-I290 HydrophobicContact SD-CD1 4.1Å; M254-I290 HydrophobicContact SD-CG1 3.59Å; M254-I290 VanDerWaalsContact SD-CG1 3.59Å; V268-I290 HydrophobicContact CG2-CG1 4.5Å; L270-I290 HydrophobicContact CD1-CD1 3.85Å; L270-I290 HydrophobicContact CD1-CG1 4.07Å; L270-I290 HydrophobicContact CD1-CG2 3.76Å; L270-I290 HydrophobicContact CG-CG1 4.43Å; L270-I290 HydrophobicContact CG-CG2 3.88Å; M283-I290 HydrophobicContact CB-CD1 3.84Å; M283-I290 VanDerWaalsContact O-CD1 3.23Å; M283-I290 WeakPolarHBondContact O-CD1 3.38Å; A284-I290 HydrophobicContact CB-CD1 4.44Å; A284-I290 HydrophobicContact CB-CG2 4.3Å; L287-I290 HydrophobicContact CB-CD1 4.03Å
291	T	98.8	Very high	98.8	Very high	49 Å²	49	13.7 Å²	13.7	30%	0.301	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-43.6	-176.4	-58.8	0	0	0	0	111.8	G267 V268 T359 H451 L452	G267-T291 WeakPolarHBondContact CA-OG1 3.49Å; V268-T291 PolarHBondContact O-N 3.23Å; T291-T359 PolarHBondContact O-N 2.98Å; T291-H451 VanDerWaalsContact CG2-O 3.27Å; T291-H451 WeakPolarHBondContact CG2-O 3.22Å; T291-L452 HydrophobicContact CG2-CD2 3.95Å
292	A	98.8	Very high	98.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	149.3	-174.6	0	0	0	0	0	111.5	G269 L270 S358 T359 F447 H451 L452	G269-A292 CarbonylContact C-O 3.56Å; G269-A292 VanDerWaalsContact CA-O 3.25Å; G269-A292 WeakPolarHBondContact CA-O 3.29Å; L270-A292 PolarHBondContact N-O 2.94Å; A292-S358 VanDerWaalsContact CA-OG 3.24Å; A292-S358 WeakPolarHBondContact CA-OG 3.4Å; A292-S358 PolarHBondContact N-OG 3.31Å; A292-T359 CarbonylContact C-O 3.59Å; A292-T359 WeakPolarHBondContact CA-O 3.18Å; A292-F447 HydrophobicContact CB-CE1 3.66Å; A292-F447 HydrophobicContact CB-CZ 4Å; A292-H451 HydrophobicContact CB-CB 3.73Å; A292-L452 HydrophobicContact CB-CD2 4.36Å
293	A	98.9	Very high	98.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.8	177.3	0	0	0	0	0	111.8	L270 C280 S358 T359 F360 L361	L270-A293 HydrophobicContact CB-CB 4.1Å; L270-A293 CarbonylContact O-C 3.48Å; L270-A293 VanDerWaalsContact O-CA 3.28Å; L270-A293 WeakPolarHBondContact O-CA 3.24Å; C280-A293 HydrophobicContact CB-CB 4.42Å; A293-S358 PolarHBondContact N-OG 3.3Å; A293-T359 PolarHBondContact N-O 3.49Å; A293-F360 HydrophobicContact CB-CD1 3.75Å; A293-F360 HydrophobicContact CB-CE1 3.85Å; A293-F360 WeakPolarHBondContact O-CA 3.37Å; A293-L361 PolarHBondContact O-N 2.99Å
294	V	98.9	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.7	169.8	178.1	0	0	0	0	108.2	L270 L271 G272 I296 L361 L363 L444 F447 F448	L270-V294 PolarHBondContact O-N 3.26Å; L271-V294 HydrophobicContact CD1-CB 3.83Å; L271-V294 HydrophobicContact CD1-CG1 3.78Å; G272-V294 PolarHBondContact N-O 3.15Å; V294-I296 HydrophobicContact CG1-CG1 4.13Å; V294-L361 WeakPolarHBondContact CA-O 3.41Å; V294-L361 HydrophobicContact CG2-CB 4.27Å; V294-L361 HydrophobicContact CG2-CD2 4.22Å; V294-L363 HydrophobicContact CG1-CD1 3.83Å; V294-L363 HydrophobicContact CG1-CG 4.24Å; V294-L444 HydrophobicContact CG1-CB 4.05Å; V294-L444 HydrophobicContact CG2-CB 4.16Å; V294-F447 HydrophobicContact CG2-CD1 3.35Å; V294-F447 HydrophobicContact CG2-CE1 3.7Å; V294-F447 HydrophobicContact CG2-CG 4.21Å; V294-F448 HydrophobicContact CB-CE2 4.05Å; V294-F448 HydrophobicContact CB-CZ 3.74Å; V294-F448 HydrophobicContact CG2-CD2 4.21Å; V294-F448 HydrophobicContact CG2-CE1 3.87Å; V294-F448 HydrophobicContact CG2-CE2 3.52Å; V294-F448 HydrophobicContact CG2-CZ 3.33Å
295	V	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107.2	-175.6	-179.6	0	0	0	0	108.7	C280 L281 L361 F362 L363	C280-V295 HydrophobicContact CB-CG2 4.12Å; L281-V295 HydrophobicContact CD2-CG2 3.87Å; L281-V295 HydrophobicContact CG-CG1 4.5Å; L281-V295 HydrophobicContact CG-CG2 4.13Å; V295-L361 PolarHBondContact N-O 3.16Å; V295-F362 HydrophobicContact CB-CD1 3.84Å; V295-F362 HydrophobicContact CB-CE1 4Å; V295-F362 HydrophobicContact CG1-CD1 3.94Å; V295-F362 HydrophobicContact CG1-CE1 3.97Å; V295-F362 HydrophobicContact CG2-CE1 4.34Å; V295-F362 WeakPolarHBondContact O-CA 3.41Å; V295-L363 PolarHBondContact O-N 2.89Å
296	I	98.9	Very high	98.4	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.7	-179.7	-51.1	-176.1	0	0	0	108.7	L271 G272 I273 S274 V294 G298 L363 I404 L444	L271-I296 HydrophobicContact CD1-CD1 3.91Å; L271-I296 HydrophobicContact CD1-CG1 4.32Å; G272-I296 PolarHBondContact O-N 3.19Å; I273-I296 CarbonylContact C-O 3.58Å; I273-I296 VanDerWaalsContact CA-O 3.24Å; I273-I296 WeakPolarHBondContact CA-O 3.48Å; I273-I296 HydrophobicContact CB-CB 4.06Å; I273-I296 HydrophobicContact CB-CG2 4.45Å; I273-I296 HydrophobicContact CD1-CG2 4.08Å; I273-I296 HydrophobicContact CG1-CB 4.1Å; I273-I296 HydrophobicContact CG1-CG2 4Å; S274-I296 PolarHBondContact N-O 2.91Å; V294-I296 HydrophobicContact CG1-CG1 4.13Å; I296-G298 PolarHBondContact O-N 3.46Å; I296-G298 VanDerWaalsContact O-N 3.09Å; I296-L363 CarbonylContact C-O 3.59Å; I296-L363 VanDerWaalsContact CA-O 3.31Å; I296-L363 WeakPolarHBondContact CA-O 3.44Å; I296-L363 HydrophobicContact CD1-CD1 4.47Å; I296-L363 HydrophobicContact CG1-CB 4.26Å; I296-L363 HydrophobicContact CG1-CD1 4.27Å; I296-I404 HydrophobicContact CG2-CB 3.76Å; I296-I404 HydrophobicContact CG2-CD1 4.03Å; I296-I404 HydrophobicContact CG2-CG1 4.29Å; I296-I404 HydrophobicContact CG2-CG2 4.41Å; I296-L444 HydrophobicContact CD1-CD2 4.45Å
297	N	98.9	Very high	98.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	45.6	44.5	179.7	-73.3	-25.9	0	0	0	113.4	S274 L363 V364 G365 D368 W371 S373 G401 H402	S274-N297 WeakPolarHBondContact CA-O 3.41Å; N297-L363 PolarHBondContact N-O 3.06Å; N297-V364 WeakPolarHBondContact OD1-CA 3.4Å; N297-G365 PolarHBondContact OD1-N 3.45Å; N297-D368 WeakPolarHBondContact CB-OD2 3.38Å; N297-W371 VanDerWaalsContact O-CE2 3.31Å; N297-W371 WeakPolarHBondContact O-CZ2 3.4Å; N297-W371 PolarHBondContact O-NE1 2.94Å; N297-S373 VanDerWaalsContact CA-OG 3.26Å; N297-S373 WeakPolarHBondContact CA-OG 3.32Å; N297-S373 WeakPolarHBondContact CB-OG 3.31Å; N297-S373 WeakPolarHBondContact OD1-CB 3.4Å; N297-S373 PolarHBondContact OD1-OG 2.86Å; N297-G401 PolarHBondContact ND2-O 2.91Å; N297-H402 WeakPolarHBondContact ND2-CA 3.23Å; N297-H402 PolarHBondContact ND2-O 2.91Å
298	G	98.8	Very high	98.4	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	13%	0.125	C	C	.	.			trans	-89.1	166.2	-179.9	0	0	0	0	0	113.2	I296	I296-G298 PolarHBondContact O-N 3.46Å; I296-G298 VanDerWaalsContact O-N 3.09Å
299	S	98.9	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.1	C	C	.	.			trans	-111.9	143.8	175.6	168.4	0	0	0	0	111.6	E278 L281 A301	E278-S299 WeakPolarHBondContact CA-O 3.18Å; E278-S299 WeakPolarHBondContact CB-O 3.41Å; E278-S299 WeakPolarHBondContact CG-O 3.29Å; L281-S299 WeakPolarHBondContact CD1-O 3.44Å; S299-A301 WeakPolarHBondContact OG-CA 3.42Å; S299-A301 WeakPolarHBondContact OG-CB 3.41Å; S299-A301 PolarHBondContact OG-N 2.89Å; S299-A301 PolarHBondContact OG-O 3.42Å
300	V	98.8	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-88.7	-9.2	168.6	83.6	0	0	0	0	112	L281 F350 I351 V353 Y376 E379 A380	L281-V300 HydrophobicContact CD1-CB 4.43Å; L281-V300 HydrophobicContact CD1-CG2 4.41Å; V300-F350 HydrophobicContact CB-CZ 4.31Å; V300-F350 HydrophobicContact CG1-CD2 4.01Å; V300-F350 HydrophobicContact CG1-CE1 4.27Å; V300-F350 HydrophobicContact CG1-CE2 3.49Å; V300-F350 VanDerWaalsContact CG1-CE2 3.49Å; V300-F350 HydrophobicContact CG1-CZ 3.63Å; V300-F350 HydrophobicContact CG2-CD1 4.24Å; V300-F350 HydrophobicContact CG2-CE1 3.6Å; V300-F350 HydrophobicContact CG2-CE2 4.35Å; V300-F350 HydrophobicContact CG2-CZ 3.67Å; V300-I351 HydrophobicContact CG2-CB 4.39Å; V300-I351 WeakPolarHBondContact O-CB 3Å; V300-I351 WeakPolarHBondContact O-CG1 3.45Å; V300-I351 PolarHBondContact O-N 3.21Å; V300-V353 HydrophobicContact CG2-CG1 3.93Å; V300-V353 HydrophobicContact CG2-CG2 4.4Å; V300-Y376 HydrophobicContact CG1-CD1 4.2Å; V300-E379 HydrophobicContact CG1-CB 4.33Å; V300-A380 HydrophobicContact CB-CB 4.34Å; V300-A380 HydrophobicContact CG2-CB 3.95Å
301	A	98.8	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-88.1	141.3	167.1	0	0	0	0	0	109.6	E278 S299 V303 V317 P341 S349 Y376	E278-A301 WeakPolarHBondContact CG-O 3.34Å; S299-A301 WeakPolarHBondContact OG-CA 3.42Å; S299-A301 WeakPolarHBondContact OG-CB 3.41Å; S299-A301 PolarHBondContact OG-N 2.89Å; S299-A301 PolarHBondContact OG-O 3.42Å; A301-V303 HydrophobicContact CB-CG2 4.29Å; A301-V303 WeakPolarHBondContact O-CG2 3.43Å; A301-V303 PolarHBondContact O-N 2.6Å; A301-V317 HydrophobicContact CB-CB 4.17Å; A301-V317 HydrophobicContact CB-CG1 4.3Å; A301-V317 HydrophobicContact CB-CG2 4.37Å; A301-P341 HydrophobicContact CB-CB 3.72Å; A301-P341 HydrophobicContact CB-CG 3.93Å; A301-S349 CarbonylContact C-O 3.45Å; A301-Y376 HydrophobicContact CB-CE1 4.39Å
302	N	98.8	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.			trans	-73.7	117.8	168.3	172.2	59.4	0	0	0	110	K275 E278 G305 L314 P315 P316 V317 S349	K275-N302 PolarHBondContact NZ-OD1 2.82Å; K275-N302 VanDerWaalsContact NZ-OD1 3.16Å; E278-N302 WeakPolarHBondContact OE1-CA 3.37Å; E278-N302 PolarHBondContact OE1-OD1 2.97Å; N302-G305 PolarHBondContact ND2-O 3.39Å; N302-G305 PolarHBondContact OD1-O 3.44Å; N302-L314 HydrophobicContact CB-CB 3.99Å; N302-L314 HydrophobicContact CB-CD1 4.43Å; N302-L314 PolarHBondContact ND2-O 2.91Å; N302-P315 VanDerWaalsContact ND2-C 3.27Å; N302-P315 PolarHBondContact ND2-O 3.47Å; N302-P316 CarbonylContact O-C 3.16Å; N302-P316 WeakPolarHBondContact O-CA 3.43Å; N302-V317 PolarHBondContact O-N 3.06Å; N302-S349 PolarHBondContact N-O 3.09Å
303	V	97.9	Very high	98.4	Very high	22 Å²	22	27.8 Å²	27.8	13%	0.133	18%	0.175	C	C	.	.			trans	-116.3	140.6	-173	-169.1	0	0	0	0	112.4	K275 E278 A301 G305 V317 L338 W371	K275-V303 PolarHBondContact NZ-O 3.25Å; E278-V303 PolarHBondContact OE1-N 3.39Å; E278-V303 PolarHBondContact OE2-N 2.99Å; A301-V303 HydrophobicContact CB-CG2 4.29Å; A301-V303 WeakPolarHBondContact O-CG2 3.43Å; A301-V303 PolarHBondContact O-N 2.6Å; V303-G305 VanDerWaalsContact C-N 3.34Å; V303-G305 PolarHBondContact O-N 2.94Å; V303-V317 HydrophobicContact CB-CG1 4.33Å; V303-V317 HydrophobicContact CG1-CG1 4.22Å; V303-V317 HydrophobicContact CG2-CG1 3.78Å; V303-L338 HydrophobicContact CG1-CD1 3.91Å; V303-L338 HydrophobicContact CG1-CD2 3.71Å; V303-L338 HydrophobicContact CG1-CG 4.5Å; V303-L338 HydrophobicContact CG2-CD1 4.02Å; V303-W371 HydrophobicContact CB-CZ3 4.13Å; V303-W371 HydrophobicContact CG2-CE3 4.15Å; V303-W371 HydrophobicContact CG2-CZ3 3.69Å
304	G	95.4	Very high	98.4	Very high	55 Å²	55	28.6 Å²	28.6	57%	0.567	18%	0.18	S	C	*	.	S	Bend	trans	86.6	-28.4	164.6	0	0	0	0	0	116.8
305	G	96.4	Very high	98.4	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	19%	0.194	C	C	.	.	S	Bend	trans	-153.4	166.3	177.2	0	0	0	0	0	111.9	E243 N302 V303	E243-G305 CarbonylContact O-C 3.39Å; E243-G305 WeakPolarHBondContact O-CA 3.17Å; N302-G305 PolarHBondContact ND2-O 3.39Å; N302-G305 PolarHBondContact OD1-O 3.44Å; V303-G305 VanDerWaalsContact C-N 3.34Å; V303-G305 PolarHBondContact O-N 2.94Å
306	T	98.6	Very high	98.4	Very high	38 Å²	38	33.5 Å²	33.5	23%	0.233	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.5	177.6	-55.4	0	0	0	0	110.2	E243 T244 L245 H308 T313	E243-T306 PolarHBondContact O-N 3.48Å; T244-T306 CarbonylContact C-O 3.58Å; T244-T306 WeakPolarHBondContact CA-O 3.36Å; L245-T306 PolarHBondContact N-O 3.23Å; T306-H308 WeakPolarHBondContact CG2-NE2 3.26Å; T306-T313 HydrophobicContact CG2-CG2 3.48Å; T306-T313 VanDerWaalsContact CG2-CG2 3.48Å
307	L	98.9	Very high	98.4	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.8	175.5	-171.5	68.8	0	0	0	110	L245 L247 L279 S282 T313 L314	L245-L307 HydrophobicContact CB-CD1 3.62Å; L245-L307 WeakPolarHBondContact O-CA 3.26Å; L247-L307 HydrophobicContact CD1-CD2 4.12Å; L247-L307 HydrophobicContact CD1-CG 4.47Å; L247-L307 HydrophobicContact CD2-CD1 4Å; L247-L307 HydrophobicContact CD2-CD2 4.21Å; L247-L307 HydrophobicContact CD2-CG 4.46Å; L247-L307 HydrophobicContact CG-CD1 3.96Å; L247-L307 HydrophobicContact CG-CD2 4.11Å; L247-L307 HydrophobicContact CG-CG 4.09Å; L279-L307 HydrophobicContact CD2-CD1 4.33Å; S282-L307 WeakPolarHBondContact OG-CD2 3.46Å; L307-T313 CarbonylContact O-C 3.53Å; L307-T313 WeakPolarHBondContact O-CA 3.31Å; L307-L314 HydrophobicContact CB-CB 4.32Å; L307-L314 HydrophobicContact CD2-CD1 4.38Å; L307-L314 PolarHBondContact N-O 2.9Å; L307-L314 PolarHBondContact O-N 3.48Å
308	H	98.8	Very high	98.3	Very high	51 Å²	51	34.5 Å²	34.5	24%	0.236	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.5	176.4	-66	-75.5	0	0	0	111.9	T244 L245 L247 T306 E312 T313	T244-H308 WeakPolarHBondContact CG2-CD2 3.26Å; L245-H308 PolarHBondContact O-N 2.88Å; L247-H308 PolarHBondContact N-O 3.06Å; T306-H308 WeakPolarHBondContact CG2-NE2 3.26Å; H308-E312 WeakPolarHBondContact CA-O 3.47Å; H308-T313 VanDerWaalsContact CE1-CG2 3.41Å; H308-T313 WeakPolarHBondContact CE1-CG2 3.36Å; H308-T313 PolarHBondContact CE1-OG1 3.27Å; H308-T313 VanDerWaalsContact CE1-OG1 3.25Å; H308-T313 PolarHBondContact ND1-OG1 3.02Å
309	Y	98.8	Very high	98.3	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.059	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	112.7	160.2	-173.5	-123.2	0	0	0	109.5	L247 E248 E251 F286 L287 G311 E312	L247-Y309 HydrophobicContact CB-CD2 3.62Å; L247-Y309 HydrophobicContact CB-CE2 4.44Å; L247-Y309 HydrophobicContact CB-CG 4.05Å; E248-Y309 HydrophobicContact CG-CD2 4.26Å; E248-Y309 HydrophobicContact CG-CE2 4.21Å; E251-Y309 PolarHBondContact OE1-OH 2.83Å; E251-Y309 VanDerWaalsContact OE2-CE2 3.23Å; E251-Y309 WeakPolarHBondContact OE2-CE2 3.49Å; E251-Y309 PolarHBondContact OE2-OH 3.05Å; F286-Y309 HydrophobicContact CB-CD1 3.79Å; F286-Y309 HydrophobicContact CB-CE1 4.19Å; F286-Y309 HydrophobicContact CB-CG 4.26Å; F286-Y309 HydrophobicContact CD1-CD1 4.04Å; F286-Y309 HydrophobicContact CG-CD1 4.26Å; L287-Y309 HydrophobicContact CD2-CD2 4.14Å; L287-Y309 HydrophobicContact CD2-CE1 4.13Å; L287-Y309 HydrophobicContact CD2-CE2 3.5Å; L287-Y309 VanDerWaalsContact CD2-CZ 3.49Å; Y309-G311 PolarHBondContact O-N 3.33Å; Y309-G311 VanDerWaalsContact O-N 3.16Å; Y309-E312 PolarHBondContact N-O 2.97Å; Y309-E312 WeakPolarHBondContact O-CB 3.42Å; Y309-E312 PolarHBondContact O-N 2.94Å
310	K	98.1	Very high	98.2	Very high	148 Å²	148	41.1 Å²	41.1	64%	0.643	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-119.5	-175.5	-61.6	167.3	175.5	160.7	0	110.5	E248	E248-K310 PolarHBondContact OE1-N 3.13Å
311	G	98.1	Very high	98	Very high	78 Å²	78	49.2 Å²	49.2	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-3.5	177.7	0	0	0	0	0	114.9	Y309	Y309-G311 PolarHBondContact O-N 3.33Å; Y309-G311 VanDerWaalsContact O-N 3.16Å
312	E	98.7	Very high	97.9	Very high	83 Å²	83	56.5 Å²	56.5	39%	0.388	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144.3	-177.1	-58	-169.2	-111.1	0	0	111.2	F286 H308 Y309 R355	F286-E312 HydrophobicContact CE1-CB 4.22Å; F286-E312 WeakPolarHBondContact CE1-OE2 3.48Å; H308-E312 WeakPolarHBondContact CA-O 3.47Å; Y309-E312 PolarHBondContact N-O 2.97Å; Y309-E312 WeakPolarHBondContact O-CB 3.42Å; Y309-E312 PolarHBondContact O-N 2.94Å; E312-R355 IonicContact OE1-CZ 3.84Å; E312-R355 IonicContact OE1-NH1 2.86Å; E312-R355 PolarHBondContact OE1-NH1 3.49Å; E312-R355 IonicContact OE1-NH2 3.83Å; E312-R355 PolarHBondContact OE1-NH2 2.86Å; E312-R355 IonicContact OE2-CZ 3.73Å; E312-R355 IonicContact OE2-NH1 2.74Å; E312-R355 PolarHBondContact OE2-NH1 2.98Å; E312-R355 IonicContact OE2-NH2 3.47Å
313	T	98.6	Very high	97.9	Very high	73 Å²	73	60 Å²	60	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.1	-178.2	-58.6	0	0	0	0	110.3	T306 L307 H308	T306-T313 HydrophobicContact CG2-CG2 3.48Å; T306-T313 VanDerWaalsContact CG2-CG2 3.48Å; L307-T313 CarbonylContact O-C 3.53Å; L307-T313 WeakPolarHBondContact O-CA 3.31Å; H308-T313 VanDerWaalsContact CE1-CG2 3.41Å; H308-T313 WeakPolarHBondContact CE1-CG2 3.36Å; H308-T313 PolarHBondContact CE1-OG1 3.27Å; H308-T313 VanDerWaalsContact CE1-OG1 3.25Å; H308-T313 PolarHBondContact ND1-OG1 3.02Å
314	L	98.7	Very high	97.8	Very high	17 Å²	17	61.7 Å²	61.7	9%	0.089	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.4	166.4	-59.4	180	0	0	0	108.6	F286 N302 L307 K348 I351	F286-L314 HydrophobicContact CE2-CD1 3.93Å; F286-L314 HydrophobicContact CZ-CD1 4.1Å; F286-L314 HydrophobicContact CZ-CG 4.33Å; N302-L314 HydrophobicContact CB-CB 3.99Å; N302-L314 HydrophobicContact CB-CD1 4.43Å; N302-L314 PolarHBondContact ND2-O 2.91Å; L307-L314 HydrophobicContact CB-CB 4.32Å; L307-L314 HydrophobicContact CD2-CD1 4.38Å; L307-L314 PolarHBondContact N-O 2.9Å; L307-L314 PolarHBondContact O-N 3.48Å; L314-K348 WeakPolarHBondContact CD2-O 3.5Å; L314-I351 HydrophobicContact CD1-CG1 3.99Å
315	P	98.6	Very high	97.9	Very high	48 Å²	48	64.1 Å²	64.1	31%	0.312	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-68.4	157.4	171.7	30.4	-35.2	0	0	0	110.8	N302 K348 S349	N302-P315 VanDerWaalsContact ND2-C 3.27Å; N302-P315 PolarHBondContact ND2-O 3.47Å; P315-K348 WeakPolarHBondContact CD-O 3.43Å; P315-K348 HydrophobicContact CG-CB 3.72Å; P315-S349 WeakPolarHBondContact O-CB 3.27Å
316	P	98.4	Very high	97.9	Very high	54 Å²	54	69 Å²	69	35%	0.351	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-65.2	139.8	170.3	28.3	-33.8	0	0	0	110.4	N302	N302-P316 CarbonylContact O-C 3.16Å; N302-P316 WeakPolarHBondContact O-CA 3.43Å
317	V	98.6	Very high	97.6	Very high	4 Å²	4	69 Å²	69	2%	0.024	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.7	142.5	171.4	74.3	0	0	0	0	110.4	A301 N302 V303 L338 N339 D346 S349	A301-V317 HydrophobicContact CB-CB 4.17Å; A301-V317 HydrophobicContact CB-CG1 4.3Å; A301-V317 HydrophobicContact CB-CG2 4.37Å; N302-V317 PolarHBondContact O-N 3.06Å; V303-V317 HydrophobicContact CB-CG1 4.33Å; V303-V317 HydrophobicContact CG1-CG1 4.22Å; V303-V317 HydrophobicContact CG2-CG1 3.78Å; V317-L338 HydrophobicContact CG1-CB 4.47Å; V317-L338 HydrophobicContact CG1-CD2 4.15Å; V317-N339 HydrophobicContact CG2-CB 4.24Å; V317-N339 WeakPolarHBondContact CG2-O 3.49Å; V317-D346 HydrophobicContact CG2-CB 4.09Å; V317-S349 WeakPolarHBondContact CB-OG 3.05Å
318	G	98.1	Very high	97.2	Very high	22 Å²	22	79 Å²	79	23%	0.227	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-60.6	153.6	178.1	0	0	0	0	0	113	N339 D346	G318-N339 WeakPolarHBondContact O-CB 3.48Å; G318-N339 PolarHBondContact O-N 3.35Å; G318-D346 WeakPolarHBondContact CA-OD1 3.34Å; G318-D346 PolarHBondContact N-OD1 2.86Å
319	V	97.4	Very high	96.8	Very high	83 Å²	83	82.7 Å²	82.7	50%	0.503	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-126.5	134.8	-179.9	-175.4	0	0	0	0	109.2	R321 V337 L338	V319-R321 HydrophobicContact CG1-CG 4.36Å; V319-V337 WeakPolarHBondContact CA-O 3.35Å; V319-V337 HydrophobicContact CG1-CB 4.16Å; V319-V337 HydrophobicContact CG1-CG2 4.22Å; V319-L338 HydrophobicContact CG2-CD2 3.91Å
320	N	97.1	Very high	96.6	Very high	63 Å²	63	84.6 Å²	84.6	34%	0.337	46%	0.462	S	S	.	.			trans	-121.5	99.8	171.3	-177.9	-5.5	0	0	0	109.9	N322 R323 V337	N320-N322 PolarHBondContact O-N 3.33Å; N320-N322 VanDerWaalsContact OD1-CB 3.31Å; N320-N322 WeakPolarHBondContact OD1-CB 3.09Å; N320-N322 PolarHBondContact OD1-N 2.88Å; N320-N322 VanDerWaalsContact OD1-N 3.08Å; N320-R323 WeakPolarHBondContact O-CB 3.43Å; N320-R323 PolarHBondContact O-N 3.11Å; N320-R323 VanDerWaalsContact O-N 3.15Å; N320-V337 PolarHBondContact N-O 2.82Å
321	R	95.2	Very high	96.5	Very high	170 Å²	170	80.6 Å²	80.6	64%	0.642	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-66	-17.4	-178.5	-65.9	-172.8	177.1	-156.4	-2.7	113.8	V319 R323 I324	V319-R321 HydrophobicContact CG1-CG 4.36Å; R321-R323 PolarHBondContact O-N 3.35Å; R321-I324 HydrophobicContact CB-CD1 4.2Å; R321-I324 WeakPolarHBondContact O-CB 3.39Å; R321-I324 VanDerWaalsContact O-CG1 3.25Å; R321-I324 WeakPolarHBondContact O-CG1 3.42Å; R321-I324 PolarHBondContact O-N 3.17Å; R321-I324 VanDerWaalsContact O-N 3.12Å
322	N	97.1	Very high	96.4	Very high	152 Å²	152	77.4 Å²	77.4	81%	0.813	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-68.7	-11.6	175.4	-59.1	-20	0	0	0	112.3	N320 I324	N320-N322 PolarHBondContact O-N 3.33Å; N320-N322 VanDerWaalsContact OD1-CB 3.31Å; N320-N322 WeakPolarHBondContact OD1-CB 3.09Å; N320-N322 PolarHBondContact OD1-N 2.88Å; N320-N322 VanDerWaalsContact OD1-N 3.08Å; N322-I324 VanDerWaalsContact C-N 3.35Å
323	R	97.8	Very high	96.4	Very high	75 Å²	75	74.2 Å²	74.2	28%	0.283	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-88	0.9	174.2	-65.4	-170.7	-78	160.9	-4.9	113.8	N320 R321 K325 D336 V337 L338 N339	N320-R323 WeakPolarHBondContact O-CB 3.43Å; N320-R323 PolarHBondContact O-N 3.11Å; N320-R323 VanDerWaalsContact O-N 3.15Å; R321-R323 PolarHBondContact O-N 3.35Å; R323-K325 PolarHBondContact O-N 2.85Å; R323-D336 HydrophobicContact CB-CB 4.1Å; R323-D336 WeakPolarHBondContact CB-O 3.12Å; R323-D336 VanDerWaalsContact CD-O 3.22Å; R323-D336 WeakPolarHBondContact CD-O 3.45Å; R323-D336 PolarHBondContact NE-O 3.14Å; R323-D336 PolarHBondContact NH1-O 3.28Å; R323-V337 PolarHBondContact NH2-O 2.91Å; R323-V337 VanDerWaalsContact NH2-O 3.1Å; R323-L338 PolarHBondContact NH1-O 3.36Å; R323-L338 PolarHBondContact NH2-O 2.8Å; R323-N339 VanDerWaalsContact NH2-CA 3.3Å; R323-N339 VanDerWaalsContact NH2-N 3.14Å; R323-N339 PolarHBondContact NH2-OD1 3.34Å
324	I	97.2	Very high	96.4	Very high	57 Å²	57	71 Å²	71	29%	0.292	38%	0.375	S	S	.	.			trans	-63.8	128	169.7	-64.6	171.7	0	0	0	108.2	R321 N322 A332 I334 V337	R321-I324 HydrophobicContact CB-CD1 4.2Å; R321-I324 WeakPolarHBondContact O-CB 3.39Å; R321-I324 VanDerWaalsContact O-CG1 3.25Å; R321-I324 WeakPolarHBondContact O-CG1 3.42Å; R321-I324 PolarHBondContact O-N 3.17Å; R321-I324 VanDerWaalsContact O-N 3.12Å; N322-I324 VanDerWaalsContact C-N 3.35Å; I324-A332 HydrophobicContact CG2-CB 3.87Å; I324-I334 HydrophobicContact CG1-CG2 4.35Å; I324-V337 HydrophobicContact CB-CG1 4.46Å; I324-V337 HydrophobicContact CD1-CG1 4.36Å; I324-V337 HydrophobicContact CG1-CG1 3.39Å
325	K	97.6	Very high	96.4	Very high	105 Å²	105	71.4 Å²	71.4	46%	0.457	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153.8	169.9	-60.7	170.6	-164.2	158.7	0	108.9	R323 A332 D333 D336	R323-K325 PolarHBondContact O-N 2.85Å; K325-A332 CarbonylContact O-C 3.57Å; K325-A332 WeakPolarHBondContact O-CA 3.39Å; K325-D333 HydrophobicContact CB-CB 4.19Å; K325-D333 PolarHBondContact N-O 3.28Å; K325-D333 PolarHBondContact O-N 2.95Å; K325-D336 WeakPolarHBondContact CE-OD2 3.24Å; K325-D336 IonicContact NZ-OD2 3.19Å; K325-D336 PolarHBondContact NZ-OD2 2.85Å
326	V	96.3	Very high	96.4	Very high	110 Å²	110	70.7 Å²	70.7	67%	0.667	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	172.8	-176.9	0	0	0	0	107.6
327	T	92.7	Very high	96.3	Very high	38 Å²	38	68.9 Å²	68.9	23%	0.233	36%	0.359	C	S	.	.			trans	-68	166.8	176.4	64.8	0	0	0	0	110.8	D329 G330 Y331 D333 I425	T327-D329 PolarHBondContact O-N 2.85Å; T327-D329 VanDerWaalsContact O-N 3.16Å; T327-G330 PolarHBondContact O-N 3.05Å; T327-Y331 WeakPolarHBondContact CG2-O 3.5Å; T327-Y331 PolarHBondContact N-O 2.81Å; T327-Y331 WeakPolarHBondContact OG1-CB 3.2Å; T327-Y331 PolarHBondContact OG1-N 3Å; T327-Y331 PolarHBondContact OG1-O 2.8Å; T327-D333 HydrophobicContact CG2-CB 4.33Å; T327-I425 HydrophobicContact CG2-CD1 3.78Å; T327-I425 HydrophobicContact CG2-CG1 4.23Å; T327-I425 HydrophobicContact CG2-CG2 4.23Å
328	K	90.5	Very high	96.3	Very high	213 Å²	213	69.9 Å²	69.9	93%	0.926	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.6	177.2	-66.5	-179.2	-178.8	175.8	0	112.9	G330	K328-G330 VanDerWaalsContact C-N 3.3Å
329	D	89.6	Confident	96.3	Very high	128 Å²	128	71 Å²	71	68%	0.684	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	6.6	-178.1	-53.6	-42.6	0	0	0	113	T327 Y331	T327-D329 PolarHBondContact O-N 2.85Å; T327-D329 VanDerWaalsContact O-N 3.16Å; D329-Y331 VanDerWaalsContact C-N 3.33Å; D329-Y331 HydrophobicContact CB-CD2 3.96Å; D329-Y331 HydrophobicContact CB-CE2 3.86Å; D329-Y331 PolarHBondContact O-N 2.82Å
330	G	93.3	Very high	96.4	Very high	56 Å²	56	68.4 Å²	68.4	58%	0.577	35%	0.35	S	S	*	.	S	Bend	trans	82.4	4.6	177.4	0	0	0	0	0	115	T327 K328	T327-G330 PolarHBondContact O-N 3.05Å; K328-G330 VanDerWaalsContact C-N 3.3Å
331	Y	96.4	Very high	96.5	Very high	64 Å²	64	65.4 Å²	65.4	25%	0.251	34%	0.335	S	S	.	.			trans	-77.4	144.3	172.4	-54.7	-48.3	0	0	0	111.5	L132 T327 D329 A414 P423 I425	L132-Y331 HydrophobicContact CD1-CE1 4.49Å; L132-Y331 HydrophobicContact CD2-CD1 4.4Å; L132-Y331 HydrophobicContact CD2-CE1 3.66Å; T327-Y331 WeakPolarHBondContact CG2-O 3.5Å; T327-Y331 PolarHBondContact N-O 2.81Å; T327-Y331 WeakPolarHBondContact OG1-CB 3.2Å; T327-Y331 PolarHBondContact OG1-N 3Å; T327-Y331 PolarHBondContact OG1-O 2.8Å; D329-Y331 VanDerWaalsContact C-N 3.33Å; D329-Y331 HydrophobicContact CB-CD2 3.96Å; D329-Y331 HydrophobicContact CB-CE2 3.86Å; D329-Y331 PolarHBondContact O-N 2.82Å; Y331-A414 HydrophobicContact CD2-CB 4.29Å; Y331-A414 HydrophobicContact CE2-CB 4.29Å; Y331-A414 HydrophobicContact CG-CB 4.38Å; Y331-P423 HydrophobicContact CD1-CB 3.93Å; Y331-P423 HydrophobicContact CE1-CB 4.35Å; Y331-I425 HydrophobicContact CD2-CG2 3.89Å; Y331-I425 HydrophobicContact CG-CG2 4.17Å
332	A	97.5	Very high	96.6	Very high	10 Å²	10	60.3 Å²	60.3	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.5	171.5	0	0	0	0	0	110.8	I324 K325 I334 P423 I424 I425	I324-A332 HydrophobicContact CG2-CB 3.87Å; K325-A332 CarbonylContact O-C 3.57Å; K325-A332 WeakPolarHBondContact O-CA 3.39Å; A332-I334 HydrophobicContact CB-CG2 4.44Å; A332-P423 PolarHBondContact N-O 3.38Å; A332-P423 VanDerWaalsContact N-O 3.11Å; A332-I424 HydrophobicContact CB-CG2 4.09Å; A332-I424 CarbonylContact O-C 3.57Å; A332-I424 WeakPolarHBondContact O-CA 3.36Å; A332-I424 VanDerWaalsContact O-CB 3.29Å; A332-I424 WeakPolarHBondContact O-CB 2.89Å; A332-I425 PolarHBondContact O-N 3.17Å; A332-I425 VanDerWaalsContact O-N 3.07Å
333	D	98.1	Very high	96.6	Very high	16 Å²	16	59.1 Å²	59.1	9%	0.086	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.7	168.9	173	15.1	0	0	0	107.6	K325 T327 V335 H369 I425	K325-D333 HydrophobicContact CB-CB 4.19Å; K325-D333 PolarHBondContact N-O 3.28Å; K325-D333 PolarHBondContact O-N 2.95Å; T327-D333 HydrophobicContact CG2-CB 4.33Å; D333-V335 WeakPolarHBondContact OD1-CB 3.32Å; D333-V335 VanDerWaalsContact OD1-CG1 3.3Å; D333-V335 WeakPolarHBondContact OD1-CG1 3.38Å; D333-V335 PolarHBondContact OD1-N 3.4Å; D333-H369 IonicContact OD1-CE1 3.85Å; D333-H369 IonicContact OD1-CG 4Å; D333-H369 IonicContact OD1-ND1 2.74Å; D333-H369 PolarHBondContact OD1-ND1 3.31Å; D333-H369 IonicContact OD2-CE1 3.75Å; D333-H369 PolarHBondContact OD2-CE1 2.69Å; D333-H369 IonicContact OD2-ND1 2.61Å; D333-H369 PolarHBondContact OD2-ND1 2.89Å; D333-I425 HydrophobicContact CB-CD1 4Å; D333-I425 HydrophobicContact CB-CG1 4.07Å
334	I	98.1	Very high	96.6	Very high	7 Å²	7	58 Å²	58	4%	0.036	32%	0.322	C	S	.	.			trans	-106.9	4.2	-170.7	67.2	165.8	0	0	0	112.9	I324 A332 D336 V337 V420 I424	I324-I334 HydrophobicContact CG1-CG2 4.35Å; A332-I334 HydrophobicContact CB-CG2 4.44Å; I334-D336 PolarHBondContact O-N 2.7Å; I334-V337 HydrophobicContact CB-CG1 3.96Å; I334-V337 HydrophobicContact CB-CG2 4.29Å; I334-V337 HydrophobicContact CG2-CG1 4.46Å; I334-V337 WeakPolarHBondContact O-CG1 3.38Å; I334-V337 VanDerWaalsContact O-CG2 3.24Å; I334-V337 WeakPolarHBondContact O-CG2 3.35Å; I334-V337 PolarHBondContact O-N 2.81Å; I334-V420 HydrophobicContact CD1-CG2 4.11Å; I334-V420 HydrophobicContact CG2-CG1 4.47Å; I334-V420 HydrophobicContact CG2-CG2 4.35Å; I334-I424 HydrophobicContact CD1-CD1 3.44Å; I334-I424 VanDerWaalsContact CD1-CD1 3.44Å; I334-I424 HydrophobicContact CG1-CD1 3.77Å; I334-I424 HydrophobicContact CG2-CG2 3.99Å
335	V	98.4	Very high	96.6	Very high	25 Å²	25	60.4 Å²	60.4	15%	0.152	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.5	-172.6	70.7	0	0	0	0	113.7	D333 D368 H369 K372	D333-V335 WeakPolarHBondContact OD1-CB 3.32Å; D333-V335 VanDerWaalsContact OD1-CG1 3.3Å; D333-V335 WeakPolarHBondContact OD1-CG1 3.38Å; D333-V335 PolarHBondContact OD1-N 3.4Å; V335-D368 WeakPolarHBondContact CG2-O 3.19Å; V335-H369 PolarHBondContact N-O 3.49Å; V335-K372 HydrophobicContact CG2-CG 4.11Å
336	D	98.3	Very high	96.7	Very high	33 Å²	33	56.6 Å²	56.6	18%	0.176	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.9	-177.1	-77.9	-50.6	0	0	0	114.4	R323 K325 I334 K372	R323-D336 HydrophobicContact CB-CB 4.1Å; R323-D336 WeakPolarHBondContact CB-O 3.12Å; R323-D336 VanDerWaalsContact CD-O 3.22Å; R323-D336 WeakPolarHBondContact CD-O 3.45Å; R323-D336 PolarHBondContact NE-O 3.14Å; R323-D336 PolarHBondContact NH1-O 3.28Å; K325-D336 WeakPolarHBondContact CE-OD2 3.24Å; K325-D336 IonicContact NZ-OD2 3.19Å; K325-D336 PolarHBondContact NZ-OD2 2.85Å; I334-D336 PolarHBondContact O-N 2.7Å; D336-K372 WeakPolarHBondContact OD1-CE 3.24Å; D336-K372 IonicContact OD1-NZ 3.84Å; D336-K372 PolarHBondContact OD1-NZ 3.43Å
337	V	97.9	Very high	96.8	Very high	15 Å²	15	56.9 Å²	56.9	9%	0.091	32%	0.319	C	S	.	.			trans	-73.7	-29.8	-172.9	-58.2	0	0	0	0	114.1	V319 N320 R323 I324 I334	V319-V337 WeakPolarHBondContact CA-O 3.35Å; V319-V337 HydrophobicContact CG1-CB 4.16Å; V319-V337 HydrophobicContact CG1-CG2 4.22Å; N320-V337 PolarHBondContact N-O 2.82Å; R323-V337 PolarHBondContact NH2-O 2.91Å; R323-V337 VanDerWaalsContact NH2-O 3.1Å; I324-V337 HydrophobicContact CB-CG1 4.46Å; I324-V337 HydrophobicContact CD1-CG1 4.36Å; I324-V337 HydrophobicContact CG1-CG1 3.39Å; I334-V337 HydrophobicContact CB-CG1 3.96Å; I334-V337 HydrophobicContact CB-CG2 4.29Å; I334-V337 HydrophobicContact CG2-CG1 4.46Å; I334-V337 WeakPolarHBondContact O-CG1 3.38Å; I334-V337 VanDerWaalsContact O-CG2 3.24Å; I334-V337 WeakPolarHBondContact O-CG2 3.35Å; I334-V337 PolarHBondContact O-N 2.81Å
338	L	98.3	Very high	97.1	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.131	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-77.6	136.1	-177.3	-59.9	179.3	0	0	0	110.9	V303 V317 V319 R323 W371	V303-L338 HydrophobicContact CG1-CD1 3.91Å; V303-L338 HydrophobicContact CG1-CD2 3.71Å; V303-L338 HydrophobicContact CG1-CG 4.5Å; V303-L338 HydrophobicContact CG2-CD1 4.02Å; V317-L338 HydrophobicContact CG1-CB 4.47Å; V317-L338 HydrophobicContact CG1-CD2 4.15Å; V319-L338 HydrophobicContact CG2-CD2 3.91Å; R323-L338 PolarHBondContact NH1-O 3.36Å; R323-L338 PolarHBondContact NH2-O 2.8Å; L338-W371 HydrophobicContact CD1-CB 4.13Å; L338-W371 HydrophobicContact CD1-CE3 3.8Å
339	N	98.6	Very high	97.5	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.241	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-65.6	156.8	172.7	-68.2	0.9	0	0	0	110.3	V317 G318 R323 D346	V317-N339 HydrophobicContact CG2-CB 4.24Å; V317-N339 WeakPolarHBondContact CG2-O 3.49Å; G318-N339 WeakPolarHBondContact O-CB 3.48Å; G318-N339 PolarHBondContact O-N 3.35Å; R323-N339 VanDerWaalsContact NH2-CA 3.3Å; R323-N339 VanDerWaalsContact NH2-N 3.14Å; R323-N339 PolarHBondContact NH2-OD1 3.34Å; N339-D346 HydrophobicContact CB-CB 4.46Å; N339-D346 WeakPolarHBondContact CB-OD2 3.34Å; N339-D346 PolarHBondContact ND2-OD2 3.21Å
340	S	98.6	Very high	97.9	Very high	29 Å²	29	46.8 Å²	46.8	20%	0.203	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72.1	129.2	175	178.7	0	0	0	0	109.6	L342 E343 D346	S340-L342 PolarHBondContact O-N 2.96Å; S340-L342 VanDerWaalsContact O-N 3.11Å; S340-L342 WeakPolarHBondContact OG-CB 3.35Å; S340-L342 PolarHBondContact OG-N 3.47Å; S340-E343 WeakPolarHBondContact CB-OE1 3.37Å; S340-D346 WeakPolarHBondContact O-CB 3.32Å
341	P	98.6	Very high	98.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	9.6	174.9	36.6	-39.9	0	0	0	112.5	A301 Q347 F350 F375 Y376	A301-P341 HydrophobicContact CB-CB 3.72Å; A301-P341 HydrophobicContact CB-CG 3.93Å; P341-Q347 WeakPolarHBondContact O-CA 3.41Å; P341-F350 HydrophobicContact CB-CB 4.39Å; P341-F350 HydrophobicContact CB-CD2 4.03Å; P341-F350 HydrophobicContact CG-CD2 4.13Å; P341-F375 HydrophobicContact CG-CE1 4.5Å; P341-Y376 HydrophobicContact CG-CE1 4.34Å
342	L	98.5	Very high	98.3	Very high	63 Å²	63	41.8 Å²	41.8	33%	0.33	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-9.5	-176.4	-55.9	-178.1	0	0	0	113.2	S340 Q347 F350 F375 E379	S340-L342 PolarHBondContact O-N 2.96Å; S340-L342 VanDerWaalsContact O-N 3.11Å; S340-L342 WeakPolarHBondContact OG-CB 3.35Å; S340-L342 PolarHBondContact OG-N 3.47Å; L342-Q347 PolarHBondContact O-NE2 3.29Å; L342-F350 HydrophobicContact CD2-CD2 4Å; L342-F350 HydrophobicContact CD2-CE2 3.72Å; L342-F375 HydrophobicContact CD1-CE2 3.85Å; L342-F375 HydrophobicContact CD1-CZ 3.66Å; L342-F375 HydrophobicContact CG-CZ 4.05Å; L342-E379 HydrophobicContact CD1-CG 3.99Å; L342-E379 HydrophobicContact CD2-CG 4.23Å
343	E	96.6	Very high	98.3	Very high	126 Å²	126	41.3 Å²	41.3	59%	0.589	23%	0.228	S	C	*	.	S	Bend	trans	-138.1	155	-170.7	64.8	-168.7	160.9	0	0	112.8	S340 D346	S340-E343 WeakPolarHBondContact CB-OE1 3.37Å; E343-D346 PolarHBondContact O-N 3.18Å
344	G	97.9	Very high	98.4	Very high	53 Å²	53	42.3 Å²	42.3	55%	0.546	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	55.7	-148.1	175.4	0	0	0	0	0	114	D346	G344-D346 PolarHBondContact O-N 2.6Å
345	P	97.9	Very high	98.4	Very high	106 Å²	106	46.3 Å²	46.3	69%	0.688	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-67.9	-20	-179.5	28.6	-34.7	0	0	0	113.3	Q347 K348	P345-Q347 PolarHBondContact O-N 3.25Å; P345-K348 PolarHBondContact O-N 2.88Å
346	D	98.5	Very high	98.4	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-69.7	-15.4	-177.4	-73.6	-51.2	0	0	0	113.1	V317 G318 N339 S340 E343 G344 K348 S349	V317-D346 HydrophobicContact CG2-CB 4.09Å; G318-D346 WeakPolarHBondContact CA-OD1 3.34Å; G318-D346 PolarHBondContact N-OD1 2.86Å; N339-D346 HydrophobicContact CB-CB 4.46Å; N339-D346 WeakPolarHBondContact CB-OD2 3.34Å; N339-D346 PolarHBondContact ND2-OD2 3.21Å; S340-D346 WeakPolarHBondContact O-CB 3.32Å; E343-D346 PolarHBondContact O-N 3.18Å; G344-D346 PolarHBondContact O-N 2.6Å; D346-K348 PolarHBondContact O-N 2.83Å; D346-K348 VanDerWaalsContact O-N 3.11Å; D346-S349 WeakPolarHBondContact O-CB 3.46Å; D346-S349 PolarHBondContact O-N 3.31Å; D346-S349 PolarHBondContact O-OG 3.48Å
347	Q	98.5	Very high	98.4	Very high	116 Å²	116	49 Å²	49	54%	0.542	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-54.5	-27.7	169.5	-69.7	178.9	-5.1	0	0	113.3	P341 L342 P345 S349 F350	P341-Q347 WeakPolarHBondContact O-CA 3.41Å; L342-Q347 PolarHBondContact O-NE2 3.29Å; P345-Q347 PolarHBondContact O-N 3.25Å; Q347-S349 PolarHBondContact O-N 2.83Å; Q347-F350 WeakPolarHBondContact O-CB 3.45Å; Q347-F350 PolarHBondContact O-N 3.18Å
348	K	98.4	Very high	98.4	Very high	153 Å²	153	48.8 Å²	48.8	67%	0.665	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-67	-21.4	176.2	-66.6	-173.3	177.8	-177.5	0	113.4	L314 P315 P345 D346 F350	L314-K348 WeakPolarHBondContact CD2-O 3.5Å; P315-K348 WeakPolarHBondContact CD-O 3.43Å; P315-K348 HydrophobicContact CG-CB 3.72Å; P345-K348 PolarHBondContact O-N 2.88Å; D346-K348 PolarHBondContact O-N 2.83Å; D346-K348 VanDerWaalsContact O-N 3.11Å; K348-F350 VanDerWaalsContact C-N 3.33Å
349	S	98.8	Very high	98.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-82.4	-10.7	177.6	72.9	0	0	0	0	113.1	A301 N302 P315 V317 D346 Q347 I351	A301-S349 CarbonylContact C-O 3.45Å; N302-S349 PolarHBondContact N-O 3.09Å; P315-S349 WeakPolarHBondContact O-CB 3.27Å; V317-S349 WeakPolarHBondContact CB-OG 3.05Å; D346-S349 WeakPolarHBondContact O-CB 3.46Å; D346-S349 PolarHBondContact O-N 3.31Å; D346-S349 PolarHBondContact O-OG 3.48Å; Q347-S349 PolarHBondContact O-N 2.83Å; S349-I351 PolarHBondContact O-N 2.92Å
350	F	98.9	Very high	98.4	Very high	13 Å²	13	47.3 Å²	47.3	6%	0.057	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-69.1	120.9	-177.1	-163.9	-70.2	0	0	0	110.6	V300 P341 L342 Q347 K348 V353 E379 R383	V300-F350 HydrophobicContact CB-CZ 4.31Å; V300-F350 HydrophobicContact CG1-CD2 4.01Å; V300-F350 HydrophobicContact CG1-CE1 4.27Å; V300-F350 HydrophobicContact CG1-CE2 3.49Å; V300-F350 VanDerWaalsContact CG1-CE2 3.49Å; V300-F350 HydrophobicContact CG1-CZ 3.63Å; V300-F350 HydrophobicContact CG2-CD1 4.24Å; V300-F350 HydrophobicContact CG2-CE1 3.6Å; V300-F350 HydrophobicContact CG2-CE2 4.35Å; V300-F350 HydrophobicContact CG2-CZ 3.67Å; P341-F350 HydrophobicContact CB-CB 4.39Å; P341-F350 HydrophobicContact CB-CD2 4.03Å; P341-F350 HydrophobicContact CG-CD2 4.13Å; L342-F350 HydrophobicContact CD2-CD2 4Å; L342-F350 HydrophobicContact CD2-CE2 3.72Å; Q347-F350 WeakPolarHBondContact O-CB 3.45Å; Q347-F350 PolarHBondContact O-N 3.18Å; K348-F350 VanDerWaalsContact C-N 3.33Å; F350-V353 HydrophobicContact CE1-CG2 4.46Å; F350-E379 HydrophobicContact CE2-CB 4.27Å; F350-E379 HydrophobicContact CZ-CB 4.5Å; F350-R383 VanDerWaalsContact CD1-NH1 3.3Å; F350-R383 HydrophobicContact CE1-CB 4.16Å; F350-R383 HydrophobicContact CE1-CG 4.01Å; F350-R383 VanDerWaalsContact CE1-CZ 3.4Å; F350-R383 HydrophobicContact CZ-CB 4.1Å; F350-R383 HydrophobicContact CZ-CG 4.44Å
351	I	98.9	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.			trans	-67.4	125.7	178.5	-62.8	163.7	0	0	0	109.2	E278 L281 S282 V300 L314 S349 V353	E278-I351 HydrophobicContact CG-CD1 3.58Å; L281-I351 HydrophobicContact CB-CD1 4.34Å; L281-I351 HydrophobicContact CB-CG2 4.2Å; S282-I351 WeakPolarHBondContact OG-CD1 3.39Å; V300-I351 HydrophobicContact CG2-CB 4.39Å; V300-I351 WeakPolarHBondContact O-CB 3Å; V300-I351 WeakPolarHBondContact O-CG1 3.45Å; V300-I351 PolarHBondContact O-N 3.21Å; L314-I351 HydrophobicContact CD1-CG1 3.99Å; S349-I351 PolarHBondContact O-N 2.92Å; I351-V353 HydrophobicContact CB-CG1 4.49Å; I351-V353 HydrophobicContact CG2-CG1 4.04Å; I351-V353 PolarHBondContact O-N 2.79Å
352	P	98.8	Very high	98.5	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.104	24%	0.24	C	C	.	.			trans	-78.7	64.2	-171.9	33.5	-37.9	0	0	0	112.9	F286 E354 R355	F286-P352 HydrophobicContact CE1-CG 4.21Å; F286-P352 HydrophobicContact CE2-CG 4.03Å; F286-P352 HydrophobicContact CZ-CG 3.59Å; P352-E354 VanDerWaalsContact C-OE2 3.22Å; P352-E354 WeakPolarHBondContact CA-OE1 3.21Å; P352-E354 WeakPolarHBondContact CA-OE2 3.4Å; P352-E354 VanDerWaalsContact CB-OE1 3.25Å; P352-E354 WeakPolarHBondContact CB-OE1 3.38Å; P352-E354 PolarHBondContact O-N 2.79Å; P352-R355 HydrophobicContact CB-CG 4.41Å; P352-R355 WeakPolarHBondContact O-CB 3.44Å; P352-R355 PolarHBondContact O-N 2.87Å
353	V	98.8	Very high	98.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.6	-19.6	-175.1	-65.1	0	0	0	0	114	L281 S285 V300 F350 I351 R355 A356 A380 R383 L384	L281-V353 HydrophobicContact CB-CG1 4.14Å; L281-V353 HydrophobicContact CD2-CG1 4.22Å; S285-V353 WeakPolarHBondContact OG-CA 3.43Å; V300-V353 HydrophobicContact CG2-CG1 3.93Å; V300-V353 HydrophobicContact CG2-CG2 4.4Å; F350-V353 HydrophobicContact CE1-CG2 4.46Å; I351-V353 HydrophobicContact CB-CG1 4.49Å; I351-V353 HydrophobicContact CG2-CG1 4.04Å; I351-V353 PolarHBondContact O-N 2.79Å; V353-R355 PolarHBondContact O-N 3.23Å; V353-R355 VanDerWaalsContact O-N 3.15Å; V353-A356 WeakPolarHBondContact O-CB 3.35Å; V353-A356 PolarHBondContact O-N 2.81Å; V353-A380 HydrophobicContact CG2-CB 4.38Å; V353-R383 HydrophobicContact CG2-CB 3.9Å; V353-R383 HydrophobicContact CG2-CG 3.72Å; V353-L384 HydrophobicContact CB-CD2 4.41Å; V353-L384 HydrophobicContact CB-CG 4.47Å; V353-L384 HydrophobicContact CG2-CD2 4.48Å; V353-L384 HydrophobicContact CG2-CG 4.12Å; V353-L384 VanDerWaalsContact O-CD2 3.24Å; V353-L384 WeakPolarHBondContact O-CD2 3.35Å
354	E	98.8	Very high	98.6	Very high	37 Å²	37	37.3 Å²	37.3	17%	0.173	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.3	-21	171.9	65.9	-80.2	179.5	0	0	114	P352 A356 R383 H387 R389	P352-E354 VanDerWaalsContact C-OE2 3.22Å; P352-E354 WeakPolarHBondContact CA-OE1 3.21Å; P352-E354 WeakPolarHBondContact CA-OE2 3.4Å; P352-E354 VanDerWaalsContact CB-OE1 3.25Å; P352-E354 WeakPolarHBondContact CB-OE1 3.38Å; P352-E354 PolarHBondContact O-N 2.79Å; E354-A356 VanDerWaalsContact C-N 3.33Å; E354-R383 HydrophobicContact CB-CG 4.26Å; E354-R383 IonicContact OE1-NH1 3.71Å; E354-R383 WeakPolarHBondContact OE2-CD 3.16Å; E354-R383 WeakPolarHBondContact OE2-CG 3.45Å; E354-R383 IonicContact OE2-CZ 3.05Å; E354-R383 IonicContact OE2-NH1 3.62Å; E354-R383 PolarHBondContact OE2-NH1 2.9Å; E354-H387 HydrophobicContact CB-CB 3.75Å; E354-H387 VanDerWaalsContact CB-CG 3.43Å; E354-H387 WeakPolarHBondContact CB-ND1 3.36Å; E354-R389 PolarHBondContact O-NE 2.85Å; E354-R389 PolarHBondContact O-NH2 3.11Å
355	R	98.8	Very high	98.7	Very high	90 Å²	90	34.9 Å²	34.9	34%	0.34	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-76.9	-20.6	176.8	-67.3	162.3	62.4	155.9	4.1	113	S285 F286 E312 P352 V353 R389	S285-R355 VanDerWaalsContact O-CB 3.23Å; S285-R355 WeakPolarHBondContact O-CB 3.37Å; S285-R355 PolarHBondContact O-NE 3.44Å; F286-R355 VanDerWaalsContact CD1-NH2 3.31Å; F286-R355 VanDerWaalsContact CE1-NH1 3.28Å; E312-R355 IonicContact OE1-CZ 3.84Å; E312-R355 IonicContact OE1-NH1 2.86Å; E312-R355 PolarHBondContact OE1-NH1 3.49Å; E312-R355 IonicContact OE1-NH2 3.83Å; E312-R355 PolarHBondContact OE1-NH2 2.86Å; E312-R355 IonicContact OE2-CZ 3.73Å; E312-R355 IonicContact OE2-NH1 2.74Å; E312-R355 PolarHBondContact OE2-NH1 2.98Å; E312-R355 IonicContact OE2-NH2 3.47Å; P352-R355 HydrophobicContact CB-CG 4.41Å; P352-R355 WeakPolarHBondContact O-CB 3.44Å; P352-R355 PolarHBondContact O-N 2.87Å; V353-R355 PolarHBondContact O-N 3.23Å; V353-R355 VanDerWaalsContact O-N 3.15Å; R355-R389 PolarHBondContact O-NH2 3.37Å
356	A	98.6	Very high	98.7	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	16%	0.16	C	C	.	.			trans	-70.1	139.7	-173.9	0	0	0	0	0	112.9	A284 V353 E354 F360	A284-A356 HydrophobicContact CB-CB 4.13Å; A284-A356 WeakPolarHBondContact O-CA 3.44Å; A284-A356 WeakPolarHBondContact O-CB 3.25Å; V353-A356 WeakPolarHBondContact O-CB 3.35Å; V353-A356 PolarHBondContact O-N 2.81Å; E354-A356 VanDerWaalsContact C-N 3.33Å; A356-F360 HydrophobicContact CB-CE2 3.76Å; A356-F360 HydrophobicContact CB-CZ 3.6Å
357	E	97.6	Very high	98.7	Very high	113 Å²	113	35.3 Å²	35.3	53%	0.528	17%	0.166	S	C	.	.			trans	-96.1	-17	170.5	-72.2	168.7	173.5	0	0	112.3	K288 R390	K288-E357 IonicContact NZ-OE1 3.49Å; K288-E357 PolarHBondContact NZ-OE1 2.95Å; K288-E357 IonicContact NZ-OE2 3.18Å; K288-E357 PolarHBondContact NZ-OE2 3.35Å; E357-R390 PolarHBondContact O-NH2 3.02Å
358	S	98.2	Very high	98.7	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.063	14%	0.143	C	C	.	.	S	Bend	trans	-58.4	151.6	-179.6	-177.6	0	0	0	0	112.6	A292 A293	A292-S358 VanDerWaalsContact CA-OG 3.24Å; A292-S358 WeakPolarHBondContact CA-OG 3.4Å; A292-S358 PolarHBondContact N-OG 3.31Å; A293-S358 PolarHBondContact N-OG 3.3Å
359	T	98.7	Very high	98.7	Very high	32 Å²	32	25 Å²	25	20%	0.196	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.9	164.3	-55.1	0	0	0	0	109.7	T291 A292 A293 R390 F447	T291-T359 PolarHBondContact O-N 2.98Å; A292-T359 CarbonylContact C-O 3.59Å; A292-T359 WeakPolarHBondContact CA-O 3.18Å; A293-T359 PolarHBondContact N-O 3.49Å; T359-R390 PolarHBondContact OG1-NH2 3.28Å; T359-F447 HydrophobicContact CG2-CE2 3.98Å; T359-F447 HydrophobicContact CG2-CZ 4.11Å
360	F	98.9	Very high	98.7	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.2	-177.6	-61.1	-79.4	0	0	0	112.5	L281 A284 A293 A356 F362 L384 P392 Q393	L281-F360 HydrophobicContact CD2-CD1 3.96Å; L281-F360 HydrophobicContact CD2-CE1 3.74Å; L281-F360 HydrophobicContact CD2-CZ 4.37Å; A284-F360 HydrophobicContact CB-CE1 3.8Å; A284-F360 HydrophobicContact CB-CZ 3.67Å; A293-F360 HydrophobicContact CB-CD1 3.75Å; A293-F360 HydrophobicContact CB-CE1 3.85Å; A293-F360 WeakPolarHBondContact O-CA 3.37Å; A356-F360 HydrophobicContact CB-CE2 3.76Å; A356-F360 HydrophobicContact CB-CZ 3.6Å; F360-F362 HydrophobicContact CB-CD2 4.26Å; F360-F362 HydrophobicContact CB-CE2 3.7Å; F360-F362 HydrophobicContact CB-CZ 4.39Å; F360-F362 HydrophobicContact CG-CE2 4.34Å; F360-L384 HydrophobicContact CD2-CD1 3.98Å; F360-L384 HydrophobicContact CE2-CD1 4.32Å; F360-L384 HydrophobicContact CE2-CD2 4.3Å; F360-P392 HydrophobicContact CB-CB 3.9Å; F360-Q393 PolarHBondContact O-N 3.4Å
361	L	98.9	Very high	98.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.4	161.9	170	62.8	0	0	0	108.3	A293 V294 V295 L363 Q393 I395 Q443 F447	A293-L361 PolarHBondContact O-N 2.99Å; V294-L361 WeakPolarHBondContact CA-O 3.41Å; V294-L361 HydrophobicContact CG2-CB 4.27Å; V294-L361 HydrophobicContact CG2-CD2 4.22Å; V295-L361 PolarHBondContact N-O 3.16Å; L361-L363 HydrophobicContact CD1-CD2 3.94Å; L361-L363 HydrophobicContact CD2-CD2 4.04Å; L361-L363 HydrophobicContact CD2-CG 4.34Å; L361-L363 HydrophobicContact CG-CD2 3.94Å; L361-L363 HydrophobicContact CG-CG 4.16Å; L361-Q393 HydrophobicContact CD1-CB 3.86Å; L361-Q393 HydrophobicContact CD1-CG 3.72Å; L361-I395 HydrophobicContact CD1-CD1 4.07Å; L361-I395 HydrophobicContact CD1-CG1 4.14Å; L361-Q443 HydrophobicContact CD2-CB 4.35Å; L361-F447 HydrophobicContact CB-CD1 4.19Å; L361-F447 HydrophobicContact CB-CD2 3.68Å; L361-F447 HydrophobicContact CB-CE1 4.13Å; L361-F447 HydrophobicContact CB-CE2 3.64Å; L361-F447 HydrophobicContact CB-CG 3.96Å; L361-F447 HydrophobicContact CB-CZ 3.87Å; L361-F447 HydrophobicContact CD2-CB 3.73Å; L361-F447 HydrophobicContact CD2-CD1 4.44Å; L361-F447 HydrophobicContact CD2-CD2 4.09Å; L361-F447 HydrophobicContact CD2-CG 3.85Å; L361-F447 HydrophobicContact CG-CD2 4.47Å
362	F	98.9	Very high	98.7	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.022	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.3	172.1	-66.2	-94.3	0	0	0	109.5	L281 V295 F360 V364 A377 A380 P392 Q393 I394 I395	L281-F362 HydrophobicContact CD1-CE1 4.28Å; L281-F362 HydrophobicContact CD2-CE1 4.05Å; L281-F362 HydrophobicContact CD2-CZ 3.86Å; V295-F362 HydrophobicContact CB-CD1 3.84Å; V295-F362 HydrophobicContact CB-CE1 4Å; V295-F362 HydrophobicContact CG1-CD1 3.94Å; V295-F362 HydrophobicContact CG1-CE1 3.97Å; V295-F362 HydrophobicContact CG2-CE1 4.34Å; V295-F362 WeakPolarHBondContact O-CA 3.41Å; F360-F362 HydrophobicContact CB-CD2 4.26Å; F360-F362 HydrophobicContact CB-CE2 3.7Å; F360-F362 HydrophobicContact CB-CZ 4.39Å; F360-F362 HydrophobicContact CG-CE2 4.34Å; F362-V364 HydrophobicContact CB-CG2 4.3Å; F362-A377 HydrophobicContact CB-CB 4.04Å; F362-A377 HydrophobicContact CD1-CB 3.78Å; F362-A377 HydrophobicContact CE1-CB 4.44Å; F362-A377 HydrophobicContact CG-CB 3.95Å; F362-A380 HydrophobicContact CE1-CB 4.29Å; F362-A380 HydrophobicContact CZ-CB 3.82Å; F362-P392 HydrophobicContact CD2-CB 3.94Å; F362-P392 HydrophobicContact CD2-CG 4.32Å; F362-P392 HydrophobicContact CE2-CB 3.72Å; F362-P392 HydrophobicContact CE2-CG 3.97Å; F362-Q393 PolarHBondContact N-O 2.82Å; F362-I394 HydrophobicContact CB-CB 4.35Å; F362-I394 HydrophobicContact CB-CG1 4.11Å; F362-I394 HydrophobicContact CB-CG2 4.14Å; F362-I394 HydrophobicContact CD2-CG1 4.14Å; F362-I394 HydrophobicContact CG-CG1 4.42Å; F362-I394 WeakPolarHBondContact O-CA 3.34Å; F362-I395 PolarHBondContact O-N 2.85Å
363	L	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115	172.8	-58.1	178.8	0	0	0	107.4	V294 V295 I296 N297 L361 I395 Y397 A440 Q443 L444	V294-L363 HydrophobicContact CG1-CD1 3.83Å; V294-L363 HydrophobicContact CG1-CG 4.24Å; V295-L363 PolarHBondContact O-N 2.89Å; I296-L363 CarbonylContact C-O 3.59Å; I296-L363 VanDerWaalsContact CA-O 3.31Å; I296-L363 WeakPolarHBondContact CA-O 3.44Å; I296-L363 HydrophobicContact CD1-CD1 4.47Å; I296-L363 HydrophobicContact CG1-CB 4.26Å; I296-L363 HydrophobicContact CG1-CD1 4.27Å; N297-L363 PolarHBondContact N-O 3.06Å; L361-L363 HydrophobicContact CD1-CD2 3.94Å; L361-L363 HydrophobicContact CD2-CD2 4.04Å; L361-L363 HydrophobicContact CD2-CG 4.34Å; L361-L363 HydrophobicContact CG-CD2 3.94Å; L361-L363 HydrophobicContact CG-CG 4.16Å; L363-I395 HydrophobicContact CD2-CB 3.97Å; L363-I395 HydrophobicContact CD2-CD1 3.87Å; L363-I395 HydrophobicContact CD2-CG1 4.19Å; L363-Y397 HydrophobicContact CB-CE2 4.37Å; L363-Y397 HydrophobicContact CD2-CE2 4.21Å; L363-A440 HydrophobicContact CD1-CB 3.94Å; L363-Q443 HydrophobicContact CD2-CB 4.28Å; L363-L444 HydrophobicContact CD1-CB 4.43Å
364	V	98.9	Very high	98.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	-166.3	176	0	0	0	0	110	N297 F362 E374 A377 I394 I395 C396 Y397	N297-V364 WeakPolarHBondContact OD1-CA 3.4Å; F362-V364 HydrophobicContact CB-CG2 4.3Å; V364-E374 HydrophobicContact CG1-CB 3.84Å; V364-A377 HydrophobicContact CG2-CB 3.87Å; V364-I394 HydrophobicContact CG2-CG2 4.3Å; V364-I395 PolarHBondContact N-O 2.91Å; V364-C396 CarbonylContact O-C 3.58Å; V364-C396 WeakPolarHBondContact O-CA 3.46Å; V364-Y397 PolarHBondContact O-N 2.57Å
365	G	98.9	Very high	98.7	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.9	163.1	0	0	0	0	0	109.9	N297 D367 D368 T400	N297-G365 PolarHBondContact OD1-N 3.45Å; G365-D367 PolarHBondContact O-N 3.02Å; G365-D368 WeakPolarHBondContact O-CB 3.09Å; G365-D368 PolarHBondContact O-N 2.94Å; G365-T400 CarbonylContact C-O 3.59Å; G365-T400 WeakPolarHBondContact CA-O 3.46Å
366	Q	98.8	Very high	98.7	Very high	91 Å²	91	30 Å²	30	43%	0.425	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.2	178.4	-74.6	-173.6	-30.4	0	0	113.1	C396 Y397 T400	Q366-C396 HydrophobicContact CG-CB 3.74Å; Q366-Y397 WeakPolarHBondContact CB-O 3.41Å; Q366-Y397 PolarHBondContact N-O 2.9Å; Q366-T400 PolarHBondContact N-O 2.75Å
367	D	98.8	Very high	98.7	Very high	50 Å²	50	29.9 Å²	29.9	27%	0.267	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	30.3	177.3	-163.2	47.2	0	0	0	111	G365 H369 T400 G401 G427 G428	G365-D367 PolarHBondContact O-N 3.02Å; D367-H369 PolarHBondContact O-CD2 3.11Å; D367-H369 PolarHBondContact O-N 3.01Å; D367-H369 IonicContact OD1-CD2 3.75Å; D367-H369 IonicContact OD1-NE2 2.7Å; D367-T400 CarbonylContact C-O 3.53Å; D367-T400 WeakPolarHBondContact CA-O 3.1Å; D367-T400 PolarHBondContact N-O 2.91Å; D367-G401 WeakPolarHBondContact O-CA 3.43Å; D367-G427 VanDerWaalsContact O-CA 3.31Å; D367-G427 WeakPolarHBondContact O-CA 3.33Å; D367-G427 WeakPolarHBondContact OD2-CA 3.42Å; D367-G428 PolarHBondContact OD2-N 2.66Å
368	D	98.9	Very high	98.8	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.059	14%	0.135	C	C	.	.			trans	-69.8	112.4	177.1	-173.1	-20.3	0	0	0	111	N297 V335 G365 N370 W371 S373 H402	N297-D368 WeakPolarHBondContact CB-OD2 3.38Å; V335-D368 WeakPolarHBondContact CG2-O 3.19Å; G365-D368 WeakPolarHBondContact O-CB 3.09Å; G365-D368 PolarHBondContact O-N 2.94Å; D368-N370 WeakPolarHBondContact OD1-CB 3.13Å; D368-N370 PolarHBondContact OD1-N 2.87Å; D368-W371 VanDerWaalsContact CG-O 3.32Å; D368-W371 PolarHBondContact OD1-N 2.8Å; D368-S373 WeakPolarHBondContact OD2-CB 3.33Å; D368-S373 PolarHBondContact OD2-OG 3.45Å; D368-H402 VanDerWaalsContact CG-ND1 3.28Å; D368-H402 WeakPolarHBondContact OD1-CB 3.46Å; D368-H402 IonicContact OD1-CG 3.49Å; D368-H402 IonicContact OD1-ND1 3.36Å; D368-H402 PolarHBondContact OD1-ND1 3.29Å; D368-H402 IonicContact OD2-CE1 2.84Å; D368-H402 IonicContact OD2-CG 3.29Å; D368-H402 IonicContact OD2-ND1 2.68Å; D368-H402 PolarHBondContact OD2-ND1 3.29Å
369	H	98.7	Very high	98.8	Very high	40 Å²	40	28.4 Å²	28.4	19%	0.185	14%	0.138	C	C	.	.	S	Bend	trans	-98.5	0.4	179	-88.2	-86	0	0	0	114.9	D333 V335 D367 I425 W426	D333-H369 IonicContact OD1-CE1 3.85Å; D333-H369 IonicContact OD1-CG 4Å; D333-H369 IonicContact OD1-ND1 2.74Å; D333-H369 PolarHBondContact OD1-ND1 3.31Å; D333-H369 IonicContact OD2-CE1 3.75Å; D333-H369 PolarHBondContact OD2-CE1 2.69Å; D333-H369 IonicContact OD2-ND1 2.61Å; D333-H369 PolarHBondContact OD2-ND1 2.89Å; V335-H369 PolarHBondContact N-O 3.49Å; D367-H369 PolarHBondContact O-CD2 3.11Å; D367-H369 PolarHBondContact O-N 3.01Å; D367-H369 IonicContact OD1-CD2 3.75Å; D367-H369 IonicContact OD1-NE2 2.7Å; H369-I425 HydrophobicContact CB-CD1 4.05Å; H369-I425 HydrophobicContact CB-CG1 3.95Å; H369-I425 WeakPolarHBondContact CB-O 3.29Å; H369-I425 WeakPolarHBondContact ND1-CD1 3.3Å; H369-W426 PolarHBondContact N-O 2.78Å
370	N	98.6	Very high	98.9	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.102	13%	0.128	C	C	.	.	S	Bend	trans	-75.7	-45.6	169.6	175.7	78.8	0	0	0	110.5	D368 H402 W426	D368-N370 WeakPolarHBondContact OD1-CB 3.13Å; D368-N370 PolarHBondContact OD1-N 2.87Å; N370-H402 HydrophobicContact CB-CB 4Å; N370-H402 VanDerWaalsContact CB-CG 3.45Å; N370-H402 WeakPolarHBondContact CB-ND1 3.26Å; N370-H402 PolarHBondContact ND2-CE1 2.89Å; N370-H402 VanDerWaalsContact ND2-CE1 3.27Å; N370-W426 HydrophobicContact CB-CE3 4.07Å; N370-W426 HydrophobicContact CB-CZ3 4.1Å
371	W	98.6	Very high	98.9	Very high	8 Å²	8	27 Å²	27	3%	0.03	13%	0.13	C	C	.	.	S	Bend	trans	-164.9	174.9	179.5	62.1	5.4	0	0	0	111.4	E278 N297 V303 L338 D368 S373 Y376 H402	E278-W371 HydrophobicContact CB-CH2 4.42Å; N297-W371 VanDerWaalsContact O-CE2 3.31Å; N297-W371 WeakPolarHBondContact O-CZ2 3.4Å; N297-W371 PolarHBondContact O-NE1 2.94Å; V303-W371 HydrophobicContact CB-CZ3 4.13Å; V303-W371 HydrophobicContact CG2-CE3 4.15Å; V303-W371 HydrophobicContact CG2-CZ3 3.69Å; L338-W371 HydrophobicContact CD1-CB 4.13Å; L338-W371 HydrophobicContact CD1-CE3 3.8Å; D368-W371 VanDerWaalsContact CG-O 3.32Å; D368-W371 PolarHBondContact OD1-N 2.8Å; W371-S373 VanDerWaalsContact C-N 3.33Å; W371-S373 PolarHBondContact NE1-OG 2.86Å; W371-S373 PolarHBondContact O-N 3.41Å; W371-Y376 HydrophobicContact CB-CE2 3.95Å; W371-Y376 HydrophobicContact CD2-CD2 4.4Å; W371-Y376 AromaticContact CD2-CE2 3.89Å; W371-Y376 HydrophobicContact CD2-CE2 3.89Å; W371-Y376 HydrophobicContact CE3-CE2 4.1Å; W371-Y376 HydrophobicContact CG-CD2 4.42Å; W371-Y376 AromaticContact CG-CE2 3.83Å; W371-Y376 HydrophobicContact CG-CE2 3.83Å; W371-H402 AromaticContact CD1-CE1 3.94Å; W371-H402 AromaticContact NE1-CE1 3.48Å; W371-H402 PolarHBondContact NE1-CE1 3.09Å; W371-H402 AromaticContact NE1-ND1 3.9Å
372	K	98.8	Very high	98.9	Very high	87 Å²	87	32.6 Å²	32.6	38%	0.378	15%	0.154	S	C	.	.			trans	-82.9	68.7	-173.6	-55.4	-179	-179.7	-178.4	0	112.9	V335 D336 E374 F375 Y376	V335-K372 HydrophobicContact CG2-CG 4.11Å; D336-K372 WeakPolarHBondContact OD1-CE 3.24Å; D336-K372 IonicContact OD1-NZ 3.84Å; D336-K372 PolarHBondContact OD1-NZ 3.43Å; K372-E374 PolarHBondContact O-N 3.33Å; K372-F375 HydrophobicContact CB-CB 3.72Å; K372-F375 HydrophobicContact CB-CD1 4.3Å; K372-F375 HydrophobicContact CB-CG 4.38Å; K372-F375 WeakPolarHBondContact O-CB 3.22Å; K372-F375 PolarHBondContact O-N 3.15Å; K372-F375 VanDerWaalsContact O-N 3.11Å; K372-Y376 WeakPolarHBondContact O-CD2 3.39Å; K372-Y376 PolarHBondContact O-N 3.01Å
373	S	98.9	Very high	98.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-54.9	-43.1	-176.4	-74.2	0	0	0	0	114.1	N297 D368 W371 F375 Y376 A377	N297-S373 VanDerWaalsContact CA-OG 3.26Å; N297-S373 WeakPolarHBondContact CA-OG 3.32Å; N297-S373 WeakPolarHBondContact CB-OG 3.31Å; N297-S373 WeakPolarHBondContact OD1-CB 3.4Å; N297-S373 PolarHBondContact OD1-OG 2.86Å; D368-S373 WeakPolarHBondContact OD2-CB 3.33Å; D368-S373 PolarHBondContact OD2-OG 3.45Å; W371-S373 VanDerWaalsContact C-N 3.33Å; W371-S373 PolarHBondContact NE1-OG 2.86Å; W371-S373 PolarHBondContact O-N 3.41Å; S373-F375 PolarHBondContact O-N 3.19Å; S373-Y376 PolarHBondContact O-N 3.27Å; S373-A377 PolarHBondContact O-N 2.96Å
374	E	98.9	Very high	98.8	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-64.3	-40.7	176.9	-179	168.6	-145.6	0	0	112.4	V364 K372 A377 N378 C396	V364-E374 HydrophobicContact CG1-CB 3.84Å; K372-E374 PolarHBondContact O-N 3.33Å; E374-A377 PolarHBondContact O-N 3.23Å; E374-N378 WeakPolarHBondContact O-CB 3.43Å; E374-N378 VanDerWaalsContact O-CG 3.27Å; E374-N378 PolarHBondContact O-N 3.06Å; E374-N378 PolarHBondContact O-ND2 3.45Å; E374-N378 VanDerWaalsContact O-ND2 3.09Å; E374-C396 PolarHBondContact OE1-SG 2.97Å; E374-C396 VanDerWaalsContact OE1-SG 3.41Å
375	F	98.9	Very high	98.8	Very high	62 Å²	62	40 Å²	40	27%	0.272	19%	0.186	S	C	.	.	H	α-helix	trans	-59.3	-49.1	173.7	164.9	-99	0	0	0	110.7	P341 L342 K372 S373 A377 N378 E379	P341-F375 HydrophobicContact CG-CE1 4.5Å; L342-F375 HydrophobicContact CD1-CE2 3.85Å; L342-F375 HydrophobicContact CD1-CZ 3.66Å; L342-F375 HydrophobicContact CG-CZ 4.05Å; K372-F375 HydrophobicContact CB-CB 3.72Å; K372-F375 HydrophobicContact CB-CD1 4.3Å; K372-F375 HydrophobicContact CB-CG 4.38Å; K372-F375 WeakPolarHBondContact O-CB 3.22Å; K372-F375 PolarHBondContact O-N 3.15Å; K372-F375 VanDerWaalsContact O-N 3.11Å; S373-F375 PolarHBondContact O-N 3.19Å; F375-A377 PolarHBondContact O-N 2.97Å; F375-N378 PolarHBondContact O-N 2.95Å; F375-E379 HydrophobicContact CD2-CG 3.99Å; F375-E379 HydrophobicContact CE1-CG 4.2Å; F375-E379 HydrophobicContact CE2-CG 3.6Å; F375-E379 HydrophobicContact CG-CG 4.45Å; F375-E379 HydrophobicContact CZ-CG 3.73Å; F375-E379 WeakPolarHBondContact O-CG 3.42Å; F375-E379 PolarHBondContact O-N 3.11Å
376	Y	98.9	Very high	98.8	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-41.3	-179.7	-63.5	-47.6	0	0	0	113.3	V300 A301 P341 W371 K372 S373 N378 E379 A380	V300-Y376 HydrophobicContact CG1-CD1 4.2Å; A301-Y376 HydrophobicContact CB-CE1 4.39Å; P341-Y376 HydrophobicContact CG-CE1 4.34Å; W371-Y376 HydrophobicContact CB-CE2 3.95Å; W371-Y376 HydrophobicContact CD2-CD2 4.4Å; W371-Y376 AromaticContact CD2-CE2 3.89Å; W371-Y376 HydrophobicContact CD2-CE2 3.89Å; W371-Y376 HydrophobicContact CE3-CE2 4.1Å; W371-Y376 HydrophobicContact CG-CD2 4.42Å; W371-Y376 AromaticContact CG-CE2 3.83Å; W371-Y376 HydrophobicContact CG-CE2 3.83Å; K372-Y376 WeakPolarHBondContact O-CD2 3.39Å; K372-Y376 PolarHBondContact O-N 3.01Å; S373-Y376 PolarHBondContact O-N 3.27Å; Y376-N378 VanDerWaalsContact C-N 3.34Å; Y376-N378 PolarHBondContact O-N 2.86Å; Y376-E379 PolarHBondContact O-N 3.25Å; Y376-A380 WeakPolarHBondContact O-CB 3.49Å; Y376-A380 PolarHBondContact O-N 3.1Å
377	A	98.9	Very high	98.8	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-42.2	175.3	0	0	0	0	0	111.6	F362 V364 S373 E374 F375 A380 C381 I394	F362-A377 HydrophobicContact CB-CB 4.04Å; F362-A377 HydrophobicContact CD1-CB 3.78Å; F362-A377 HydrophobicContact CE1-CB 4.44Å; F362-A377 HydrophobicContact CG-CB 3.95Å; V364-A377 HydrophobicContact CG2-CB 3.87Å; S373-A377 PolarHBondContact O-N 2.96Å; E374-A377 PolarHBondContact O-N 3.23Å; F375-A377 PolarHBondContact O-N 2.97Å; A377-A380 PolarHBondContact O-N 2.83Å; A377-C381 VanDerWaalsContact O-CB 3.29Å; A377-C381 WeakPolarHBondContact O-CB 3.31Å; A377-C381 PolarHBondContact O-N 3.08Å; A377-I394 HydrophobicContact CB-CD1 4.15Å; A377-I394 HydrophobicContact CB-CG2 4.2Å
378	N	98.9	Very high	98.8	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-42.9	176.6	-76.6	-35	0	0	0	112.4	E374 F375 Y376 C381 K382	E374-N378 WeakPolarHBondContact O-CB 3.43Å; E374-N378 VanDerWaalsContact O-CG 3.27Å; E374-N378 PolarHBondContact O-N 3.06Å; E374-N378 PolarHBondContact O-ND2 3.45Å; E374-N378 VanDerWaalsContact O-ND2 3.09Å; F375-N378 PolarHBondContact O-N 2.95Å; Y376-N378 VanDerWaalsContact C-N 3.34Å; Y376-N378 PolarHBondContact O-N 2.86Å; N378-C381 WeakPolarHBondContact O-CB 3.35Å; N378-C381 PolarHBondContact O-N 2.76Å; N378-K382 WeakPolarHBondContact O-CG 3.25Å; N378-K382 PolarHBondContact O-N 3.28Å
379	E	98.9	Very high	98.8	Very high	26 Å²	26	49.5 Å²	49.5	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-37.4	177.7	-65.9	-47.5	130.1	0	0	112.6	V300 L342 F350 F375 Y376 K382 R383	V300-E379 HydrophobicContact CG1-CB 4.33Å; L342-E379 HydrophobicContact CD1-CG 3.99Å; L342-E379 HydrophobicContact CD2-CG 4.23Å; F350-E379 HydrophobicContact CE2-CB 4.27Å; F350-E379 HydrophobicContact CZ-CB 4.5Å; F375-E379 HydrophobicContact CD2-CG 3.99Å; F375-E379 HydrophobicContact CE1-CG 4.2Å; F375-E379 HydrophobicContact CE2-CG 3.6Å; F375-E379 HydrophobicContact CG-CG 4.45Å; F375-E379 HydrophobicContact CZ-CG 3.73Å; F375-E379 WeakPolarHBondContact O-CG 3.42Å; F375-E379 PolarHBondContact O-N 3.11Å; Y376-E379 PolarHBondContact O-N 3.25Å; E379-K382 PolarHBondContact O-N 3.48Å; E379-K382 IonicContact OE1-NZ 3.69Å; E379-K382 PolarHBondContact OE1-NZ 2.94Å; E379-K382 IonicContact OE2-NZ 2.73Å; E379-R383 WeakPolarHBondContact O-CB 3.15Å; E379-R383 PolarHBondContact O-N 2.87Å
380	A	98.9	Very high	98.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-44.4	171.2	0	0	0	0	0	111.4	V300 V353 F362 Y376 A377 R383 L384	V300-A380 HydrophobicContact CB-CB 4.34Å; V300-A380 HydrophobicContact CG2-CB 3.95Å; V353-A380 HydrophobicContact CG2-CB 4.38Å; F362-A380 HydrophobicContact CE1-CB 4.29Å; F362-A380 HydrophobicContact CZ-CB 3.82Å; Y376-A380 WeakPolarHBondContact O-CB 3.49Å; Y376-A380 PolarHBondContact O-N 3.1Å; A377-A380 PolarHBondContact O-N 2.83Å; A380-R383 PolarHBondContact O-N 3.15Å; A380-L384 WeakPolarHBondContact O-CB 3.35Å; A380-L384 VanDerWaalsContact O-CG 3.3Å; A380-L384 WeakPolarHBondContact O-CG 3.17Å; A380-L384 PolarHBondContact O-N 3.23Å
381	C	98.9	Very high	98.7	Very high	10 Å²	10	61.8 Å²	61.8	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-42.9	176.8	179.6	0	0	0	0	112.9	A377 N378 Q385 P392 I394	A377-C381 VanDerWaalsContact O-CB 3.29Å; A377-C381 WeakPolarHBondContact O-CB 3.31Å; A377-C381 PolarHBondContact O-N 3.08Å; N378-C381 WeakPolarHBondContact O-CB 3.35Å; N378-C381 PolarHBondContact O-N 2.76Å; C381-Q385 WeakPolarHBondContact O-CG 3.45Å; C381-Q385 PolarHBondContact O-N 3.26Å; C381-Q385 VanDerWaalsContact O-N 3.09Å; C381-Q385 PolarHBondContact O-NE2 3.08Å; C381-Q385 PolarHBondContact SG-NE2 3.18Å; C381-P392 HydrophobicContact CB-CG 3.7Å; C381-I394 HydrophobicContact CB-CD1 3.9Å
382	K	98.9	Very high	98.7	Very high	118 Å²	118	61.9 Å²	61.9	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-47.2	173.8	-72.4	170.8	-172.3	171.7	0	111.1	N378 E379 L384 Q385 A386	N378-K382 WeakPolarHBondContact O-CG 3.25Å; N378-K382 PolarHBondContact O-N 3.28Å; E379-K382 PolarHBondContact O-N 3.48Å; E379-K382 IonicContact OE1-NZ 3.69Å; E379-K382 PolarHBondContact OE1-NZ 2.94Å; E379-K382 IonicContact OE2-NZ 2.73Å; K382-L384 PolarHBondContact O-N 2.99Å; K382-Q385 PolarHBondContact O-N 3.14Å; K382-A386 WeakPolarHBondContact O-CB 3.42Å; K382-A386 PolarHBondContact O-N 3.35Å
383	R	98.9	Very high	98.7	Very high	71 Å²	71	62.5 Å²	62.5	27%	0.268	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-44.7	179.9	179	61.1	68	76.1	5.8	112.5	F350 V353 E354 E379 A380 A386 H387	F350-R383 VanDerWaalsContact CD1-NH1 3.3Å; F350-R383 HydrophobicContact CE1-CB 4.16Å; F350-R383 HydrophobicContact CE1-CG 4.01Å; F350-R383 VanDerWaalsContact CE1-CZ 3.4Å; F350-R383 HydrophobicContact CZ-CB 4.1Å; F350-R383 HydrophobicContact CZ-CG 4.44Å; V353-R383 HydrophobicContact CG2-CB 3.9Å; V353-R383 HydrophobicContact CG2-CG 3.72Å; E354-R383 HydrophobicContact CB-CG 4.26Å; E354-R383 IonicContact OE1-NH1 3.71Å; E354-R383 WeakPolarHBondContact OE2-CD 3.16Å; E354-R383 WeakPolarHBondContact OE2-CG 3.45Å; E354-R383 IonicContact OE2-CZ 3.05Å; E354-R383 IonicContact OE2-NH1 3.62Å; E354-R383 PolarHBondContact OE2-NH1 2.9Å; E379-R383 WeakPolarHBondContact O-CB 3.15Å; E379-R383 PolarHBondContact O-N 2.87Å; A380-R383 PolarHBondContact O-N 3.15Å; R383-A386 PolarHBondContact O-N 3.3Å; R383-H387 PolarHBondContact O-N 3.44Å; R383-H387 PolarHBondContact O-ND1 2.8Å
384	L	98.9	Very high	98.7	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-52.2	176.4	-76.9	166.2	0	0	0	111.3	V353 F360 A380 K382 A386 H387 G388 R389 P392	V353-L384 HydrophobicContact CB-CD2 4.41Å; V353-L384 HydrophobicContact CB-CG 4.47Å; V353-L384 HydrophobicContact CG2-CD2 4.48Å; V353-L384 HydrophobicContact CG2-CG 4.12Å; V353-L384 VanDerWaalsContact O-CD2 3.24Å; V353-L384 WeakPolarHBondContact O-CD2 3.35Å; F360-L384 HydrophobicContact CD2-CD1 3.98Å; F360-L384 HydrophobicContact CE2-CD1 4.32Å; F360-L384 HydrophobicContact CE2-CD2 4.3Å; A380-L384 WeakPolarHBondContact O-CB 3.35Å; A380-L384 VanDerWaalsContact O-CG 3.3Å; A380-L384 WeakPolarHBondContact O-CG 3.17Å; A380-L384 PolarHBondContact O-N 3.23Å; K382-L384 PolarHBondContact O-N 2.99Å; L384-A386 VanDerWaalsContact C-N 3.34Å; L384-A386 PolarHBondContact O-N 2.96Å; L384-H387 CarbonylContact O-C 3.58Å; L384-H387 PolarHBondContact O-N 3.16Å; L384-H387 VanDerWaalsContact O-N 3.13Å; L384-G388 PolarHBondContact O-N 2.99Å; L384-R389 HydrophobicContact CB-CB 4.02Å; L384-R389 HydrophobicContact CD2-CB 3.79Å; L384-R389 HydrophobicContact CD2-CG 3.95Å; L384-R389 VanDerWaalsContact O-CB 3.31Å; L384-R389 WeakPolarHBondContact O-CB 3.29Å; L384-R389 PolarHBondContact O-N 2.91Å; L384-P392 HydrophobicContact CD1-CB 4.33Å; L384-P392 HydrophobicContact CD1-CG 3.9Å
385	Q	98.7	Very high	98.7	Very high	90 Å²	90	62.3 Å²	62.3	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-36	-178.6	-73	177.7	101.3	0	0	112.7	C381 K382 H387 G388 K391	C381-Q385 WeakPolarHBondContact O-CG 3.45Å; C381-Q385 PolarHBondContact O-N 3.26Å; C381-Q385 VanDerWaalsContact O-N 3.09Å; C381-Q385 PolarHBondContact O-NE2 3.08Å; C381-Q385 PolarHBondContact SG-NE2 3.18Å; K382-Q385 PolarHBondContact O-N 3.14Å; Q385-H387 PolarHBondContact O-N 3.16Å; Q385-H387 VanDerWaalsContact O-N 3.11Å; Q385-G388 PolarHBondContact O-N 2.91Å; Q385-K391 HydrophobicContact CG-CB 4.26Å
386	A	98.7	Very high	98.7	Very high	80 Å²	80	61.1 Å²	61.1	66%	0.661	31%	0.309	S	S	*	.	H	α-helix	trans	-60	-21.2	175.7	0	0	0	0	0	113.3	K382 R383 L384	K382-A386 WeakPolarHBondContact O-CB 3.42Å; K382-A386 PolarHBondContact O-N 3.35Å; R383-A386 PolarHBondContact O-N 3.3Å; L384-A386 VanDerWaalsContact C-N 3.34Å; L384-A386 PolarHBondContact O-N 2.96Å
387	H	98.8	Very high	98.7	Very high	105 Å²	105	61.6 Å²	61.6	49%	0.486	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	19.6	177	-64.7	79.7	0	0	0	112.7	E354 R383 L384 Q385 R389	E354-H387 HydrophobicContact CB-CB 3.75Å; E354-H387 VanDerWaalsContact CB-CG 3.43Å; E354-H387 WeakPolarHBondContact CB-ND1 3.36Å; R383-H387 PolarHBondContact O-N 3.44Å; R383-H387 PolarHBondContact O-ND1 2.8Å; L384-H387 CarbonylContact O-C 3.58Å; L384-H387 PolarHBondContact O-N 3.16Å; L384-H387 VanDerWaalsContact O-N 3.13Å; Q385-H387 PolarHBondContact O-N 3.16Å; Q385-H387 VanDerWaalsContact O-N 3.11Å; H387-R389 PolarHBondContact O-N 2.89Å
388	G	98.4	Very high	98.7	Very high	72 Å²	72	65.3 Å²	65.3	74%	0.742	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	16.6	177.2	0	0	0	0	0	114.7	L384 Q385	L384-G388 PolarHBondContact O-N 2.99Å; Q385-G388 PolarHBondContact O-N 2.91Å
389	R	98.5	Very high	98.7	Very high	96 Å²	96	67.8 Å²	67.8	36%	0.362	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-75.9	157.7	173	-57.6	-60.8	-169.1	168.8	6.8	110.5	E354 R355 L384 H387 K391	E354-R389 PolarHBondContact O-NE 2.85Å; E354-R389 PolarHBondContact O-NH2 3.11Å; R355-R389 PolarHBondContact O-NH2 3.37Å; L384-R389 HydrophobicContact CB-CB 4.02Å; L384-R389 HydrophobicContact CD2-CB 3.79Å; L384-R389 HydrophobicContact CD2-CG 3.95Å; L384-R389 VanDerWaalsContact O-CB 3.31Å; L384-R389 WeakPolarHBondContact O-CB 3.29Å; L384-R389 PolarHBondContact O-N 2.91Å; H387-R389 PolarHBondContact O-N 2.89Å; R389-K391 PolarHBondContact O-N 3Å
390	R	97.1	Very high	98.7	Very high	164 Å²	164	66.5 Å²	66.5	62%	0.619	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-57.4	135.4	176.5	-66	-178.9	-65.1	-84.9	-3.1	109.8	E357 T359 P392	E357-R390 PolarHBondContact O-NH2 3.02Å; T359-R390 PolarHBondContact OG1-NH2 3.28Å; R390-P392 WeakPolarHBondContact O-CD 3.39Å
391	K	98.5	Very high	98.7	Very high	153 Å²	153	66.5 Å²	66.5	67%	0.665	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-60.9	122.4	173.4	-177.1	178.4	178.1	179.7	0	109	Q385 R389	Q385-K391 HydrophobicContact CG-CB 4.26Å; R389-K391 PolarHBondContact O-N 3Å
392	P	98.6	Very high	98.7	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.058	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-71	154	177.4	32.7	-38.1	0	0	0	110.9	F360 F362 C381 L384 R390	F360-P392 HydrophobicContact CB-CB 3.9Å; F362-P392 HydrophobicContact CD2-CB 3.94Å; F362-P392 HydrophobicContact CD2-CG 4.32Å; F362-P392 HydrophobicContact CE2-CB 3.72Å; F362-P392 HydrophobicContact CE2-CG 3.97Å; C381-P392 HydrophobicContact CB-CG 3.7Å; L384-P392 HydrophobicContact CD1-CB 4.33Å; L384-P392 HydrophobicContact CD1-CG 3.9Å; R390-P392 WeakPolarHBondContact O-CD 3.39Å
393	Q	98.8	Very high	98.7	Very high	101 Å²	101	62.5 Å²	62.5	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.1	168.9	-174.6	174.7	-3.6	0	0	108.9	F360 L361 F362 I395	F360-Q393 PolarHBondContact O-N 3.4Å; L361-Q393 HydrophobicContact CD1-CB 3.86Å; L361-Q393 HydrophobicContact CD1-CG 3.72Å; F362-Q393 PolarHBondContact N-O 2.82Å; Q393-I395 HydrophobicContact CG-CG1 4.31Å
394	I	98.9	Very high	98.7	Very high	46 Å²	46	59.3 Å²	59.3	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.5	174.2	-52.8	177.1	0	0	0	107.1	F362 V364 A377 C381	F362-I394 HydrophobicContact CB-CB 4.35Å; F362-I394 HydrophobicContact CB-CG1 4.11Å; F362-I394 HydrophobicContact CB-CG2 4.14Å; F362-I394 HydrophobicContact CD2-CG1 4.14Å; F362-I394 HydrophobicContact CG-CG1 4.42Å; F362-I394 WeakPolarHBondContact O-CA 3.34Å; V364-I394 HydrophobicContact CG2-CG2 4.3Å; A377-I394 HydrophobicContact CB-CD1 4.15Å; A377-I394 HydrophobicContact CB-CG2 4.2Å; C381-I394 HydrophobicContact CB-CD1 3.9Å
395	I	98.9	Very high	98.7	Very high	27 Å²	27	59.7 Å²	59.7	14%	0.138	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.8	172.5	-52	179.1	0	0	0	107	L361 F362 L363 V364 Q393 Y397 Q443	L361-I395 HydrophobicContact CD1-CD1 4.07Å; L361-I395 HydrophobicContact CD1-CG1 4.14Å; F362-I395 PolarHBondContact O-N 2.85Å; L363-I395 HydrophobicContact CD2-CB 3.97Å; L363-I395 HydrophobicContact CD2-CD1 3.87Å; L363-I395 HydrophobicContact CD2-CG1 4.19Å; V364-I395 PolarHBondContact N-O 2.91Å; Q393-I395 HydrophobicContact CG-CG1 4.31Å; I395-Y397 HydrophobicContact CB-CE2 4.34Å; I395-Y397 HydrophobicContact CG2-CD1 4.43Å; I395-Y397 HydrophobicContact CG2-CD2 4.43Å; I395-Y397 HydrophobicContact CG2-CE1 3.83Å; I395-Y397 HydrophobicContact CG2-CE2 3.84Å; I395-Q443 HydrophobicContact CD1-CB 4.15Å; I395-Q443 HydrophobicContact CD1-CG 3.67Å
396	C	98.9	Very high	98.7	Very high	37 Å²	37	55.4 Å²	55.4	25%	0.25	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.6	176.9	-66.8	0	0	0	0	109	V364 Q366 E374	V364-C396 CarbonylContact O-C 3.58Å; V364-C396 WeakPolarHBondContact O-CA 3.46Å; Q366-C396 HydrophobicContact CG-CB 3.74Å; E374-C396 PolarHBondContact OE1-SG 2.97Å; E374-C396 VanDerWaalsContact OE1-SG 3.41Å
397	Y	98.9	Very high	98.7	Very high	19 Å²	19	51.8 Å²	51.8	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.3	178.2	-62.7	-75.8	0	0	0	109.8	L363 V364 Q366 I395 T400 I404 A436 D439 A440	L363-Y397 HydrophobicContact CB-CE2 4.37Å; L363-Y397 HydrophobicContact CD2-CE2 4.21Å; V364-Y397 PolarHBondContact O-N 2.57Å; Q366-Y397 WeakPolarHBondContact CB-O 3.41Å; Q366-Y397 PolarHBondContact N-O 2.9Å; I395-Y397 HydrophobicContact CB-CE2 4.34Å; I395-Y397 HydrophobicContact CG2-CD1 4.43Å; I395-Y397 HydrophobicContact CG2-CD2 4.43Å; I395-Y397 HydrophobicContact CG2-CE1 3.83Å; I395-Y397 HydrophobicContact CG2-CE2 3.84Å; Y397-T400 WeakPolarHBondContact CB-OG1 3.19Å; Y397-T400 WeakPolarHBondContact O-CB 3.21Å; Y397-I404 HydrophobicContact CD2-CD1 4.48Å; Y397-A436 HydrophobicContact CD1-CB 3.72Å; Y397-A436 HydrophobicContact CD2-CB 4.25Å; Y397-A436 HydrophobicContact CE1-CB 4.44Å; Y397-A436 HydrophobicContact CG-CB 3.6Å; Y397-D439 HydrophobicContact CE1-CB 3.87Å; Y397-D439 VanDerWaalsContact CE1-OD2 3.24Å; Y397-D439 WeakPolarHBondContact CE1-OD2 3.46Å; Y397-D439 PolarHBondContact OH-OD2 3.16Å; Y397-A440 HydrophobicContact CE2-CB 4.12Å; Y397-A440 WeakPolarHBondContact OH-CA 3.2Å; Y397-A440 PolarHBondContact OH-N 2.92Å
398	P	98.8	Very high	98.7	Very high	79 Å²	79	47.8 Å²	47.8	51%	0.513	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	151.5	173.7	-23.3	34.3	0	0	0	112	T400	P398-T400 PolarHBondContact O-N 3.41Å; P398-T400 PolarHBondContact O-OG1 2.86Å
399	E	98.8	Very high	98.7	Very high	116 Å²	116	44.9 Å²	44.9	54%	0.542	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	33	172.8	-58	177.3	118.8	0	0	113.3	G428 E429 A432	E399-G428 CarbonylContact O-C 3.39Å; E399-G428 VanDerWaalsContact O-CA 3.31Å; E399-G428 WeakPolarHBondContact O-CA 3.46Å; E399-E429 HydrophobicContact CB-CB 4.09Å; E399-E429 HydrophobicContact CB-CG 4.08Å; E399-E429 HydrophobicContact CG-CG 4.44Å; E399-E429 PolarHBondContact O-N 3.09Å; E399-A432 HydrophobicContact CB-CB 3.6Å
400	T	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.			trans	-121.9	123.2	-176.6	-63.7	0	0	0	0	108.2	G365 Q366 D367 Y397 P398 I404 H433 A436	G365-T400 CarbonylContact C-O 3.59Å; G365-T400 WeakPolarHBondContact CA-O 3.46Å; Q366-T400 PolarHBondContact N-O 2.75Å; D367-T400 CarbonylContact C-O 3.53Å; D367-T400 WeakPolarHBondContact CA-O 3.1Å; D367-T400 PolarHBondContact N-O 2.91Å; Y397-T400 WeakPolarHBondContact CB-OG1 3.19Å; Y397-T400 WeakPolarHBondContact O-CB 3.21Å; P398-T400 PolarHBondContact O-N 3.41Å; P398-T400 PolarHBondContact O-OG1 2.86Å; T400-I404 HydrophobicContact CG2-CD1 3.82Å; T400-I404 HydrophobicContact CG2-CG1 3.71Å; T400-H433 VanDerWaalsContact CG2-ND1 3.26Å; T400-H433 WeakPolarHBondContact CG2-ND1 3.4Å; T400-A436 HydrophobicContact CG2-CB 3.69Å; T400-A436 VanDerWaalsContact OG1-CB 3.23Å; T400-A436 WeakPolarHBondContact OG1-CB 3.42Å
401	G	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.			trans	-84.7	-160.9	-179.2	0	0	0	0	0	115.6	N297 D367 W426 G427 H433	N297-G401 PolarHBondContact ND2-O 2.91Å; D367-G401 WeakPolarHBondContact O-CA 3.43Å; G401-W426 CarbonylContact C-O 3.55Å; G401-W426 VanDerWaalsContact CA-O 3.27Å; G401-W426 WeakPolarHBondContact CA-O 3.46Å; G401-G427 VanDerWaalsContact CA-C 3.5Å; G401-H433 PolarHBondContact N-ND1 3.22Å
402	H	98.9	Very high	98.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-67.5	-43.6	-171.5	-167.9	61.7	0	0	0	114.4	S274 N297 D368 N370 W371 I404 W426	S274-H402 VanDerWaalsContact CB-NE2 3.26Å; S274-H402 WeakPolarHBondContact CB-NE2 3.44Å; S274-H402 PolarHBondContact OG-NE2 2.75Å; N297-H402 WeakPolarHBondContact ND2-CA 3.23Å; N297-H402 PolarHBondContact ND2-O 2.91Å; D368-H402 VanDerWaalsContact CG-ND1 3.28Å; D368-H402 WeakPolarHBondContact OD1-CB 3.46Å; D368-H402 IonicContact OD1-CG 3.49Å; D368-H402 IonicContact OD1-ND1 3.36Å; D368-H402 PolarHBondContact OD1-ND1 3.29Å; D368-H402 IonicContact OD2-CE1 2.84Å; D368-H402 IonicContact OD2-CG 3.29Å; D368-H402 IonicContact OD2-ND1 2.68Å; D368-H402 PolarHBondContact OD2-ND1 3.29Å; N370-H402 HydrophobicContact CB-CB 4Å; N370-H402 VanDerWaalsContact CB-CG 3.45Å; N370-H402 WeakPolarHBondContact CB-ND1 3.26Å; N370-H402 PolarHBondContact ND2-CE1 2.89Å; N370-H402 VanDerWaalsContact ND2-CE1 3.27Å; W371-H402 AromaticContact CD1-CE1 3.94Å; W371-H402 AromaticContact NE1-CE1 3.48Å; W371-H402 PolarHBondContact NE1-CE1 3.09Å; W371-H402 AromaticContact NE1-ND1 3.9Å; H402-I404 PolarHBondContact O-N 2.86Å; H402-I404 VanDerWaalsContact O-N 3.16Å; H402-W426 HydrophobicContact CB-CB 4.34Å; H402-W426 HydrophobicContact CB-CE3 4.2Å; H402-W426 PolarHBondContact N-O 3.04Å
403	Y	98.8	Very high	98.8	Very high	43 Å²	43	33.1 Å²	33.1	17%	0.169	16%	0.163	C	C	.	.			trans	-90.5	72.7	-172.2	-72.1	-69.5	0	0	0	113.1	E405 W426 H433	Y403-E405 VanDerWaalsContact C-N 3.31Å; Y403-E405 PolarHBondContact O-N 3Å; Y403-W426 HydrophobicContact CD2-CB 4.21Å; Y403-W426 AromaticContact CD2-CD2 3.95Å; Y403-W426 HydrophobicContact CD2-CD2 3.95Å; Y403-W426 HydrophobicContact CD2-CE3 4.2Å; Y403-W426 AromaticContact CD2-CG 3.91Å; Y403-W426 HydrophobicContact CD2-CG 3.91Å; Y403-W426 AromaticContact CE2-CD2 3.37Å; Y403-W426 HydrophobicContact CE2-CD2 3.37Å; Y403-W426 AromaticContact CE2-CE2 3.53Å; Y403-W426 AromaticContact CE2-CE3 3.52Å; Y403-W426 HydrophobicContact CE2-CE3 3.52Å; Y403-W426 AromaticContact CE2-CG 3.8Å; Y403-W426 HydrophobicContact CE2-CG 3.8Å; Y403-W426 AromaticContact CE2-CH2 3.91Å; Y403-W426 HydrophobicContact CE2-CH2 3.91Å; Y403-W426 AromaticContact CE2-CZ2 3.82Å; Y403-W426 HydrophobicContact CE2-CZ2 3.82Å; Y403-W426 AromaticContact CE2-CZ3 3.78Å; Y403-W426 HydrophobicContact CE2-CZ3 3.78Å; Y403-W426 AromaticContact CE2-NE1 3.99Å; Y403-W426 VanDerWaalsContact OH-CH2 3.26Å; Y403-W426 WeakPolarHBondContact OH-CH2 3.49Å; Y403-H433 PolarHBondContact O-NE2 3.06Å
404	I	98.9	Very high	98.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	15%	0.145	C	C	.	.			trans	-74.2	86.7	170.5	-53	172.9	0	0	0	109	I296 Y397 T400 H402 Q437 A440	I296-I404 HydrophobicContact CG2-CB 3.76Å; I296-I404 HydrophobicContact CG2-CD1 4.03Å; I296-I404 HydrophobicContact CG2-CG1 4.29Å; I296-I404 HydrophobicContact CG2-CG2 4.41Å; Y397-I404 HydrophobicContact CD2-CD1 4.48Å; T400-I404 HydrophobicContact CG2-CD1 3.82Å; T400-I404 HydrophobicContact CG2-CG1 3.71Å; H402-I404 PolarHBondContact O-N 2.86Å; H402-I404 VanDerWaalsContact O-N 3.16Å; I404-Q437 HydrophobicContact CG2-CG 4.11Å; I404-A440 HydrophobicContact CG2-CB 3.88Å
405	E	98.9	Very high	98.6	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.056	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-80.5	172.1	177.4	-59.8	-59.9	159.8	0	0	112.1	R134 Y215 Y403 F409 Q437	R134-E405 IonicContact CZ-OE1 3.81Å; R134-E405 IonicContact NH2-OE1 2.73Å; R134-E405 PolarHBondContact NH2-OE1 2.86Å; Y215-E405 VanDerWaalsContact CE2-OE2 3.23Å; Y215-E405 WeakPolarHBondContact CE2-OE2 3.41Å; Y215-E405 PolarHBondContact OH-OE2 3.05Å; Y403-E405 VanDerWaalsContact C-N 3.31Å; Y403-E405 PolarHBondContact O-N 3Å; E405-F409 HydrophobicContact CB-CB 3.63Å; E405-F409 HydrophobicContact CB-CD2 4.19Å; E405-F409 HydrophobicContact CB-CG 3.91Å; E405-F409 HydrophobicContact CG-CB 4.22Å; E405-F409 HydrophobicContact CG-CG 4.45Å; E405-Q437 WeakPolarHBondContact O-CB 3.24Å; E405-Q437 VanDerWaalsContact O-CG 3.32Å; E405-Q437 WeakPolarHBondContact O-CG 3.33Å; E405-Q437 PolarHBondContact O-NE2 3.39Å
406	P	98.9	Very high	98.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.16	C	C	.	.	S	Bend	trans	-52.9	161.1	166.5	-26.4	36.7	0	0	0	112.8	Y215 R216 L219 F409 Q437 W441	Y215-P406 HydrophobicContact CD2-CG 4.24Å; Y215-P406 HydrophobicContact CE2-CG 4.39Å; R216-P406 HydrophobicContact CB-CG 4.02Å; R216-P406 HydrophobicContact CG-CG 3.97Å; L219-P406 HydrophobicContact CD1-CB 3.95Å; L219-P406 HydrophobicContact CD1-CG 4.27Å; P406-F409 HydrophobicContact CB-CD2 4.16Å; P406-F409 HydrophobicContact CB-CE2 4.24Å; P406-F409 HydrophobicContact CG-CE2 4.36Å; P406-F409 WeakPolarHBondContact O-CD2 3.18Å; P406-F409 PolarHBondContact O-N 3.4Å; P406-Q437 PolarHBondContact O-NE2 3.4Å; P406-Q437 VanDerWaalsContact O-NE2 3.15Å; P406-W441 HydrophobicContact CB-CE3 4.47Å; P406-W441 HydrophobicContact CB-CZ3 4.45Å; P406-W441 HydrophobicContact CG-CZ3 4.31Å
407	P	98.9	Very high	98	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.019	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	145.2	-174.5	-28.1	35.3	0	0	0	113.9	W57 D58 F409 V438 W441	W57-P407 VanDerWaalsContact CD1-O 3.23Å; W57-P407 PolarHBondContact NE1-O 3.3Å; D58-P407 HydrophobicContact CB-CB 4.27Å; D58-P407 HydrophobicContact CB-CG 4.07Å; P407-F409 PolarHBondContact O-N 3.43Å; P407-F409 VanDerWaalsContact O-N 3.09Å; P407-V438 HydrophobicContact CB-CG2 4.05Å; P407-W441 VanDerWaalsContact CD-CG 3.45Å; P407-W441 HydrophobicContact CG-CB 3.56Å; P407-W441 VanDerWaalsContact CG-CD1 3.46Å; P407-W441 HydrophobicContact CG-CD2 4.39Å; P407-W441 HydrophobicContact CG-CG 3.55Å
408	Y	98.8	Very high	97.2	Very high	21 Å²	21	33.7 Å²	33.7	8%	0.082	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	3.4	174.8	-41.6	-60.6	0	0	0	116.6	W57 M120 V438	W57-Y408 WeakPolarHBondContact CZ2-O 3Å; W57-Y408 WeakPolarHBondContact O-CD2 3.49Å; M120-Y408 HydrophobicContact CB-CD1 3.94Å; M120-Y408 HydrophobicContact CB-CE1 3.58Å; M120-Y408 HydrophobicContact CE-CD1 4.02Å; M120-Y408 HydrophobicContact CE-CD2 3.93Å; M120-Y408 HydrophobicContact CE-CE1 3.97Å; M120-Y408 HydrophobicContact CE-CE2 3.86Å; M120-Y408 HydrophobicContact CE-CG 3.99Å; M120-Y408 HydrophobicContact CG-CD1 4.35Å; M120-Y408 HydrophobicContact CG-CE1 3.65Å; Y408-V438 HydrophobicContact CE1-CG2 4Å
409	F	98.8	Very high	96.2	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.048	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-61.9	128	161	-90.3	-92.6	0	0	0	109.4	W57 L135 F171 Y215 E405 P406 P407 Q437	W57-F409 AromaticContact CD1-CD2 3.53Å; W57-F409 AromaticContact CD1-CE2 3.49Å; W57-F409 VanDerWaalsContact CD1-CE2 3.49Å; W57-F409 HydrophobicContact CG-CE2 4.32Å; W57-F409 AromaticContact NE1-CD2 3.16Å; W57-F409 AromaticContact NE1-CE2 3.5Å; W57-F409 AromaticContact NE1-CG 3.69Å; L135-F409 HydrophobicContact CD2-CD1 4.21Å; L135-F409 HydrophobicContact CD2-CE1 3.86Å; F171-F409 AromaticContact CE1-CE2 3.76Å; F171-F409 HydrophobicContact CE1-CE2 3.76Å; F171-F409 AromaticContact CE1-CZ 3.52Å; F171-F409 HydrophobicContact CE1-CZ 3.52Å; F171-F409 HydrophobicContact CZ-CE2 4.46Å; F171-F409 HydrophobicContact CZ-CZ 4.08Å; Y215-F409 HydrophobicContact CD2-CE2 4.06Å; Y215-F409 AromaticContact CD2-CZ 3.78Å; Y215-F409 HydrophobicContact CD2-CZ 3.78Å; Y215-F409 HydrophobicContact CE2-CE2 4.39Å; Y215-F409 HydrophobicContact CE2-CZ 4.08Å; Y215-F409 HydrophobicContact CG-CZ 4.1Å; E405-F409 HydrophobicContact CB-CB 3.63Å; E405-F409 HydrophobicContact CB-CD2 4.19Å; E405-F409 HydrophobicContact CB-CG 3.91Å; E405-F409 HydrophobicContact CG-CB 4.22Å; E405-F409 HydrophobicContact CG-CG 4.45Å; P406-F409 HydrophobicContact CB-CD2 4.16Å; P406-F409 HydrophobicContact CB-CE2 4.24Å; P406-F409 HydrophobicContact CG-CE2 4.36Å; P406-F409 WeakPolarHBondContact O-CD2 3.18Å; P406-F409 PolarHBondContact O-N 3.4Å; P407-F409 PolarHBondContact O-N 3.43Å; P407-F409 VanDerWaalsContact O-N 3.09Å; F409-Q437 PolarHBondContact O-NE2 2.92Å; F409-Q437 PolarHBondContact O-OE1 2.81Å
410	P	98.7	Very high	95.4	Very high	16 Å²	16	31.8 Å²	31.8	10%	0.104	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-68.7	145.2	-178.9	26.4	-33	0	0	0	111.7	F88 L126 L135 C412	F88-P410 HydrophobicContact CD1-CG 4.33Å; F88-P410 HydrophobicContact CE1-CG 4.43Å; L126-P410 HydrophobicContact CB-CB 4.03Å; L126-P410 HydrophobicContact CB-CG 4.26Å; L126-P410 WeakPolarHBondContact O-CB 3.31Å; L135-P410 HydrophobicContact CB-CG 4.38Å; L135-P410 HydrophobicContact CD1-CG 3.9Å; P410-C412 PolarHBondContact O-N 3.46Å
411	L	98.8	Very high	94.8	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.147	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-62	126.3	176.6	173	62.3	0	0	0	111	R413 G428 P430 H433	L411-R413 HydrophobicContact CD2-CG 3.67Å; L411-R413 HydrophobicContact CG-CG 3.8Å; L411-G428 WeakPolarHBondContact CD2-O 3.47Å; L411-P430 HydrophobicContact CD2-CG 4.21Å; L411-H433 HydrophobicContact CD1-CB 4.46Å; L411-H433 HydrophobicContact CD2-CB 4.39Å
412	C	98.4	Very high	94.4	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.108	21%	0.214	C	C	.	.			trans	-98.6	94.5	167	176.5	0	0	0	0	109.4	R134 P410 A414 W426	R134-C412 HydrophobicContact CB-CB 4.2Å; R134-C412 HydrophobicContact CG-CB 3.87Å; P410-C412 PolarHBondContact O-N 3.46Å; C412-A414 VanDerWaalsContact C-N 3.34Å; C412-A414 PolarHBondContact O-N 3.21Å; C412-A414 PolarHBondContact SG-O 3.07Å; C412-W426 VanDerWaalsContact O-CD1 3.29Å
413	R	97.8	Very high	94.3	Very high	116 Å²	116	38.6 Å²	38.6	44%	0.438	23%	0.228	S	C	.	.			trans	-65.3	-35.4	-175.4	-60.7	-175.3	98.9	-176.8	7.1	113.5	L411 I425 W426 E429	L411-R413 HydrophobicContact CD2-CG 3.67Å; L411-R413 HydrophobicContact CG-CG 3.8Å; R413-I425 WeakPolarHBondContact O-CA 3.27Å; R413-W426 PolarHBondContact O-N 2.97Å; R413-E429 IonicContact CZ-OE1 2.83Å; R413-E429 IonicContact CZ-OE2 3.88Å; R413-E429 IonicContact NH2-OE1 2.66Å; R413-E429 PolarHBondContact NH2-OE1 3.12Å; R413-E429 IonicContact NH2-OE2 3.9Å; R413-E429 PolarHBondContact NH2-OE2 3.46Å
414	A	97.9	Very high	94.2	Very high	12 Å²	12	36.6 Å²	36.6	10%	0.099	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146.6	179.3	0	0	0	0	0	111.2	L132 Y331 C412 I424 I425	L132-A414 WeakPolarHBondContact CA-O 3.44Å; L132-A414 HydrophobicContact CD2-CB 3.66Å; Y331-A414 HydrophobicContact CD2-CB 4.29Å; Y331-A414 HydrophobicContact CE2-CB 4.29Å; Y331-A414 HydrophobicContact CG-CB 4.38Å; C412-A414 VanDerWaalsContact C-N 3.34Å; C412-A414 PolarHBondContact O-N 3.21Å; C412-A414 PolarHBondContact SG-O 3.07Å; A414-I424 WeakPolarHBondContact CA-O 3.47Å; A414-I424 WeakPolarHBondContact CB-O 3.4Å; A414-I425 HydrophobicContact CB-CG2 4.39Å
415	S	97.3	Very high	94.2	Very high	13 Å²	13	37.9 Å²	37.9	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	170.4	171.6	71.3	0	0	0	0	110.8	H417 P423 I424 W426	S415-H417 PolarHBondContact O-N 2.84Å; S415-P423 WeakPolarHBondContact O-CA 3.48Å; S415-I424 PolarHBondContact N-O 3.29Å; S415-I424 PolarHBondContact O-N 2.68Å; S415-W426 WeakPolarHBondContact OG-CZ2 3.31Å; S415-W426 PolarHBondContact OG-NE1 2.68Å
416	L	93.7	Very high	94.2	Very high	113 Å²	113	37.5 Å²	37.5	59%	0.592	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	123.2	170.7	-177.5	65.9	0	0	0	110.3
417	H	90.4	Very high	94.2	Very high	16 Å²	16	37.9 Å²	37.9	7%	0.074	23%	0.229	C	C	.	.			trans	-91.6	114.1	172.2	-174.4	-58.6	0	0	0	109.9	S415 L419 V420 G421 S422 I424 W426	S415-H417 PolarHBondContact O-N 2.84Å; H417-L419 VanDerWaalsContact C-N 3.3Å; H417-L419 PolarHBondContact ND1-N 2.79Å; H417-L419 VanDerWaalsContact ND1-N 3.17Å; H417-L419 PolarHBondContact O-N 3.01Å; H417-L419 VanDerWaalsContact O-N 3.15Å; H417-V420 HydrophobicContact CB-CB 4.07Å; H417-V420 HydrophobicContact CB-CG2 4.18Å; H417-V420 PolarHBondContact ND1-N 2.84Å; H417-V420 PolarHBondContact O-N 3.49Å; H417-G421 PolarHBondContact O-N 2.99Å; H417-S422 PolarHBondContact N-O 3.06Å; H417-I424 HydrophobicContact CB-CD1 3.85Å; H417-I424 HydrophobicContact CB-CG1 3.93Å; H417-I424 HydrophobicContact CB-CG2 3.91Å; H417-I424 VanDerWaalsContact CD2-CD1 3.43Å; H417-I424 WeakPolarHBondContact CD2-CD1 3.43Å; H417-W426 HydrophobicContact CB-CH2 4.26Å; H417-W426 HydrophobicContact CB-CZ2 4.34Å; H417-W426 AromaticContact CD2-CH2 3.27Å; H417-W426 WeakPolarHBondContact CD2-CH2 3.5Å; H417-W426 AromaticContact CD2-CZ3 3.79Å
418	A	81.3	Confident	94.2	Very high	87 Å²	87	37.8 Å²	37.8	72%	0.719	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-39.2	-171.8	0	0	0	0	0	114.3
419	L	79.5	Confident	94.2	Very high	109 Å²	109	40.3 Å²	40.3	57%	0.571	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-24.5	179.7	-53.2	174.9	0	0	0	114.5	T208 H417	T208-L419 HydrophobicContact CG2-CD1 4.29Å; H417-L419 VanDerWaalsContact C-N 3.3Å; H417-L419 PolarHBondContact ND1-N 2.79Å; H417-L419 VanDerWaalsContact ND1-N 3.17Å; H417-L419 PolarHBondContact O-N 3.01Å; H417-L419 VanDerWaalsContact O-N 3.15Å
420	V	81.4	Confident	94.2	Very high	47 Å²	47	41.7 Å²	41.7	29%	0.285	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-32	-179.3	-179.8	0	0	0	0	109.6	I334 H417 S422 I424	I334-V420 HydrophobicContact CD1-CG2 4.11Å; I334-V420 HydrophobicContact CG2-CG1 4.47Å; I334-V420 HydrophobicContact CG2-CG2 4.35Å; H417-V420 HydrophobicContact CB-CB 4.07Å; H417-V420 HydrophobicContact CB-CG2 4.18Å; H417-V420 PolarHBondContact ND1-N 2.84Å; H417-V420 PolarHBondContact O-N 3.49Å; V420-S422 VanDerWaalsContact C-N 3.34Å; V420-S422 WeakPolarHBondContact CG1-OG 3.5Å; V420-I424 HydrophobicContact CG1-CG2 4.37Å
421	G	86.5	Confident	94.2	Very high	57 Å²	57	47.5 Å²	47.5	59%	0.588	27%	0.271	S	S	*	.			trans	82.5	9	179.3	0	0	0	0	0	114.1	H417	H417-G421 PolarHBondContact O-N 2.99Å
422	S	90.4	Very high	94.2	Very high	40 Å²	40	47.3 Å²	47.3	28%	0.28	27%	0.273	S	S	.	.	S	Bend	trans	-136.4	161.9	179.1	62.3	0	0	0	0	112.3	H417 V420 I424	H417-S422 PolarHBondContact N-O 3.06Å; V420-S422 VanDerWaalsContact C-N 3.34Å; V420-S422 WeakPolarHBondContact CG1-OG 3.5Å; S422-I424 PolarHBondContact O-N 3.12Å
423	P	96.2	Very high	94.2	Very high	47 Å²	47	46.6 Å²	46.6	31%	0.305	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.9	168.9	-21.8	34.7	0	0	0	111.1	L132 Y331 A332 S415	L132-P423 HydrophobicContact CD1-CB 3.87Å; L132-P423 HydrophobicContact CD1-CG 3.76Å; L132-P423 HydrophobicContact CD2-CB 4.21Å; Y331-P423 HydrophobicContact CD1-CB 3.93Å; Y331-P423 HydrophobicContact CE1-CB 4.35Å; A332-P423 PolarHBondContact N-O 3.38Å; A332-P423 VanDerWaalsContact N-O 3.11Å; S415-P423 WeakPolarHBondContact O-CA 3.48Å
424	I	97.8	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.4	174.7	77	166.7	0	0	0	110.6	A332 I334 A414 S415 H417 V420 S422 W426	A332-I424 HydrophobicContact CB-CG2 4.09Å; A332-I424 CarbonylContact O-C 3.57Å; A332-I424 WeakPolarHBondContact O-CA 3.36Å; A332-I424 VanDerWaalsContact O-CB 3.29Å; A332-I424 WeakPolarHBondContact O-CB 2.89Å; I334-I424 HydrophobicContact CD1-CD1 3.44Å; I334-I424 VanDerWaalsContact CD1-CD1 3.44Å; I334-I424 HydrophobicContact CG1-CD1 3.77Å; I334-I424 HydrophobicContact CG2-CG2 3.99Å; A414-I424 WeakPolarHBondContact CA-O 3.47Å; A414-I424 WeakPolarHBondContact CB-O 3.4Å; S415-I424 PolarHBondContact N-O 3.29Å; S415-I424 PolarHBondContact O-N 2.68Å; H417-I424 HydrophobicContact CB-CD1 3.85Å; H417-I424 HydrophobicContact CB-CG1 3.93Å; H417-I424 HydrophobicContact CB-CG2 3.91Å; H417-I424 VanDerWaalsContact CD2-CD1 3.43Å; H417-I424 WeakPolarHBondContact CD2-CD1 3.43Å; V420-I424 HydrophobicContact CG1-CG2 4.37Å; S422-I424 PolarHBondContact O-N 3.12Å; I424-W426 HydrophobicContact CD1-CD2 4.18Å; I424-W426 HydrophobicContact CD1-CE3 3.89Å; I424-W426 HydrophobicContact CD1-CH2 3.72Å; I424-W426 HydrophobicContact CD1-CZ2 3.96Å; I424-W426 HydrophobicContact CD1-CZ3 3.67Å; I424-W426 HydrophobicContact CG1-CD2 4.14Å; I424-W426 HydrophobicContact CG1-CE3 4.36Å; I424-W426 HydrophobicContact CG1-CH2 4.16Å; I424-W426 HydrophobicContact CG1-CZ2 3.86Å; I424-W426 HydrophobicContact CG1-CZ3 4.39Å
425	I	98.4	Very high	94.3	Very high	30 Å²	30	43.9 Å²	43.9	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	144.8	166.3	55.9	163.8	0	0	0	111.5	T327 Y331 A332 D333 H369 R413 A414	T327-I425 HydrophobicContact CG2-CD1 3.78Å; T327-I425 HydrophobicContact CG2-CG1 4.23Å; T327-I425 HydrophobicContact CG2-CG2 4.23Å; Y331-I425 HydrophobicContact CD2-CG2 3.89Å; Y331-I425 HydrophobicContact CG-CG2 4.17Å; A332-I425 PolarHBondContact O-N 3.17Å; A332-I425 VanDerWaalsContact O-N 3.07Å; D333-I425 HydrophobicContact CB-CD1 4Å; D333-I425 HydrophobicContact CB-CG1 4.07Å; H369-I425 HydrophobicContact CB-CD1 4.05Å; H369-I425 HydrophobicContact CB-CG1 3.95Å; H369-I425 WeakPolarHBondContact CB-O 3.29Å; H369-I425 WeakPolarHBondContact ND1-CD1 3.3Å; R413-I425 WeakPolarHBondContact O-CA 3.27Å; A414-I425 HydrophobicContact CB-CG2 4.39Å
426	W	98.6	Very high	94.4	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.019	26%	0.257	C	S	.	.			trans	-106.7	-10.2	175.5	-55.3	109.6	0	0	0	112.6	H369 N370 G401 H402 Y403 C412 R413 S415 H417 I424	H369-W426 PolarHBondContact N-O 2.78Å; N370-W426 HydrophobicContact CB-CE3 4.07Å; N370-W426 HydrophobicContact CB-CZ3 4.1Å; G401-W426 CarbonylContact C-O 3.55Å; G401-W426 VanDerWaalsContact CA-O 3.27Å; G401-W426 WeakPolarHBondContact CA-O 3.46Å; H402-W426 HydrophobicContact CB-CB 4.34Å; H402-W426 HydrophobicContact CB-CE3 4.2Å; H402-W426 PolarHBondContact N-O 3.04Å; Y403-W426 HydrophobicContact CD2-CB 4.21Å; Y403-W426 AromaticContact CD2-CD2 3.95Å; Y403-W426 HydrophobicContact CD2-CD2 3.95Å; Y403-W426 HydrophobicContact CD2-CE3 4.2Å; Y403-W426 AromaticContact CD2-CG 3.91Å; Y403-W426 HydrophobicContact CD2-CG 3.91Å; Y403-W426 AromaticContact CE2-CD2 3.37Å; Y403-W426 HydrophobicContact CE2-CD2 3.37Å; Y403-W426 AromaticContact CE2-CE2 3.53Å; Y403-W426 AromaticContact CE2-CE3 3.52Å; Y403-W426 HydrophobicContact CE2-CE3 3.52Å; Y403-W426 AromaticContact CE2-CG 3.8Å; Y403-W426 HydrophobicContact CE2-CG 3.8Å; Y403-W426 AromaticContact CE2-CH2 3.91Å; Y403-W426 HydrophobicContact CE2-CH2 3.91Å; Y403-W426 AromaticContact CE2-CZ2 3.82Å; Y403-W426 HydrophobicContact CE2-CZ2 3.82Å; Y403-W426 AromaticContact CE2-CZ3 3.78Å; Y403-W426 HydrophobicContact CE2-CZ3 3.78Å; Y403-W426 AromaticContact CE2-NE1 3.99Å; Y403-W426 VanDerWaalsContact OH-CH2 3.26Å; Y403-W426 WeakPolarHBondContact OH-CH2 3.49Å; C412-W426 VanDerWaalsContact O-CD1 3.29Å; R413-W426 PolarHBondContact O-N 2.97Å; S415-W426 WeakPolarHBondContact OG-CZ2 3.31Å; S415-W426 PolarHBondContact OG-NE1 2.68Å; H417-W426 HydrophobicContact CB-CH2 4.26Å; H417-W426 HydrophobicContact CB-CZ2 4.34Å; H417-W426 AromaticContact CD2-CH2 3.27Å; H417-W426 WeakPolarHBondContact CD2-CH2 3.5Å; H417-W426 AromaticContact CD2-CZ3 3.79Å; I424-W426 HydrophobicContact CD1-CD2 4.18Å; I424-W426 HydrophobicContact CD1-CE3 3.89Å; I424-W426 HydrophobicContact CD1-CH2 3.72Å; I424-W426 HydrophobicContact CD1-CZ2 3.96Å; I424-W426 HydrophobicContact CD1-CZ3 3.67Å; I424-W426 HydrophobicContact CG1-CD2 4.14Å; I424-W426 HydrophobicContact CG1-CE3 4.36Å; I424-W426 HydrophobicContact CG1-CH2 4.16Å; I424-W426 HydrophobicContact CG1-CZ2 3.86Å; I424-W426 HydrophobicContact CG1-CZ3 4.39Å
427	G	98.6	Very high	94.6	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	23%	0.23	C	C	.	.			trans	75	-178.9	-174.9	0	0	0	0	0	114.1	D367 G401	D367-G427 VanDerWaalsContact O-CA 3.31Å; D367-G427 WeakPolarHBondContact O-CA 3.33Å; D367-G427 WeakPolarHBondContact OD2-CA 3.42Å; G401-G427 VanDerWaalsContact CA-C 3.5Å
428	G	98.6	Very high	95	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	23%	0.233	C	C	.	.			trans	99.8	147.4	-178.8	0	0	0	0	0	114.3	D367 E399 L411	D367-G428 PolarHBondContact OD2-N 2.66Å; E399-G428 CarbonylContact O-C 3.39Å; E399-G428 VanDerWaalsContact O-CA 3.31Å; E399-G428 WeakPolarHBondContact O-CA 3.46Å; L411-G428 WeakPolarHBondContact CD2-O 3.47Å
429	E	98.7	Very high	95.9	Very high	75 Å²	75	37.1 Å²	37.1	35%	0.35	21%	0.213	S	C	.	.			trans	-106.4	136.7	168.1	-67.5	-55	127.6	0	0	110.4	E399 R413 R431 A432 H433	E399-E429 HydrophobicContact CB-CB 4.09Å; E399-E429 HydrophobicContact CB-CG 4.08Å; E399-E429 HydrophobicContact CG-CG 4.44Å; E399-E429 PolarHBondContact O-N 3.09Å; R413-E429 IonicContact CZ-OE1 2.83Å; R413-E429 IonicContact CZ-OE2 3.88Å; R413-E429 IonicContact NH2-OE1 2.66Å; R413-E429 PolarHBondContact NH2-OE1 3.12Å; R413-E429 IonicContact NH2-OE2 3.9Å; R413-E429 PolarHBondContact NH2-OE2 3.46Å; E429-R431 PolarHBondContact O-N 3.38Å; E429-R431 VanDerWaalsContact O-N 3.17Å; E429-A432 HydrophobicContact CB-CB 4.44Å; E429-A432 PolarHBondContact O-N 2.8Å; E429-H433 WeakPolarHBondContact O-CB 3.17Å; E429-H433 PolarHBondContact O-N 2.94Å
430	P	98.6	Very high	96.8	Very high	40 Å²	40	32 Å²	32	26%	0.26	19%	0.187	S	C	.	.	H	α-helix	trans	-50.2	-50.3	-167.1	-30.5	35	0	0	0	114.7	W124 L411 A434	W124-P430 HydrophobicContact CE3-CB 4.39Å; W124-P430 HydrophobicContact CZ3-CB 3.91Å; L411-P430 HydrophobicContact CD2-CG 4.21Å; P430-A434 WeakPolarHBondContact O-CB 3.22Å; P430-A434 PolarHBondContact O-N 2.77Å
431	R	98.8	Very high	97.6	Very high	138 Å²	138	30.4 Å²	30.4	52%	0.521	18%	0.176	S	C	.	.	H	α-helix	trans	-69.6	-49.5	-177.7	-174.3	-176.1	-178.4	-80.3	-8.1	112.1	E118 W124 E429 H433 A434 M435	E118-R431 IonicContact OE1-CZ 3.96Å; E118-R431 IonicContact OE1-NE 3.53Å; E118-R431 PolarHBondContact OE1-NE 2.86Å; E118-R431 IonicContact OE1-NH2 3.06Å; E118-R431 PolarHBondContact OE1-NH2 2.74Å; W124-R431 HydrophobicContact CH2-CB 3.9Å; W124-R431 HydrophobicContact CH2-CG 4.23Å; W124-R431 HydrophobicContact CZ2-CB 4.46Å; W124-R431 HydrophobicContact CZ2-CG 4.32Å; W124-R431 HydrophobicContact CZ3-CB 4.18Å; E429-R431 PolarHBondContact O-N 3.38Å; E429-R431 VanDerWaalsContact O-N 3.17Å; R431-H433 VanDerWaalsContact C-N 3.35Å; R431-A434 PolarHBondContact O-N 2.73Å; R431-M435 WeakPolarHBondContact O-CG 3.43Å; R431-M435 PolarHBondContact O-N 2.8Å; R431-M435 VanDerWaalsContact O-N 3.08Å
432	A	98.8	Very high	98.2	Very high	23 Å²	23	33.6 Å²	33.6	19%	0.19	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-45.4	-178	0	0	0	0	0	110.9	E399 E429 M435 A436	E399-A432 HydrophobicContact CB-CB 3.6Å; E429-A432 HydrophobicContact CB-CB 4.44Å; E429-A432 PolarHBondContact O-N 2.8Å; A432-M435 PolarHBondContact O-N 3.41Å; A432-A436 WeakPolarHBondContact O-CB 3.38Å; A432-A436 PolarHBondContact O-N 2.83Å
433	H	98.9	Very high	98.6	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-45.3	177.2	-165.1	83.7	0	0	0	112.2	T400 G401 Y403 L411 E429 R431 M435 A436 Q437	T400-H433 VanDerWaalsContact CG2-ND1 3.26Å; T400-H433 WeakPolarHBondContact CG2-ND1 3.4Å; G401-H433 PolarHBondContact N-ND1 3.22Å; Y403-H433 PolarHBondContact O-NE2 3.06Å; L411-H433 HydrophobicContact CD1-CB 4.46Å; L411-H433 HydrophobicContact CD2-CB 4.39Å; E429-H433 WeakPolarHBondContact O-CB 3.17Å; E429-H433 PolarHBondContact O-N 2.94Å; R431-H433 VanDerWaalsContact C-N 3.35Å; H433-M435 VanDerWaalsContact C-N 3.3Å; H433-M435 PolarHBondContact O-N 2.91Å; H433-A436 WeakPolarHBondContact O-CB 3.3Å; H433-A436 PolarHBondContact O-N 2.96Å; H433-A436 VanDerWaalsContact O-N 3.16Å; H433-Q437 PolarHBondContact CD2-OE1 3.25Å; H433-Q437 WeakPolarHBondContact O-CG 3.48Å; H433-Q437 PolarHBondContact O-N 2.96Å; H433-Q437 PolarHBondContact O-OE1 3.38Å
434	A	98.9	Very high	98.7	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-41.9	176.6	0	0	0	0	0	112.3	W124 P430 R431 Q437 V438	W124-A434 HydrophobicContact CB-CB 3.64Å; W124-A434 HydrophobicContact CD2-CB 3.87Å; W124-A434 HydrophobicContact CE3-CB 4.04Å; W124-A434 HydrophobicContact CG-CB 3.7Å; P430-A434 WeakPolarHBondContact O-CB 3.22Å; P430-A434 PolarHBondContact O-N 2.77Å; R431-A434 PolarHBondContact O-N 2.73Å; A434-Q437 PolarHBondContact O-N 3.3Å; A434-V438 WeakPolarHBondContact O-CG2 3.34Å; A434-V438 PolarHBondContact O-N 3.17Å
435	M	98.9	Very high	98.8	Very high	68 Å²	68	34 Å²	34	34%	0.335	17%	0.167	S	C	.	.	H	α-helix	trans	-70.7	-35.8	177.6	-65.2	-56.7	99.6	0	0	112.2	R431 A432 H433 V438 D439	R431-M435 WeakPolarHBondContact O-CG 3.43Å; R431-M435 PolarHBondContact O-N 2.8Å; R431-M435 VanDerWaalsContact O-N 3.08Å; A432-M435 PolarHBondContact O-N 3.41Å; H433-M435 VanDerWaalsContact C-N 3.3Å; H433-M435 PolarHBondContact O-N 2.91Å; M435-V438 HydrophobicContact CE-CG2 4.49Å; M435-V438 PolarHBondContact O-N 3.23Å; M435-D439 PolarHBondContact O-N 2.87Å
436	A	98.9	Very high	98.8	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-41.7	172.8	0	0	0	0	0	112	Y397 T400 A432 H433 V438 D439 A440	Y397-A436 HydrophobicContact CD1-CB 3.72Å; Y397-A436 HydrophobicContact CD2-CB 4.25Å; Y397-A436 HydrophobicContact CE1-CB 4.44Å; Y397-A436 HydrophobicContact CG-CB 3.6Å; T400-A436 HydrophobicContact CG2-CB 3.69Å; T400-A436 VanDerWaalsContact OG1-CB 3.23Å; T400-A436 WeakPolarHBondContact OG1-CB 3.42Å; A432-A436 WeakPolarHBondContact O-CB 3.38Å; A432-A436 PolarHBondContact O-N 2.83Å; H433-A436 WeakPolarHBondContact O-CB 3.3Å; H433-A436 PolarHBondContact O-N 2.96Å; H433-A436 VanDerWaalsContact O-N 3.16Å; A436-V438 VanDerWaalsContact C-N 3.34Å; A436-V438 PolarHBondContact O-N 3.06Å; A436-D439 PolarHBondContact O-N 2.66Å; A436-A440 WeakPolarHBondContact O-CB 3.42Å; A436-A440 PolarHBondContact O-N 2.97Å
437	Q	98.9	Very high	98.8	Very high	3 Å²	3	36 Å²	36	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-42.2	174.3	-68.8	171.3	-92.2	0	0	112.1	I404 E405 P406 F409 H433 A434 W441	I404-Q437 HydrophobicContact CG2-CG 4.11Å; E405-Q437 WeakPolarHBondContact O-CB 3.24Å; E405-Q437 VanDerWaalsContact O-CG 3.32Å; E405-Q437 WeakPolarHBondContact O-CG 3.33Å; E405-Q437 PolarHBondContact O-NE2 3.39Å; P406-Q437 PolarHBondContact O-NE2 3.4Å; P406-Q437 VanDerWaalsContact O-NE2 3.15Å; F409-Q437 PolarHBondContact O-NE2 2.92Å; F409-Q437 PolarHBondContact O-OE1 2.81Å; H433-Q437 PolarHBondContact CD2-OE1 3.25Å; H433-Q437 WeakPolarHBondContact O-CG 3.48Å; H433-Q437 PolarHBondContact O-N 2.96Å; H433-Q437 PolarHBondContact O-OE1 3.38Å; A434-Q437 PolarHBondContact O-N 3.3Å; Q437-W441 WeakPolarHBondContact O-CB 3.43Å; Q437-W441 PolarHBondContact O-N 3.04Å; Q437-W441 VanDerWaalsContact O-N 3.11Å
438	V	98.9	Very high	98.8	Very high	24 Å²	24	35.6 Å²	35.6	15%	0.145	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-45.6	176.4	172.7	0	0	0	0	111.4	P407 Y408 A434 M435 A436	P407-V438 HydrophobicContact CB-CG2 4.05Å; Y408-V438 HydrophobicContact CE1-CG2 4Å; A434-V438 WeakPolarHBondContact O-CG2 3.34Å; A434-V438 PolarHBondContact O-N 3.17Å; M435-V438 HydrophobicContact CE-CG2 4.49Å; M435-V438 PolarHBondContact O-N 3.23Å; A436-V438 VanDerWaalsContact C-N 3.34Å; A436-V438 PolarHBondContact O-N 3.06Å
439	D	98.9	Very high	98.8	Very high	55 Å²	55	36.1 Å²	36.1	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-68.5	-50.2	178.6	-172.3	71.9	0	0	0	111.6	Y397 M435 A436 W441 K442 Q443	Y397-D439 HydrophobicContact CE1-CB 3.87Å; Y397-D439 VanDerWaalsContact CE1-OD2 3.24Å; Y397-D439 WeakPolarHBondContact CE1-OD2 3.46Å; Y397-D439 PolarHBondContact OH-OD2 3.16Å; M435-D439 PolarHBondContact O-N 2.87Å; A436-D439 PolarHBondContact O-N 2.66Å; D439-W441 PolarHBondContact O-N 3.04Å; D439-W441 VanDerWaalsContact O-N 3.14Å; D439-K442 WeakPolarHBondContact O-CA 3.31Å; D439-K442 WeakPolarHBondContact O-CB 3.36Å; D439-K442 PolarHBondContact O-N 2.89Å; D439-Q443 WeakPolarHBondContact O-CG 3.44Å; D439-Q443 PolarHBondContact O-N 3.08Å; D439-Q443 WeakPolarHBondContact OD2-CG 3.33Å; D439-Q443 PolarHBondContact OD2-NE2 3.04Å
440	A	98.9	Very high	98.7	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-52.5	-39.3	179	0	0	0	0	0	112.3	L363 Y397 I404 A436 K442 Q443 L444	L363-A440 HydrophobicContact CD1-CB 3.94Å; Y397-A440 HydrophobicContact CE2-CB 4.12Å; Y397-A440 WeakPolarHBondContact OH-CA 3.2Å; Y397-A440 PolarHBondContact OH-N 2.92Å; I404-A440 HydrophobicContact CG2-CB 3.88Å; A436-A440 WeakPolarHBondContact O-CB 3.42Å; A436-A440 PolarHBondContact O-N 2.97Å; A440-K442 PolarHBondContact O-N 2.85Å; A440-Q443 PolarHBondContact O-N 2.8Å; A440-L444 WeakPolarHBondContact O-CD2 3.43Å; A440-L444 VanDerWaalsContact O-CG 3.32Å; A440-L444 WeakPolarHBondContact O-CG 3.45Å; A440-L444 PolarHBondContact O-N 2.76Å
441	W	98.9	Very high	98.7	Very high	13 Å²	13	40.7 Å²	40.7	5%	0.049	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-38.6	175.6	-167.1	-125.2	0	0	0	113.2	D58 R216 L219 L220 P406 P407 Q437 D439 L444 Q445	D58-W441 PolarHBondContact OD2-NE1 3.36Å; R216-W441 HydrophobicContact CG-CH2 4.24Å; R216-W441 HydrophobicContact CG-CZ3 3.87Å; L219-W441 HydrophobicContact CB-CH2 4.13Å; L219-W441 HydrophobicContact CB-CZ2 3.9Å; L220-W441 HydrophobicContact CB-CH2 3.71Å; L220-W441 HydrophobicContact CB-CZ2 4.31Å; L220-W441 HydrophobicContact CD1-CH2 4Å; L220-W441 HydrophobicContact CD1-CZ2 4.29Å; L220-W441 HydrophobicContact CD1-CZ3 4.43Å; L220-W441 HydrophobicContact CG-CH2 4.4Å; P406-W441 HydrophobicContact CB-CE3 4.47Å; P406-W441 HydrophobicContact CB-CZ3 4.45Å; P406-W441 HydrophobicContact CG-CZ3 4.31Å; P407-W441 VanDerWaalsContact CD-CG 3.45Å; P407-W441 HydrophobicContact CG-CB 3.56Å; P407-W441 VanDerWaalsContact CG-CD1 3.46Å; P407-W441 HydrophobicContact CG-CD2 4.39Å; P407-W441 HydrophobicContact CG-CG 3.55Å; Q437-W441 WeakPolarHBondContact O-CB 3.43Å; Q437-W441 PolarHBondContact O-N 3.04Å; Q437-W441 VanDerWaalsContact O-N 3.11Å; D439-W441 PolarHBondContact O-N 3.04Å; D439-W441 VanDerWaalsContact O-N 3.14Å; W441-L444 HydrophobicContact CE3-CD1 4.05Å; W441-L444 HydrophobicContact CE3-CD2 3.84Å; W441-L444 HydrophobicContact CE3-CG 4.3Å; W441-L444 HydrophobicContact CZ3-CD1 4.15Å; W441-L444 HydrophobicContact CZ3-CD2 4.25Å; W441-L444 WeakPolarHBondContact O-CG 3.46Å; W441-Q445 VanDerWaalsContact O-CG 3.23Å; W441-Q445 WeakPolarHBondContact O-CG 3.43Å; W441-Q445 PolarHBondContact O-N 3.05Å; W441-Q445 PolarHBondContact O-NE2 2.84Å
442	K	98.8	Very high	98.6	Very high	124 Å²	124	34.9 Å²	34.9	54%	0.539	17%	0.173	S	C	.	.	H	α-helix	trans	-70.7	-45.2	174.4	-63.9	172.2	-177.3	176.3	0	110.9	D439 A440 L444 Q445 T446	D439-K442 WeakPolarHBondContact O-CA 3.31Å; D439-K442 WeakPolarHBondContact O-CB 3.36Å; D439-K442 PolarHBondContact O-N 2.89Å; A440-K442 PolarHBondContact O-N 2.85Å; K442-L444 PolarHBondContact O-N 2.98Å; K442-Q445 PolarHBondContact O-N 2.77Å; K442-Q445 VanDerWaalsContact O-N 3.16Å; K442-T446 PolarHBondContact O-N 2.78Å; K442-T446 PolarHBondContact O-OG1 2.87Å
443	Q	98.8	Very high	97.6	Very high	57 Å²	57	35.6 Å²	35.6	27%	0.266	18%	0.182	S	C	.	.	H	α-helix	trans	-60.3	-44.3	-178	-61.3	-66.9	22.5	0	0	112.1	L361 L363 I395 D439 A440 Q445 F447	L361-Q443 HydrophobicContact CD2-CB 4.35Å; L363-Q443 HydrophobicContact CD2-CB 4.28Å; I395-Q443 HydrophobicContact CD1-CB 4.15Å; I395-Q443 HydrophobicContact CD1-CG 3.67Å; D439-Q443 WeakPolarHBondContact O-CG 3.44Å; D439-Q443 PolarHBondContact O-N 3.08Å; D439-Q443 WeakPolarHBondContact OD2-CG 3.33Å; D439-Q443 PolarHBondContact OD2-NE2 3.04Å; A440-Q443 PolarHBondContact O-N 2.8Å; Q443-Q445 VanDerWaalsContact C-N 3.34Å; Q443-Q445 PolarHBondContact O-N 3.46Å; Q443-F447 WeakPolarHBondContact O-CB 3.44Å; Q443-F447 PolarHBondContact O-N 2.83Å
444	L	98.7	Very high	95.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-34.1	178.3	68.1	84.7	0	0	0	112.5	L220 L271 V294 I296 L363 A440 W441 K442 F448	L220-L444 HydrophobicContact CD1-CD1 3.67Å; L220-L444 HydrophobicContact CD2-CD1 4.33Å; L271-L444 HydrophobicContact CD1-CD2 4.28Å; V294-L444 HydrophobicContact CG1-CB 4.05Å; V294-L444 HydrophobicContact CG2-CB 4.16Å; I296-L444 HydrophobicContact CD1-CD2 4.45Å; L363-L444 HydrophobicContact CD1-CB 4.43Å; A440-L444 WeakPolarHBondContact O-CD2 3.43Å; A440-L444 VanDerWaalsContact O-CG 3.32Å; A440-L444 WeakPolarHBondContact O-CG 3.45Å; A440-L444 PolarHBondContact O-N 2.76Å; W441-L444 HydrophobicContact CE3-CD1 4.05Å; W441-L444 HydrophobicContact CE3-CD2 3.84Å; W441-L444 HydrophobicContact CE3-CG 4.3Å; W441-L444 HydrophobicContact CZ3-CD1 4.15Å; W441-L444 HydrophobicContact CZ3-CD2 4.25Å; W441-L444 WeakPolarHBondContact O-CG 3.46Å; K442-L444 PolarHBondContact O-N 2.98Å; L444-F448 HydrophobicContact CB-CD2 4.45Å; L444-F448 HydrophobicContact CB-CE2 4.36Å; L444-F448 HydrophobicContact CD1-CD2 4.4Å; L444-F448 WeakPolarHBondContact O-CB 3.46Å; L444-F448 WeakPolarHBondContact O-CD2 3.43Å; L444-F448 WeakPolarHBondContact O-CG 3.38Å; L444-F448 PolarHBondContact O-N 3.32Å
445	Q	98.8	Very high	93.9	Very high	36 Å²	36	44.8 Å²	44.8	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-55.5	175.7	-73.5	170.3	35.5	0	0	110.4	L220 K223 W441 K442 Q443 F447 F448 H449	L220-Q445 HydrophobicContact CD1-CG 4.08Å; K223-Q445 HydrophobicContact CB-CG 4.36Å; K223-Q445 HydrophobicContact CG-CG 4.2Å; W441-Q445 VanDerWaalsContact O-CG 3.23Å; W441-Q445 WeakPolarHBondContact O-CG 3.43Å; W441-Q445 PolarHBondContact O-N 3.05Å; W441-Q445 PolarHBondContact O-NE2 2.84Å; K442-Q445 PolarHBondContact O-N 2.77Å; K442-Q445 VanDerWaalsContact O-N 3.16Å; Q443-Q445 VanDerWaalsContact C-N 3.34Å; Q443-Q445 PolarHBondContact O-N 3.46Å; Q445-F447 PolarHBondContact O-N 2.85Å; Q445-F448 PolarHBondContact O-N 2.87Å; Q445-F448 VanDerWaalsContact O-N 3.15Å; Q445-H449 PolarHBondContact O-N 3.37Å; Q445-H449 PolarHBondContact O-ND1 3.13Å; Q445-H449 VanDerWaalsContact O-ND1 3.14Å
446	T	98.4	Very high	91.8	Very high	63 Å²	63	48.2 Å²	48.2	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-56.3	-41.7	178.1	-64.1	0	0	0	0	111.2	K442 K450 E456	K442-T446 PolarHBondContact O-N 2.78Å; K442-T446 PolarHBondContact O-OG1 2.87Å; T446-K450 WeakPolarHBondContact O-CB 3.23Å; T446-K450 PolarHBondContact O-N 3.34Å; T446-E456 PolarHBondContact OG1-OE1 3.22Å
447	F	98.7	Very high	89.4	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.053	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-49.2	176.8	179.8	-96.6	0	0	0	112.5	A292 V294 T359 L361 Q443 Q445 K450 H451	A292-F447 HydrophobicContact CB-CE1 3.66Å; A292-F447 HydrophobicContact CB-CZ 4Å; V294-F447 HydrophobicContact CG2-CD1 3.35Å; V294-F447 HydrophobicContact CG2-CE1 3.7Å; V294-F447 HydrophobicContact CG2-CG 4.21Å; T359-F447 HydrophobicContact CG2-CE2 3.98Å; T359-F447 HydrophobicContact CG2-CZ 4.11Å; L361-F447 HydrophobicContact CB-CD1 4.19Å; L361-F447 HydrophobicContact CB-CD2 3.68Å; L361-F447 HydrophobicContact CB-CE1 4.13Å; L361-F447 HydrophobicContact CB-CE2 3.64Å; L361-F447 HydrophobicContact CB-CG 3.96Å; L361-F447 HydrophobicContact CB-CZ 3.87Å; L361-F447 HydrophobicContact CD2-CB 3.73Å; L361-F447 HydrophobicContact CD2-CD1 4.44Å; L361-F447 HydrophobicContact CD2-CD2 4.09Å; L361-F447 HydrophobicContact CD2-CG 3.85Å; L361-F447 HydrophobicContact CG-CD2 4.47Å; Q443-F447 WeakPolarHBondContact O-CB 3.44Å; Q443-F447 PolarHBondContact O-N 2.83Å; Q445-F447 PolarHBondContact O-N 2.85Å; F447-K450 PolarHBondContact O-N 2.87Å; F447-H451 AromaticContact CD2-CD2 3.57Å; F447-H451 AromaticContact CD2-NE2 3.91Å; F447-H451 AromaticContact CE2-CD2 3.46Å; F447-H451 VanDerWaalsContact CE2-CD2 3.46Å; F447-H451 WeakPolarHBondContact CE2-CD2 3.3Å; F447-H451 AromaticContact CE2-NE2 3.67Å; F447-H451 AromaticContact CZ-CD2 3.88Å; F447-H451 PolarHBondContact O-CD2 3.28Å; F447-H451 PolarHBondContact O-N 3.08Å
448	F	98.8	Very high	87.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-40.9	-179.3	-74.5	-52.8	0	0	0	112.9	I202 F225 L270 L271 V294 L444 Q445 K450 H451 L452	I202-F448 HydrophobicContact CD1-CB 4.09Å; I202-F448 HydrophobicContact CD1-CD1 4.17Å; I202-F448 HydrophobicContact CD1-CD2 3.64Å; I202-F448 HydrophobicContact CD1-CE2 4.03Å; I202-F448 HydrophobicContact CD1-CG 3.72Å; I202-F448 HydrophobicContact CD1-CZ 4.44Å; I202-F448 HydrophobicContact CG1-CD1 4.48Å; I202-F448 HydrophobicContact CG2-CZ 4.38Å; F225-F448 HydrophobicContact CE1-CB 3.67Å; F225-F448 HydrophobicContact CE2-CB 4.48Å; F225-F448 HydrophobicContact CZ-CB 3.61Å; L270-F448 WeakPolarHBondContact O-CZ 3.45Å; L271-F448 HydrophobicContact CB-CE2 4.08Å; L271-F448 HydrophobicContact CB-CZ 3.96Å; L271-F448 HydrophobicContact CD1-CE2 4.38Å; V294-F448 HydrophobicContact CB-CE2 4.05Å; V294-F448 HydrophobicContact CB-CZ 3.74Å; V294-F448 HydrophobicContact CG2-CD2 4.21Å; V294-F448 HydrophobicContact CG2-CE1 3.87Å; V294-F448 HydrophobicContact CG2-CE2 3.52Å; V294-F448 HydrophobicContact CG2-CZ 3.33Å; L444-F448 HydrophobicContact CB-CD2 4.45Å; L444-F448 HydrophobicContact CB-CE2 4.36Å; L444-F448 HydrophobicContact CD1-CD2 4.4Å; L444-F448 WeakPolarHBondContact O-CB 3.46Å; L444-F448 WeakPolarHBondContact O-CD2 3.43Å; L444-F448 WeakPolarHBondContact O-CG 3.38Å; L444-F448 PolarHBondContact O-N 3.32Å; Q445-F448 PolarHBondContact O-N 2.87Å; Q445-F448 VanDerWaalsContact O-N 3.15Å; F448-K450 VanDerWaalsContact C-N 3.3Å; F448-K450 PolarHBondContact O-N 3.23Å; F448-H451 PolarHBondContact O-N 3.09Å; F448-L452 HydrophobicContact CB-CD1 4.1Å; F448-L452 HydrophobicContact CD1-CD1 3.75Å; F448-L452 HydrophobicContact CD1-CG 4.28Å; F448-L452 HydrophobicContact CG-CD1 4.25Å; F448-L452 VanDerWaalsContact O-CB 3.28Å; F448-L452 WeakPolarHBondContact O-CB 3.25Å; F448-L452 WeakPolarHBondContact O-CG 3.43Å; F448-L452 PolarHBondContact O-N 2.93Å
449	H	98.2	Very high	84.8	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-45	174.8	-74.1	123.7	0	0	0	110.8	K223 F225 Q445 H451 G453 G454 H455 E456	K223-H449 PolarHBondContact O-CE1 3.36Å; K223-H449 PolarHBondContact O-NE2 3.36Å; F225-H449 AromaticContact CE1-CD2 3.75Å; F225-H449 AromaticContact CE1-NE2 3.98Å; F225-H449 AromaticContact CE2-CE1 3.53Å; F225-H449 AromaticContact CE2-NE2 3.5Å; F225-H449 WeakPolarHBondContact CE2-NE2 3.43Å; F225-H449 HydrophobicContact CZ-CB 4.42Å; F225-H449 AromaticContact CZ-CD2 3.31Å; F225-H449 WeakPolarHBondContact CZ-CD2 3.29Å; F225-H449 AromaticContact CZ-CE1 3.49Å; F225-H449 VanDerWaalsContact CZ-CE1 3.49Å; F225-H449 WeakPolarHBondContact CZ-CE1 3.37Å; F225-H449 AromaticContact CZ-CG 3.55Å; F225-H449 AromaticContact CZ-ND1 3.67Å; F225-H449 AromaticContact CZ-NE2 3.26Å; F225-H449 VanDerWaalsContact CZ-NE2 3.26Å; F225-H449 WeakPolarHBondContact CZ-NE2 3.41Å; Q445-H449 PolarHBondContact O-N 3.37Å; Q445-H449 PolarHBondContact O-ND1 3.13Å; Q445-H449 VanDerWaalsContact O-ND1 3.14Å; H449-H451 PolarHBondContact O-N 3.28Å; H449-G453 PolarHBondContact O-N 2.85Å; H449-G453 VanDerWaalsContact O-N 3.16Å; H449-G454 PolarHBondContact O-N 2.92Å; H449-H455 PolarHBondContact CD2-O 2.76Å; H449-H455 PolarHBondContact NE2-O 2.89Å; H449-E456 HydrophobicContact CB-CG 4.44Å
450	K	97.6	Very high	81.9	Confident	155 Å²	155	59.2 Å²	59.2	67%	0.674	32%	0.323	S	S	*	.	H	α-helix	trans	-59.3	-46.5	177.1	177.5	179.5	178.9	178.6	0	113.2	T446 F447 F448	T446-K450 WeakPolarHBondContact O-CB 3.23Å; T446-K450 PolarHBondContact O-N 3.34Å; F447-K450 PolarHBondContact O-N 2.87Å; F448-K450 VanDerWaalsContact C-N 3.3Å; F448-K450 PolarHBondContact O-N 3.23Å
451	H	97.9	Very high	79	Confident	56 Å²	56	63.5 Å²	63.5	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-93.7	-24.4	-169.4	-72.5	-68.2	0	0	0	114.6	T291 A292 F447 F448 H449	T291-H451 VanDerWaalsContact CG2-O 3.27Å; T291-H451 WeakPolarHBondContact CG2-O 3.22Å; A292-H451 HydrophobicContact CB-CB 3.73Å; F447-H451 AromaticContact CD2-CD2 3.57Å; F447-H451 AromaticContact CD2-NE2 3.91Å; F447-H451 AromaticContact CE2-CD2 3.46Å; F447-H451 VanDerWaalsContact CE2-CD2 3.46Å; F447-H451 WeakPolarHBondContact CE2-CD2 3.3Å; F447-H451 AromaticContact CE2-NE2 3.67Å; F447-H451 AromaticContact CZ-CD2 3.88Å; F447-H451 PolarHBondContact O-CD2 3.28Å; F447-H451 PolarHBondContact O-N 3.08Å; F448-H451 PolarHBondContact O-N 3.09Å; H449-H451 PolarHBondContact O-N 3.28Å
452	L	96.4	Very high	75.9	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-100.5	0.3	178.7	-49.6	177.9	0	0	0	112.5	P200 I202 T291 A292 F448	P200-L452 HydrophobicContact CB-CB 3.56Å; P200-L452 HydrophobicContact CB-CD1 4.22Å; P200-L452 HydrophobicContact CG-CB 4.5Å; I202-L452 HydrophobicContact CD1-CD1 4.27Å; I202-L452 HydrophobicContact CG1-CD1 3.78Å; T291-L452 HydrophobicContact CG2-CD2 3.95Å; A292-L452 HydrophobicContact CB-CD2 4.36Å; F448-L452 HydrophobicContact CB-CD1 4.1Å; F448-L452 HydrophobicContact CD1-CD1 3.75Å; F448-L452 HydrophobicContact CD1-CG 4.28Å; F448-L452 HydrophobicContact CG-CD1 4.25Å; F448-L452 VanDerWaalsContact O-CB 3.28Å; F448-L452 WeakPolarHBondContact O-CB 3.25Å; F448-L452 WeakPolarHBondContact O-CG 3.43Å; F448-L452 PolarHBondContact O-N 2.93Å
453	G	77.9	Confident	72.8	Confident	38 Å²	38	76.8 Å²	76.8	39%	0.392	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	40.8	175.8	0	0	0	0	0	113.6	K264 H449	K264-G453 PolarHBondContact NZ-O 3.11Å; H449-G453 PolarHBondContact O-N 2.85Å; H449-G453 VanDerWaalsContact O-N 3.16Å
454	G	62.5	Low	71.5	Confident	21 Å²	21	77.8 Å²	77.8	22%	0.216	44%	0.436	C	S	.	.			trans	-97.2	157.3	170	0	0	0	0	0	111.8	H449	H449-G454 PolarHBondContact O-N 2.92Å
455	H	58.9	Low	70.1	Confident	176 Å²	176	81.7 Å²	81.7	82%	0.815	46%	0.458	S	S	*	.			trans	-91.9	137.8	171.3	-66.9	-66.9	0	0	0	109.6	H449 G457	H449-H455 PolarHBondContact CD2-O 2.76Å; H449-H455 PolarHBondContact NE2-O 2.89Å; H455-G457 PolarHBondContact O-N 3.08Å; H455-G457 VanDerWaalsContact O-N 3.09Å
456	E	53.7	Low	68.5	Low	140 Å²	140	84.3 Å²	84.3	65%	0.654	47%	0.474	S	S	*	.			trans	-62.1	112.6	168.6	-76.1	-174.8	168.4	0	0	108.4	T446 H449	T446-E456 PolarHBondContact OG1-OE1 3.22Å; H449-E456 HydrophobicContact CB-CG 4.44Å
457	G	49.5	Very low	66.7	Low	44 Å²	44	85.5 Å²	85.5	45%	0.454	48%	0.48	S	S	.	.			trans	-155.9	127.3	178.1	0	0	0	0	0	110.2	H455	H455-G457 PolarHBondContact O-N 3.08Å; H455-G457 VanDerWaalsContact O-N 3.09Å
458	T	50.7	Low	64.7	Low	119 Å²	119	90.1 Å²	90.1	73%	0.73	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-75.5	131.9	162.2	40.7	0	0	0	0	107.9	P460	T458-P460 VanDerWaalsContact O-CD 3.24Å; T458-P460 WeakPolarHBondContact O-CD 3.48Å; T458-P460 VanDerWaalsContact O-N 3.14Å
459	I	50.2	Low	62.5	Low	50 Å²	50	96.1 Å²	96.1	26%	0.256	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-62.1	117.6	170	-61.7	163.9	0	0	0	106	P193 P194 G222 S461	P193-I459 HydrophobicContact CB-CD1 4.33Å; P194-I459 HydrophobicContact CG-CD1 4.1Å; P194-I459 HydrophobicContact CG-CG2 3.95Å; G222-I459 WeakPolarHBondContact O-CD1 3.41Å; I459-S461 PolarHBondContact O-N 2.95Å
460	P	37.8	Very low	59.9	Low	104 Å²	104	102.1 Å²	102.1	68%	0.675	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.5	178.2	10.9	-9.7	0	0	0	108.5	T458 K462	T458-P460 VanDerWaalsContact O-CD 3.24Å; T458-P460 WeakPolarHBondContact O-CD 3.48Å; T458-P460 VanDerWaalsContact O-N 3.14Å; P460-K462 VanDerWaalsContact C-N 3.35Å; P460-K462 PolarHBondContact O-N 3.03Å
461	S	39	Very low	57	Low	94 Å²	94	98.1 Å²	98.1	66%	0.657	57%	0.567	S	S	*	*			trans	-56.9	102.7	162.1	21.5	0	0	0	0	106.9	I459 V463	I459-S461 PolarHBondContact O-N 2.95Å; S461-V463 PolarHBondContact O-N 3.08Å; S461-V463 VanDerWaalsContact O-N 3.16Å
462	K	33.1	Very low	53.6	Low	203 Å²	203	101.6 Å²	101.6	88%	0.883	59%	0.593	S	S	*	*			trans	-57.6	123.6	167.1	-77.9	-173.8	177	178.8	0	106.8	P460	P460-K462 VanDerWaalsContact C-N 3.35Å; P460-K462 PolarHBondContact O-N 3.03Å
463	V	33.5	Very low	49.7	Very low	213 Å²	213	109.3 Å²	109.3	100%	1.291	64%	0.639	S	S	*	*			trans	-50.6	0	179.9	179.9	0	0	0	0	111.6	S461	S461-V463 PolarHBondContact O-N 3.08Å; S461-V463 VanDerWaalsContact O-N 3.16Å

Retrieved 463 of 463 residues in 265.9 ms (Link to these results)

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