A0A096MT22_PAPAN Loading...

Oxidoreductase NAD-binding domain-containing protein 1

AlphaFold DB (A0A2I3MMU6), UniProt , Accession A0A096MT22, Species PAPAN (Papio anubis, Olive baboon), Gene OXNAD1, Length 312 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	33.2	Very low	246 Å²	246	131.4 Å²	131.4	100%	1.212	83%	0.828	S	S	*	*				0	130	0	-60.6	-173.6	-81.9	0	0	107.3
2	A	32.1	Very low	33	Very low	92 Å²	92	132.9 Å²	132.9	76%	0.76	82%	0.824	S	S	*	*			cis	-153.3	131.2	-15.8	0	0	0	0	0	105.7
3	C	25.4	Very low	32.7	Very low	134 Å²	134	139.7 Å²	139.7	91%	0.905	83%	0.825	S	S	*	*				54.4	106.2	89.6	-85	0	0	0	0	117.3
4	A	32.8	Very low	32.3	Very low	98 Å²	98	137.1 Å²	137.1	81%	0.81	82%	0.816	S	S	*	*			trans	167.3	122.5	143	0	0	0	0	0	108.1
5	A	33.5	Very low	32.3	Very low	94 Å²	94	134.4 Å²	134.4	78%	0.777	81%	0.807	S	S	*	*			cis	79.9	91.9	8.5	0	0	0	0	0	118.1
6	V	32.1	Very low	32.2	Very low	148 Å²	148	134.9 Å²	134.9	90%	0.897	81%	0.81	S	S	*	*			trans	-152.3	163.7	156.7	-175.6	0	0	0	0	109
7	M	29.4	Very low	32	Very low	143 Å²	143	130.9 Å²	130.9	70%	0.704	80%	0.804	S	S	*	*				-171.4	80	-95.7	-88	-68.2	-69.2	0	0	113.2
8	I	35.2	Very low	32	Very low	151 Å²	151	129.1 Å²	129.1	77%	0.774	80%	0.804	S	S	*	*			trans	59.2	-171.3	158.6	5.9	-179.9	0	0	0	115.6
9	P	46.8	Very low	32	Very low	120 Å²	120	131.7 Å²	131.7	78%	0.779	81%	0.81	S	S	*	*			cis	-138.7	176	9.5	43	-23.5	0	0	0	119.7
10	G	29.2	Very low	31.8	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	81%	0.812	S	S	*	*			trans	142.9	96.7	161.5	0	0	0	0	0	112.5
11	L	32.1	Very low	31.8	Very low	152 Å²	152	135.8 Å²	135.8	80%	0.796	81%	0.809	S	S	*	*				58	130.8	58.7	-63.1	169.2	0	0	0	112.5
12	L	30.8	Very low	31.6	Very low	150 Å²	150	133.2 Å²	133.2	79%	0.785	79%	0.794	S	S	*	*			cis	-136	153.2	25.8	-85.3	93.2	0	0	0	112.1
13	R	29.8	Very low	31.8	Very low	221 Å²	221	133.8 Å²	133.8	83%	0.834	80%	0.799	S	S	*	*				44.8	139.7	87.2	-73.8	-174	174.5	-174.2	-1.8	115
14	C	26.9	Very low	32.2	Very low	103 Å²	103	132.1 Å²	132.1	70%	0.696	80%	0.795	S	S	*	*			cis	-162.2	162.5	7.4	-123.5	0	0	0	0	113.8
15	S	32.2	Very low	32.3	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	80%	0.796	S	S	*	*			trans	-29.8	164.5	158.8	50.4	0	0	0	0	119.1
16	V	31	Very low	32.2	Very low	142 Å²	142	136.8 Å²	136.8	86%	0.861	80%	0.802	S	S	*	*				-168.6	154.9	59	171.3	0	0	0	0	112.5
17	G	28.3	Very low	32.1	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	80%	0.8	S	S	*	*			trans	117.3	102.9	152.6	0	0	0	0	0	115.1
18	A	32.5	Very low	32.2	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	81%	0.81	S	S	*	*			cis	79	112.6	43.6	0	0	0	0	0	115.5
19	I	32.3	Very low	32.2	Very low	178 Å²	178	141.2 Å²	141.2	91%	0.913	81%	0.811	S	S	*	*			trans	-161.5	155.8	148	-98.8	150.2	0	0	0	109.6
20	R	28.1	Very low	31.6	Very low	226 Å²	226	143.5 Å²	143.5	85%	0.853	82%	0.816	S	S	*	*			trans	-74.7	167.1	-170.2	-56.1	169.8	169.7	168.6	-6.1	112.5
21	T	31	Very low	31.8	Very low	123 Å²	123	145.4 Å²	145.4	76%	0.755	82%	0.819	S	S	*	*				-156.4	128.5	71.6	35.7	0	0	0	0	112.4
22	E	32.4	Very low	32	Very low	192 Å²	192	145 Å²	145	90%	0.897	82%	0.823	S	S	*	*				81.1	140.9	105.6	-68.9	-161.9	150.7	0	0	116.6
23	A	35.8	Very low	32.3	Very low	105 Å²	105	145.1 Å²	145.1	87%	0.868	82%	0.824	S	S	*	*			trans	-115.4	146.8	-172.4	0	0	0	0	0	111.2
24	A	34	Very low	32.4	Very low	98 Å²	98	146.2 Å²	146.2	81%	0.81	83%	0.828	S	S	*	*			trans	-136.1	108.6	165.1	0	0	0	0	0	109.6
25	S	34.9	Very low	32.8	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	83%	0.833	S	S	*	*			trans	-82.8	126.5	168.3	52.7	0	0	0	0	109.4
26	L	31.1	Very low	32.8	Very low	169 Å²	169	153 Å²	153	89%	0.885	84%	0.843	S	S	*	*			trans	-138.4	150	171.7	-106.5	156.8	0	0	0	111
27	R	30.9	Very low	32.9	Very low	230 Å²	230	152 Å²	152	87%	0.868	84%	0.837	S	S	*	*			trans	-85.5	151.9	-154	-63.2	173.5	174.2	-170.8	-3.3	112.7	T29	R27-T29 PolarHBondContact O-N 3.47Å
28	L	31.1	Very low	33.1	Very low	173 Å²	173	156.9 Å²	156.9	91%	0.906	85%	0.847	S	S	*	*			trans	-58.3	128.2	161.6	-86.2	146	0	0	0	110.8
29	T	34.8	Very low	33.1	Very low	132 Å²	132	158 Å²	158	81%	0.81	84%	0.844	S	S	*	*			trans	-129	132.1	157.9	45.3	0	0	0	0	109.4	R27	R27-T29 PolarHBondContact O-N 3.47Å
30	L	35.3	Very low	33.3	Very low	168 Å²	168	154.4 Å²	154.4	88%	0.88	83%	0.834	S	S	*	*			trans	-74.2	131.2	178	-129.1	79.8	0	0	0	109.8
31	S	33.6	Very low	33.8	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	83%	0.83	S	S	*	*			trans	144.9	117.9	135.6	60.4	0	0	0	0	113.2
32	T	34.6	Very low	34.1	Very low	143 Å²	143	152.9 Å²	152.9	88%	0.877	83%	0.833	S	S	*	*			trans	-175.2	128.7	130.7	17.8	0	0	0	0	108.7
33	L	37.4	Very low	34.2	Very low	154 Å²	154	153 Å²	153	81%	0.806	83%	0.831	S	S	*	*			trans	-64.2	134.8	173.8	-81.9	70	0	0	0	109.9
34	R	33.2	Very low	34.5	Very low	243 Å²	243	153.1 Å²	153.1	92%	0.917	83%	0.825	S	S	*	*			trans	-134.4	126	141	-78	-161.7	168.9	-168.7	-3.5	110.5	L36	R34-L36 PolarHBondContact O-N 3.07Å
35	H	34.8	Very low	35.1	Very low	172 Å²	172	157.9 Å²	157.9	80%	0.796	83%	0.828	S	S	*	*			trans	-60.1	119.1	173.9	-75	-94.2	0	0	0	110.2
36	L	32.1	Very low	35.8	Very low	170 Å²	170	161.3 Å²	161.3	89%	0.89	82%	0.822	S	S	*	*			trans	-108	112.8	150.3	-88.5	159.1	0	0	0	107	R34 L38	R34-L36 PolarHBondContact O-N 3.07Å; L36-L38 PolarHBondContact O-N 2.84Å
37	T	32	Very low	37.1	Very low	121 Å²	121	160.3 Å²	160.3	74%	0.742	81%	0.811	S	S	*	*			trans	-62.7	115.6	-179.5	30.3	0	0	0	0	109.7	T39	T37-T39 VanDerWaalsContact C-N 3.32Å; T37-T39 PolarHBondContact O-N 3.07Å
38	L	32.6	Very low	38.7	Very low	172 Å²	172	152.5 Å²	152.5	90%	0.901	79%	0.789	S	S	*	*			trans	-58.6	99.7	160.5	-87.5	158.7	0	0	0	107.7	L36 S40	L36-L38 PolarHBondContact O-N 2.84Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.27Å
39	T	33.5	Very low	41.1	Very low	122 Å²	122	145.8 Å²	145.8	75%	0.748	75%	0.754	S	S	*	*			trans	-62.1	97.6	164.6	31.3	0	0	0	0	107.2	T37 I41	T37-T39 VanDerWaalsContact C-N 3.32Å; T37-T39 PolarHBondContact O-N 3.07Å; T39-I41 VanDerWaalsContact C-N 3.32Å; T39-I41 PolarHBondContact O-N 3.08Å
40	S	35.7	Very low	43.5	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	72%	0.716	S	S	*	*			trans	-57	98.8	172	-177.4	0	0	0	0	108	L38 M42	L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.27Å; S40-M42 PolarHBondContact O-N 2.94Å
41	I	39.4	Very low	45.9	Very low	150 Å²	150	134 Å²	134	77%	0.769	69%	0.686	S	S	*	*			trans	-64.4	96.1	166.4	-63.5	176.7	0	0	0	104.7	T39 K43	T39-I41 VanDerWaalsContact C-N 3.32Å; T39-I41 PolarHBondContact O-N 3.08Å; I41-K43 VanDerWaalsContact C-N 3.26Å; I41-K43 PolarHBondContact O-N 3.49Å
42	M	36.7	Very low	48.2	Very low	167 Å²	167	133.4 Å²	133.4	82%	0.823	67%	0.671	S	S	*	*			trans	-56.6	97	170.6	-72.6	174.9	63	0	0	107	S40 S44	S40-M42 PolarHBondContact O-N 2.94Å; M42-S44 PolarHBondContact O-N 3Å
43	K	35.6	Very low	50.4	Low	193 Å²	193	129.6 Å²	129.6	84%	0.839	64%	0.64	S	S	*	*			trans	-62	89.6	163.6	-77.1	-175.1	177.1	179.4	0	106.2	I41 K45	I41-K43 VanDerWaalsContact C-N 3.26Å; I41-K43 PolarHBondContact O-N 3.49Å; K43-K45 PolarHBondContact O-N 3.43Å
44	S	41.4	Very low	52.6	Low	108 Å²	108	122.6 Å²	122.6	76%	0.755	60%	0.604	S	S	*	*			trans	-43.8	119.3	157.9	177.9	0	0	0	0	105.8	M42 R46	M42-S44 PolarHBondContact O-N 3Å; S44-R46 PolarHBondContact O-N 2.72Å
45	K	45.4	Very low	55	Low	199 Å²	199	114.7 Å²	114.7	87%	0.865	59%	0.591	S	S	*	*			trans	-62	95.6	174.8	-79.9	-175.6	175	-179	0	105.7	K43 K47	K43-K45 PolarHBondContact O-N 3.43Å; K45-K47 PolarHBondContact O-N 3.35Å
46	R	51.3	Low	57.3	Low	193 Å²	193	112 Å²	112	73%	0.728	59%	0.591	S	S	*	*			trans	-49.4	111.6	173.9	177.4	175.2	171.2	176.2	-7.2	105.5	S44 T48 E52	S44-R46 PolarHBondContact O-N 2.72Å; R46-T48 PolarHBondContact O-N 3.01Å; R46-E52 IonicContact NH2-OE1 3.71Å
47	K	58.1	Low	59.9	Low	148 Å²	148	105.7 Å²	105.7	64%	0.643	56%	0.56	S	S	*	*			trans	-58.5	114.8	169.5	-78.5	-162.6	170.7	-148.5	0	104.8	K45 W312	K45-K47 PolarHBondContact O-N 3.35Å; K47-W312 PolarHBondContact NZ-OXT 3.45Å
48	T	64.4	Low	62.5	Low	66 Å²	66	104.2 Å²	104.2	41%	0.405	55%	0.55	S	S	.	*			trans	-60	148.4	-178.8	32.7	0	0	0	0	109.5	R46 E52 R53	R46-T48 PolarHBondContact O-N 3.01Å; T48-E52 WeakPolarHBondContact CA-OE2 3.44Å; T48-E52 VanDerWaalsContact CB-OE2 3.26Å; T48-E52 WeakPolarHBondContact CB-OE2 3.39Å; T48-E52 WeakPolarHBondContact CG2-OE2 3.48Å; T48-R53 VanDerWaalsContact O-CD 3.23Å; T48-R53 WeakPolarHBondContact O-CD 3.45Å; T48-R53 PolarHBondContact O-NE 3Å; T48-R53 PolarHBondContact O-NH1 2.73Å; T48-R53 WeakPolarHBondContact OG1-CD 3.36Å; T48-R53 WeakPolarHBondContact OG1-CG 3.37Å; T48-R53 PolarHBondContact OG1-NE 2.69Å
49	D	81.8	Confident	65.3	Low	32 Å²	32	98.7 Å²	98.7	17%	0.171	52%	0.517	C	S	.	.			trans	-65.9	159.8	-176.9	-178.6	48.9	0	0	0	111.6	M51 E52 R53 V107	D49-M51 VanDerWaalsContact C-N 3.26Å; D49-M51 PolarHBondContact O-N 3.37Å; D49-M51 VanDerWaalsContact OD2-CB 3.24Å; D49-M51 WeakPolarHBondContact OD2-CB 3.49Å; D49-M51 WeakPolarHBondContact OD2-CG 3.42Å; D49-M51 PolarHBondContact OD2-N 2.93Å; D49-E52 HydrophobicContact CB-CB 4.29Å; D49-E52 HydrophobicContact CB-CG 3.98Å; D49-E52 PolarHBondContact N-OE2 3.22Å; D49-E52 PolarHBondContact O-N 3.44Å; D49-R53 WeakPolarHBondContact O-CB 3.42Å; D49-R53 WeakPolarHBondContact O-CD 3.25Å; D49-R53 VanDerWaalsContact O-CG 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.47Å; D49-R53 PolarHBondContact O-N 3.01Å; D49-V107 WeakPolarHBondContact OD1-CG1 3.09Å
50	H	84	Confident	68	Low	5 Å²	5	96.9 Å²	96.9	2%	0.023	50%	0.497	C	S	.	.	H	α-helix	trans	-55.5	-42.4	171.6	174.2	49.7	0	0	0	111.5	R53 T54 W97 D99 V108 G109 G110	H50-R53 PolarHBondContact O-N 3.43Å; H50-T54 PolarHBondContact O-N 3.4Å; H50-T54 PolarHBondContact O-OG1 2.99Å; H50-W97 AromaticContact CE1-CE3 3.76Å; H50-W97 AromaticContact CE1-CH2 3.64Å; H50-W97 AromaticContact CE1-CZ3 3.5Å; H50-W97 VanDerWaalsContact CE1-CZ3 3.5Å; H50-W97 WeakPolarHBondContact CE1-CZ3 3.32Å; H50-W97 AromaticContact NE2-CE3 3.63Å; H50-W97 AromaticContact NE2-CH2 3.54Å; H50-W97 AromaticContact NE2-CZ3 3.12Å; H50-W97 WeakPolarHBondContact NE2-CZ3 3.36Å; H50-D99 IonicContact CD2-OD1 2.61Å; H50-D99 IonicContact NE2-OD1 3.57Å; H50-D99 PolarHBondContact NE2-OD1 2.96Å; H50-V108 WeakPolarHBondContact CB-O 3.4Å; H50-G109 PolarHBondContact CD2-O 2.92Å; H50-G110 VanDerWaalsContact CD2-CA 3.43Å; H50-G110 WeakPolarHBondContact CD2-CA 3.36Å; H50-G110 WeakPolarHBondContact NE2-CA 3.38Å
51	M	85.9	Confident	70.5	Confident	48 Å²	48	101 Å²	101	24%	0.236	51%	0.505	C	S	.	.	H	α-helix	trans	-61.7	-47.7	175.4	-62.8	-56.8	87.7	0	0	111.5	D49 R53 T54 A55 D99 V108	D49-M51 VanDerWaalsContact C-N 3.26Å; D49-M51 PolarHBondContact O-N 3.37Å; D49-M51 VanDerWaalsContact OD2-CB 3.24Å; D49-M51 WeakPolarHBondContact OD2-CB 3.49Å; D49-M51 WeakPolarHBondContact OD2-CG 3.42Å; D49-M51 PolarHBondContact OD2-N 2.93Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 3.42Å; M51-T54 CarbonylContact O-C 3.58Å; M51-T54 PolarHBondContact O-N 3.28Å; M51-A55 WeakPolarHBondContact O-CA 3.38Å; M51-A55 WeakPolarHBondContact O-CB 3.13Å; M51-A55 PolarHBondContact O-N 2.91Å; M51-D99 HydrophobicContact CE-CB 4.42Å; M51-D99 WeakPolarHBondContact CE-OD1 3.44Å; M51-V108 HydrophobicContact CE-CB 3.72Å; M51-V108 HydrophobicContact CE-CG1 3.57Å; M51-V108 HydrophobicContact CE-CG2 4.41Å; M51-V108 HydrophobicContact CG-CB 4.2Å; M51-V108 HydrophobicContact CG-CG2 4.12Å; M51-V108 HydrophobicContact SD-CB 4.2Å; M51-V108 HydrophobicContact SD-CG1 4.24Å; M51-V108 HydrophobicContact SD-CG2 4.24Å
52	E	82.7	Confident	73	Confident	94 Å²	94	96.2 Å²	96.2	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-60.2	-42.4	-179.5	-68.2	171.7	172.1	0	0	111.6	R46 T48 D49	R46-E52 IonicContact NH2-OE1 3.71Å; T48-E52 WeakPolarHBondContact CA-OE2 3.44Å; T48-E52 VanDerWaalsContact CB-OE2 3.26Å; T48-E52 WeakPolarHBondContact CB-OE2 3.39Å; T48-E52 WeakPolarHBondContact CG2-OE2 3.48Å; D49-E52 HydrophobicContact CB-CB 4.29Å; D49-E52 HydrophobicContact CB-CG 3.98Å; D49-E52 PolarHBondContact N-OE2 3.22Å; D49-E52 PolarHBondContact O-N 3.44Å
53	R	80.3	Confident	75.9	Confident	63 Å²	63	91.7 Å²	91.7	24%	0.238	46%	0.462	C	S	.	.	H	α-helix	trans	-78.5	-24.1	-175.5	-67.6	167.7	163.3	170.8	-37	113.9	T48 D49 H50 M51 W312	T48-R53 VanDerWaalsContact O-CD 3.23Å; T48-R53 WeakPolarHBondContact O-CD 3.45Å; T48-R53 PolarHBondContact O-NE 3Å; T48-R53 PolarHBondContact O-NH1 2.73Å; T48-R53 WeakPolarHBondContact OG1-CD 3.36Å; T48-R53 WeakPolarHBondContact OG1-CG 3.37Å; T48-R53 PolarHBondContact OG1-NE 2.69Å; D49-R53 WeakPolarHBondContact O-CB 3.42Å; D49-R53 WeakPolarHBondContact O-CD 3.25Å; D49-R53 VanDerWaalsContact O-CG 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.47Å; D49-R53 PolarHBondContact O-N 3.01Å; H50-R53 PolarHBondContact O-N 3.43Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 3.42Å; R53-W312 HydrophobicContact CB-CH2 3.7Å; R53-W312 HydrophobicContact CB-CZ2 3.42Å; R53-W312 VanDerWaalsContact CB-CZ2 3.42Å; R53-W312 HydrophobicContact CB-CZ3 4.38Å; R53-W312 VanDerWaalsContact CD-NE1 3.27Å; R53-W312 HydrophobicContact CG-CZ2 4.29Å
54	T	83.9	Confident	78.9	Confident	6 Å²	6	82.6 Å²	82.6	4%	0.037	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	18.6	177.7	60.3	0	0	0	0	112.5	H50 M51 S56 V57 R59 W97 W312	H50-T54 PolarHBondContact O-N 3.4Å; H50-T54 PolarHBondContact O-OG1 2.99Å; M51-T54 CarbonylContact O-C 3.58Å; M51-T54 PolarHBondContact O-N 3.28Å; T54-S56 PolarHBondContact O-N 2.78Å; T54-V57 HydrophobicContact CG2-CG2 4.39Å; T54-V57 WeakPolarHBondContact O-CB 3.22Å; T54-V57 PolarHBondContact O-N 2.96Å; T54-R59 PolarHBondContact O-NH1 2.62Å; T54-R59 PolarHBondContact OG1-NH2 3.01Å; T54-W97 HydrophobicContact CG2-CZ2 4.17Å; T54-W312 HydrophobicContact CG2-CH2 3.8Å; T54-W312 HydrophobicContact CG2-CZ2 3.86Å
55	A	82.8	Confident	81.6	Confident	78 Å²	78	80.4 Å²	80.4	65%	0.645	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.7	-175	0	0	0	0	0	113.7	M51	M51-A55 WeakPolarHBondContact O-CA 3.38Å; M51-A55 WeakPolarHBondContact O-CB 3.13Å; M51-A55 PolarHBondContact O-N 2.91Å
56	S	83.8	Confident	84.1	Confident	115 Å²	115	71.3 Å²	71.3	80%	0.804	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	0.2	176.4	62.8	0	0	0	0	114.3	T54	T54-S56 PolarHBondContact O-N 2.78Å
57	V	86	Confident	86.4	Confident	37 Å²	37	65.6 Å²	65.6	22%	0.224	35%	0.354	C	S	.	.	S	Bend	trans	-92.9	130.7	-175.3	-177.1	0	0	0	0	109.9	T54 R59 W97	T54-V57 HydrophobicContact CG2-CG2 4.39Å; T54-V57 WeakPolarHBondContact O-CB 3.22Å; T54-V57 PolarHBondContact O-N 2.96Å; V57-R59 PolarHBondContact O-NH1 3.23Å; V57-W97 HydrophobicContact CG1-CZ2 4.21Å
58	V	86.9	Confident	88.3	Confident	91 Å²	91	58.6 Å²	58.6	55%	0.552	32%	0.323	S	S	*	.			trans	-58	138.2	177.8	-177.2	0	0	0	0	110.8	G157 E158	V58-G157 PolarHBondContact O-N 3.38Å; V58-E158 HydrophobicContact CB-CG 4.49Å
59	R	91.4	Very high	89.9	Confident	55 Å²	55	58 Å²	58	21%	0.208	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-126.5	151.6	176	-73.6	167.4	166.5	78.2	-0.8	109.4	T54 V57 D99 V155	T54-R59 PolarHBondContact O-NH1 2.62Å; T54-R59 PolarHBondContact OG1-NH2 3.01Å; V57-R59 PolarHBondContact O-NH1 3.23Å; R59-D99 WeakPolarHBondContact CD-OD2 3.22Å; R59-D99 IonicContact CZ-OD1 2.68Å; R59-D99 IonicContact CZ-OD2 3.62Å; R59-D99 IonicContact NE-OD1 3.48Å; R59-D99 PolarHBondContact NE-OD1 3.2Å; R59-D99 IonicContact NE-OD2 2.86Å; R59-D99 PolarHBondContact NE-OD2 3.48Å; R59-D99 IonicContact NH2-OD1 3.67Å; R59-D99 PolarHBondContact NH2-OD1 2.69Å; R59-D99 IonicContact NH2-OD2 4Å; R59-V155 WeakPolarHBondContact CA-O 3.48Å
60	R	89.4	Confident	90.7	Very high	84 Å²	84	57.5 Å²	57.5	32%	0.317	32%	0.323	S	S	.	.			trans	-73.1	147.5	163.9	-63	-170.7	178.2	-135.4	15.8	109.2	I62 S91 R154 V155	R60-I62 VanDerWaalsContact C-N 3.32Å; R60-S91 WeakPolarHBondContact CD-O 3.23Å; R60-S91 PolarHBondContact NE-O 2.96Å; R60-S91 PolarHBondContact NH1-O 3.25Å; R60-S91 PolarHBondContact NH1-OG 3.09Å; R60-S91 PolarHBondContact NH2-O 3.39Å; R60-R154 WeakPolarHBondContact O-CD 3.38Å; R60-R154 VanDerWaalsContact O-CG 3.22Å; R60-R154 WeakPolarHBondContact O-CG 3.5Å; R60-V155 HydrophobicContact CB-CB 4.41Å; R60-V155 HydrophobicContact CG-CB 4.15Å; R60-V155 PolarHBondContact N-O 2.86Å
61	E	88.7	Confident	91.3	Very high	189 Å²	189	59.6 Å²	59.6	88%	0.883	34%	0.342	S	S	*	.	S	Bend	trans	-69.5	-32.9	-179	-60.4	-175.7	161	0	0	112.1	V63	E61-V63 PolarHBondContact O-N 3.44Å
62	I	93.1	Very high	91.9	Very high	49 Å²	49	60 Å²	60	25%	0.251	35%	0.352	S	S	.	.			trans	-62.9	119.9	-177.9	-58.2	172.2	0	0	0	111.1	R60 D87 D89 F90 R154	R60-I62 VanDerWaalsContact C-N 3.32Å; I62-D87 HydrophobicContact CG2-CB 4.32Å; I62-D89 HydrophobicContact CD1-CB 3.66Å; I62-F90 HydrophobicContact CG2-CB 4.36Å; I62-F90 HydrophobicContact CG2-CD2 4.28Å; I62-R154 WeakPolarHBondContact O-CG 3.23Å
63	V	96.8	Very high	92.6	Very high	72 Å²	72	60.5 Å²	60.5	44%	0.436	37%	0.366	S	S	.	.			trans	-105.7	107.1	164.6	-178.7	0	0	0	0	107.2	E61 F101 A152 R154	E61-V63 PolarHBondContact O-N 3.44Å; V63-F101 HydrophobicContact CG1-CD2 4.42Å; V63-F101 HydrophobicContact CG1-CE2 4.34Å; V63-A152 HydrophobicContact CG1-CB 3.99Å; V63-R154 HydrophobicContact CG2-CB 4.11Å; V63-R154 HydrophobicContact CG2-CG 4.4Å
64	S	98.2	Very high	93.4	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.9	178.7	-176.8	0	0	0	0	111	V85 A86 D87 A152 V153	S64-V85 VanDerWaalsContact OG-CG1 3.22Å; S64-V85 WeakPolarHBondContact OG-CG1 3.35Å; S64-A86 PolarHBondContact OG-N 2.78Å; S64-D87 WeakPolarHBondContact OG-CB 3.41Å; S64-D87 PolarHBondContact OG-N 3.01Å; S64-A152 CarbonylContact O-C 3.47Å; S64-A152 WeakPolarHBondContact O-CA 3.46Å; S64-A152 WeakPolarHBondContact O-CB 3.49Å; S64-V153 PolarHBondContact N-O 3.28Å; S64-V153 PolarHBondContact O-N 2.64Å
65	A	98.5	Very high	94	Very high	63 Å²	63	60.3 Å²	60.3	52%	0.521	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	146.8	157.3	0	0	0	0	0	110.1	A86	A65-A86 HydrophobicContact CB-CB 4.38Å; A65-A86 PolarHBondContact O-N 2.89Å
66	A	98.7	Very high	94.7	Very high	7 Å²	7	61.9 Å²	61.9	6%	0.058	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.5	174	0	0	0	0	0	111.9	L83 L84 V85 V151 V153	A66-L83 HydrophobicContact CB-CB 4.45Å; A66-L84 CarbonylContact C-O 3.54Å; A66-L84 WeakPolarHBondContact CA-O 3.5Å; A66-L84 WeakPolarHBondContact CB-O 3.38Å; A66-V85 HydrophobicContact CB-CG2 4.45Å; A66-V151 HydrophobicContact CB-CG2 4.18Å; A66-V151 PolarHBondContact N-O 3.29Å; A66-V151 WeakPolarHBondContact O-CG2 3.45Å; A66-V151 PolarHBondContact O-N 3.48Å; A66-V153 HydrophobicContact CB-CG2 4.01Å
67	K	98.6	Very high	95.3	Very high	74 Å²	74	57.2 Å²	57.2	32%	0.322	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	-176.9	-153.1	-171.8	-157.7	-160.7	0	111.4	C69 L83 L84 D148	K67-C69 PolarHBondContact O-N 2.94Å; K67-L83 CarbonylContact O-C 3.6Å; K67-L83 VanDerWaalsContact O-CA 3.31Å; K67-L83 WeakPolarHBondContact O-CA 3.44Å; K67-L84 PolarHBondContact N-O 3.15Å; K67-L84 PolarHBondContact O-N 2.91Å; K67-D148 HydrophobicContact CD-CB 4.5Å; K67-D148 WeakPolarHBondContact CE-O 3.45Å; K67-D148 VanDerWaalsContact CE-OD1 3.24Å; K67-D148 WeakPolarHBondContact CE-OD1 3.22Å; K67-D148 IonicContact NZ-OD1 3.59Å; K67-D148 PolarHBondContact NZ-OD1 2.87Å
68	V	98.7	Very high	95.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.2	175.8	-179.7	0	0	0	0	109.9	L81 L83 T146 D148 S149	V68-L81 HydrophobicContact CG1-CD2 4.22Å; V68-L83 HydrophobicContact CB-CD2 4.35Å; V68-L83 HydrophobicContact CG2-CD2 3.66Å; V68-T146 WeakPolarHBondContact CB-O 3.34Å; V68-T146 WeakPolarHBondContact CG1-O 3.43Å; V68-D148 PolarHBondContact O-N 2.7Å; V68-S149 WeakPolarHBondContact CG2-O 3.39Å; V68-S149 PolarHBondContact N-O 3.04Å
69	C	97.9	Very high	96.5	Very high	54 Å²	54	52.9 Å²	52.9	37%	0.365	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-5.2	-179	-63.1	0	0	0	0	113.2	K67 R82 L84 M125	K67-C69 PolarHBondContact O-N 2.94Å; C69-R82 PolarHBondContact N-O 3.44Å; C69-L84 VanDerWaalsContact SG-CB 3.56Å; C69-M125 HydrophobicContact CB-CE 3.56Å
70	G	98.1	Very high	96.8	Very high	21 Å²	21	51.3 Å²	51.3	22%	0.216	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	145.4	172.9	0	0	0	0	0	111.2	L81 R82	G70-L81 CarbonylContact O-C 3.48Å; G70-L81 WeakPolarHBondContact O-CA 3.44Å; G70-R82 PolarHBondContact N-O 3.18Å; G70-R82 PolarHBondContact O-N 3.1Å
71	A	97.4	Very high	97.3	Very high	50 Å²	50	47.5 Å²	47.5	41%	0.413	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	135.7	173.2	0	0	0	0	0	110.2	K79 S80 L81	A71-K79 HydrophobicContact CB-CD 4.47Å; A71-S80 VanDerWaalsContact CA-O 3.29Å; A71-S80 WeakPolarHBondContact CA-O 3.3Å; A71-L81 HydrophobicContact CB-CD2 3.78Å
72	A	97.3	Very high	97.8	Very high	55 Å²	55	42 Å²	42	46%	0.455	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.8	179.5	0	0	0	0	0	111.8	E74 K79 S80	A72-E74 PolarHBondContact O-N 2.93Å; A72-K79 CarbonylContact O-C 3.5Å; A72-K79 VanDerWaalsContact O-CA 3.3Å; A72-K79 WeakPolarHBondContact O-CA 3.2Å; A72-K79 VanDerWaalsContact O-CG 3.23Å; A72-K79 WeakPolarHBondContact O-CG 3.47Å; A72-S80 PolarHBondContact N-O 2.74Å; A72-S80 PolarHBondContact O-N 3.24Å; A72-S80 PolarHBondContact O-OG 2.93Å
73	S	97.6	Very high	98	Very high	105 Å²	105	39.7 Å²	39.7	73%	0.734	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	111.2	170	-61.1	0	0	0	0	109.6
74	E	96.8	Very high	98.1	Very high	55 Å²	55	39.8 Å²	39.8	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-30.9	176.8	-169.3	63.3	-140	0	0	111.1	A72 V78 L223 F224	A72-E74 PolarHBondContact O-N 2.93Å; E74-V78 HydrophobicContact CB-CG1 4.31Å; E74-V78 PolarHBondContact N-O 2.79Å; E74-L223 HydrophobicContact CB-CD2 4.27Å; E74-L223 HydrophobicContact CG-CB 3.86Å; E74-L223 HydrophobicContact CG-CD2 3.81Å; E74-L223 HydrophobicContact CG-CG 4.27Å; E74-F224 HydrophobicContact CG-CD1 4.13Å; E74-F224 HydrophobicContact CG-CE1 4.03Å; E74-F224 HydrophobicContact CG-CZ 4.37Å; E74-F224 VanDerWaalsContact OE1-CA 3.29Å; E74-F224 WeakPolarHBondContact OE1-CA 3.47Å; E74-F224 WeakPolarHBondContact OE1-CD1 3.49Å; E74-F224 PolarHBondContact OE1-N 3.44Å
75	S	97.4	Very high	98.1	Very high	11 Å²	11	39.7 Å²	39.7	8%	0.077	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	173.1	168.7	87.8	0	0	0	0	110.8	S77 V78 S220 E221	S75-S77 PolarHBondContact O-N 3.26Å; S75-S77 PolarHBondContact OG-N 3.06Å; S75-V78 PolarHBondContact N-O 2.68Å; S75-V78 VanDerWaalsContact N-O 3.1Å; S75-V78 PolarHBondContact O-N 3.03Å; S75-V78 WeakPolarHBondContact OG-CB 3.43Å; S75-V78 WeakPolarHBondContact OG-CG2 3.14Å; S75-V78 PolarHBondContact OG-N 2.9Å; S75-S220 VanDerWaalsContact CB-O 3.27Å; S75-S220 WeakPolarHBondContact CB-O 3.41Å; S75-E221 WeakPolarHBondContact CB-OE2 3.38Å; S75-E221 PolarHBondContact OG-OE2 3.36Å
76	P	97.2	Very high	98.1	Very high	110 Å²	110	39.7 Å²	39.7	71%	0.714	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.9	169.9	-24.4	35.5	0	0	0	114.6	S220	P76-S220 VanDerWaalsContact CD-O 3.29Å; P76-S220 WeakPolarHBondContact CD-O 3.5Å
77	S	97.8	Very high	98.1	Very high	18 Å²	18	42 Å²	42	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-0	178.4	80.5	0	0	0	0	114.8	S75 K131 Y132 E221	S75-S77 PolarHBondContact O-N 3.26Å; S75-S77 PolarHBondContact OG-N 3.06Å; S77-K131 CarbonylContact O-C 3.25Å; S77-K131 WeakPolarHBondContact O-CA 3.26Å; S77-K131 WeakPolarHBondContact O-CG 3.47Å; S77-K131 WeakPolarHBondContact OG-CE 3.48Å; S77-Y132 PolarHBondContact O-N 3.02Å; S77-E221 WeakPolarHBondContact CB-OE1 3.42Å; S77-E221 VanDerWaalsContact OG-CD 3.25Å; S77-E221 PolarHBondContact OG-OE1 2.83Å; S77-E221 PolarHBondContact OG-OE2 2.78Å
78	V	98.6	Very high	97.9	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.8	-173.3	-178	0	0	0	0	111.3	E74 S75 A129 V130 K131 V179 L223	E74-V78 HydrophobicContact CB-CG1 4.31Å; E74-V78 PolarHBondContact N-O 2.79Å; S75-V78 PolarHBondContact N-O 2.68Å; S75-V78 VanDerWaalsContact N-O 3.1Å; S75-V78 PolarHBondContact O-N 3.03Å; S75-V78 WeakPolarHBondContact OG-CB 3.43Å; S75-V78 WeakPolarHBondContact OG-CG2 3.14Å; S75-V78 PolarHBondContact OG-N 2.9Å; V78-A129 HydrophobicContact CG1-CB 3.83Å; V78-V130 WeakPolarHBondContact CA-O 3.48Å; V78-K131 HydrophobicContact CG2-CB 4.2Å; V78-K131 HydrophobicContact CG2-CG 4.16Å; V78-V179 HydrophobicContact CG1-CG1 4.49Å; V78-V179 HydrophobicContact CG2-CG1 3.71Å; V78-L223 HydrophobicContact CB-CD1 4.36Å; V78-L223 HydrophobicContact CB-CD2 3.82Å; V78-L223 HydrophobicContact CG1-CD1 3.88Å; V78-L223 HydrophobicContact CG1-CD2 4.13Å; V78-L223 HydrophobicContact CG2-CD1 4.21Å; V78-L223 HydrophobicContact CG2-CD2 3.89Å
79	K	98.6	Very high	97.8	Very high	34 Å²	34	50.2 Å²	50.2	15%	0.148	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.8	173.4	-170.7	-172	-69.8	-175.6	0	109.2	A71 A72 L81 V130 V141 H142	A71-K79 HydrophobicContact CB-CD 4.47Å; A72-K79 CarbonylContact O-C 3.5Å; A72-K79 VanDerWaalsContact O-CA 3.3Å; A72-K79 WeakPolarHBondContact O-CA 3.2Å; A72-K79 VanDerWaalsContact O-CG 3.23Å; A72-K79 WeakPolarHBondContact O-CG 3.47Å; K79-L81 HydrophobicContact CD-CD2 4.37Å; K79-V130 PolarHBondContact N-O 3.2Å; K79-V130 PolarHBondContact O-N 2.85Å; K79-V141 HydrophobicContact CD-CG1 4.29Å; K79-V141 WeakPolarHBondContact CD-O 3.44Å; K79-V141 WeakPolarHBondContact CE-O 3.37Å; K79-V141 PolarHBondContact NZ-O 3.02Å; K79-H142 PolarHBondContact N-CE1 2.78Å; K79-H142 PolarHBondContact NZ-O 3.23Å
80	S	98.3	Very high	97.8	Very high	21 Å²	21	47.9 Å²	47.9	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.5	170	51.1	0	0	0	0	111	A71 A72 L128	A71-S80 VanDerWaalsContact CA-O 3.29Å; A71-S80 WeakPolarHBondContact CA-O 3.3Å; A72-S80 PolarHBondContact N-O 2.74Å; A72-S80 PolarHBondContact O-N 3.24Å; A72-S80 PolarHBondContact O-OG 2.93Å; S80-L128 CarbonylContact C-O 3.59Å; S80-L128 VanDerWaalsContact CA-O 3.23Å; S80-L128 WeakPolarHBondContact CA-O 3.49Å
81	L	98.8	Very high	97.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.5	174.4	-62.6	-178.8	0	0	0	109.5	V68 G70 A71 K79 L83 F100 E127 L128 V141	V68-L81 HydrophobicContact CG1-CD2 4.22Å; G70-L81 CarbonylContact O-C 3.48Å; G70-L81 WeakPolarHBondContact O-CA 3.44Å; A71-L81 HydrophobicContact CB-CD2 3.78Å; K79-L81 HydrophobicContact CD-CD2 4.37Å; L81-L83 HydrophobicContact CB-CD2 4.21Å; L81-L83 HydrophobicContact CD1-CD2 4.49Å; L81-F100 HydrophobicContact CD1-CZ 4.31Å; L81-E127 WeakPolarHBondContact O-CA 3.31Å; L81-L128 PolarHBondContact N-O 2.89Å; L81-L128 PolarHBondContact O-N 3.06Å; L81-V141 HydrophobicContact CD1-CB 4.47Å; L81-V141 HydrophobicContact CD1-CG1 3.78Å; L81-V141 HydrophobicContact CD1-CG2 3.89Å; L81-V141 HydrophobicContact CD2-CG1 4.26Å; L81-V141 HydrophobicContact CG-CG1 4.05Å
82	R	98.7	Very high	97.9	Very high	74 Å²	74	47.2 Å²	47.2	28%	0.279	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.4	168.7	-156.6	-176.4	-170.5	-144.6	-5.6	108.4	C69 G70 E123 M125 E127	C69-R82 PolarHBondContact N-O 3.44Å; G70-R82 PolarHBondContact N-O 3.18Å; G70-R82 PolarHBondContact O-N 3.1Å; R82-E123 IonicContact CZ-OE2 2.79Å; R82-E123 IonicContact NH1-OE2 3.76Å; R82-E123 PolarHBondContact NH1-OE2 3.15Å; R82-E123 IonicContact NH2-OE1 3.21Å; R82-E123 PolarHBondContact NH2-OE1 2.79Å; R82-E123 IonicContact NH2-OE2 3.74Å; R82-E123 PolarHBondContact NH2-OE2 2.99Å; R82-M125 HydrophobicContact CB-CE 4.4Å; R82-M125 HydrophobicContact CG-CB 4.43Å; R82-M125 HydrophobicContact CG-CE 3.68Å; R82-E127 HydrophobicContact CG-CG 4.14Å
83	L	98.8	Very high	97.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.9	-171.5	-53.6	176.8	0	0	0	110.5	A66 K67 V68 L81 F100 M125 I126 L128 V153	A66-L83 HydrophobicContact CB-CB 4.45Å; K67-L83 CarbonylContact O-C 3.6Å; K67-L83 VanDerWaalsContact O-CA 3.31Å; K67-L83 WeakPolarHBondContact O-CA 3.44Å; V68-L83 HydrophobicContact CB-CD2 4.35Å; V68-L83 HydrophobicContact CG2-CD2 3.66Å; L81-L83 HydrophobicContact CB-CD2 4.21Å; L81-L83 HydrophobicContact CD1-CD2 4.49Å; L83-F100 HydrophobicContact CD1-CD2 4.45Å; L83-F100 HydrophobicContact CD1-CE2 3.78Å; L83-M125 CarbonylContact O-C 3.6Å; L83-M125 VanDerWaalsContact O-CA 3.29Å; L83-M125 WeakPolarHBondContact O-CA 3.41Å; L83-I126 HydrophobicContact CB-CG1 3.92Å; L83-I126 HydrophobicContact CD1-CD1 4.25Å; L83-I126 HydrophobicContact CD1-CG1 4.16Å; L83-I126 HydrophobicContact CG-CG1 4.47Å; L83-I126 PolarHBondContact N-O 3.28Å; L83-I126 PolarHBondContact O-N 2.76Å; L83-L128 HydrophobicContact CD1-CD1 3.69Å; L83-L128 HydrophobicContact CD1-CG 4.06Å; L83-V153 HydrophobicContact CD1-CG1 4.4Å
84	L	98.8	Very high	98	Very high	74 Å²	74	42.5 Å²	42.5	39%	0.387	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.1	169	179.5	65.2	0	0	0	109.2	A66 K67 C69 R124 M125	A66-L84 CarbonylContact C-O 3.54Å; A66-L84 WeakPolarHBondContact CA-O 3.5Å; A66-L84 WeakPolarHBondContact CB-O 3.38Å; K67-L84 PolarHBondContact N-O 3.15Å; K67-L84 PolarHBondContact O-N 2.91Å; C69-L84 VanDerWaalsContact SG-CB 3.56Å; L84-R124 HydrophobicContact CD1-CB 3.91Å; L84-M125 WeakPolarHBondContact CA-SD 3.33Å; L84-M125 HydrophobicContact CB-CE 4.43Å; L84-M125 HydrophobicContact CB-SD 3.59Å; L84-M125 VanDerWaalsContact CB-SD 3.59Å; L84-M125 HydrophobicContact CD1-SD 3.7Å; L84-M125 HydrophobicContact CG-SD 4.26Å
85	V	98.7	Very high	98.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.5	-176.8	-174.8	0	0	0	0	109.7	S64 A66 F90 L120 R124 I126	S64-V85 VanDerWaalsContact OG-CG1 3.22Å; S64-V85 WeakPolarHBondContact OG-CG1 3.35Å; A66-V85 HydrophobicContact CB-CG2 4.45Å; V85-F90 HydrophobicContact CG1-CB 3.91Å; V85-F90 HydrophobicContact CG1-CD1 3.67Å; V85-F90 HydrophobicContact CG1-CD2 4.13Å; V85-F90 HydrophobicContact CG1-CE1 4.17Å; V85-F90 HydrophobicContact CG1-CG 3.64Å; V85-F90 HydrophobicContact CG2-CE1 4.44Å; V85-L120 HydrophobicContact CB-CD1 3.96Å; V85-L120 HydrophobicContact CG1-CD1 4.47Å; V85-L120 HydrophobicContact CG2-CD1 4.06Å; V85-R124 PolarHBondContact N-O 3.48Å; V85-I126 HydrophobicContact CG2-CD1 4.15Å; V85-I126 HydrophobicContact CG2-CG1 3.93Å; V85-I126 HydrophobicContact CG2-CG2 4.24Å
86	A	98	Very high	98.1	Very high	63 Å²	63	40.1 Å²	40.1	52%	0.521	22%	0.22	S	C	.	.			trans	-76.3	-44.4	-170.6	0	0	0	0	0	114	S64 A65 Q88	S64-A86 PolarHBondContact OG-N 2.78Å; A65-A86 HydrophobicContact CB-CB 4.38Å; A65-A86 PolarHBondContact O-N 2.89Å; A86-Q88 PolarHBondContact O-NE2 2.84Å
87	D	97.3	Very high	98.1	Very high	56 Å²	56	35.1 Å²	35.1	30%	0.299	19%	0.188	S	C	.	.			trans	-65.8	136.3	-179.4	-171.9	-62	0	0	0	110.3	I62 S64 D89 F90 R124	I62-D87 HydrophobicContact CG2-CB 4.32Å; S64-D87 WeakPolarHBondContact OG-CB 3.41Å; S64-D87 PolarHBondContact OG-N 3.01Å; D87-D89 WeakPolarHBondContact OD1-CA 3.5Å; D87-D89 PolarHBondContact OD1-N 3.14Å; D87-F90 HydrophobicContact CB-CB 4.14Å; D87-F90 PolarHBondContact OD1-N 2.94Å; D87-R124 PolarHBondContact O-NH2 2.69Å
88	Q	95.9	Very high	98.2	Very high	122 Å²	122	34.3 Å²	34.3	57%	0.57	18%	0.182	S	C	*	.	S	Bend	trans	-83.8	-32.1	-176	-62.1	-55.7	-66.2	0	0	113.2	A86 F90 R124	A86-Q88 PolarHBondContact O-NE2 2.84Å; Q88-F90 VanDerWaalsContact C-N 3.32Å; Q88-R124 PolarHBondContact O-NH1 3.19Å; Q88-R124 PolarHBondContact O-NH2 3.04Å; Q88-R124 VanDerWaalsContact O-NH2 3.14Å
89	D	96.6	Very high	98.2	Very high	124 Å²	124	34.1 Å²	34.1	66%	0.663	18%	0.181	S	C	*	.	S	Bend	trans	-81.6	-16.5	-179.1	-63.6	-35.4	0	0	0	111.8	I62 D87 S91	I62-D89 HydrophobicContact CD1-CB 3.66Å; D87-D89 WeakPolarHBondContact OD1-CA 3.5Å; D87-D89 PolarHBondContact OD1-N 3.14Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 PolarHBondContact O-OG 2.78Å; D89-S91 VanDerWaalsContact O-OG 3.04Å
90	F	97.8	Very high	98.1	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.018	17%	0.174	C	C	.	.			trans	-50.4	125.3	166.4	-170	-82.1	0	0	0	110.3	I62 V85 D87 Q88 V98 L120 R124 V153 V155	I62-F90 HydrophobicContact CG2-CB 4.36Å; I62-F90 HydrophobicContact CG2-CD2 4.28Å; V85-F90 HydrophobicContact CG1-CB 3.91Å; V85-F90 HydrophobicContact CG1-CD1 3.67Å; V85-F90 HydrophobicContact CG1-CD2 4.13Å; V85-F90 HydrophobicContact CG1-CE1 4.17Å; V85-F90 HydrophobicContact CG1-CG 3.64Å; V85-F90 HydrophobicContact CG2-CE1 4.44Å; D87-F90 HydrophobicContact CB-CB 4.14Å; D87-F90 PolarHBondContact OD1-N 2.94Å; Q88-F90 VanDerWaalsContact C-N 3.32Å; F90-V98 HydrophobicContact CZ-CG1 4.26Å; F90-L120 HydrophobicContact CD1-CD1 4.15Å; F90-L120 HydrophobicContact CD1-CD2 3.76Å; F90-L120 HydrophobicContact CE1-CD2 4.21Å; F90-L120 WeakPolarHBondContact O-CD2 3.37Å; F90-R124 PolarHBondContact O-NH2 3.5Å; F90-V153 HydrophobicContact CE2-CB 4.33Å; F90-V153 HydrophobicContact CE2-CG2 3.73Å; F90-V153 HydrophobicContact CZ-CB 4.39Å; F90-V153 HydrophobicContact CZ-CG2 3.83Å; F90-V155 HydrophobicContact CD2-CG2 4.43Å; F90-V155 HydrophobicContact CE1-CG2 3.82Å; F90-V155 HydrophobicContact CE2-CG2 3.66Å; F90-V155 HydrophobicContact CZ-CG2 3.31Å
91	S	97.7	Very high	98.1	Very high	47 Å²	47	34.1 Å²	34.1	33%	0.329	18%	0.178	S	C	.	.			trans	-156.3	153	-177.2	43.7	0	0	0	0	109.5	R60 D89	R60-S91 WeakPolarHBondContact CD-O 3.23Å; R60-S91 PolarHBondContact NE-O 2.96Å; R60-S91 PolarHBondContact NH1-O 3.25Å; R60-S91 PolarHBondContact NH1-OG 3.09Å; R60-S91 PolarHBondContact NH2-O 3.39Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 PolarHBondContact O-OG 2.78Å; D89-S91 VanDerWaalsContact O-OG 3.04Å
92	F	98.5	Very high	98.1	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.044	18%	0.179	C	C	.	.			trans	-144.4	161.5	-179.3	74.7	-78.3	0	0	0	110.9	I113 S116 P117 L120 I126 V155	F92-I113 HydrophobicContact CB-CD1 3.94Å; F92-I113 HydrophobicContact CD1-CD1 4.02Å; F92-I113 HydrophobicContact CD2-CB 4.36Å; F92-I113 HydrophobicContact CD2-CD1 3.4Å; F92-I113 VanDerWaalsContact CD2-CD1 3.4Å; F92-I113 HydrophobicContact CD2-CG1 4.48Å; F92-I113 HydrophobicContact CD2-CG2 4.29Å; F92-I113 HydrophobicContact CE1-CD1 4.38Å; F92-I113 HydrophobicContact CE1-CG2 4.44Å; F92-I113 HydrophobicContact CE2-CB 4.05Å; F92-I113 HydrophobicContact CE2-CD1 3.84Å; F92-I113 HydrophobicContact CE2-CG2 3.57Å; F92-I113 HydrophobicContact CG-CD1 3.51Å; F92-I113 HydrophobicContact CZ-CD1 4.3Å; F92-I113 HydrophobicContact CZ-CG2 3.66Å; F92-S116 WeakPolarHBondContact CZ-O 3.38Å; F92-P117 HydrophobicContact CD2-CG 4.44Å; F92-P117 HydrophobicContact CE1-CB 4.46Å; F92-P117 HydrophobicContact CE2-CG 4.09Å; F92-P117 HydrophobicContact CZ-CB 4.41Å; F92-P117 HydrophobicContact CZ-CG 4.21Å; F92-P117 WeakPolarHBondContact O-CG 3.36Å; F92-L120 HydrophobicContact CD1-CD2 3.68Å; F92-L120 HydrophobicContact CE1-CB 3.95Å; F92-L120 HydrophobicContact CE1-CD2 3.94Å; F92-I126 HydrophobicContact CD1-CG2 4.27Å; F92-I126 HydrophobicContact CE1-CG2 3.78Å; F92-I126 HydrophobicContact CZ-CG2 4.47Å; F92-V155 HydrophobicContact CB-CG1 3.83Å; F92-V155 HydrophobicContact CB-CG2 3.92Å
93	K	98.6	Very high	98.1	Very high	62 Å²	62	35.5 Å²	35.5	27%	0.27	20%	0.196	S	C	.	.			trans	-101.4	145.1	174.5	-58.9	-177.2	177	-152.8	0	109.9	G95 Q96 F160 D162	K93-G95 PolarHBondContact O-N 3.23Å; K93-G95 VanDerWaalsContact O-N 3.15Å; K93-Q96 HydrophobicContact CB-CG 4.17Å; K93-Q96 WeakPolarHBondContact O-CB 3.47Å; K93-Q96 WeakPolarHBondContact O-CG 3.34Å; K93-Q96 PolarHBondContact O-N 2.99Å; K93-F160 HydrophobicContact CB-CB 3.66Å; K93-F160 HydrophobicContact CB-CD1 4.22Å; K93-F160 HydrophobicContact CB-CD2 3.97Å; K93-F160 HydrophobicContact CB-CG 3.68Å; K93-F160 HydrophobicContact CD-CD1 3.96Å; K93-F160 HydrophobicContact CD-CD2 3.51Å; K93-F160 HydrophobicContact CD-CE1 3.9Å; K93-F160 HydrophobicContact CD-CE2 3.46Å; K93-F160 VanDerWaalsContact CD-CE2 3.46Å; K93-F160 HydrophobicContact CD-CG 3.79Å; K93-F160 HydrophobicContact CD-CZ 3.67Å; K93-F160 HydrophobicContact CG-CD2 4.38Å; K93-F160 HydrophobicContact CG-CG 4.39Å; K93-D162 HydrophobicContact CB-CB 4.26Å; K93-D162 HydrophobicContact CD-CB 3.78Å; K93-D162 VanDerWaalsContact CD-OD2 3.3Å; K93-D162 WeakPolarHBondContact CD-OD2 3.49Å; K93-D162 WeakPolarHBondContact CE-OD2 3.33Å; K93-D162 HydrophobicContact CG-CB 4.18Å; K93-D162 IonicContact NZ-OD2 3.79Å; K93-D162 PolarHBondContact NZ-OD2 3.18Å
94	A	98.7	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-61.1	119.2	-173.6	0	0	0	0	0	111.2	P117 F160 F161 S186 I187 H190	A94-P117 HydrophobicContact CB-CG 4.19Å; A94-F160 CarbonylContact O-C 3.46Å; A94-F160 WeakPolarHBondContact O-CA 3.18Å; A94-F160 VanDerWaalsContact O-CB 3.27Å; A94-F160 WeakPolarHBondContact O-CB 3.31Å; A94-F161 PolarHBondContact O-N 3.17Å; A94-S186 WeakPolarHBondContact CA-OG 3.13Å; A94-I187 HydrophobicContact CB-CG1 4.26Å; A94-I187 VanDerWaalsContact O-CG1 3.26Å; A94-I187 WeakPolarHBondContact O-CG1 3.4Å; A94-H190 HydrophobicContact CB-CB 3.5Å; A94-H190 VanDerWaalsContact CB-CB 3.5Å
95	G	98.4	Very high	97.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.6	-18.4	-172.8	0	0	0	0	0	115.5	K93 F159 P183 S186	K93-G95 PolarHBondContact O-N 3.23Å; K93-G95 VanDerWaalsContact O-N 3.15Å; G95-F159 CarbonylContact C-O 3.54Å; G95-F159 WeakPolarHBondContact CA-O 3.22Å; G95-P183 WeakPolarHBondContact O-CB 3.31Å; G95-S186 PolarHBondContact N-OG 3.26Å
96	Q	98.3	Very high	97.6	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.07	28%	0.275	C	S	.	.			trans	-66.3	165.1	177.5	-69	-169	-63.6	0	0	113.4	K93 I113 V155 G157 F159 F160	K93-Q96 HydrophobicContact CB-CG 4.17Å; K93-Q96 WeakPolarHBondContact O-CB 3.47Å; K93-Q96 WeakPolarHBondContact O-CG 3.34Å; K93-Q96 PolarHBondContact O-N 2.99Å; Q96-I113 PolarHBondContact O-N 2.84Å; Q96-V155 HydrophobicContact CB-CG1 3.88Å; Q96-V155 HydrophobicContact CG-CG1 4.33Å; Q96-V155 VanDerWaalsContact OE1-CG1 3.29Å; Q96-G157 PolarHBondContact NE2-O 3.29Å; Q96-F159 PolarHBondContact N-O 3.22Å; Q96-F160 HydrophobicContact CG-CB 4.15Å; Q96-F160 HydrophobicContact CG-CD1 4.08Å
97	W	98	Very high	97.4	Very high	6 Å²	6	42.8 Å²	42.8	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	166.1	179.5	59.5	-99.5	0	0	0	111.7	H50 T54 V57 D99 F111 V155 G156 G157 W311	H50-W97 AromaticContact CE1-CE3 3.76Å; H50-W97 AromaticContact CE1-CH2 3.64Å; H50-W97 AromaticContact CE1-CZ3 3.5Å; H50-W97 VanDerWaalsContact CE1-CZ3 3.5Å; H50-W97 WeakPolarHBondContact CE1-CZ3 3.32Å; H50-W97 AromaticContact NE2-CE3 3.63Å; H50-W97 AromaticContact NE2-CH2 3.54Å; H50-W97 AromaticContact NE2-CZ3 3.12Å; H50-W97 WeakPolarHBondContact NE2-CZ3 3.36Å; T54-W97 HydrophobicContact CG2-CZ2 4.17Å; V57-W97 HydrophobicContact CG1-CZ2 4.21Å; W97-D99 WeakPolarHBondContact CH2-OD1 3.21Å; W97-D99 HydrophobicContact CZ3-CB 4.3Å; W97-D99 VanDerWaalsContact CZ3-N 3.33Å; W97-D99 WeakPolarHBondContact CZ3-OD1 3.22Å; W97-F111 CarbonylContact C-O 3.52Å; W97-F111 WeakPolarHBondContact CA-O 3.36Å; W97-F111 WeakPolarHBondContact CB-O 3.27Å; W97-V155 WeakPolarHBondContact O-CA 3.38Å; W97-G156 VanDerWaalsContact CE2-C 3.46Å; W97-G156 PolarHBondContact N-O 3.02Å; W97-G156 VanDerWaalsContact N-O 3.08Å; W97-G156 PolarHBondContact O-N 3.12Å; W97-G157 VanDerWaalsContact NE1-CA 3.28Å; W97-W311 HydrophobicContact CB-CH2 3.92Å; W97-W311 HydrophobicContact CB-CZ2 3.84Å; W97-W311 AromaticContact CD1-CZ2 3.87Å; W97-W311 HydrophobicContact CD2-CH2 4.1Å; W97-W311 AromaticContact CG-CH2 3.74Å; W97-W311 HydrophobicContact CG-CH2 3.74Å; W97-W311 AromaticContact CG-CZ2 3.84Å; W97-W311 HydrophobicContact CG-CZ2 3.84Å
98	V	98.4	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135	173.8	-63.1	0	0	0	0	112.8	F90 F100 F111 I113 I126 L128 V153 R154	F90-V98 HydrophobicContact CZ-CG1 4.26Å; V98-F100 HydrophobicContact CG2-CD2 4.47Å; V98-F100 PolarHBondContact O-N 2.97Å; V98-F111 PolarHBondContact N-O 3.14Å; V98-F111 PolarHBondContact O-N 3.02Å; V98-F111 VanDerWaalsContact O-N 3.17Å; V98-I113 HydrophobicContact CG1-CD1 3.87Å; V98-I113 HydrophobicContact CG1-CG1 4.01Å; V98-I126 HydrophobicContact CG1-CD1 4.08Å; V98-L128 HydrophobicContact CG2-CD1 4.09Å; V98-L128 HydrophobicContact CG2-CD2 3.92Å; V98-V153 HydrophobicContact CB-CB 4.14Å; V98-V153 HydrophobicContact CB-CG1 4.21Å; V98-V153 HydrophobicContact CG1-CB 4.2Å; V98-V153 HydrophobicContact CG2-CG1 4.06Å; V98-R154 CarbonylContact C-O 3.33Å; V98-R154 VanDerWaalsContact CA-O 3.28Å; V98-R154 WeakPolarHBondContact CA-O 3.24Å
99	D	98.3	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	121.8	155.3	-71.9	-31.1	0	0	0	105.1	H50 M51 R59 W97 F101 V108 G109 V153 R154	H50-D99 IonicContact CD2-OD1 2.61Å; H50-D99 IonicContact NE2-OD1 3.57Å; H50-D99 PolarHBondContact NE2-OD1 2.96Å; M51-D99 HydrophobicContact CE-CB 4.42Å; M51-D99 WeakPolarHBondContact CE-OD1 3.44Å; R59-D99 WeakPolarHBondContact CD-OD2 3.22Å; R59-D99 IonicContact CZ-OD1 2.68Å; R59-D99 IonicContact CZ-OD2 3.62Å; R59-D99 IonicContact NE-OD1 3.48Å; R59-D99 PolarHBondContact NE-OD1 3.2Å; R59-D99 IonicContact NE-OD2 2.86Å; R59-D99 PolarHBondContact NE-OD2 3.48Å; R59-D99 IonicContact NH2-OD1 3.67Å; R59-D99 PolarHBondContact NH2-OD1 2.69Å; R59-D99 IonicContact NH2-OD2 4Å; W97-D99 WeakPolarHBondContact CH2-OD1 3.21Å; W97-D99 HydrophobicContact CZ3-CB 4.3Å; W97-D99 VanDerWaalsContact CZ3-N 3.33Å; W97-D99 WeakPolarHBondContact CZ3-OD1 3.22Å; D99-F101 HydrophobicContact CB-CD2 4.37Å; D99-F101 HydrophobicContact CB-CE2 3.52Å; D99-F101 HydrophobicContact CB-CZ 3.64Å; D99-V108 HydrophobicContact CB-CG1 3.91Å; D99-G109 CarbonylContact C-O 3.55Å; D99-G109 WeakPolarHBondContact CA-O 3.38Å; D99-V153 VanDerWaalsContact O-CA 3.31Å; D99-V153 WeakPolarHBondContact O-CA 3.35Å; D99-R154 HydrophobicContact CB-CB 4.26Å; D99-R154 PolarHBondContact N-O 3.34Å; D99-R154 PolarHBondContact O-N 2.75Å; D99-R154 VanDerWaalsContact O-N 3.14Å; D99-R154 IonicContact OD2-CZ 3.53Å; D99-R154 IonicContact OD2-NE 3.48Å; D99-R154 PolarHBondContact OD2-NE 2.81Å; D99-R154 IonicContact OD2-NH2 2.69Å; D99-R154 PolarHBondContact OD2-NH2 2.95Å
100	F	98.3	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	102	-173.7	-169.1	-98.1	0	0	0	109.6	L81 L83 V98 I102 G109 F111 L128 W140 V141 V151 V153	L81-F100 HydrophobicContact CD1-CZ 4.31Å; L83-F100 HydrophobicContact CD1-CD2 4.45Å; L83-F100 HydrophobicContact CD1-CE2 3.78Å; V98-F100 HydrophobicContact CG2-CD2 4.47Å; V98-F100 PolarHBondContact O-N 2.97Å; F100-I102 HydrophobicContact CD1-CD1 3.76Å; F100-I102 HydrophobicContact CD1-CG1 3.59Å; F100-I102 HydrophobicContact CE1-CD1 3.72Å; F100-I102 HydrophobicContact CE1-CG1 3.48Å; F100-I102 VanDerWaalsContact CE1-CG1 3.48Å; F100-G109 PolarHBondContact N-O 3.31Å; F100-G109 PolarHBondContact O-N 2.8Å; F100-F111 HydrophobicContact CB-CD2 3.69Å; F100-F111 HydrophobicContact CB-CE2 3.92Å; F100-F111 HydrophobicContact CD1-CD2 4.14Å; F100-F111 AromaticContact CD1-CE2 3.71Å; F100-F111 HydrophobicContact CD1-CE2 3.71Å; F100-F111 HydrophobicContact CD2-CD2 4.26Å; F100-F111 HydrophobicContact CE1-CE2 4.35Å; F100-F111 AromaticContact CG-CD2 3.79Å; F100-F111 HydrophobicContact CG-CD2 3.79Å; F100-F111 AromaticContact CG-CE2 3.85Å; F100-F111 HydrophobicContact CG-CE2 3.85Å; F100-L128 HydrophobicContact CD2-CD1 3.84Å; F100-L128 HydrophobicContact CE2-CD1 3.89Å; F100-W140 HydrophobicContact CE1-CE3 4.21Å; F100-W140 AromaticContact CE1-CZ3 3.95Å; F100-W140 HydrophobicContact CE1-CZ3 3.95Å; F100-W140 HydrophobicContact CZ-CZ3 4.13Å; F100-V141 HydrophobicContact CE1-CG2 4.1Å; F100-V141 HydrophobicContact CZ-CG2 4.49Å; F100-V151 HydrophobicContact CE1-CG1 4.01Å; F100-V151 HydrophobicContact CE2-CB 4.26Å; F100-V151 HydrophobicContact CE2-CG1 4.34Å; F100-V151 HydrophobicContact CE2-CG2 3.81Å; F100-V151 HydrophobicContact CZ-CB 4.11Å; F100-V151 HydrophobicContact CZ-CG1 3.7Å; F100-V151 HydrophobicContact CZ-CG2 3.98Å; F100-V153 HydrophobicContact CD2-CG1 3.94Å; F100-V153 HydrophobicContact CE2-CG1 4.44Å
101	F	98.4	Very high	97.3	Very high	54 Å²	54	30.9 Å²	30.9	24%	0.237	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.8	-176.6	-54.8	-87.6	0	0	0	109.9	V63 D99 V108 V151 A152 R154	V63-F101 HydrophobicContact CG1-CD2 4.42Å; V63-F101 HydrophobicContact CG1-CE2 4.34Å; D99-F101 HydrophobicContact CB-CD2 4.37Å; D99-F101 HydrophobicContact CB-CE2 3.52Å; D99-F101 HydrophobicContact CB-CZ 3.64Å; F101-V108 HydrophobicContact CD1-CB 4.47Å; F101-V108 HydrophobicContact CD1-CG1 3.83Å; F101-V108 HydrophobicContact CD1-CG2 3.78Å; F101-V108 HydrophobicContact CE1-CB 4.41Å; F101-V108 HydrophobicContact CE1-CG1 3.69Å; F101-V108 HydrophobicContact CE1-CG2 3.72Å; F101-V108 HydrophobicContact CG-CG1 4.35Å; F101-V108 HydrophobicContact CZ-CG1 4.1Å; F101-V151 WeakPolarHBondContact O-CA 3.44Å; F101-V151 WeakPolarHBondContact O-CB 3.31Å; F101-A152 HydrophobicContact CB-CB 4.13Å; F101-A152 HydrophobicContact CD2-CB 4.28Å; F101-A152 WeakPolarHBondContact CD2-O 3Å; F101-A152 PolarHBondContact N-O 2.9Å; F101-A152 PolarHBondContact O-N 3.33Å; F101-R154 HydrophobicContact CE2-CB 4.02Å
102	I	98.4	Very high	97.4	Very high	10 Å²	10	29 Å²	29	5%	0.051	19%	0.19	C	C	.	.			trans	-116.6	124.8	-178.2	-57.6	158.2	0	0	0	108.4	F100 G104 V105 P137 W140 V151	F100-I102 HydrophobicContact CD1-CD1 3.76Å; F100-I102 HydrophobicContact CD1-CG1 3.59Å; F100-I102 HydrophobicContact CE1-CD1 3.72Å; F100-I102 HydrophobicContact CE1-CG1 3.48Å; F100-I102 VanDerWaalsContact CE1-CG1 3.48Å; I102-G104 PolarHBondContact O-N 3.47Å; I102-V105 HydrophobicContact CB-CB 4Å; I102-V105 HydrophobicContact CB-CG2 3.89Å; I102-V105 HydrophobicContact CD1-CG2 4.42Å; I102-V105 HydrophobicContact CG2-CB 4.28Å; I102-V105 HydrophobicContact CG2-CG2 3.63Å; I102-V105 PolarHBondContact O-N 2.84Å; I102-P137 HydrophobicContact CD1-CB 3.89Å; I102-P137 HydrophobicContact CD1-CG 4.49Å; I102-W140 HydrophobicContact CD1-CB 4.04Å; I102-W140 HydrophobicContact CD1-CD2 3.87Å; I102-W140 HydrophobicContact CD1-CE3 3.67Å; I102-W140 HydrophobicContact CD1-CG 4.03Å; I102-W140 HydrophobicContact CD1-CZ3 4.44Å; I102-W140 HydrophobicContact CG1-CD2 4.23Å; I102-W140 HydrophobicContact CG1-CE3 3.98Å; I102-W140 HydrophobicContact CG1-CZ3 4.31Å; I102-W140 HydrophobicContact CG2-CD2 3.59Å; I102-W140 VanDerWaalsContact CG2-CE2 3.44Å; I102-W140 HydrophobicContact CG2-CE3 4.14Å; I102-W140 HydrophobicContact CG2-CG 3.88Å; I102-W140 HydrophobicContact CG2-CH2 4.42Å; I102-W140 HydrophobicContact CG2-CZ2 3.9Å; I102-V151 HydrophobicContact CG1-CG1 4.27Å
103	P	97.6	Very high	97.4	Very high	97 Å²	97	28.5 Å²	28.5	63%	0.63	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	128.3	174.1	-27.3	35.7	0	0	0	112.1	V105 E150	P103-V105 VanDerWaalsContact C-N 3.31Å; P103-V105 PolarHBondContact O-N 2.83Å; P103-E150 WeakPolarHBondContact CD-O 3.48Å
104	G	95.7	Very high	97.4	Very high	91 Å²	91	25.6 Å²	25.6	94%	0.938	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	-3.8	-179.2	0	0	0	0	0	116.1	I102	I102-G104 PolarHBondContact O-N 3.47Å
105	V	96.4	Very high	97.4	Very high	39 Å²	39	25.6 Å²	25.6	24%	0.236	18%	0.176	C	C	.	.			trans	-105.1	118.6	173.4	-174.2	0	0	0	0	109.4	I102 P103 V107 P136	I102-V105 HydrophobicContact CB-CB 4Å; I102-V105 HydrophobicContact CB-CG2 3.89Å; I102-V105 HydrophobicContact CD1-CG2 4.42Å; I102-V105 HydrophobicContact CG2-CB 4.28Å; I102-V105 HydrophobicContact CG2-CG2 3.63Å; I102-V105 PolarHBondContact O-N 2.84Å; P103-V105 VanDerWaalsContact C-N 3.31Å; P103-V105 PolarHBondContact O-N 2.83Å; V105-V107 HydrophobicContact CG1-CB 4.43Å; V105-V107 PolarHBondContact O-N 3.45Å; V105-P136 HydrophobicContact CG1-CB 3.9Å
106	S	93.6	Very high	97.4	Very high	126 Å²	126	26.1 Å²	26.1	88%	0.881	18%	0.179	S	C	*	.	S	Bend	trans	-75.8	-5.3	-176.3	55.5	0	0	0	0	115.2
107	V	94.6	Very high	97.4	Very high	36 Å²	36	26 Å²	26	22%	0.218	18%	0.18	C	C	.	.	S	Bend	trans	-110.9	128.3	-176.8	175	0	0	0	0	108.3	D49 V105 H135 P136 P137	D49-V107 WeakPolarHBondContact OD1-CG1 3.09Å; V105-V107 HydrophobicContact CG1-CB 4.43Å; V105-V107 PolarHBondContact O-N 3.45Å; V107-H135 WeakPolarHBondContact CG1-NE2 3.41Å; V107-P136 HydrophobicContact CB-CB 4.45Å; V107-P136 HydrophobicContact CB-CG 4.37Å; V107-P136 HydrophobicContact CG2-CG 4.19Å; V107-P137 HydrophobicContact CB-CG 4.43Å; V107-P137 HydrophobicContact CG1-CG 4.07Å; V107-P137 VanDerWaalsContact O-CG 3.31Å; V107-P137 WeakPolarHBondContact O-CG 3.35Å
108	V	96.2	Very high	97.4	Very high	21 Å²	21	28.9 Å²	28.9	13%	0.127	19%	0.191	C	C	.	.			trans	-85.7	130.5	-179.1	-174.2	0	0	0	0	109.5	H50 M51 D99 F101	H50-V108 WeakPolarHBondContact CB-O 3.4Å; M51-V108 HydrophobicContact CE-CB 3.72Å; M51-V108 HydrophobicContact CE-CG1 3.57Å; M51-V108 HydrophobicContact CE-CG2 4.41Å; M51-V108 HydrophobicContact CG-CB 4.2Å; M51-V108 HydrophobicContact CG-CG2 4.12Å; M51-V108 HydrophobicContact SD-CB 4.2Å; M51-V108 HydrophobicContact SD-CG1 4.24Å; M51-V108 HydrophobicContact SD-CG2 4.24Å; D99-V108 HydrophobicContact CB-CG1 3.91Å; F101-V108 HydrophobicContact CD1-CB 4.47Å; F101-V108 HydrophobicContact CD1-CG1 3.83Å; F101-V108 HydrophobicContact CD1-CG2 3.78Å; F101-V108 HydrophobicContact CE1-CB 4.41Å; F101-V108 HydrophobicContact CE1-CG1 3.69Å; F101-V108 HydrophobicContact CE1-CG2 3.72Å; F101-V108 HydrophobicContact CG-CG1 4.35Å; F101-V108 HydrophobicContact CZ-CG1 4.1Å
109	G	95.9	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	152.6	174.5	0	0	0	0	0	111.8	H50 D99 F100	H50-G109 PolarHBondContact CD2-O 2.92Å; D99-G109 CarbonylContact C-O 3.55Å; D99-G109 WeakPolarHBondContact CA-O 3.38Å; F100-G109 PolarHBondContact N-O 3.31Å; F100-G109 PolarHBondContact O-N 2.8Å
110	G	96.1	Very high	97.4	Very high	12 Å²	12	30.5 Å²	30.5	12%	0.124	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.9	167.1	0	0	0	0	0	108.5	H50 W311	H50-G110 VanDerWaalsContact CD2-CA 3.43Å; H50-G110 WeakPolarHBondContact CD2-CA 3.36Å; H50-G110 WeakPolarHBondContact NE2-CA 3.38Å; G110-W311 WeakPolarHBondContact O-CZ3 3.5Å
111	F	97.8	Very high	97.4	Very high	22 Å²	22	37 Å²	37	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121.1	-175.4	-58.2	-52.9	0	0	0	111.1	W97 V98 F100 L128 V130 P137 V141	W97-F111 CarbonylContact C-O 3.52Å; W97-F111 WeakPolarHBondContact CA-O 3.36Å; W97-F111 WeakPolarHBondContact CB-O 3.27Å; V98-F111 PolarHBondContact N-O 3.14Å; V98-F111 PolarHBondContact O-N 3.02Å; V98-F111 VanDerWaalsContact O-N 3.17Å; F100-F111 HydrophobicContact CB-CD2 3.69Å; F100-F111 HydrophobicContact CB-CE2 3.92Å; F100-F111 HydrophobicContact CD1-CD2 4.14Å; F100-F111 AromaticContact CD1-CE2 3.71Å; F100-F111 HydrophobicContact CD1-CE2 3.71Å; F100-F111 HydrophobicContact CD2-CD2 4.26Å; F100-F111 HydrophobicContact CE1-CE2 4.35Å; F100-F111 AromaticContact CG-CD2 3.79Å; F100-F111 HydrophobicContact CG-CD2 3.79Å; F100-F111 AromaticContact CG-CE2 3.85Å; F100-F111 HydrophobicContact CG-CE2 3.85Å; F111-L128 HydrophobicContact CB-CD1 4.09Å; F111-L128 HydrophobicContact CB-CD2 4.18Å; F111-L128 HydrophobicContact CD2-CD1 4.14Å; F111-V130 HydrophobicContact CD1-CG1 4.22Å; F111-V130 HydrophobicContact CD1-CG2 3.82Å; F111-V130 HydrophobicContact CD2-CG2 4.03Å; F111-V130 HydrophobicContact CE1-CB 4.29Å; F111-V130 HydrophobicContact CE1-CG1 3.53Å; F111-V130 HydrophobicContact CE1-CG2 3.87Å; F111-V130 HydrophobicContact CE2-CG2 4.06Å; F111-V130 HydrophobicContact CG-CG2 3.91Å; F111-V130 HydrophobicContact CZ-CG1 3.71Å; F111-V130 HydrophobicContact CZ-CG2 3.98Å; F111-P137 HydrophobicContact CE2-CB 4.24Å; F111-P137 HydrophobicContact CZ-CB 3.94Å; F111-V141 HydrophobicContact CE2-CG2 4.49Å
112	S	98.4	Very high	97.4	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.2	171.6	-46.7	0	0	0	0	111.4	E309 W311	S112-E309 PolarHBondContact OG-OE2 2.87Å; S112-E309 VanDerWaalsContact OG-OE2 3.13Å; S112-W311 VanDerWaalsContact OG-CZ2 3.24Å; S112-W311 WeakPolarHBondContact OG-CZ2 3.26Å; S112-W311 PolarHBondContact OG-NE1 2.89Å
113	I	98.8	Very high	97.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-70.2	139.6	173.3	-56.8	166.4	0	0	0	108.2	F92 Q96 V98 S115 I126 E127 L128 N182 S186	F92-I113 HydrophobicContact CB-CD1 3.94Å; F92-I113 HydrophobicContact CD1-CD1 4.02Å; F92-I113 HydrophobicContact CD2-CB 4.36Å; F92-I113 HydrophobicContact CD2-CD1 3.4Å; F92-I113 VanDerWaalsContact CD2-CD1 3.4Å; F92-I113 HydrophobicContact CD2-CG1 4.48Å; F92-I113 HydrophobicContact CD2-CG2 4.29Å; F92-I113 HydrophobicContact CE1-CD1 4.38Å; F92-I113 HydrophobicContact CE1-CG2 4.44Å; F92-I113 HydrophobicContact CE2-CB 4.05Å; F92-I113 HydrophobicContact CE2-CD1 3.84Å; F92-I113 HydrophobicContact CE2-CG2 3.57Å; F92-I113 HydrophobicContact CG-CD1 3.51Å; F92-I113 HydrophobicContact CZ-CD1 4.3Å; F92-I113 HydrophobicContact CZ-CG2 3.66Å; Q96-I113 PolarHBondContact O-N 2.84Å; V98-I113 HydrophobicContact CG1-CD1 3.87Å; V98-I113 HydrophobicContact CG1-CG1 4.01Å; I113-S115 VanDerWaalsContact CG2-OG 3.3Å; I113-S115 WeakPolarHBondContact CG2-OG 3.3Å; I113-I126 HydrophobicContact CG2-CB 4.28Å; I113-E127 WeakPolarHBondContact CA-O 3.1Å; I113-L128 HydrophobicContact CG1-CD2 4.21Å; I113-N182 CarbonylContact O-C 3.56Å; I113-S186 WeakPolarHBondContact O-CB 3.41Å
114	C	98.6	Very high	97.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	24%	0.244	C	C	.	.			trans	-113.3	-7.5	176.6	63.9	0	0	0	0	114.5	E127 N182 L185 S186 R189 F224	C114-E127 PolarHBondContact N-O 3.41Å; C114-E127 VanDerWaalsContact SG-C 3.56Å; C114-E127 PolarHBondContact SG-O 3Å; C114-E127 VanDerWaalsContact SG-O 3.37Å; C114-N182 WeakPolarHBondContact CA-O 3.4Å; C114-N182 HydrophobicContact CB-CB 4.15Å; C114-L185 HydrophobicContact CB-CD2 4.43Å; C114-S186 PolarHBondContact O-N 3.39Å; C114-R189 WeakPolarHBondContact O-CD 3.29Å; C114-R189 PolarHBondContact O-NH1 3.43Å; C114-F224 HydrophobicContact CB-CE2 4.35Å; C114-F224 HydrophobicContact CB-CZ 4.11Å
115	S	98.8	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-80	159.9	167.1	53.5	0	0	0	0	112.2	I113 I126 E127 S186	I113-S115 VanDerWaalsContact CG2-OG 3.3Å; I113-S115 WeakPolarHBondContact CG2-OG 3.3Å; S115-I126 WeakPolarHBondContact OG-CA 3.34Å; S115-E127 PolarHBondContact OG-N 2.69Å; S115-S186 VanDerWaalsContact O-CB 3.25Å; S115-S186 WeakPolarHBondContact O-CB 3.48Å; S115-S186 PolarHBondContact O-OG 2.89Å
116	S	98.6	Very high	97.6	Very high	11 Å²	11	36.7 Å²	36.7	8%	0.077	19%	0.191	C	C	.	.			trans	-77.9	159	166.9	59.3	0	0	0	0	111.3	F92 R118 L119 D193	F92-S116 WeakPolarHBondContact CZ-O 3.38Å; S116-R118 PolarHBondContact O-N 3.11Å; S116-L119 PolarHBondContact O-N 2.63Å; S116-D193 VanDerWaalsContact CB-OD2 3.23Å; S116-D193 WeakPolarHBondContact CB-OD2 3.34Å; S116-D193 PolarHBondContact OG-OD2 3.06Å
117	P	98.6	Very high	97.9	Very high	12 Å²	12	32.6 Å²	32.6	8%	0.078	16%	0.158	C	C	.	.	H	α-helix	trans	-54.3	-33.4	173.5	-28.3	36.9	0	0	0	113.5	F92 A94 L119 L120 E121	F92-P117 HydrophobicContact CD2-CG 4.44Å; F92-P117 HydrophobicContact CE1-CB 4.46Å; F92-P117 HydrophobicContact CE2-CG 4.09Å; F92-P117 HydrophobicContact CZ-CB 4.41Å; F92-P117 HydrophobicContact CZ-CG 4.21Å; F92-P117 WeakPolarHBondContact O-CG 3.36Å; A94-P117 HydrophobicContact CB-CG 4.19Å; P117-L119 PolarHBondContact O-N 3.08Å; P117-L120 WeakPolarHBondContact O-CB 3.39Å; P117-L120 PolarHBondContact O-N 3.28Å; P117-E121 PolarHBondContact O-N 2.93Å; P117-E121 VanDerWaalsContact O-N 3.09Å
118	R	98	Very high	98.1	Very high	67 Å²	67	30.9 Å²	30.9	25%	0.253	15%	0.148	S	C	.	.	H	α-helix	trans	-53.4	-37.4	177.1	-167.5	-175.7	-169.9	83.3	5.8	113.6	S116 L120 E121 Q122 D193 E197	S116-R118 PolarHBondContact O-N 3.11Å; R118-L120 VanDerWaalsContact C-N 3.27Å; R118-L120 PolarHBondContact O-N 3.36Å; R118-E121 PolarHBondContact O-N 3.27Å; R118-Q122 HydrophobicContact CG-CG 4.09Å; R118-Q122 WeakPolarHBondContact O-CB 3.46Å; R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.78Å; R118-D193 WeakPolarHBondContact CB-OD2 3.26Å; R118-D193 VanDerWaalsContact CD-CG 3.48Å; R118-D193 WeakPolarHBondContact CD-OD1 3.06Å; R118-E197 IonicContact CZ-OE1 3.75Å; R118-E197 IonicContact NH1-OE1 2.73Å; R118-E197 PolarHBondContact NH1-OE1 3.32Å; R118-E197 IonicContact NH2-OE1 3.89Å
119	L	98.6	Very high	98.2	Very high	30 Å²	30	30 Å²	30	16%	0.157	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-34.2	179.6	-169.3	68.4	0	0	0	112.1	S116 P117 E123 M125 E127	S116-L119 PolarHBondContact O-N 2.63Å; P117-L119 PolarHBondContact O-N 3.08Å; L119-E123 WeakPolarHBondContact CD1-OE1 3.34Å; L119-E123 WeakPolarHBondContact O-CB 3.46Å; L119-E123 PolarHBondContact O-N 3.23Å; L119-M125 CarbonylContact C-O 3.55Å; L119-M125 HydrophobicContact CD2-CB 4.14Å; L119-M125 HydrophobicContact CG-CB 4.05Å; L119-M125 PolarHBondContact O-N 3.04Å; L119-E127 HydrophobicContact CD2-CG 3.96Å
120	L	98.6	Very high	98.3	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-74.1	-40.6	174.6	175.3	74.6	0	0	0	110.9	V85 F90 F92 P117 R118 Q122 R124 M125 I126	V85-L120 HydrophobicContact CB-CD1 3.96Å; V85-L120 HydrophobicContact CG1-CD1 4.47Å; V85-L120 HydrophobicContact CG2-CD1 4.06Å; F90-L120 HydrophobicContact CD1-CD1 4.15Å; F90-L120 HydrophobicContact CD1-CD2 3.76Å; F90-L120 HydrophobicContact CE1-CD2 4.21Å; F90-L120 WeakPolarHBondContact O-CD2 3.37Å; F92-L120 HydrophobicContact CD1-CD2 3.68Å; F92-L120 HydrophobicContact CE1-CB 3.95Å; F92-L120 HydrophobicContact CE1-CD2 3.94Å; P117-L120 WeakPolarHBondContact O-CB 3.39Å; P117-L120 PolarHBondContact O-N 3.28Å; R118-L120 VanDerWaalsContact C-N 3.27Å; R118-L120 PolarHBondContact O-N 3.36Å; L120-Q122 PolarHBondContact O-N 3.17Å; L120-R124 WeakPolarHBondContact O-CA 3.28Å; L120-R124 WeakPolarHBondContact O-CD 3.25Å; L120-R124 PolarHBondContact O-N 3.44Å; L120-M125 WeakPolarHBondContact CA-O 3.12Å; L120-M125 PolarHBondContact N-O 3.41Å; L120-I126 HydrophobicContact CB-CG2 4.27Å; L120-I126 HydrophobicContact CD1-CG2 4.11Å
121	E	97.8	Very high	98.4	Very high	137 Å²	137	33.9 Å²	33.9	64%	0.64	16%	0.157	S	C	*	.	H	α-helix	trans	-62.4	-41.8	176.6	-66.9	165.3	-173.3	0	0	112.4	P117 R118	P117-E121 PolarHBondContact O-N 2.93Å; P117-E121 VanDerWaalsContact O-N 3.09Å; R118-E121 PolarHBondContact O-N 3.27Å
122	Q	97.6	Very high	98.4	Very high	124 Å²	124	37.5 Å²	37.5	58%	0.579	17%	0.17	S	C	*	.	H	α-helix	trans	-88	-37	-174.1	-63.8	-168.5	-74.4	0	0	114	R118 L120	R118-Q122 HydrophobicContact CG-CG 4.09Å; R118-Q122 WeakPolarHBondContact O-CB 3.46Å; R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.78Å; L120-Q122 PolarHBondContact O-N 3.17Å
123	E	98.3	Very high	98.2	Very high	100 Å²	100	40.1 Å²	40.1	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-124.5	-0	-172	-64.1	-175.9	-116.3	0	0	113.7	R82 L119 M125	R82-E123 IonicContact CZ-OE2 2.79Å; R82-E123 IonicContact NH1-OE2 3.76Å; R82-E123 PolarHBondContact NH1-OE2 3.15Å; R82-E123 IonicContact NH2-OE1 3.21Å; R82-E123 PolarHBondContact NH2-OE1 2.79Å; R82-E123 IonicContact NH2-OE2 3.74Å; R82-E123 PolarHBondContact NH2-OE2 2.99Å; L119-E123 WeakPolarHBondContact CD1-OE1 3.34Å; L119-E123 WeakPolarHBondContact O-CB 3.46Å; L119-E123 PolarHBondContact O-N 3.23Å; E123-M125 HydrophobicContact CB-CB 4.34Å; E123-M125 HydrophobicContact CB-CG 3.83Å; E123-M125 WeakPolarHBondContact O-CG 3.38Å; E123-M125 PolarHBondContact O-N 3.44Å
124	R	98.3	Very high	98	Very high	46 Å²	46	46.6 Å²	46.6	17%	0.174	22%	0.22	C	C	.	.	S	Bend	trans	55.7	25.1	-168	-56.9	-53	-51.4	178.8	5.6	113.8	L84 V85 D87 Q88 F90 L120	L84-R124 HydrophobicContact CD1-CB 3.91Å; V85-R124 PolarHBondContact N-O 3.48Å; D87-R124 PolarHBondContact O-NH2 2.69Å; Q88-R124 PolarHBondContact O-NH1 3.19Å; Q88-R124 PolarHBondContact O-NH2 3.04Å; Q88-R124 VanDerWaalsContact O-NH2 3.14Å; F90-R124 PolarHBondContact O-NH2 3.5Å; L120-R124 WeakPolarHBondContact O-CA 3.28Å; L120-R124 WeakPolarHBondContact O-CD 3.25Å; L120-R124 PolarHBondContact O-N 3.44Å
125	M	98.5	Very high	97.8	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.069	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141	-177.4	-58.4	-63.2	-103.2	0	0	113.1	C69 R82 L83 L84 L119 L120 E123	C69-M125 HydrophobicContact CB-CE 3.56Å; R82-M125 HydrophobicContact CB-CE 4.4Å; R82-M125 HydrophobicContact CG-CB 4.43Å; R82-M125 HydrophobicContact CG-CE 3.68Å; L83-M125 CarbonylContact O-C 3.6Å; L83-M125 VanDerWaalsContact O-CA 3.29Å; L83-M125 WeakPolarHBondContact O-CA 3.41Å; L84-M125 WeakPolarHBondContact CA-SD 3.33Å; L84-M125 HydrophobicContact CB-CE 4.43Å; L84-M125 HydrophobicContact CB-SD 3.59Å; L84-M125 VanDerWaalsContact CB-SD 3.59Å; L84-M125 HydrophobicContact CD1-SD 3.7Å; L84-M125 HydrophobicContact CG-SD 4.26Å; L119-M125 CarbonylContact C-O 3.55Å; L119-M125 HydrophobicContact CD2-CB 4.14Å; L119-M125 HydrophobicContact CG-CB 4.05Å; L119-M125 PolarHBondContact O-N 3.04Å; L120-M125 WeakPolarHBondContact CA-O 3.12Å; L120-M125 PolarHBondContact N-O 3.41Å; E123-M125 HydrophobicContact CB-CB 4.34Å; E123-M125 HydrophobicContact CB-CG 3.83Å; E123-M125 WeakPolarHBondContact O-CG 3.38Å; E123-M125 PolarHBondContact O-N 3.44Å
126	I	98.8	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.1	161.7	65.2	175.1	0	0	0	111.2	L83 V85 F92 V98 I113 S115 L120	L83-I126 HydrophobicContact CB-CG1 3.92Å; L83-I126 HydrophobicContact CD1-CD1 4.25Å; L83-I126 HydrophobicContact CD1-CG1 4.16Å; L83-I126 HydrophobicContact CG-CG1 4.47Å; L83-I126 PolarHBondContact N-O 3.28Å; L83-I126 PolarHBondContact O-N 2.76Å; V85-I126 HydrophobicContact CG2-CD1 4.15Å; V85-I126 HydrophobicContact CG2-CG1 3.93Å; V85-I126 HydrophobicContact CG2-CG2 4.24Å; F92-I126 HydrophobicContact CD1-CG2 4.27Å; F92-I126 HydrophobicContact CE1-CG2 3.78Å; F92-I126 HydrophobicContact CZ-CG2 4.47Å; V98-I126 HydrophobicContact CG1-CD1 4.08Å; I113-I126 HydrophobicContact CG2-CB 4.28Å; S115-I126 WeakPolarHBondContact OG-CA 3.34Å; L120-I126 HydrophobicContact CB-CG2 4.27Å; L120-I126 HydrophobicContact CD1-CG2 4.11Å
127	E	98.9	Very high	97.7	Very high	41 Å²	41	51.4 Å²	51.4	19%	0.192	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.1	176	-65.3	179.7	171.2	0	0	111.6	L81 R82 I113 C114 S115 L119 R189	L81-E127 WeakPolarHBondContact O-CA 3.31Å; R82-E127 HydrophobicContact CG-CG 4.14Å; I113-E127 WeakPolarHBondContact CA-O 3.1Å; C114-E127 PolarHBondContact N-O 3.41Å; C114-E127 VanDerWaalsContact SG-C 3.56Å; C114-E127 PolarHBondContact SG-O 3Å; C114-E127 VanDerWaalsContact SG-O 3.37Å; S115-E127 PolarHBondContact OG-N 2.69Å; L119-E127 HydrophobicContact CD2-CG 3.96Å; E127-R189 IonicContact OE2-CZ 3.58Å; E127-R189 IonicContact OE2-NH1 3.05Å; E127-R189 PolarHBondContact OE2-NH1 3.39Å; E127-R189 IonicContact OE2-NH2 2.92Å; E127-R189 PolarHBondContact OE2-NH2 2.63Å; E127-R189 VanDerWaalsContact OE2-NH2 3.16Å
128	L	98.8	Very high	97.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.6	171.9	-54.3	-179	0	0	0	109.5	S80 L81 L83 V98 F100 F111 I113 V130	S80-L128 CarbonylContact C-O 3.59Å; S80-L128 VanDerWaalsContact CA-O 3.23Å; S80-L128 WeakPolarHBondContact CA-O 3.49Å; L81-L128 PolarHBondContact N-O 2.89Å; L81-L128 PolarHBondContact O-N 3.06Å; L83-L128 HydrophobicContact CD1-CD1 3.69Å; L83-L128 HydrophobicContact CD1-CG 4.06Å; V98-L128 HydrophobicContact CG2-CD1 4.09Å; V98-L128 HydrophobicContact CG2-CD2 3.92Å; F100-L128 HydrophobicContact CD2-CD1 3.84Å; F100-L128 HydrophobicContact CE2-CD1 3.89Å; F111-L128 HydrophobicContact CB-CD1 4.09Å; F111-L128 HydrophobicContact CB-CD2 4.18Å; F111-L128 HydrophobicContact CD2-CD1 4.14Å; I113-L128 HydrophobicContact CG1-CD2 4.21Å; L128-V130 HydrophobicContact CB-CG2 4.45Å
129	A	98.4	Very high	97.7	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	108.4	166.9	0	0	0	0	0	111.5	V78 N182 L223 F224	V78-A129 HydrophobicContact CG1-CB 3.83Å; A129-N182 PolarHBondContact O-ND2 3.49Å; A129-L223 HydrophobicContact CB-CD1 4.49Å; A129-F224 HydrophobicContact CB-CE2 4.11Å; A129-F224 HydrophobicContact CB-CZ 3.56Å
130	V	98.4	Very high	97.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.7	-167.9	179.3	0	0	0	0	110	V78 K79 F111 L128 A138 V141 H142	V78-V130 WeakPolarHBondContact CA-O 3.48Å; K79-V130 PolarHBondContact N-O 3.2Å; K79-V130 PolarHBondContact O-N 2.85Å; F111-V130 HydrophobicContact CD1-CG1 4.22Å; F111-V130 HydrophobicContact CD1-CG2 3.82Å; F111-V130 HydrophobicContact CD2-CG2 4.03Å; F111-V130 HydrophobicContact CE1-CB 4.29Å; F111-V130 HydrophobicContact CE1-CG1 3.53Å; F111-V130 HydrophobicContact CE1-CG2 3.87Å; F111-V130 HydrophobicContact CE2-CG2 4.06Å; F111-V130 HydrophobicContact CG-CG2 3.91Å; F111-V130 HydrophobicContact CZ-CG1 3.71Å; F111-V130 HydrophobicContact CZ-CG2 3.98Å; L128-V130 HydrophobicContact CB-CG2 4.45Å; V130-A138 HydrophobicContact CG1-CB 3.96Å; V130-V141 HydrophobicContact CB-CB 4.38Å; V130-V141 HydrophobicContact CB-CG1 3.82Å; V130-V141 HydrophobicContact CG1-CB 4.16Å; V130-V141 HydrophobicContact CG1-CG1 4.13Å; V130-V141 HydrophobicContact CG1-CG2 4.46Å; V130-V141 HydrophobicContact CG2-CG1 4.09Å; V130-V141 HydrophobicContact CG2-CG2 4.35Å; V130-H142 PolarHBondContact O-NE2 2.74Å
131	K	97.7	Very high	97.6	Very high	92 Å²	92	50 Å²	50	40%	0.4	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138	173	-165.9	167.9	-177.6	153	0	111.6	S77 V78 T133 V179	S77-K131 CarbonylContact O-C 3.25Å; S77-K131 WeakPolarHBondContact O-CA 3.26Å; S77-K131 WeakPolarHBondContact O-CG 3.47Å; S77-K131 WeakPolarHBondContact OG-CE 3.48Å; V78-K131 HydrophobicContact CG2-CB 4.2Å; V78-K131 HydrophobicContact CG2-CG 4.16Å; K131-T133 PolarHBondContact O-N 2.89Å; K131-V179 HydrophobicContact CB-CG1 3.85Å; K131-V179 HydrophobicContact CB-CG2 4.49Å; K131-V179 HydrophobicContact CD-CG1 4.34Å; K131-V179 HydrophobicContact CG-CG1 4.48Å
132	Y	97.6	Very high	97.7	Very high	97 Å²	97	45.2 Å²	45.2	38%	0.38	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-58.6	122.6	167.9	-174.9	-83.9	0	0	0	110.2	S77 L139 H142	S77-Y132 PolarHBondContact O-N 3.02Å; Y132-L139 HydrophobicContact CE2-CD2 4.19Å; Y132-L139 WeakPolarHBondContact OH-CD2 3.37Å; Y132-H142 HydrophobicContact CD2-CB 3.7Å; Y132-H142 AromaticContact CD2-CG 3.68Å; Y132-H142 AromaticContact CD2-ND1 3.86Å; Y132-H142 HydrophobicContact CE2-CB 4.22Å; Y132-H142 PolarHBondContact N-NE2 2.88Å
133	T	95.5	Very high	97.7	Very high	62 Å²	62	44.5 Å²	44.5	38%	0.38	22%	0.219	S	C	.	.			trans	-150.1	165.1	170.8	66.1	0	0	0	0	108.2	K131 H135 A138 L139	K131-T133 PolarHBondContact O-N 2.89Å; T133-H135 PolarHBondContact O-N 3.15Å; T133-H135 VanDerWaalsContact OG1-CB 3.29Å; T133-H135 WeakPolarHBondContact OG1-CB 3.46Å; T133-H135 PolarHBondContact OG1-N 2.62Å; T133-A138 WeakPolarHBondContact OG1-CB 3.48Å; T133-L139 WeakPolarHBondContact O-CG 3.18Å
134	N	94.8	Very high	97.6	Very high	136 Å²	136	43.8 Å²	43.8	73%	0.727	22%	0.221	S	C	*	.	S	Bend	trans	-74.8	15.9	173.5	-62	-9.4	0	0	0	113.5
135	H	94.4	Very high	97.6	Very high	59 Å²	59	42.1 Å²	42.1	27%	0.273	22%	0.216	S	C	.	.	S	Bend	trans	-76.5	129.5	172.7	-171.6	-128.6	0	0	0	109.2	V107 T133 A138 L139	V107-H135 WeakPolarHBondContact CG1-NE2 3.41Å; T133-H135 PolarHBondContact O-N 3.15Å; T133-H135 VanDerWaalsContact OG1-CB 3.29Å; T133-H135 WeakPolarHBondContact OG1-CB 3.46Å; T133-H135 PolarHBondContact OG1-N 2.62Å; H135-A138 HydrophobicContact CB-CB 4.23Å; H135-A138 WeakPolarHBondContact O-CA 3.44Å; H135-A138 WeakPolarHBondContact O-CB 3.4Å; H135-A138 PolarHBondContact O-N 2.65Å; H135-L139 PolarHBondContact O-N 2.86Å
136	P	97.1	Very high	97.6	Very high	54 Å²	54	45.6 Å²	45.6	35%	0.351	24%	0.238	S	C	.	.	H	α-helix	trans	-56.3	-41.7	-168.9	-24.4	32.9	0	0	0	115.3	V105 V107 A138 L139 W140	V105-P136 HydrophobicContact CG1-CB 3.9Å; V107-P136 HydrophobicContact CB-CB 4.45Å; V107-P136 HydrophobicContact CB-CG 4.37Å; V107-P136 HydrophobicContact CG2-CG 4.19Å; P136-A138 VanDerWaalsContact C-N 3.35Å; P136-A138 PolarHBondContact O-N 2.88Å; P136-L139 PolarHBondContact O-N 2.95Å; P136-W140 WeakPolarHBondContact O-CB 3.36Å; P136-W140 PolarHBondContact O-N 2.86Å
137	P	97.6	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-39.1	171.4	-28.4	37.4	0	0	0	114.2	I102 V107 F111 W140 V141	I102-P137 HydrophobicContact CD1-CB 3.89Å; I102-P137 HydrophobicContact CD1-CG 4.49Å; V107-P137 HydrophobicContact CB-CG 4.43Å; V107-P137 HydrophobicContact CG1-CG 4.07Å; V107-P137 VanDerWaalsContact O-CG 3.31Å; V107-P137 WeakPolarHBondContact O-CG 3.35Å; F111-P137 HydrophobicContact CE2-CB 4.24Å; F111-P137 HydrophobicContact CZ-CB 3.94Å; P137-W140 PolarHBondContact O-N 3.01Å; P137-V141 WeakPolarHBondContact O-CG2 3.35Å; P137-V141 PolarHBondContact O-N 3.21Å
138	A	97.5	Very high	97.5	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-72.5	-39.8	178.6	0	0	0	0	0	112	V130 T133 H135 P136 W140 V141 H142	V130-A138 HydrophobicContact CG1-CB 3.96Å; T133-A138 WeakPolarHBondContact OG1-CB 3.48Å; H135-A138 HydrophobicContact CB-CB 4.23Å; H135-A138 WeakPolarHBondContact O-CA 3.44Å; H135-A138 WeakPolarHBondContact O-CB 3.4Å; H135-A138 PolarHBondContact O-N 2.65Å; P136-A138 VanDerWaalsContact C-N 3.35Å; P136-A138 PolarHBondContact O-N 2.88Å; A138-W140 VanDerWaalsContact C-N 3.33Å; A138-V141 PolarHBondContact O-N 2.87Å; A138-H142 PolarHBondContact O-CD2 2.91Å; A138-H142 VanDerWaalsContact O-CD2 3.28Å; A138-H142 PolarHBondContact O-N 3.32Å
139	L	97.8	Very high	97.5	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-56.9	-47	170.5	-80.3	162.8	0	0	0	111.1	Y132 T133 H135 P136 H142 N143	Y132-L139 HydrophobicContact CE2-CD2 4.19Å; Y132-L139 WeakPolarHBondContact OH-CD2 3.37Å; T133-L139 WeakPolarHBondContact O-CG 3.18Å; H135-L139 PolarHBondContact O-N 2.86Å; P136-L139 PolarHBondContact O-N 2.95Å; L139-H142 PolarHBondContact O-N 3.13Å; L139-N143 VanDerWaalsContact O-CB 3.32Å; L139-N143 WeakPolarHBondContact O-CB 3.49Å; L139-N143 PolarHBondContact O-N 2.79Å
140	W	98.4	Very high	97.5	Very high	33 Å²	33	60.6 Å²	60.6	13%	0.125	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-47.2	178.4	-177.9	92	0	0	0	111.6	F100 I102 P136 P137 A138 H142 N143 T144 C145 V151	F100-W140 HydrophobicContact CE1-CE3 4.21Å; F100-W140 AromaticContact CE1-CZ3 3.95Å; F100-W140 HydrophobicContact CE1-CZ3 3.95Å; F100-W140 HydrophobicContact CZ-CZ3 4.13Å; I102-W140 HydrophobicContact CD1-CB 4.04Å; I102-W140 HydrophobicContact CD1-CD2 3.87Å; I102-W140 HydrophobicContact CD1-CE3 3.67Å; I102-W140 HydrophobicContact CD1-CG 4.03Å; I102-W140 HydrophobicContact CD1-CZ3 4.44Å; I102-W140 HydrophobicContact CG1-CD2 4.23Å; I102-W140 HydrophobicContact CG1-CE3 3.98Å; I102-W140 HydrophobicContact CG1-CZ3 4.31Å; I102-W140 HydrophobicContact CG2-CD2 3.59Å; I102-W140 VanDerWaalsContact CG2-CE2 3.44Å; I102-W140 HydrophobicContact CG2-CE3 4.14Å; I102-W140 HydrophobicContact CG2-CG 3.88Å; I102-W140 HydrophobicContact CG2-CH2 4.42Å; I102-W140 HydrophobicContact CG2-CZ2 3.9Å; P136-W140 WeakPolarHBondContact O-CB 3.36Å; P136-W140 PolarHBondContact O-N 2.86Å; P137-W140 PolarHBondContact O-N 3.01Å; A138-W140 VanDerWaalsContact C-N 3.33Å; W140-H142 VanDerWaalsContact C-N 3.25Å; W140-H142 PolarHBondContact O-N 3.49Å; W140-N143 PolarHBondContact O-N 3.33Å; W140-T144 CarbonylContact O-C 3.55Å; W140-T144 WeakPolarHBondContact O-CA 3.16Å; W140-T144 PolarHBondContact O-N 2.82Å; W140-C145 HydrophobicContact CD2-CB 4.31Å; W140-C145 HydrophobicContact CE3-CB 3.81Å; W140-C145 HydrophobicContact CH2-CB 3.78Å; W140-C145 HydrophobicContact CZ2-CB 4.28Å; W140-C145 HydrophobicContact CZ3-CB 3.52Å; W140-C145 PolarHBondContact O-N 3.31Å; W140-V151 HydrophobicContact CH2-CG1 3.74Å; W140-V151 HydrophobicContact CZ3-CG1 4.02Å
141	V	98.4	Very high	97.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.4	-39.1	175.8	169.7	0	0	0	0	111.8	K79 L81 F100 F111 V130 P137 A138 C145	K79-V141 HydrophobicContact CD-CG1 4.29Å; K79-V141 WeakPolarHBondContact CD-O 3.44Å; K79-V141 WeakPolarHBondContact CE-O 3.37Å; K79-V141 PolarHBondContact NZ-O 3.02Å; L81-V141 HydrophobicContact CD1-CB 4.47Å; L81-V141 HydrophobicContact CD1-CG1 3.78Å; L81-V141 HydrophobicContact CD1-CG2 3.89Å; L81-V141 HydrophobicContact CD2-CG1 4.26Å; L81-V141 HydrophobicContact CG-CG1 4.05Å; F100-V141 HydrophobicContact CE1-CG2 4.1Å; F100-V141 HydrophobicContact CZ-CG2 4.49Å; F111-V141 HydrophobicContact CE2-CG2 4.49Å; V130-V141 HydrophobicContact CB-CB 4.38Å; V130-V141 HydrophobicContact CB-CG1 3.82Å; V130-V141 HydrophobicContact CG1-CB 4.16Å; V130-V141 HydrophobicContact CG1-CG1 4.13Å; V130-V141 HydrophobicContact CG1-CG2 4.46Å; V130-V141 HydrophobicContact CG2-CG1 4.09Å; V130-V141 HydrophobicContact CG2-CG2 4.35Å; P137-V141 WeakPolarHBondContact O-CG2 3.35Å; P137-V141 PolarHBondContact O-N 3.21Å; A138-V141 PolarHBondContact O-N 2.87Å; V141-C145 WeakPolarHBondContact O-CB 3.22Å
142	H	98.4	Very high	97.5	Very high	36 Å²	36	57.6 Å²	57.6	17%	0.167	31%	0.308	C	S	.	.	H	α-helix	trans	-79	-40	-178.9	-83	-98.7	0	0	0	114	K79 V130 Y132 A138 L139 W140	K79-H142 PolarHBondContact N-CE1 2.78Å; K79-H142 PolarHBondContact NZ-O 3.23Å; V130-H142 PolarHBondContact O-NE2 2.74Å; Y132-H142 HydrophobicContact CD2-CB 3.7Å; Y132-H142 AromaticContact CD2-CG 3.68Å; Y132-H142 AromaticContact CD2-ND1 3.86Å; Y132-H142 HydrophobicContact CE2-CB 4.22Å; Y132-H142 PolarHBondContact N-NE2 2.88Å; A138-H142 PolarHBondContact O-CD2 2.91Å; A138-H142 VanDerWaalsContact O-CD2 3.28Å; A138-H142 PolarHBondContact O-N 3.32Å; L139-H142 PolarHBondContact O-N 3.13Å; W140-H142 VanDerWaalsContact C-N 3.25Å; W140-H142 PolarHBondContact O-N 3.49Å
143	N	97.6	Very high	97.6	Very high	109 Å²	109	53 Å²	53	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-112.2	-15.8	-165	-58.4	-12.5	0	0	0	114.9	L139 W140	L139-N143 VanDerWaalsContact O-CB 3.32Å; L139-N143 WeakPolarHBondContact O-CB 3.49Å; L139-N143 PolarHBondContact O-N 2.79Å; W140-N143 PolarHBondContact O-N 3.33Å
144	T	97.7	Very high	97.7	Very high	85 Å²	85	52.9 Å²	52.9	52%	0.521	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-33	-169.7	-49.3	0	0	0	0	113.2	W140 T146	W140-T144 CarbonylContact O-C 3.55Å; W140-T144 WeakPolarHBondContact O-CA 3.16Å; W140-T144 PolarHBondContact O-N 2.82Å; T144-T146 PolarHBondContact O-N 3.16Å
145	C	97.6	Very high	97.9	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.068	25%	0.248	C	C	.	.			trans	-60.5	123.9	177.1	-177.7	0	0	0	0	111.5	W140 V141	W140-C145 HydrophobicContact CD2-CB 4.31Å; W140-C145 HydrophobicContact CE3-CB 3.81Å; W140-C145 HydrophobicContact CH2-CB 3.78Å; W140-C145 HydrophobicContact CZ2-CB 4.28Å; W140-C145 HydrophobicContact CZ3-CB 3.52Å; W140-C145 PolarHBondContact O-N 3.31Å; V141-C145 WeakPolarHBondContact O-CB 3.22Å
146	T	97.5	Very high	98	Very high	87 Å²	87	43.6 Å²	43.6	53%	0.534	24%	0.235	S	C	.	.			trans	-118.8	174.8	173.9	59.3	0	0	0	0	110.4	V68 T144 S149	V68-T146 WeakPolarHBondContact CB-O 3.34Å; V68-T146 WeakPolarHBondContact CG1-O 3.43Å; T144-T146 PolarHBondContact O-N 3.16Å; T146-S149 PolarHBondContact N-OG 2.96Å; T146-S149 VanDerWaalsContact N-OG 3.08Å; T146-S149 WeakPolarHBondContact O-CB 3.48Å; T146-S149 PolarHBondContact O-N 2.84Å; T146-S149 PolarHBondContact O-OG 3.13Å; T146-S149 VanDerWaalsContact O-OG 3.1Å; T146-S149 PolarHBondContact OG1-OG 2.95Å; T146-S149 VanDerWaalsContact OG1-OG 3.13Å
147	L	98	Very high	97.8	Very high	103 Å²	103	41.1 Å²	41.1	54%	0.539	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	151.6	160.1	-63.7	178.3	0	0	0	110.1	S149	L147-S149 PolarHBondContact O-N 3.09Å
148	D	97.8	Very high	97.7	Very high	99 Å²	99	47.4 Å²	47.4	53%	0.529	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	3.5	-177.1	-62.4	-56.6	0	0	0	116.2	K67 V68 E150	K67-D148 HydrophobicContact CD-CB 4.5Å; K67-D148 WeakPolarHBondContact CE-O 3.45Å; K67-D148 VanDerWaalsContact CE-OD1 3.24Å; K67-D148 WeakPolarHBondContact CE-OD1 3.22Å; K67-D148 IonicContact NZ-OD1 3.59Å; K67-D148 PolarHBondContact NZ-OD1 2.87Å; V68-D148 PolarHBondContact O-N 2.7Å; D148-E150 PolarHBondContact O-N 2.85Å
149	S	98.4	Very high	97.6	Very high	18 Å²	18	48 Å²	48	13%	0.126	25%	0.251	C	S	.	.			trans	-59.2	132.1	171.5	-70.7	0	0	0	0	111.2	V68 T146 L147	V68-S149 WeakPolarHBondContact CG2-O 3.39Å; V68-S149 PolarHBondContact N-O 3.04Å; T146-S149 PolarHBondContact N-OG 2.96Å; T146-S149 VanDerWaalsContact N-OG 3.08Å; T146-S149 WeakPolarHBondContact O-CB 3.48Å; T146-S149 PolarHBondContact O-N 2.84Å; T146-S149 PolarHBondContact O-OG 3.13Å; T146-S149 VanDerWaalsContact O-OG 3.1Å; T146-S149 PolarHBondContact OG1-OG 2.95Å; T146-S149 VanDerWaalsContact OG1-OG 3.13Å; L147-S149 PolarHBondContact O-N 3.09Å
150	E	98.4	Very high	97.6	Very high	138 Å²	138	48.6 Å²	48.6	65%	0.645	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	137	179.8	-62.3	-175	158.5	0	0	111.5	P103 D148	P103-E150 WeakPolarHBondContact CD-O 3.48Å; D148-E150 PolarHBondContact O-N 2.85Å
151	V	98.6	Very high	97.6	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	172.8	178.2	-65.7	0	0	0	0	109.1	A66 F100 F101 I102 W140	A66-V151 HydrophobicContact CB-CG2 4.18Å; A66-V151 PolarHBondContact N-O 3.29Å; A66-V151 WeakPolarHBondContact O-CG2 3.45Å; A66-V151 PolarHBondContact O-N 3.48Å; F100-V151 HydrophobicContact CE1-CG1 4.01Å; F100-V151 HydrophobicContact CE2-CB 4.26Å; F100-V151 HydrophobicContact CE2-CG1 4.34Å; F100-V151 HydrophobicContact CE2-CG2 3.81Å; F100-V151 HydrophobicContact CZ-CB 4.11Å; F100-V151 HydrophobicContact CZ-CG1 3.7Å; F100-V151 HydrophobicContact CZ-CG2 3.98Å; F101-V151 WeakPolarHBondContact O-CA 3.44Å; F101-V151 WeakPolarHBondContact O-CB 3.31Å; I102-V151 HydrophobicContact CG1-CG1 4.27Å; W140-V151 HydrophobicContact CH2-CG1 3.74Å; W140-V151 HydrophobicContact CZ3-CG1 4.02Å
152	A	98.7	Very high	97.5	Very high	24 Å²	24	50 Å²	50	20%	0.198	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153	163.9	0	0	0	0	0	111	V63 S64 F101	V63-A152 HydrophobicContact CG1-CB 3.99Å; S64-A152 CarbonylContact O-C 3.47Å; S64-A152 WeakPolarHBondContact O-CA 3.46Å; S64-A152 WeakPolarHBondContact O-CB 3.49Å; F101-A152 HydrophobicContact CB-CB 4.13Å; F101-A152 HydrophobicContact CD2-CB 4.28Å; F101-A152 WeakPolarHBondContact CD2-O 3Å; F101-A152 PolarHBondContact N-O 2.9Å; F101-A152 PolarHBondContact O-N 3.33Å
153	V	98.6	Very high	97.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.8	-177.6	-70.4	0	0	0	0	111.6	S64 A66 L83 F90 V98 D99 F100	S64-V153 PolarHBondContact N-O 3.28Å; S64-V153 PolarHBondContact O-N 2.64Å; A66-V153 HydrophobicContact CB-CG2 4.01Å; L83-V153 HydrophobicContact CD1-CG1 4.4Å; F90-V153 HydrophobicContact CE2-CB 4.33Å; F90-V153 HydrophobicContact CE2-CG2 3.73Å; F90-V153 HydrophobicContact CZ-CB 4.39Å; F90-V153 HydrophobicContact CZ-CG2 3.83Å; V98-V153 HydrophobicContact CB-CB 4.14Å; V98-V153 HydrophobicContact CB-CG1 4.21Å; V98-V153 HydrophobicContact CG1-CB 4.2Å; V98-V153 HydrophobicContact CG2-CG1 4.06Å; D99-V153 VanDerWaalsContact O-CA 3.31Å; D99-V153 WeakPolarHBondContact O-CA 3.35Å; F100-V153 HydrophobicContact CD2-CG1 3.94Å; F100-V153 HydrophobicContact CE2-CG1 4.44Å
154	R	98.4	Very high	97.3	Very high	59 Å²	59	48.6 Å²	48.6	22%	0.223	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.9	170.6	173.1	175.4	61.5	-168.3	4.7	109.8	R60 I62 V63 V98 D99 F101	R60-R154 WeakPolarHBondContact O-CD 3.38Å; R60-R154 VanDerWaalsContact O-CG 3.22Å; R60-R154 WeakPolarHBondContact O-CG 3.5Å; I62-R154 WeakPolarHBondContact O-CG 3.23Å; V63-R154 HydrophobicContact CG2-CB 4.11Å; V63-R154 HydrophobicContact CG2-CG 4.4Å; V98-R154 CarbonylContact C-O 3.33Å; V98-R154 VanDerWaalsContact CA-O 3.28Å; V98-R154 WeakPolarHBondContact CA-O 3.24Å; D99-R154 HydrophobicContact CB-CB 4.26Å; D99-R154 PolarHBondContact N-O 3.34Å; D99-R154 PolarHBondContact O-N 2.75Å; D99-R154 VanDerWaalsContact O-N 3.14Å; D99-R154 IonicContact OD2-CZ 3.53Å; D99-R154 IonicContact OD2-NE 3.48Å; D99-R154 PolarHBondContact OD2-NE 2.81Å; D99-R154 IonicContact OD2-NH2 2.69Å; D99-R154 PolarHBondContact OD2-NH2 2.95Å; F101-R154 HydrophobicContact CE2-CB 4.02Å
155	V	98.1	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.7	-177.7	-174.7	0	0	0	0	111.2	R59 R60 F90 F92 Q96 W97	R59-V155 WeakPolarHBondContact CA-O 3.48Å; R60-V155 HydrophobicContact CB-CB 4.41Å; R60-V155 HydrophobicContact CG-CB 4.15Å; R60-V155 PolarHBondContact N-O 2.86Å; F90-V155 HydrophobicContact CD2-CG2 4.43Å; F90-V155 HydrophobicContact CE1-CG2 3.82Å; F90-V155 HydrophobicContact CE2-CG2 3.66Å; F90-V155 HydrophobicContact CZ-CG2 3.31Å; F92-V155 HydrophobicContact CB-CG1 3.83Å; F92-V155 HydrophobicContact CB-CG2 3.92Å; Q96-V155 HydrophobicContact CB-CG1 3.88Å; Q96-V155 HydrophobicContact CG-CG1 4.33Å; Q96-V155 VanDerWaalsContact OE1-CG1 3.29Å; W97-V155 WeakPolarHBondContact O-CA 3.38Å
156	G	96.4	Very high	96.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	172.8	169.6	0	0	0	0	0	112.5	W97	W97-G156 VanDerWaalsContact CE2-C 3.46Å; W97-G156 PolarHBondContact N-O 3.02Å; W97-G156 VanDerWaalsContact N-O 3.08Å; W97-G156 PolarHBondContact O-N 3.12Å
157	G	94.3	Very high	96.8	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.031	29%	0.289	C	S	.	.			trans	100.7	145.7	176.6	0	0	0	0	0	114	V58 Q96 W97	V58-G157 PolarHBondContact O-N 3.38Å; Q96-G157 PolarHBondContact NE2-O 3.29Å; W97-G157 VanDerWaalsContact NE1-CA 3.28Å
158	E	94.4	Very high	96.6	Very high	131 Å²	131	51.5 Å²	51.5	61%	0.612	29%	0.291	S	S	*	.	S	Bend	trans	-110.6	2.6	179.1	-62	178.6	116.5	0	0	112	V58 F160	V58-E158 HydrophobicContact CB-CG 4.49Å; E158-F160 WeakPolarHBondContact O-CD1 3.19Å; E158-F160 PolarHBondContact O-N 3.03Å
159	F	96.9	Very high	96.5	Very high	15 Å²	15	49 Å²	49	7%	0.066	28%	0.281	C	S	.	.			trans	-81.3	94	171.4	-177.3	-101.5	0	0	0	109.6	G95 Q96 P183 L184 I187 Y281 C283 C307 F308 E309	G95-F159 CarbonylContact C-O 3.54Å; G95-F159 WeakPolarHBondContact CA-O 3.22Å; Q96-F159 PolarHBondContact N-O 3.22Å; F159-P183 HydrophobicContact CD1-CB 3.97Å; F159-P183 HydrophobicContact CD1-CG 4.31Å; F159-P183 HydrophobicContact CE1-CB 3.79Å; F159-P183 HydrophobicContact CE1-CG 3.87Å; F159-L184 HydrophobicContact CE1-CD2 4.16Å; F159-L184 HydrophobicContact CZ-CD2 3.84Å; F159-I187 HydrophobicContact CE1-CD1 4.25Å; F159-Y281 HydrophobicContact CD2-CD1 4.25Å; F159-Y281 HydrophobicContact CE1-CD1 4.37Å; F159-Y281 AromaticContact CE2-CD1 3.64Å; F159-Y281 HydrophobicContact CE2-CD1 3.64Å; F159-Y281 HydrophobicContact CE2-CG 4.42Å; F159-Y281 AromaticContact CZ-CD1 3.73Å; F159-Y281 HydrophobicContact CZ-CD1 3.73Å; F159-Y281 HydrophobicContact CZ-CG 4.35Å; F159-C283 HydrophobicContact CE1-CB 4.5Å; F159-C283 HydrophobicContact CZ-CB 4.38Å; F159-C307 HydrophobicContact CD2-CB 4.08Å; F159-C307 HydrophobicContact CE2-CB 3.94Å; F159-F308 VanDerWaalsContact CD2-C 3.49Å; F159-E309 HydrophobicContact CB-CB 4.07Å; F159-E309 HydrophobicContact CD1-CB 3.94Å; F159-E309 HydrophobicContact CD2-CB 4.01Å; F159-E309 HydrophobicContact CE1-CB 4.35Å; F159-E309 HydrophobicContact CE2-CB 4.42Å; F159-E309 HydrophobicContact CG-CB 3.74Å
160	F	98	Very high	96.5	Very high	62 Å²	62	51.5 Å²	51.5	27%	0.272	29%	0.288	S	S	.	.			trans	-150.5	163.1	177.2	58.3	-102.6	0	0	0	113.9	K93 A94 Q96 E158 D162 Y281	K93-F160 HydrophobicContact CB-CB 3.66Å; K93-F160 HydrophobicContact CB-CD1 4.22Å; K93-F160 HydrophobicContact CB-CD2 3.97Å; K93-F160 HydrophobicContact CB-CG 3.68Å; K93-F160 HydrophobicContact CD-CD1 3.96Å; K93-F160 HydrophobicContact CD-CD2 3.51Å; K93-F160 HydrophobicContact CD-CE1 3.9Å; K93-F160 HydrophobicContact CD-CE2 3.46Å; K93-F160 VanDerWaalsContact CD-CE2 3.46Å; K93-F160 HydrophobicContact CD-CG 3.79Å; K93-F160 HydrophobicContact CD-CZ 3.67Å; K93-F160 HydrophobicContact CG-CD2 4.38Å; K93-F160 HydrophobicContact CG-CG 4.39Å; A94-F160 CarbonylContact O-C 3.46Å; A94-F160 WeakPolarHBondContact O-CA 3.18Å; A94-F160 VanDerWaalsContact O-CB 3.27Å; A94-F160 WeakPolarHBondContact O-CB 3.31Å; Q96-F160 HydrophobicContact CG-CB 4.15Å; Q96-F160 HydrophobicContact CG-CD1 4.08Å; E158-F160 WeakPolarHBondContact O-CD1 3.19Å; E158-F160 PolarHBondContact O-N 3.03Å; F160-D162 HydrophobicContact CD2-CB 3.69Å; F160-D162 HydrophobicContact CE2-CB 3.98Å; F160-Y281 VanDerWaalsContact O-CE1 3.28Å; F160-Y281 WeakPolarHBondContact O-CE1 3.49Å; F160-Y281 PolarHBondContact O-OH 3.23Å
161	F	98.2	Very high	96.5	Very high	6 Å²	6	47 Å²	47	3%	0.026	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-114.8	120.9	165.3	-177.7	-113.2	0	0	0	108.7	A94 P163 L172 I187 L194 Y205 I207 L279 Y281	A94-F161 PolarHBondContact O-N 3.17Å; F161-P163 HydrophobicContact CD1-CG 4.35Å; F161-P163 HydrophobicContact CE1-CG 3.64Å; F161-P163 HydrophobicContact CE2-CB 4.26Å; F161-P163 HydrophobicContact CE2-CG 4.15Å; F161-P163 HydrophobicContact CZ-CB 4.02Å; F161-P163 HydrophobicContact CZ-CG 3.53Å; F161-L172 HydrophobicContact CD1-CD1 4.1Å; F161-L172 HydrophobicContact CD2-CD1 4.42Å; F161-L172 HydrophobicContact CD2-CD2 4.07Å; F161-L172 HydrophobicContact CE1-CD1 3.95Å; F161-L172 HydrophobicContact CE2-CD1 4.29Å; F161-L172 HydrophobicContact CE2-CD2 3.79Å; F161-L172 HydrophobicContact CG-CD1 4.33Å; F161-L172 HydrophobicContact CZ-CD1 4.04Å; F161-L172 HydrophobicContact CZ-CD2 4.21Å; F161-I187 HydrophobicContact CB-CB 4.46Å; F161-I187 HydrophobicContact CB-CD1 4.21Å; F161-I187 HydrophobicContact CB-CG1 3.94Å; F161-I187 HydrophobicContact CB-CG2 3.83Å; F161-I187 HydrophobicContact CD1-CG2 4.29Å; F161-I187 HydrophobicContact CG-CG2 4.27Å; F161-L194 HydrophobicContact CE1-CD1 4.12Å; F161-Y205 AromaticContact CZ-CE1 3.77Å; F161-Y205 HydrophobicContact CZ-CE1 3.77Å; F161-I207 HydrophobicContact CE1-CD1 3.93Å; F161-I207 HydrophobicContact CZ-CD1 4.11Å; F161-L279 HydrophobicContact CD2-CD1 4.49Å; F161-L279 HydrophobicContact CE2-CD1 4.33Å; F161-Y281 HydrophobicContact CB-CE1 4.44Å; F161-Y281 HydrophobicContact CB-CE2 4.43Å; F161-Y281 HydrophobicContact CD2-CE2 4.21Å
162	D	96.3	Very high	96.5	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	27%	0.266	S	S	.	.			trans	-151.7	66.4	-173.8	-179.9	45.8	0	0	0	110.6	K93 F160 Q164	K93-D162 HydrophobicContact CB-CB 4.26Å; K93-D162 HydrophobicContact CD-CB 3.78Å; K93-D162 VanDerWaalsContact CD-OD2 3.3Å; K93-D162 WeakPolarHBondContact CD-OD2 3.49Å; K93-D162 WeakPolarHBondContact CE-OD2 3.33Å; K93-D162 HydrophobicContact CG-CB 4.18Å; K93-D162 IonicContact NZ-OD2 3.79Å; K93-D162 PolarHBondContact NZ-OD2 3.18Å; F160-D162 HydrophobicContact CD2-CB 3.69Å; F160-D162 HydrophobicContact CE2-CB 3.98Å; D162-Q164 PolarHBondContact O-NE2 3.3Å
163	P	96.4	Very high	96.5	Very high	18 Å²	18	45.7 Å²	45.7	12%	0.117	26%	0.258	C	S	.	.			trans	-74.2	141.5	-174.9	33.7	-37.9	0	0	0	111.6	F161 L194 Y205	F161-P163 HydrophobicContact CD1-CG 4.35Å; F161-P163 HydrophobicContact CE1-CG 3.64Å; F161-P163 HydrophobicContact CE2-CB 4.26Å; F161-P163 HydrophobicContact CE2-CG 4.15Å; F161-P163 HydrophobicContact CZ-CB 4.02Å; F161-P163 HydrophobicContact CZ-CG 3.53Å; P163-L194 HydrophobicContact CG-CD1 3.78Å; P163-Y205 HydrophobicContact CB-CD1 3.7Å; P163-Y205 HydrophobicContact CB-CD2 3.64Å; P163-Y205 HydrophobicContact CB-CE1 3.75Å; P163-Y205 HydrophobicContact CB-CE2 3.69Å; P163-Y205 HydrophobicContact CB-CG 3.62Å; P163-Y205 HydrophobicContact CG-CD1 3.47Å; P163-Y205 VanDerWaalsContact CG-CD1 3.47Å; P163-Y205 HydrophobicContact CG-CD2 4.31Å; P163-Y205 HydrophobicContact CG-CE1 3.73Å; P163-Y205 HydrophobicContact CG-CG 3.78Å
164	Q	94.9	Very high	96.5	Very high	97 Å²	97	45.7 Å²	45.7	45%	0.453	26%	0.258	S	S	.	.			trans	-85.3	154.2	173.3	-55.6	-53.1	-63.2	0	0	111.1	D162 A166 D167 Y205	D162-Q164 PolarHBondContact O-NE2 3.3Å; Q164-A166 PolarHBondContact O-N 2.82Å; Q164-D167 PolarHBondContact N-OD2 3.14Å; Q164-D167 WeakPolarHBondContact O-CB 3.37Å; Q164-D167 PolarHBondContact O-N 2.89Å; Q164-Y205 WeakPolarHBondContact O-CD2 3.4Å
165	P	92.8	Very high	96.5	Very high	96 Å²	96	42.9 Å²	42.9	62%	0.623	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.4	-177.3	-28.2	36.3	0	0	0	115.9
166	A	92.8	Very high	96.6	Very high	100 Å²	100	42.9 Å²	42.9	83%	0.826	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.6	178.6	0	0	0	0	0	113.9	Q164	Q164-A166 PolarHBondContact O-N 2.82Å
167	D	95.5	Very high	96.6	Very high	82 Å²	82	43.1 Å²	43.1	44%	0.439	25%	0.25	S	C	.	.	S	Bend	trans	-69.5	146.9	-178.7	-71.8	-15.3	0	0	0	111.5	Q164 Y205	Q164-D167 PolarHBondContact N-OD2 3.14Å; Q164-D167 WeakPolarHBondContact O-CB 3.37Å; Q164-D167 PolarHBondContact O-N 2.89Å; D167-Y205 HydrophobicContact CB-CD2 4.07Å; D167-Y205 HydrophobicContact CB-CE2 3.94Å
168	A	94.7	Very high	96.8	Very high	69 Å²	69	44.3 Å²	44.3	57%	0.57	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-63	137.8	176.3	0	0	0	0	0	111.2	R170	A168-R170 PolarHBondContact O-N 2.9Å
169	S	96.4	Very high	96.9	Very high	47 Å²	47	40.4 Å²	40.4	33%	0.329	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-57.1	133.6	-179.8	-167.7	0	0	0	0	112.8	E206 G208	S169-E206 WeakPolarHBondContact CA-O 3.24Å; S169-E206 WeakPolarHBondContact CB-O 3.38Å; S169-E206 PolarHBondContact OG-O 3.05Å; S169-G208 PolarHBondContact OG-N 3.23Å
170	R	97.6	Very high	96.9	Very high	69 Å²	69	39.8 Å²	39.8	26%	0.26	25%	0.245	S	C	.	.			trans	-124.4	142.4	177.1	-57.4	-60	177.6	137.4	9.1	112.5	A168 Y205 G208 K276 E277 L279 H305	A168-R170 PolarHBondContact O-N 2.9Å; R170-Y205 WeakPolarHBondContact CB-OH 3.39Å; R170-Y205 PolarHBondContact N-OH 2.92Å; R170-G208 WeakPolarHBondContact O-CA 3.19Å; R170-G208 PolarHBondContact O-N 2.87Å; R170-K276 PolarHBondContact NH1-O 2.83Å; R170-K276 VanDerWaalsContact NH1-O 3.14Å; R170-E277 CarbonylContact C-O 3.42Å; R170-E277 WeakPolarHBondContact CA-O 3.25Å; R170-E277 WeakPolarHBondContact CB-O 3.45Å; R170-E277 VanDerWaalsContact CD-O 3.23Å; R170-E277 WeakPolarHBondContact CD-O 3.41Å; R170-L279 HydrophobicContact CB-CD1 4.05Å; R170-L279 HydrophobicContact CB-CG 4.07Å; R170-L279 HydrophobicContact CG-CD1 3.97Å; R170-L279 HydrophobicContact CG-CG 4.09Å; R170-H305 PolarHBondContact NH1-CE1 2.94Å; R170-H305 PolarHBondContact NH1-NE2 2.82Å
171	N	98.5	Very high	97	Very high	44 Å²	44	36.9 Å²	36.9	24%	0.235	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	148.2	162.7	-57.4	-42.7	0	0	0	108.9	G208 T209 E277 T278 L279	N171-G208 WeakPolarHBondContact OD1-CA 3.43Å; N171-T209 CarbonylContact C-O 3.58Å; N171-T209 VanDerWaalsContact CA-O 3.22Å; N171-T209 WeakPolarHBondContact CA-O 3.23Å; N171-T209 PolarHBondContact OD1-N 2.95Å; N171-T209 PolarHBondContact OD1-OG1 2.8Å; N171-E277 PolarHBondContact N-O 3.03Å; N171-T278 HydrophobicContact CB-CG2 4.46Å; N171-T278 CarbonylContact O-C 3.38Å; N171-T278 WeakPolarHBondContact O-CA 3.38Å; N171-L279 PolarHBondContact O-N 2.93Å
172	L	98.8	Very high	97	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.3	177.9	-58	-173.8	0	0	0	110.8	F161 L174 I187 I207 T209 I210 K211 L279 Y281	F161-L172 HydrophobicContact CD1-CD1 4.1Å; F161-L172 HydrophobicContact CD2-CD1 4.42Å; F161-L172 HydrophobicContact CD2-CD2 4.07Å; F161-L172 HydrophobicContact CE1-CD1 3.95Å; F161-L172 HydrophobicContact CE2-CD1 4.29Å; F161-L172 HydrophobicContact CE2-CD2 3.79Å; F161-L172 HydrophobicContact CG-CD1 4.33Å; F161-L172 HydrophobicContact CZ-CD1 4.04Å; F161-L172 HydrophobicContact CZ-CD2 4.21Å; L172-L174 HydrophobicContact CB-CD2 4.17Å; L172-I187 HydrophobicContact CD1-CG2 4.03Å; L172-I207 HydrophobicContact CD1-CD1 3.87Å; L172-I207 HydrophobicContact CG-CD1 4.4Å; L172-T209 PolarHBondContact N-O 2.78Å; L172-I210 HydrophobicContact CB-CB 4.45Å; L172-I210 HydrophobicContact CB-CG1 4.11Å; L172-I210 HydrophobicContact CB-CG2 4.15Å; L172-I210 HydrophobicContact CD1-CG1 4.2Å; L172-I210 HydrophobicContact CG-CG1 4.33Å; L172-I210 CarbonylContact O-C 3.46Å; L172-I210 VanDerWaalsContact O-CA 3.32Å; L172-I210 WeakPolarHBondContact O-CA 3.46Å; L172-K211 PolarHBondContact O-N 3.4Å; L172-L279 WeakPolarHBondContact CA-O 3.49Å; L172-L279 HydrophobicContact CD2-CB 3.98Å; L172-L279 HydrophobicContact CD2-CD1 4.17Å; L172-Y281 HydrophobicContact CD2-CD2 4.39Å; L172-Y281 HydrophobicContact CD2-CE2 4.03Å
173	V	98.9	Very high	97.1	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112.1	167.6	175.4	0	0	0	0	108.5	I175 K211 F213 I270 H273 T278 L279 F280 Y281	V173-I175 HydrophobicContact CG1-CD1 4.21Å; V173-I175 HydrophobicContact CG1-CG1 3.92Å; V173-K211 WeakPolarHBondContact CA-O 3.36Å; V173-F213 HydrophobicContact CG1-CD2 3.99Å; V173-F213 HydrophobicContact CG1-CE2 4.11Å; V173-I270 HydrophobicContact CG1-CD1 4.41Å; V173-H273 HydrophobicContact CG2-CB 3.6Å; V173-T278 HydrophobicContact CB-CG2 4.18Å; V173-T278 HydrophobicContact CG2-CG2 3.56Å; V173-L279 PolarHBondContact N-O 2.91Å; V173-F280 HydrophobicContact CB-CD1 3.53Å; V173-F280 HydrophobicContact CB-CE1 3.67Å; V173-F280 HydrophobicContact CB-CG 4.35Å; V173-F280 HydrophobicContact CG1-CD1 3.66Å; V173-F280 HydrophobicContact CG1-CE1 3.79Å; V173-F280 HydrophobicContact CG2-CD1 4.2Å; V173-F280 HydrophobicContact CG2-CE1 3.81Å; V173-F280 HydrophobicContact CG2-CZ 4.41Å; V173-F280 WeakPolarHBondContact O-CA 3.39Å; V173-Y281 PolarHBondContact O-N 3.24Å
174	L	98.9	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.7	-177.2	-48.6	-177.7	0	0	0	108.5	L172 L184 I187 L188 I210 K211 L212 F213 Y281	L172-L174 HydrophobicContact CB-CD2 4.17Å; L174-L184 HydrophobicContact CB-CB 4.43Å; L174-L184 HydrophobicContact CB-CD2 4.21Å; L174-L184 HydrophobicContact CD2-CD2 4.21Å; L174-I187 HydrophobicContact CD1-CG2 4.47Å; L174-I187 HydrophobicContact CD2-CG2 3.95Å; L174-L188 HydrophobicContact CD1-CB 3.95Å; L174-L188 HydrophobicContact CD1-CD1 4.35Å; L174-I210 HydrophobicContact CD1-CG2 3.96Å; L174-I210 HydrophobicContact CG-CG2 4.24Å; L174-K211 PolarHBondContact N-O 3.17Å; L174-L212 HydrophobicContact CB-CD1 3.77Å; L174-F213 PolarHBondContact O-N 3.08Å; L174-Y281 CarbonylContact C-O 3.5Å; L174-Y281 WeakPolarHBondContact CA-O 3.5Å; L174-Y281 HydrophobicContact CD2-CD2 4.25Å; L174-Y281 HydrophobicContact CD2-CG 4.34Å
175	I	98.8	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	98.5	-176.2	-51	-178	0	0	0	109.8	V173 L184 F213 I265 I270 Y281 I282 C283 M288 F292	V173-I175 HydrophobicContact CG1-CD1 4.21Å; V173-I175 HydrophobicContact CG1-CG1 3.92Å; I175-L184 VanDerWaalsContact C-CD1 3.47Å; I175-L184 WeakPolarHBondContact O-CD1 3.45Å; I175-F213 CarbonylContact C-O 3.57Å; I175-F213 WeakPolarHBondContact CA-O 3.46Å; I175-I265 HydrophobicContact CG2-CD1 4.22Å; I175-I270 HydrophobicContact CD1-CD1 3.64Å; I175-I270 HydrophobicContact CD1-CG1 4.01Å; I175-I270 HydrophobicContact CD1-CG2 4.15Å; I175-I270 HydrophobicContact CG1-CD1 4.12Å; I175-Y281 PolarHBondContact N-O 2.84Å; I175-I282 HydrophobicContact CB-CB 4.49Å; I175-I282 HydrophobicContact CB-CG1 4.27Å; I175-I282 HydrophobicContact CB-CG2 4.18Å; I175-I282 HydrophobicContact CD1-CD1 4.48Å; I175-I282 HydrophobicContact CD1-CG1 4.23Å; I175-I282 HydrophobicContact CG1-CG1 4.46Å; I175-I282 HydrophobicContact CG2-CG2 4.4Å; I175-C283 PolarHBondContact O-N 3.17Å; I175-M288 HydrophobicContact CG2-CE 4.28Å; I175-F292 HydrophobicContact CD1-CB 4.24Å; I175-F292 HydrophobicContact CD1-CD1 4.28Å; I175-F292 HydrophobicContact CD1-CG 4.11Å; I175-F292 HydrophobicContact CG2-CD2 3.71Å; I175-F292 HydrophobicContact CG2-CE2 3.87Å; I175-F292 HydrophobicContact CG2-CG 4.3Å
176	A	98.6	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.8	-172.6	0	0	0	0	0	113.1	I181 L184 L212 F213 Y214 S215 C283	A176-I181 HydrophobicContact CB-CB 4.07Å; A176-I181 HydrophobicContact CB-CD1 3.71Å; A176-I181 HydrophobicContact CB-CG1 4.48Å; A176-L184 HydrophobicContact CB-CD1 3.57Å; A176-L212 HydrophobicContact CB-CD1 4.2Å; A176-F213 PolarHBondContact N-O 3.24Å; A176-Y214 HydrophobicContact CB-CD2 3.47Å; A176-Y214 VanDerWaalsContact CB-CD2 3.47Å; A176-Y214 HydrophobicContact CB-CE2 4.23Å; A176-Y214 HydrophobicContact CB-CG 4.03Å; A176-S215 PolarHBondContact O-N 3.01Å; A176-C283 CarbonylContact C-O 3.6Å; A176-C283 WeakPolarHBondContact CA-O 3.23Å
177	G	97.9	Very high	98	Very high	5 Å²	5	19.4 Å²	19.4	5%	0.052	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114.6	172.5	0	0	0	0	0	112.7	V179 G180 S215 C283 G284	G177-V179 PolarHBondContact O-N 3.32Å; G177-G180 PolarHBondContact O-N 2.91Å; G177-S215 WeakPolarHBondContact CA-O 3.37Å; G177-C283 PolarHBondContact N-O 3.29Å; G177-G284 WeakPolarHBondContact O-CA 3.38Å
178	G	96.9	Very high	98.2	Very high	27 Å²	27	15.5 Å²	15.5	28%	0.278	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	60.8	-118.4	-180	0	0	0	0	0	112.7	G180 I181 Y214 S215	G178-G180 VanDerWaalsContact C-N 3.29Å; G178-I181 VanDerWaalsContact O-CG2 3.31Å; G178-I181 WeakPolarHBondContact O-CG2 3.35Å; G178-Y214 VanDerWaalsContact O-CE2 3.24Å; G178-Y214 WeakPolarHBondContact O-CE2 3.46Å; G178-Y214 PolarHBondContact O-OH 2.93Å; G178-S215 PolarHBondContact N-O 3.22Å
179	V	97.1	Very high	98.3	Very high	49 Å²	49	13.8 Å²	13.8	30%	0.297	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	-80.1	-5.5	174.2	-69.9	0	0	0	0	114.2	V78 K131 G177 I181 N182 L223	V78-V179 HydrophobicContact CG1-CG1 4.49Å; V78-V179 HydrophobicContact CG2-CG1 3.71Å; K131-V179 HydrophobicContact CB-CG1 3.85Å; K131-V179 HydrophobicContact CB-CG2 4.49Å; K131-V179 HydrophobicContact CD-CG1 4.34Å; K131-V179 HydrophobicContact CG-CG1 4.48Å; G177-V179 PolarHBondContact O-N 3.32Å; V179-I181 PolarHBondContact O-N 2.67Å; V179-N182 PolarHBondContact O-N 3.23Å; V179-N182 PolarHBondContact O-OD1 3.41Å; V179-L223 HydrophobicContact CG1-CD1 4.15Å
180	G	97.8	Very high	98.5	Very high	3 Å²	3	12.9 Å²	12.9	3%	0.031	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-63.9	-6.2	168.2	0	0	0	0	0	113.7	G177 G178 N182 P183 L184 C283	G177-G180 PolarHBondContact O-N 2.91Å; G178-G180 VanDerWaalsContact C-N 3.29Å; G180-N182 PolarHBondContact O-N 3Å; G180-P183 WeakPolarHBondContact O-CD 3.3Å; G180-L184 WeakPolarHBondContact O-CD1 3.31Å; G180-C283 WeakPolarHBondContact CA-O 3.41Å; G180-C283 VanDerWaalsContact CA-SG 3.55Å; G180-C283 WeakPolarHBondContact O-CB 3.47Å
181	I	98.7	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-25.6	166.6	-169.7	57.1	0	0	0	113	A176 G178 V179 L184 L185 L212 Y214 L223 F224 I228	A176-I181 HydrophobicContact CB-CB 4.07Å; A176-I181 HydrophobicContact CB-CD1 3.71Å; A176-I181 HydrophobicContact CB-CG1 4.48Å; G178-I181 VanDerWaalsContact O-CG2 3.31Å; G178-I181 WeakPolarHBondContact O-CG2 3.35Å; V179-I181 PolarHBondContact O-N 2.67Å; I181-L184 CarbonylContact O-C 3.55Å; I181-L184 PolarHBondContact O-N 2.9Å; I181-L185 HydrophobicContact CG1-CB 4.46Å; I181-L185 WeakPolarHBondContact O-CB 3.29Å; I181-L185 PolarHBondContact O-N 2.81Å; I181-L212 HydrophobicContact CD1-CD1 3.9Å; I181-L212 HydrophobicContact CD1-CD2 4Å; I181-Y214 HydrophobicContact CB-CD2 4.18Å; I181-Y214 HydrophobicContact CB-CE1 4.24Å; I181-Y214 HydrophobicContact CB-CE2 3.72Å; I181-Y214 HydrophobicContact CD1-CD1 4.09Å; I181-Y214 HydrophobicContact CD1-CD2 4.3Å; I181-Y214 HydrophobicContact CD1-CE1 4.4Å; I181-Y214 HydrophobicContact CD1-CG 4.05Å; I181-Y214 HydrophobicContact CG1-CD1 4.18Å; I181-Y214 HydrophobicContact CG1-CD2 4.45Å; I181-Y214 HydrophobicContact CG1-CE1 3.98Å; I181-Y214 HydrophobicContact CG1-CE2 4.27Å; I181-Y214 HydrophobicContact CG1-CG 4.43Å; I181-Y214 HydrophobicContact CG2-CE1 4.49Å; I181-Y214 HydrophobicContact CG2-CE2 4.18Å; I181-L223 HydrophobicContact CG2-CB 4.11Å; I181-L223 HydrophobicContact CG2-CD1 3.8Å; I181-L223 HydrophobicContact CG2-CG 4.23Å; I181-F224 HydrophobicContact CG1-CD2 4.47Å; I181-F224 HydrophobicContact CG2-CD2 4.19Å; I181-F224 HydrophobicContact CG2-CE2 4.25Å; I181-I228 HydrophobicContact CD1-CD1 4.31Å; I181-I228 HydrophobicContact CG1-CD1 4.48Å
182	N	98.7	Very high	98.5	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.037	5%	0.047	C	C	.	.	H	α-helix	trans	-55.2	-60.9	-172.9	-70.8	16	0	0	0	113.8	I113 C114 A129 V179 G180 L184 L185 S186	I113-N182 CarbonylContact O-C 3.56Å; C114-N182 WeakPolarHBondContact CA-O 3.4Å; C114-N182 HydrophobicContact CB-CB 4.15Å; A129-N182 PolarHBondContact O-ND2 3.49Å; V179-N182 PolarHBondContact O-N 3.23Å; V179-N182 PolarHBondContact O-OD1 3.41Å; G180-N182 PolarHBondContact O-N 3Å; N182-L184 PolarHBondContact O-N 2.82Å; N182-L185 PolarHBondContact O-N 2.93Å; N182-S186 PolarHBondContact O-N 3.46Å; N182-S186 VanDerWaalsContact O-N 3.13Å
183	P	98.7	Very high	98.4	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.7	-29.3	-178.7	30.4	-35.7	0	0	0	111.5	G95 F159 G180 S186 I187 C283	G95-P183 WeakPolarHBondContact O-CB 3.31Å; F159-P183 HydrophobicContact CD1-CB 3.97Å; F159-P183 HydrophobicContact CD1-CG 4.31Å; F159-P183 HydrophobicContact CE1-CB 3.79Å; F159-P183 HydrophobicContact CE1-CG 3.87Å; G180-P183 WeakPolarHBondContact O-CD 3.3Å; P183-S186 WeakPolarHBondContact O-CB 3.48Å; P183-S186 PolarHBondContact O-N 2.81Å; P183-I187 WeakPolarHBondContact O-CG1 3.41Å; P183-I187 PolarHBondContact O-N 2.86Å; P183-C283 HydrophobicContact CG-CB 4.02Å
184	L	98.8	Very high	98.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-71.2	-31.6	177.4	-62.5	176.8	0	0	0	112.5	F159 L174 I175 A176 G180 I181 N182 I187 L188 Y281 C283	F159-L184 HydrophobicContact CE1-CD2 4.16Å; F159-L184 HydrophobicContact CZ-CD2 3.84Å; L174-L184 HydrophobicContact CB-CB 4.43Å; L174-L184 HydrophobicContact CB-CD2 4.21Å; L174-L184 HydrophobicContact CD2-CD2 4.21Å; I175-L184 VanDerWaalsContact C-CD1 3.47Å; I175-L184 WeakPolarHBondContact O-CD1 3.45Å; A176-L184 HydrophobicContact CB-CD1 3.57Å; G180-L184 WeakPolarHBondContact O-CD1 3.31Å; I181-L184 CarbonylContact O-C 3.55Å; I181-L184 PolarHBondContact O-N 2.9Å; N182-L184 PolarHBondContact O-N 2.82Å; L184-I187 HydrophobicContact CD2-CD1 4.46Å; L184-L188 VanDerWaalsContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 PolarHBondContact O-N 2.84Å; L184-Y281 WeakPolarHBondContact CD2-O 3.45Å; L184-C283 HydrophobicContact CD1-CB 4.11Å; L184-C283 HydrophobicContact CG-CB 4.27Å
185	L	98.8	Very high	98.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-73	-35.3	171.8	-178.7	62.5	0	0	0	111.3	C114 I181 N182 L188 R189 F224 I228	C114-L185 HydrophobicContact CB-CD2 4.43Å; I181-L185 HydrophobicContact CG1-CB 4.46Å; I181-L185 WeakPolarHBondContact O-CB 3.29Å; I181-L185 PolarHBondContact O-N 2.81Å; N182-L185 PolarHBondContact O-N 2.93Å; L185-L188 HydrophobicContact CD1-CD2 4.28Å; L185-L188 PolarHBondContact O-N 2.98Å; L185-R189 HydrophobicContact CD1-CG 4.06Å; L185-R189 HydrophobicContact CG-CG 4.3Å; L185-R189 WeakPolarHBondContact O-CB 3.27Å; L185-R189 WeakPolarHBondContact O-CG 3.45Å; L185-R189 PolarHBondContact O-N 3.37Å; L185-F224 HydrophobicContact CD2-CB 3.65Å; L185-F224 HydrophobicContact CD2-CD1 3.77Å; L185-F224 HydrophobicContact CD2-CD2 3.3Å; L185-F224 HydrophobicContact CD2-CE1 4.15Å; L185-F224 HydrophobicContact CD2-CE2 3.72Å; L185-F224 HydrophobicContact CD2-CG 3.3Å; L185-F224 HydrophobicContact CD2-CZ 4.1Å; L185-I228 HydrophobicContact CD1-CG1 4.28Å
186	S	98.9	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.6	-48.5	170.5	-178.2	0	0	0	0	110.7	A94 G95 I113 C114 S115 N182 P183 R189 H190	A94-S186 WeakPolarHBondContact CA-OG 3.13Å; G95-S186 PolarHBondContact N-OG 3.26Å; I113-S186 WeakPolarHBondContact O-CB 3.41Å; C114-S186 PolarHBondContact O-N 3.39Å; S115-S186 VanDerWaalsContact O-CB 3.25Å; S115-S186 WeakPolarHBondContact O-CB 3.48Å; S115-S186 PolarHBondContact O-OG 2.89Å; N182-S186 PolarHBondContact O-N 3.46Å; N182-S186 VanDerWaalsContact O-N 3.13Å; P183-S186 WeakPolarHBondContact O-CB 3.48Å; P183-S186 PolarHBondContact O-N 2.81Å; S186-R189 PolarHBondContact O-N 2.88Å; S186-H190 WeakPolarHBondContact O-CB 3.33Å; S186-H190 PolarHBondContact O-N 3.32Å
187	I	98.9	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174	-67.5	170.8	0	0	0	111.4	A94 F159 F161 L172 L174 P183 L184 H190 A191 Y281	A94-I187 HydrophobicContact CB-CG1 4.26Å; A94-I187 VanDerWaalsContact O-CG1 3.26Å; A94-I187 WeakPolarHBondContact O-CG1 3.4Å; F159-I187 HydrophobicContact CE1-CD1 4.25Å; F161-I187 HydrophobicContact CB-CB 4.46Å; F161-I187 HydrophobicContact CB-CD1 4.21Å; F161-I187 HydrophobicContact CB-CG1 3.94Å; F161-I187 HydrophobicContact CB-CG2 3.83Å; F161-I187 HydrophobicContact CD1-CG2 4.29Å; F161-I187 HydrophobicContact CG-CG2 4.27Å; L172-I187 HydrophobicContact CD1-CG2 4.03Å; L174-I187 HydrophobicContact CD1-CG2 4.47Å; L174-I187 HydrophobicContact CD2-CG2 3.95Å; P183-I187 WeakPolarHBondContact O-CG1 3.41Å; P183-I187 PolarHBondContact O-N 2.86Å; L184-I187 HydrophobicContact CD2-CD1 4.46Å; I187-H190 PolarHBondContact O-N 3.25Å; I187-A191 WeakPolarHBondContact O-CB 3.49Å; I187-A191 PolarHBondContact O-N 3.44Å; I187-Y281 HydrophobicContact CD1-CD1 3.55Å; I187-Y281 HydrophobicContact CD1-CE1 3.9Å; I187-Y281 HydrophobicContact CD1-CG 4Å
188	L	98.9	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.3	-42.6	-179.6	-179	62.6	0	0	0	112.8	L174 L184 L185 A191 A192 I210 L212 L231 I239	L174-L188 HydrophobicContact CD1-CB 3.95Å; L174-L188 HydrophobicContact CD1-CD1 4.35Å; L184-L188 VanDerWaalsContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 PolarHBondContact O-N 2.84Å; L185-L188 HydrophobicContact CD1-CD2 4.28Å; L185-L188 PolarHBondContact O-N 2.98Å; L188-A191 PolarHBondContact O-N 3.04Å; L188-A192 PolarHBondContact O-N 2.82Å; L188-I210 HydrophobicContact CD1-CG2 3.75Å; L188-L212 HydrophobicContact CD2-CD2 4.15Å; L188-L231 HydrophobicContact CD2-CD1 4.23Å; L188-L231 HydrophobicContact CG-CD1 3.94Å; L188-I239 HydrophobicContact CD1-CD1 4.16Å; L188-I239 HydrophobicContact CD1-CG2 3.81Å
189	R	98.8	Very high	97.2	Very high	33 Å²	33	23 Å²	23	13%	0.125	12%	0.118	C	C	.	.	H	α-helix	trans	-65.8	-41.7	175.7	-75.3	169	163.1	-178.3	-19.9	111	C114 E127 L185 S186 A192 D193 N227 L231	C114-R189 WeakPolarHBondContact O-CD 3.29Å; C114-R189 PolarHBondContact O-NH1 3.43Å; E127-R189 IonicContact OE2-CZ 3.58Å; E127-R189 IonicContact OE2-NH1 3.05Å; E127-R189 PolarHBondContact OE2-NH1 3.39Å; E127-R189 IonicContact OE2-NH2 2.92Å; E127-R189 PolarHBondContact OE2-NH2 2.63Å; E127-R189 VanDerWaalsContact OE2-NH2 3.16Å; L185-R189 HydrophobicContact CD1-CG 4.06Å; L185-R189 HydrophobicContact CG-CG 4.3Å; L185-R189 WeakPolarHBondContact O-CB 3.27Å; L185-R189 WeakPolarHBondContact O-CG 3.45Å; L185-R189 PolarHBondContact O-N 3.37Å; S186-R189 PolarHBondContact O-N 2.88Å; R189-A192 WeakPolarHBondContact O-CB 3.36Å; R189-A192 PolarHBondContact O-N 2.88Å; R189-D193 VanDerWaalsContact O-CG 3.32Å; R189-D193 PolarHBondContact O-N 3.48Å; R189-N227 PolarHBondContact NH2-OD1 3.4Å; R189-L231 HydrophobicContact CG-CD1 4.17Å
190	H	98.7	Very high	96.9	Very high	28 Å²	28	27.2 Å²	27.2	13%	0.13	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-40.1	175.9	-177.5	48	0	0	0	112.4	A94 S186 I187 A192 D193 L194	A94-H190 HydrophobicContact CB-CB 3.5Å; A94-H190 VanDerWaalsContact CB-CB 3.5Å; S186-H190 WeakPolarHBondContact O-CB 3.33Å; S186-H190 PolarHBondContact O-N 3.32Å; I187-H190 PolarHBondContact O-N 3.25Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 3.28Å; H190-D193 WeakPolarHBondContact O-CB 2.96Å; H190-D193 PolarHBondContact O-N 3Å; H190-L194 WeakPolarHBondContact O-CG 3.35Å; H190-L194 PolarHBondContact O-N 3.26Å
191	A	98.4	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-42.2	171.8	0	0	0	0	0	112.3	I187 L188 L194 L195 I207 I210	I187-A191 WeakPolarHBondContact O-CB 3.49Å; I187-A191 PolarHBondContact O-N 3.44Å; L188-A191 PolarHBondContact O-N 3.04Å; A191-L194 PolarHBondContact O-N 2.81Å; A191-L195 WeakPolarHBondContact O-CG 3.45Å; A191-L195 PolarHBondContact O-N 3.29Å; A191-I207 HydrophobicContact CB-CD1 3.5Å; A191-I207 VanDerWaalsContact CB-CD1 3.5Å; A191-I210 HydrophobicContact CB-CD1 4.41Å; A191-I210 HydrophobicContact CB-CG1 4.28Å
192	A	98.4	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-40.5	173.4	0	0	0	0	0	112.4	L188 R189 H190 L194 L195 R196 L231 F235 I239	L188-A192 PolarHBondContact O-N 2.82Å; R189-A192 WeakPolarHBondContact O-CB 3.36Å; R189-A192 PolarHBondContact O-N 2.88Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 3.28Å; A192-L194 PolarHBondContact O-N 2.79Å; A192-L195 WeakPolarHBondContact O-CB 3.28Å; A192-L195 PolarHBondContact O-N 2.99Å; A192-R196 WeakPolarHBondContact O-CG 3.46Å; A192-R196 PolarHBondContact O-N 3.08Å; A192-L231 HydrophobicContact CB-CD1 4.38Å; A192-L231 HydrophobicContact CB-CD2 3.64Å; A192-F235 HydrophobicContact CB-CD2 4.3Å; A192-F235 HydrophobicContact CB-CE2 3.95Å; A192-I239 HydrophobicContact CB-CD1 4.25Å
193	D	97.6	Very high	94.3	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.064	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-44.5	174.7	-67.7	-34.2	0	0	0	111.6	S116 R118 R189 H190 L195 R196 E197	S116-D193 VanDerWaalsContact CB-OD2 3.23Å; S116-D193 WeakPolarHBondContact CB-OD2 3.34Å; S116-D193 PolarHBondContact OG-OD2 3.06Å; R118-D193 WeakPolarHBondContact CB-OD2 3.26Å; R118-D193 VanDerWaalsContact CD-CG 3.48Å; R118-D193 WeakPolarHBondContact CD-OD1 3.06Å; R189-D193 VanDerWaalsContact O-CG 3.32Å; R189-D193 PolarHBondContact O-N 3.48Å; H190-D193 WeakPolarHBondContact O-CB 2.96Å; H190-D193 PolarHBondContact O-N 3Å; D193-L195 VanDerWaalsContact C-N 3.34Å; D193-L195 PolarHBondContact O-N 3.3Å; D193-R196 WeakPolarHBondContact O-CB 3.32Å; D193-R196 PolarHBondContact O-N 2.77Å; D193-R196 IonicContact OD1-CZ 2.74Å; D193-R196 IonicContact OD1-NH1 2.82Å; D193-R196 PolarHBondContact OD1-NH1 3.36Å; D193-E197 WeakPolarHBondContact O-CG 3.37Å; D193-E197 PolarHBondContact O-N 3.27Å
194	L	96.9	Very high	93.8	Very high	27 Å²	27	49 Å²	49	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-39.1	174.8	-67.5	169.6	0	0	0	112.5	F161 P163 H190 A191 A192 E197 R198 Y205	F161-L194 HydrophobicContact CE1-CD1 4.12Å; P163-L194 HydrophobicContact CG-CD1 3.78Å; H190-L194 WeakPolarHBondContact O-CG 3.35Å; H190-L194 PolarHBondContact O-N 3.26Å; A191-L194 PolarHBondContact O-N 2.81Å; A192-L194 PolarHBondContact O-N 2.79Å; L194-E197 PolarHBondContact O-N 3.34Å; L194-R198 WeakPolarHBondContact O-CB 3.38Å; L194-R198 PolarHBondContact O-N 3.14Å; L194-Y205 HydrophobicContact CD1-CD1 4.28Å
195	L	96.7	Very high	93.6	Very high	24 Å²	24	49.3 Å²	49.3	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-46.9	173.4	-74.7	168.9	0	0	0	111.8	A191 A192 D193 R198 A199 I207 I210 F235 K238 I239	A191-L195 WeakPolarHBondContact O-CG 3.45Å; A191-L195 PolarHBondContact O-N 3.29Å; A192-L195 WeakPolarHBondContact O-CB 3.28Å; A192-L195 PolarHBondContact O-N 2.99Å; D193-L195 VanDerWaalsContact C-N 3.34Å; D193-L195 PolarHBondContact O-N 3.3Å; L195-R198 PolarHBondContact O-N 2.97Å; L195-A199 WeakPolarHBondContact O-CB 3.42Å; L195-A199 PolarHBondContact O-N 2.84Å; L195-I207 HydrophobicContact CD1-CG2 4.42Å; L195-I207 HydrophobicContact CD2-CG2 3.42Å; L195-I207 VanDerWaalsContact CD2-CG2 3.42Å; L195-I207 HydrophobicContact CG-CG2 3.66Å; L195-I210 HydrophobicContact CD1-CD1 4.48Å; L195-F235 HydrophobicContact CB-CD1 4.15Å; L195-F235 HydrophobicContact CB-CE1 3.77Å; L195-F235 HydrophobicContact CB-CZ 4Å; L195-F235 HydrophobicContact CD1-CB 4.23Å; L195-F235 HydrophobicContact CD1-CD1 3.91Å; L195-F235 HydrophobicContact CD1-CD2 4.21Å; L195-F235 HydrophobicContact CD1-CE1 4.36Å; L195-F235 HydrophobicContact CD1-CG 3.84Å; L195-K238 HydrophobicContact CD1-CB 3.91Å; L195-K238 HydrophobicContact CD1-CG 4.41Å; L195-K238 HydrophobicContact CD2-CB 4.37Å; L195-K238 HydrophobicContact CD2-CD 4.11Å; L195-K238 HydrophobicContact CD2-CG 3.98Å; L195-I239 HydrophobicContact CD1-CD1 4.16Å; L195-I239 HydrophobicContact CD1-CG1 4.25Å
196	R	95.9	Very high	93.3	Very high	81 Å²	81	53.5 Å²	53.5	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176.5	-65.7	170.2	-174.1	136.3	-1.1	111.5	A192 D193 A199 N200 E234 F235	A192-R196 WeakPolarHBondContact O-CG 3.46Å; A192-R196 PolarHBondContact O-N 3.08Å; D193-R196 WeakPolarHBondContact O-CB 3.32Å; D193-R196 PolarHBondContact O-N 2.77Å; D193-R196 IonicContact OD1-CZ 2.74Å; D193-R196 IonicContact OD1-NH1 2.82Å; D193-R196 PolarHBondContact OD1-NH1 3.36Å; R196-A199 PolarHBondContact O-N 2.83Å; R196-N200 WeakPolarHBondContact O-CB 3.12Å; R196-N200 VanDerWaalsContact O-CG 3.3Å; R196-N200 PolarHBondContact O-N 2.92Å; R196-N200 VanDerWaalsContact O-N 3.08Å; R196-N200 PolarHBondContact O-ND2 3.24Å; R196-N200 VanDerWaalsContact O-ND2 3.07Å; R196-E234 IonicContact CZ-OE1 3.97Å; R196-E234 IonicContact CZ-OE2 3.28Å; R196-E234 IonicContact NE-OE1 2.68Å; R196-E234 PolarHBondContact NE-OE1 2.95Å; R196-E234 IonicContact NE-OE2 3.42Å; R196-E234 VanDerWaalsContact NH2-CD 3.35Å; R196-E234 IonicContact NH2-OE1 3.65Å; R196-E234 PolarHBondContact NH2-OE1 2.92Å; R196-E234 IonicContact NH2-OE2 2.78Å; R196-E234 PolarHBondContact NH2-OE2 3.32Å; R196-F235 HydrophobicContact CG-CE2 4.39Å; R196-F235 HydrophobicContact CG-CZ 3.7Å
197	E	93.3	Very high	93.2	Very high	58 Å²	58	53.7 Å²	53.7	27%	0.271	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-43.1	-179.8	-69.1	-151.7	151.6	0	0	112.4	R118 D193 L194 N200 K201	R118-E197 IonicContact CZ-OE1 3.75Å; R118-E197 IonicContact NH1-OE1 2.73Å; R118-E197 PolarHBondContact NH1-OE1 3.32Å; R118-E197 IonicContact NH2-OE1 3.89Å; D193-E197 WeakPolarHBondContact O-CG 3.37Å; D193-E197 PolarHBondContact O-N 3.27Å; L194-E197 PolarHBondContact O-N 3.34Å; E197-N200 PolarHBondContact O-N 3.16Å; E197-K201 WeakPolarHBondContact O-CB 3.5Å; E197-K201 PolarHBondContact O-N 2.74Å; E197-K201 IonicContact OE1-NZ 3.61Å; E197-K201 IonicContact OE2-NZ 3.67Å
198	R	91	Very high	93.1	Very high	83 Å²	83	54 Å²	54	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-68.3	-37	178.9	-167.2	163.7	-173.8	-115.7	4.6	112.6	L194 L195 N200 R202 Y205 E206	L194-R198 WeakPolarHBondContact O-CB 3.38Å; L194-R198 PolarHBondContact O-N 3.14Å; L195-R198 PolarHBondContact O-N 2.97Å; R198-N200 VanDerWaalsContact C-N 3.32Å; R198-N200 PolarHBondContact O-N 3.02Å; R198-R202 VanDerWaalsContact O-CA 3.25Å; R198-R202 WeakPolarHBondContact O-CA 3.22Å; R198-R202 PolarHBondContact O-N 2.79Å; R198-Y205 WeakPolarHBondContact CD-O 3.35Å; R198-E206 IonicContact CZ-OE1 3.43Å; R198-E206 IonicContact CZ-OE2 3.48Å; R198-E206 IonicContact NH1-OE1 2.69Å; R198-E206 PolarHBondContact NH1-OE1 3.44Å; R198-E206 IonicContact NH1-OE2 3.55Å; R198-E206 IonicContact NH2-OE1 3.35Å; R198-E206 PolarHBondContact NH2-OE1 3.44Å; R198-E206 IonicContact NH2-OE2 2.72Å; R198-E206 PolarHBondContact NH2-OE2 2.8Å
199	A	90.6	Very high	93.1	Very high	76 Å²	76	57.3 Å²	57.3	63%	0.628	29%	0.291	S	S	*	.	H	α-helix	trans	-60.7	-41.2	172.3	0	0	0	0	0	112.1	L195 R196	L195-A199 WeakPolarHBondContact O-CB 3.42Å; L195-A199 PolarHBondContact O-N 2.84Å; R196-A199 PolarHBondContact O-N 2.83Å
200	N	89.4	Confident	93.1	Very high	138 Å²	138	55.9 Å²	55.9	74%	0.738	29%	0.286	S	S	*	.	H	α-helix	trans	-78	-43.9	-178.2	-71.6	-33.6	0	0	0	113.9	R196 E197 R198	R196-N200 WeakPolarHBondContact O-CB 3.12Å; R196-N200 VanDerWaalsContact O-CG 3.3Å; R196-N200 PolarHBondContact O-N 2.92Å; R196-N200 VanDerWaalsContact O-N 3.08Å; R196-N200 PolarHBondContact O-ND2 3.24Å; R196-N200 VanDerWaalsContact O-ND2 3.07Å; E197-N200 PolarHBondContact O-N 3.16Å; R198-N200 VanDerWaalsContact C-N 3.32Å; R198-N200 PolarHBondContact O-N 3.02Å
201	K	85.9	Confident	93.1	Very high	126 Å²	126	56.7 Å²	56.7	55%	0.548	29%	0.289	S	S	.	.	H	α-helix	trans	-101.1	-14.3	-170.6	-61.9	174	-176.2	164.6	0	114.1	E197 S203	E197-K201 WeakPolarHBondContact O-CB 3.5Å; E197-K201 PolarHBondContact O-N 2.74Å; E197-K201 IonicContact OE1-NZ 3.61Å; E197-K201 IonicContact OE2-NZ 3.67Å; K201-S203 PolarHBondContact O-N 2.82Å; K201-S203 VanDerWaalsContact O-N 3.07Å; K201-S203 PolarHBondContact O-OG 2.8Å
202	R	77.4	Confident	93.1	Very high	232 Å²	232	56.7 Å²	56.7	88%	0.875	29%	0.289	S	S	*	.	S	Bend	trans	53	18.7	-168.9	-60.5	-174.5	178.3	-175.7	-0.4	114.6	R198	R198-R202 VanDerWaalsContact O-CA 3.25Å; R198-R202 WeakPolarHBondContact O-CA 3.22Å; R198-R202 PolarHBondContact O-N 2.79Å
203	S	78	Confident	93.1	Very high	72 Å²	72	56.9 Å²	56.9	50%	0.503	29%	0.29	S	S	.	.			trans	-139.7	157.4	179.5	61.8	0	0	0	0	109.4	K201	K201-S203 PolarHBondContact O-N 2.82Å; K201-S203 VanDerWaalsContact O-N 3.07Å; K201-S203 PolarHBondContact O-OG 2.8Å
204	G	88	Confident	93.2	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	29%	0.287	S	S	.	.	S	Bend	trans	106.8	172.6	-170	0	0	0	0	0	112.5
205	Y	94.1	Very high	93.2	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.035	29%	0.285	C	S	.	.			trans	-59.4	135.3	-172.1	171.2	-103.7	0	0	0	113.2	F161 P163 Q164 D167 R170 L194 R198 I207	F161-Y205 AromaticContact CZ-CE1 3.77Å; F161-Y205 HydrophobicContact CZ-CE1 3.77Å; P163-Y205 HydrophobicContact CB-CD1 3.7Å; P163-Y205 HydrophobicContact CB-CD2 3.64Å; P163-Y205 HydrophobicContact CB-CE1 3.75Å; P163-Y205 HydrophobicContact CB-CE2 3.69Å; P163-Y205 HydrophobicContact CB-CG 3.62Å; P163-Y205 HydrophobicContact CG-CD1 3.47Å; P163-Y205 VanDerWaalsContact CG-CD1 3.47Å; P163-Y205 HydrophobicContact CG-CD2 4.31Å; P163-Y205 HydrophobicContact CG-CE1 3.73Å; P163-Y205 HydrophobicContact CG-CG 3.78Å; Q164-Y205 WeakPolarHBondContact O-CD2 3.4Å; D167-Y205 HydrophobicContact CB-CD2 4.07Å; D167-Y205 HydrophobicContact CB-CE2 3.94Å; R170-Y205 WeakPolarHBondContact CB-OH 3.39Å; R170-Y205 PolarHBondContact N-OH 2.92Å; L194-Y205 HydrophobicContact CD1-CD1 4.28Å; R198-Y205 WeakPolarHBondContact CD-O 3.35Å; Y205-I207 HydrophobicContact CD1-CB 4.1Å; Y205-I207 HydrophobicContact CE1-CB 3.7Å; Y205-I207 HydrophobicContact CE1-CG1 4.07Å; Y205-I207 PolarHBondContact O-N 3.35Å
206	E	93.9	Very high	93.3	Very high	88 Å²	88	55 Å²	55	41%	0.411	28%	0.282	S	S	.	.			trans	-84.7	98.4	174.5	175.8	135.3	-132.3	0	0	110.8	S169 R198	S169-E206 WeakPolarHBondContact CA-O 3.24Å; S169-E206 WeakPolarHBondContact CB-O 3.38Å; S169-E206 PolarHBondContact OG-O 3.05Å; R198-E206 IonicContact CZ-OE1 3.43Å; R198-E206 IonicContact CZ-OE2 3.48Å; R198-E206 IonicContact NH1-OE1 2.69Å; R198-E206 PolarHBondContact NH1-OE1 3.44Å; R198-E206 IonicContact NH1-OE2 3.55Å; R198-E206 IonicContact NH2-OE1 3.35Å; R198-E206 PolarHBondContact NH2-OE1 3.44Å; R198-E206 IonicContact NH2-OE2 2.72Å; R198-E206 PolarHBondContact NH2-OE2 2.8Å
207	I	95.6	Very high	93.3	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	29%	0.292	C	S	.	.			trans	-79.1	139.3	170.6	-163.1	162.7	0	0	0	112.2	F161 L172 A191 L195 Y205 I210 K238	F161-I207 HydrophobicContact CE1-CD1 3.93Å; F161-I207 HydrophobicContact CZ-CD1 4.11Å; L172-I207 HydrophobicContact CD1-CD1 3.87Å; L172-I207 HydrophobicContact CG-CD1 4.4Å; A191-I207 HydrophobicContact CB-CD1 3.5Å; A191-I207 VanDerWaalsContact CB-CD1 3.5Å; L195-I207 HydrophobicContact CD1-CG2 4.42Å; L195-I207 HydrophobicContact CD2-CG2 3.42Å; L195-I207 VanDerWaalsContact CD2-CG2 3.42Å; L195-I207 HydrophobicContact CG-CG2 3.66Å; Y205-I207 HydrophobicContact CD1-CB 4.1Å; Y205-I207 HydrophobicContact CE1-CB 3.7Å; Y205-I207 HydrophobicContact CE1-CG1 4.07Å; Y205-I207 PolarHBondContact O-N 3.35Å; I207-I210 HydrophobicContact CD1-CD1 3.83Å; I207-I210 HydrophobicContact CD1-CG1 4.03Å; I207-I210 HydrophobicContact CG1-CD1 4.01Å; I207-I210 HydrophobicContact CG1-CG1 4.43Å; I207-I210 HydrophobicContact CG2-CD1 4.47Å; I207-K238 PolarHBondContact O-NZ 3.29Å
208	G	97.3	Very high	93.6	Very high	6 Å²	6	55.2 Å²	55.2	6%	0.062	29%	0.285	C	S	.	.			trans	-73.2	-143.5	173.8	0	0	0	0	0	112.1	S169 R170 N171 K238	S169-G208 PolarHBondContact OG-N 3.23Å; R170-G208 WeakPolarHBondContact O-CA 3.19Å; R170-G208 PolarHBondContact O-N 2.87Å; N171-G208 WeakPolarHBondContact OD1-CA 3.43Å; G208-K238 WeakPolarHBondContact O-CD 3.29Å; G208-K238 PolarHBondContact O-NZ 3.03Å
209	T	98.4	Very high	93.8	Very high	70 Å²	70	52.1 Å²	52.1	43%	0.429	28%	0.276	S	S	.	.			trans	-89	154.5	170.9	58.1	0	0	0	0	111.3	N171 L172 K238	N171-T209 CarbonylContact C-O 3.58Å; N171-T209 VanDerWaalsContact CA-O 3.22Å; N171-T209 WeakPolarHBondContact CA-O 3.23Å; N171-T209 PolarHBondContact OD1-N 2.95Å; N171-T209 PolarHBondContact OD1-OG1 2.8Å; L172-T209 PolarHBondContact N-O 2.78Å; T209-K238 CarbonylContact C-O 3.54Å; T209-K238 WeakPolarHBondContact CA-O 3.43Å
210	I	98.8	Very high	94.1	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.8	178.1	-55.6	92.3	0	0	0	108.5	L172 L174 L188 A191 L195 I207 K238 I239 A240	L172-I210 HydrophobicContact CB-CB 4.45Å; L172-I210 HydrophobicContact CB-CG1 4.11Å; L172-I210 HydrophobicContact CB-CG2 4.15Å; L172-I210 HydrophobicContact CD1-CG1 4.2Å; L172-I210 HydrophobicContact CG-CG1 4.33Å; L172-I210 CarbonylContact O-C 3.46Å; L172-I210 VanDerWaalsContact O-CA 3.32Å; L172-I210 WeakPolarHBondContact O-CA 3.46Å; L174-I210 HydrophobicContact CD1-CG2 3.96Å; L174-I210 HydrophobicContact CG-CG2 4.24Å; L188-I210 HydrophobicContact CD1-CG2 3.75Å; A191-I210 HydrophobicContact CB-CD1 4.41Å; A191-I210 HydrophobicContact CB-CG1 4.28Å; L195-I210 HydrophobicContact CD1-CD1 4.48Å; I207-I210 HydrophobicContact CD1-CD1 3.83Å; I207-I210 HydrophobicContact CD1-CG1 4.03Å; I207-I210 HydrophobicContact CG1-CD1 4.01Å; I207-I210 HydrophobicContact CG1-CG1 4.43Å; I207-I210 HydrophobicContact CG2-CD1 4.47Å; I210-K238 PolarHBondContact N-O 2.86Å; I210-I239 HydrophobicContact CB-CG1 4.37Å; I210-I239 HydrophobicContact CD1-CG1 4.1Å; I210-I239 WeakPolarHBondContact O-CA 3.31Å; I210-A240 PolarHBondContact O-N 3.1Å
211	K	98.8	Very high	94.5	Very high	44 Å²	44	45.9 Å²	45.9	19%	0.191	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.5	173.5	-174.6	69.2	171.1	179.5	0	110.5	L172 V173 L174 F213 A240 C241	L172-K211 PolarHBondContact O-N 3.4Å; V173-K211 WeakPolarHBondContact CA-O 3.36Å; L174-K211 PolarHBondContact N-O 3.17Å; K211-F213 HydrophobicContact CB-CE2 4.29Å; K211-F213 HydrophobicContact CD-CE2 4.43Å; K211-F213 HydrophobicContact CD-CZ 4.39Å; K211-F213 HydrophobicContact CG-CD2 3.91Å; K211-F213 HydrophobicContact CG-CE2 3.33Å; K211-F213 HydrophobicContact CG-CZ 3.7Å; K211-A240 WeakPolarHBondContact CA-O 3.48Å; K211-A240 HydrophobicContact CD-CB 3.82Å; K211-C241 PolarHBondContact NZ-O 3.28Å
212	L	98.9	Very high	95.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.2	171.7	174.6	64.5	0	0	0	110.9	L174 A176 I181 L188 I228 A240 C241 S242	L174-L212 HydrophobicContact CB-CD1 3.77Å; A176-L212 HydrophobicContact CB-CD1 4.2Å; I181-L212 HydrophobicContact CD1-CD1 3.9Å; I181-L212 HydrophobicContact CD1-CD2 4Å; L188-L212 HydrophobicContact CD2-CD2 4.15Å; L212-I228 HydrophobicContact CD2-CD1 3.94Å; L212-I228 HydrophobicContact CD2-CG1 4.16Å; L212-I228 HydrophobicContact CD2-CG2 3.81Å; L212-A240 PolarHBondContact N-O 2.89Å; L212-C241 HydrophobicContact CB-CB 4.25Å; L212-C241 CarbonylContact O-C 3.55Å; L212-C241 WeakPolarHBondContact O-CA 3.35Å; L212-S242 PolarHBondContact O-N 2.91Å
213	F	98.8	Very high	96.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115	162.9	-66.3	-85.1	0	0	0	108.8	V173 L174 I175 A176 K211 S242 I265 E269 I270 H273	V173-F213 HydrophobicContact CG1-CD2 3.99Å; V173-F213 HydrophobicContact CG1-CE2 4.11Å; L174-F213 PolarHBondContact O-N 3.08Å; I175-F213 CarbonylContact C-O 3.57Å; I175-F213 WeakPolarHBondContact CA-O 3.46Å; A176-F213 PolarHBondContact N-O 3.24Å; K211-F213 HydrophobicContact CB-CE2 4.29Å; K211-F213 HydrophobicContact CD-CE2 4.43Å; K211-F213 HydrophobicContact CD-CZ 4.39Å; K211-F213 HydrophobicContact CG-CD2 3.91Å; K211-F213 HydrophobicContact CG-CE2 3.33Å; K211-F213 HydrophobicContact CG-CZ 3.7Å; F213-S242 WeakPolarHBondContact CA-O 3.43Å; F213-I265 HydrophobicContact CB-CD1 3.8Å; F213-I265 HydrophobicContact CB-CG1 4.13Å; F213-I265 HydrophobicContact CB-CG2 4.09Å; F213-I265 HydrophobicContact CD1-CG2 4.04Å; F213-I265 HydrophobicContact CG-CG2 4.2Å; F213-E269 HydrophobicContact CE1-CB 3.7Å; F213-E269 HydrophobicContact CE1-CG 4.4Å; F213-E269 HydrophobicContact CZ-CB 4.05Å; F213-I270 HydrophobicContact CB-CD1 4.45Å; F213-I270 HydrophobicContact CD1-CD1 4.3Å; F213-I270 HydrophobicContact CD2-CD1 3.44Å; F213-I270 VanDerWaalsContact CD2-CD1 3.44Å; F213-I270 HydrophobicContact CE1-CD1 4.45Å; F213-I270 HydrophobicContact CE2-CD1 3.58Å; F213-I270 HydrophobicContact CG-CD1 3.82Å; F213-I270 HydrophobicContact CZ-CD1 4.1Å; F213-H273 AromaticContact CZ-CE1 3.64Å; F213-H273 AromaticContact CZ-ND1 3.92Å
214	Y	98.7	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.6	-176.4	177.7	-152.5	0	0	0	112.1	A176 G178 I181 E221 L222 L223 I228 S242 L243 H244	A176-Y214 HydrophobicContact CB-CD2 3.47Å; A176-Y214 VanDerWaalsContact CB-CD2 3.47Å; A176-Y214 HydrophobicContact CB-CE2 4.23Å; A176-Y214 HydrophobicContact CB-CG 4.03Å; G178-Y214 VanDerWaalsContact O-CE2 3.24Å; G178-Y214 WeakPolarHBondContact O-CE2 3.46Å; G178-Y214 PolarHBondContact O-OH 2.93Å; I181-Y214 HydrophobicContact CB-CD2 4.18Å; I181-Y214 HydrophobicContact CB-CE1 4.24Å; I181-Y214 HydrophobicContact CB-CE2 3.72Å; I181-Y214 HydrophobicContact CD1-CD1 4.09Å; I181-Y214 HydrophobicContact CD1-CD2 4.3Å; I181-Y214 HydrophobicContact CD1-CE1 4.4Å; I181-Y214 HydrophobicContact CD1-CG 4.05Å; I181-Y214 HydrophobicContact CG1-CD1 4.18Å; I181-Y214 HydrophobicContact CG1-CD2 4.45Å; I181-Y214 HydrophobicContact CG1-CE1 3.98Å; I181-Y214 HydrophobicContact CG1-CE2 4.27Å; I181-Y214 HydrophobicContact CG1-CG 4.43Å; I181-Y214 HydrophobicContact CG2-CE1 4.49Å; I181-Y214 HydrophobicContact CG2-CE2 4.18Å; Y214-E221 PolarHBondContact OH-O 3.32Å; Y214-L222 HydrophobicContact CD1-CD2 3.63Å; Y214-L222 HydrophobicContact CE1-CB 4.22Å; Y214-L222 HydrophobicContact CE1-CD2 3.61Å; Y214-L222 HydrophobicContact CG-CD2 4.14Å; Y214-L223 PolarHBondContact OH-N 3.28Å; Y214-I228 HydrophobicContact CD1-CD1 4.22Å; Y214-S242 PolarHBondContact N-O 3.05Å; Y214-L243 HydrophobicContact CD1-CD2 4.1Å; Y214-L243 CarbonylContact O-C 3.06Å; Y214-L243 WeakPolarHBondContact O-CA 3.43Å; Y214-H244 PolarHBondContact O-N 2.68Å
215	S	98.4	Very high	97.5	Very high	16 Å²	16	26.7 Å²	26.7	11%	0.112	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.5	177.3	-167.4	0	0	0	0	113.5	A176 G177 G178 H244	A176-S215 PolarHBondContact O-N 3.01Å; G177-S215 WeakPolarHBondContact CA-O 3.37Å; G178-S215 PolarHBondContact N-O 3.22Å; S215-H244 CarbonylContact C-O 3.57Å; S215-H244 VanDerWaalsContact CA-O 3.29Å; S215-H244 WeakPolarHBondContact CA-O 3.21Å; S215-H244 PolarHBondContact OG-O 3.05Å
216	A	98	Very high	97.5	Very high	8 Å²	8	32.5 Å²	32.5	7%	0.066	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	-179.6	171.6	0	0	0	0	0	112	E221 L222 H244 T246	A216-E221 HydrophobicContact CB-CB 4.33Å; A216-E221 WeakPolarHBondContact CB-O 3.3Å; A216-L222 HydrophobicContact CB-CD2 3.59Å; A216-L222 HydrophobicContact CB-CG 3.89Å; A216-H244 PolarHBondContact N-O 3.41Å; A216-T246 PolarHBondContact O-N 3.5Å; A216-T246 VanDerWaalsContact O-N 3.11Å; A216-T246 PolarHBondContact O-OG1 2.88Å
217	K	96.9	Very high	97.7	Very high	119 Å²	119	31.1 Å²	31.1	52%	0.517	16%	0.159	S	C	.	.	S	Bend	trans	-66.7	-49.1	175	-176	-175.5	173.1	-169	0	110.7	E221 T246 K247	K217-E221 HydrophobicContact CB-CB 4.45Å; K217-E221 HydrophobicContact CB-CG 4.45Å; K217-T246 PolarHBondContact O-N 3.1Å; K217-K247 HydrophobicContact CG-CB 3.94Å; K217-K247 HydrophobicContact CG-CD 4.44Å; K217-K247 HydrophobicContact CG-CG 4.49Å; K217-K247 CarbonylContact O-C 3.59Å; K217-K247 VanDerWaalsContact O-C 3.25Å; K217-K247 WeakPolarHBondContact O-CA 3.5Å; K217-K247 PolarHBondContact O-N 3.08Å
218	N	97.6	Very high	97.8	Very high	23 Å²	23	31 Å²	31	12%	0.123	16%	0.158	C	C	.	.	S	Bend	trans	-159.7	175	-173	58.8	8.6	0	0	0	109.3	S220 E221 L222 Q248	N218-S220 PolarHBondContact ND2-OG 2.75Å; N218-S220 PolarHBondContact O-N 3.13Å; N218-S220 PolarHBondContact OD1-OG 3.23Å; N218-E221 PolarHBondContact O-N 3.13Å; N218-E221 WeakPolarHBondContact OD1-CB 3.23Å; N218-E221 WeakPolarHBondContact OD1-CG 3.49Å; N218-E221 PolarHBondContact OD1-N 3.02Å; N218-L222 PolarHBondContact O-N 3.06Å; N218-Q248 VanDerWaalsContact CB-OE1 3.22Å
219	T	97	Very high	97.8	Very high	19 Å²	19	31 Å²	31	12%	0.117	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22	-177.8	52.5	0	0	0	0	114.9	E221 K225 V245 Q248 I252 I260	T219-E221 VanDerWaalsContact C-N 3.35Å; T219-K225 PolarHBondContact O-NZ 3.25Å; T219-V245 HydrophobicContact CG2-CG1 4.17Å; T219-Q248 PolarHBondContact OG1-NE2 3.49Å; T219-Q248 VanDerWaalsContact OG1-NE2 3.14Å; T219-I252 HydrophobicContact CG2-CG1 4.02Å; T219-I260 HydrophobicContact CG2-CD1 3.53Å
220	S	96.9	Very high	97.8	Very high	46 Å²	46	30.9 Å²	30.9	32%	0.322	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.1	174.4	65.6	0	0	0	0	113.2	S75 P76 N218	S75-S220 VanDerWaalsContact CB-O 3.27Å; S75-S220 WeakPolarHBondContact CB-O 3.41Å; P76-S220 VanDerWaalsContact CD-O 3.29Å; P76-S220 WeakPolarHBondContact CD-O 3.5Å; N218-S220 PolarHBondContact ND2-OG 2.75Å; N218-S220 PolarHBondContact O-N 3.13Å; N218-S220 PolarHBondContact OD1-OG 3.23Å
221	E	97.7	Very high	97.8	Very high	36 Å²	36	31.3 Å²	31.3	17%	0.168	16%	0.156	C	C	.	.	S	Bend	trans	-104.8	3.1	179.4	-64.6	-79.9	-158.8	0	0	113.2	S75 S77 Y214 A216 K217 N218 T219 L223	S75-E221 WeakPolarHBondContact CB-OE2 3.38Å; S75-E221 PolarHBondContact OG-OE2 3.36Å; S77-E221 WeakPolarHBondContact CB-OE1 3.42Å; S77-E221 VanDerWaalsContact OG-CD 3.25Å; S77-E221 PolarHBondContact OG-OE1 2.83Å; S77-E221 PolarHBondContact OG-OE2 2.78Å; Y214-E221 PolarHBondContact OH-O 3.32Å; A216-E221 HydrophobicContact CB-CB 4.33Å; A216-E221 WeakPolarHBondContact CB-O 3.3Å; K217-E221 HydrophobicContact CB-CB 4.45Å; K217-E221 HydrophobicContact CB-CG 4.45Å; N218-E221 PolarHBondContact O-N 3.13Å; N218-E221 WeakPolarHBondContact OD1-CB 3.23Å; N218-E221 WeakPolarHBondContact OD1-CG 3.49Å; N218-E221 PolarHBondContact OD1-N 3.02Å; T219-E221 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 2.99Å
222	L	97.8	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	-75.6	108.5	162.7	-73	172	0	0	0	108	Y214 A216 N218 K225 L243 V245 I260	Y214-L222 HydrophobicContact CD1-CD2 3.63Å; Y214-L222 HydrophobicContact CE1-CB 4.22Å; Y214-L222 HydrophobicContact CE1-CD2 3.61Å; Y214-L222 HydrophobicContact CG-CD2 4.14Å; A216-L222 HydrophobicContact CB-CD2 3.59Å; A216-L222 HydrophobicContact CB-CG 3.89Å; N218-L222 PolarHBondContact O-N 3.06Å; L222-K225 HydrophobicContact CB-CD 3.85Å; L222-K225 HydrophobicContact CB-CG 3.77Å; L222-K225 WeakPolarHBondContact O-CE 3.24Å; L222-L243 HydrophobicContact CD1-CB 4.18Å; L222-L243 HydrophobicContact CD1-CD1 4.34Å; L222-V245 HydrophobicContact CD1-CG1 3.99Å; L222-V245 HydrophobicContact CG-CG1 4.42Å; L222-I260 HydrophobicContact CD1-CD1 4.31Å
223	L	98.3	Very high	97.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	156.3	176.5	-49	-174.8	0	0	0	111	E74 V78 A129 V179 I181 Y214 E221 K225	E74-L223 HydrophobicContact CB-CD2 4.27Å; E74-L223 HydrophobicContact CG-CB 3.86Å; E74-L223 HydrophobicContact CG-CD2 3.81Å; E74-L223 HydrophobicContact CG-CG 4.27Å; V78-L223 HydrophobicContact CB-CD1 4.36Å; V78-L223 HydrophobicContact CB-CD2 3.82Å; V78-L223 HydrophobicContact CG1-CD1 3.88Å; V78-L223 HydrophobicContact CG1-CD2 4.13Å; V78-L223 HydrophobicContact CG2-CD1 4.21Å; V78-L223 HydrophobicContact CG2-CD2 3.89Å; A129-L223 HydrophobicContact CB-CD1 4.49Å; V179-L223 HydrophobicContact CG1-CD1 4.15Å; I181-L223 HydrophobicContact CG2-CB 4.11Å; I181-L223 HydrophobicContact CG2-CD1 3.8Å; I181-L223 HydrophobicContact CG2-CG 4.23Å; Y214-L223 PolarHBondContact OH-N 3.28Å; E221-L223 PolarHBondContact O-N 2.99Å; L223-K225 PolarHBondContact O-N 2.96Å
224	F	98.1	Very high	97.7	Very high	6 Å²	6	39 Å²	39	3%	0.026	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	18.4	166.2	-48.7	-67.7	0	0	0	115.8	E74 C114 A129 I181 L185 K226 N227 I228	E74-F224 HydrophobicContact CG-CD1 4.13Å; E74-F224 HydrophobicContact CG-CE1 4.03Å; E74-F224 HydrophobicContact CG-CZ 4.37Å; E74-F224 VanDerWaalsContact OE1-CA 3.29Å; E74-F224 WeakPolarHBondContact OE1-CA 3.47Å; E74-F224 WeakPolarHBondContact OE1-CD1 3.49Å; E74-F224 PolarHBondContact OE1-N 3.44Å; C114-F224 HydrophobicContact CB-CE2 4.35Å; C114-F224 HydrophobicContact CB-CZ 4.11Å; A129-F224 HydrophobicContact CB-CE2 4.11Å; A129-F224 HydrophobicContact CB-CZ 3.56Å; I181-F224 HydrophobicContact CG1-CD2 4.47Å; I181-F224 HydrophobicContact CG2-CD2 4.19Å; I181-F224 HydrophobicContact CG2-CE2 4.25Å; L185-F224 HydrophobicContact CD2-CB 3.65Å; L185-F224 HydrophobicContact CD2-CD1 3.77Å; L185-F224 HydrophobicContact CD2-CD2 3.3Å; L185-F224 HydrophobicContact CD2-CE1 4.15Å; L185-F224 HydrophobicContact CD2-CE2 3.72Å; L185-F224 HydrophobicContact CD2-CG 3.3Å; L185-F224 HydrophobicContact CD2-CZ 4.1Å; F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.94Å; F224-K226 VanDerWaalsContact O-N 3.13Å; F224-N227 HydrophobicContact CB-CB 4.32Å; F224-N227 WeakPolarHBondContact O-CA 3.4Å; F224-N227 WeakPolarHBondContact O-CB 3.49Å; F224-N227 PolarHBondContact O-N 3.5Å; F224-I228 HydrophobicContact CB-CD1 4.31Å; F224-I228 HydrophobicContact CB-CG1 4.48Å; F224-I228 PolarHBondContact O-N 3.43Å
225	K	96.7	Very high	97.7	Very high	58 Å²	58	40.6 Å²	40.6	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-43.9	-51.6	-176.3	-71.3	164	-71.1	-164.1	0	112.8	T219 L222 L223 I228 L229 L256	T219-K225 PolarHBondContact O-NZ 3.25Å; L222-K225 HydrophobicContact CB-CD 3.85Å; L222-K225 HydrophobicContact CB-CG 3.77Å; L222-K225 WeakPolarHBondContact O-CE 3.24Å; L223-K225 PolarHBondContact O-N 2.96Å; K225-I228 PolarHBondContact O-N 3.05Å; K225-L229 WeakPolarHBondContact O-CG 3.3Å; K225-L229 PolarHBondContact O-N 3.29Å; K225-L256 HydrophobicContact CB-CD2 4.43Å; K225-L256 HydrophobicContact CD-CD1 3.9Å; K225-L256 HydrophobicContact CD-CD2 4.43Å
226	K	95.8	Very high	97.6	Very high	131 Å²	131	44 Å²	44	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-60.2	-49.6	179.8	-164.6	-160.4	176.3	-57.3	0	111.5	F224 I228 L229 D230	F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.94Å; F224-K226 VanDerWaalsContact O-N 3.13Å; K226-I228 VanDerWaalsContact C-N 3.31Å; K226-I228 PolarHBondContact O-N 3.03Å; K226-L229 PolarHBondContact O-N 3.05Å; K226-D230 IonicContact NZ-OD1 3.2Å; K226-D230 PolarHBondContact NZ-OD1 3.18Å; K226-D230 IonicContact NZ-OD2 3.35Å; K226-D230 PolarHBondContact NZ-OD2 2.98Å; K226-D230 WeakPolarHBondContact O-CB 3.39Å; K226-D230 PolarHBondContact O-N 3.46Å
227	N	96.7	Very high	97.6	Very high	58 Å²	58	51.7 Å²	51.7	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-57.3	-43.3	177.6	-79.6	-108.3	0	0	0	111.7	R189 F224 L231	R189-N227 PolarHBondContact NH2-OD1 3.4Å; F224-N227 HydrophobicContact CB-CB 4.32Å; F224-N227 WeakPolarHBondContact O-CA 3.4Å; F224-N227 WeakPolarHBondContact O-CB 3.49Å; F224-N227 PolarHBondContact O-N 3.5Å; N227-L231 WeakPolarHBondContact O-CG 3.27Å; N227-L231 PolarHBondContact O-N 3.32Å; N227-L231 VanDerWaalsContact O-N 3.17Å
228	I	98.5	Very high	97.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-46	179.6	-66.9	164.3	0	0	0	110.5	I181 L185 L212 Y214 F224 K225 K226 L231 V232 C241	I181-I228 HydrophobicContact CD1-CD1 4.31Å; I181-I228 HydrophobicContact CG1-CD1 4.48Å; L185-I228 HydrophobicContact CD1-CG1 4.28Å; L212-I228 HydrophobicContact CD2-CD1 3.94Å; L212-I228 HydrophobicContact CD2-CG1 4.16Å; L212-I228 HydrophobicContact CD2-CG2 3.81Å; Y214-I228 HydrophobicContact CD1-CD1 4.22Å; F224-I228 HydrophobicContact CB-CD1 4.31Å; F224-I228 HydrophobicContact CB-CG1 4.48Å; F224-I228 PolarHBondContact O-N 3.43Å; K225-I228 PolarHBondContact O-N 3.05Å; K226-I228 VanDerWaalsContact C-N 3.31Å; K226-I228 PolarHBondContact O-N 3.03Å; I228-L231 PolarHBondContact O-N 2.93Å; I228-V232 WeakPolarHBondContact O-CG2 3.45Å; I228-V232 PolarHBondContact O-N 3.48Å; I228-V232 VanDerWaalsContact O-N 3.08Å; I228-C241 HydrophobicContact CG2-CB 4.12Å
229	L	98.1	Very high	97.7	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-71.5	-35.4	-179.9	-64.6	-177.1	0	0	0	112.7	K225 K226 L231 V232 N233 L256 Y259	K225-L229 WeakPolarHBondContact O-CG 3.3Å; K225-L229 PolarHBondContact O-N 3.29Å; K226-L229 PolarHBondContact O-N 3.05Å; L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 3.46Å; L229-V232 PolarHBondContact O-N 3Å; L229-N233 WeakPolarHBondContact O-CB 3.5Å; L229-N233 PolarHBondContact O-N 2.98Å; L229-N233 PolarHBondContact O-ND2 3.26Å; L229-N233 VanDerWaalsContact O-ND2 3.15Å; L229-L256 HydrophobicContact CD1-CD2 3.68Å; L229-Y259 HydrophobicContact CD1-CD2 4.11Å; L229-Y259 HydrophobicContact CD1-CE2 4.07Å; L229-Y259 HydrophobicContact CD2-CD1 3.72Å; L229-Y259 HydrophobicContact CD2-CD2 3.7Å; L229-Y259 HydrophobicContact CD2-CE1 3.75Å; L229-Y259 HydrophobicContact CD2-CE2 3.74Å; L229-Y259 HydrophobicContact CD2-CG 3.68Å
230	D	98.3	Very high	97.8	Very high	66 Å²	66	49.1 Å²	49.1	35%	0.353	25%	0.253	S	S	.	.	H	α-helix	trans	-57	-45.9	172.1	-66.6	-28.5	0	0	0	110.2	K226 N233 E234	K226-D230 IonicContact NZ-OD1 3.2Å; K226-D230 PolarHBondContact NZ-OD1 3.18Å; K226-D230 IonicContact NZ-OD2 3.35Å; K226-D230 PolarHBondContact NZ-OD2 2.98Å; K226-D230 WeakPolarHBondContact O-CB 3.39Å; K226-D230 PolarHBondContact O-N 3.46Å; D230-N233 PolarHBondContact O-N 3.48Å; D230-E234 WeakPolarHBondContact O-CB 3.29Å; D230-E234 PolarHBondContact O-N 2.94Å
231	L	98.5	Very high	97.8	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-35.4	177.6	-67.9	179.6	0	0	0	113.6	L188 R189 A192 N227 I228 L229 N233 F235 I239	L188-L231 HydrophobicContact CD2-CD1 4.23Å; L188-L231 HydrophobicContact CG-CD1 3.94Å; R189-L231 HydrophobicContact CG-CD1 4.17Å; A192-L231 HydrophobicContact CB-CD1 4.38Å; A192-L231 HydrophobicContact CB-CD2 3.64Å; N227-L231 WeakPolarHBondContact O-CG 3.27Å; N227-L231 PolarHBondContact O-N 3.32Å; N227-L231 VanDerWaalsContact O-N 3.17Å; I228-L231 PolarHBondContact O-N 2.93Å; L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 3.46Å; L231-N233 VanDerWaalsContact C-N 3.34Å; L231-F235 PolarHBondContact O-N 2.8Å; L231-F235 VanDerWaalsContact O-N 3.1Å; L231-I239 HydrophobicContact CB-CD1 4.33Å
232	V	98.3	Very high	97.9	Very high	15 Å²	15	46.4 Å²	46.4	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-40.8	172.1	169	0	0	0	0	110.7	I228 L229 F235 P236 I239 C241 Y259	I228-V232 WeakPolarHBondContact O-CG2 3.45Å; I228-V232 PolarHBondContact O-N 3.48Å; I228-V232 VanDerWaalsContact O-N 3.08Å; L229-V232 PolarHBondContact O-N 3Å; V232-F235 CarbonylContact O-C 3.51Å; V232-P236 VanDerWaalsContact O-CA 3.26Å; V232-P236 WeakPolarHBondContact O-CA 3.43Å; V232-P236 VanDerWaalsContact O-N 3.14Å; V232-I239 HydrophobicContact CG2-CG2 3.94Å; V232-C241 HydrophobicContact CG2-CB 4.27Å; V232-Y259 HydrophobicContact CG1-CE1 4.33Å
233	N	97.8	Very high	97.9	Very high	104 Å²	104	46.5 Å²	46.5	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-74.6	-30	179.9	-67.5	-26.8	0	0	0	112.9	L229 D230 L231	L229-N233 WeakPolarHBondContact O-CB 3.5Å; L229-N233 PolarHBondContact O-N 2.98Å; L229-N233 PolarHBondContact O-ND2 3.26Å; L229-N233 VanDerWaalsContact O-ND2 3.15Å; D230-N233 PolarHBondContact O-N 3.48Å; L231-N233 VanDerWaalsContact C-N 3.34Å
234	E	98.1	Very high	97.9	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-72.2	-34.6	173.6	-169.1	-177.6	167.7	0	0	111.9	R196 D230	R196-E234 IonicContact CZ-OE1 3.97Å; R196-E234 IonicContact CZ-OE2 3.28Å; R196-E234 IonicContact NE-OE1 2.68Å; R196-E234 PolarHBondContact NE-OE1 2.95Å; R196-E234 IonicContact NE-OE2 3.42Å; R196-E234 VanDerWaalsContact NH2-CD 3.35Å; R196-E234 IonicContact NH2-OE1 3.65Å; R196-E234 PolarHBondContact NH2-OE1 2.92Å; R196-E234 IonicContact NH2-OE2 2.78Å; R196-E234 PolarHBondContact NH2-OE2 3.32Å; D230-E234 WeakPolarHBondContact O-CB 3.29Å; D230-E234 PolarHBondContact O-N 2.94Å
235	F	98.2	Very high	97.9	Very high	34 Å²	34	46.2 Å²	46.2	15%	0.149	24%	0.237	C	C	.	.			trans	-130.1	55.6	-174	-62.1	-68	0	0	0	113.8	A192 L195 R196 L231 V232 E237 K238 I239	A192-F235 HydrophobicContact CB-CD2 4.3Å; A192-F235 HydrophobicContact CB-CE2 3.95Å; L195-F235 HydrophobicContact CB-CD1 4.15Å; L195-F235 HydrophobicContact CB-CE1 3.77Å; L195-F235 HydrophobicContact CB-CZ 4Å; L195-F235 HydrophobicContact CD1-CB 4.23Å; L195-F235 HydrophobicContact CD1-CD1 3.91Å; L195-F235 HydrophobicContact CD1-CD2 4.21Å; L195-F235 HydrophobicContact CD1-CE1 4.36Å; L195-F235 HydrophobicContact CD1-CG 3.84Å; R196-F235 HydrophobicContact CG-CE2 4.39Å; R196-F235 HydrophobicContact CG-CZ 3.7Å; L231-F235 PolarHBondContact O-N 2.8Å; L231-F235 VanDerWaalsContact O-N 3.1Å; V232-F235 CarbonylContact O-C 3.51Å; F235-E237 VanDerWaalsContact C-N 3.28Å; F235-E237 PolarHBondContact O-N 2.9Å; F235-E237 VanDerWaalsContact O-N 3.15Å; F235-K238 HydrophobicContact CB-CB 4.21Å; F235-K238 CarbonylContact O-C 3.57Å; F235-K238 PolarHBondContact O-N 2.91Å; F235-I239 HydrophobicContact CB-CB 4.21Å; F235-I239 HydrophobicContact CB-CD1 3.95Å; F235-I239 HydrophobicContact CB-CG1 3.86Å; F235-I239 HydrophobicContact CD2-CD1 3.85Å; F235-I239 HydrophobicContact CG-CD1 4.23Å; F235-I239 PolarHBondContact O-N 2.86Å
236	P	97.2	Very high	97.9	Very high	87 Å²	87	46.1 Å²	46.1	57%	0.565	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.1	-169.9	23.6	-34.7	0	0	0	114.3	V232 K238	V232-P236 VanDerWaalsContact O-CA 3.26Å; V232-P236 WeakPolarHBondContact O-CA 3.43Å; V232-P236 VanDerWaalsContact O-N 3.14Å; P236-K238 VanDerWaalsContact C-N 3.29Å; P236-K238 PolarHBondContact O-N 3.46Å
237	E	97.3	Very high	98	Very high	171 Å²	171	46.7 Å²	46.7	80%	0.799	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.5	177.2	-57.6	-58.7	154.3	0	0	113.8	F235	F235-E237 VanDerWaalsContact C-N 3.28Å; F235-E237 PolarHBondContact O-N 2.9Å; F235-E237 VanDerWaalsContact O-N 3.15Å
238	K	98.1	Very high	98	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-32.2	-172.7	-75.2	-74.5	-173.9	174.8	0	113.5	L195 I207 G208 T209 I210 F235 P236	L195-K238 HydrophobicContact CD1-CB 3.91Å; L195-K238 HydrophobicContact CD1-CG 4.41Å; L195-K238 HydrophobicContact CD2-CB 4.37Å; L195-K238 HydrophobicContact CD2-CD 4.11Å; L195-K238 HydrophobicContact CD2-CG 3.98Å; I207-K238 PolarHBondContact O-NZ 3.29Å; G208-K238 WeakPolarHBondContact O-CD 3.29Å; G208-K238 PolarHBondContact O-NZ 3.03Å; T209-K238 CarbonylContact C-O 3.54Å; T209-K238 WeakPolarHBondContact CA-O 3.43Å; I210-K238 PolarHBondContact N-O 2.86Å; F235-K238 HydrophobicContact CB-CB 4.21Å; F235-K238 CarbonylContact O-C 3.57Å; F235-K238 PolarHBondContact O-N 2.91Å; P236-K238 VanDerWaalsContact C-N 3.29Å; P236-K238 PolarHBondContact O-N 3.46Å
239	I	98.7	Very high	97.7	Very high	3 Å²	3	51 Å²	51	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.6	-176.3	-57.5	-177.2	0	0	0	109.4	L188 A192 L195 I210 L231 V232 F235	L188-I239 HydrophobicContact CD1-CD1 4.16Å; L188-I239 HydrophobicContact CD1-CG2 3.81Å; A192-I239 HydrophobicContact CB-CD1 4.25Å; L195-I239 HydrophobicContact CD1-CD1 4.16Å; L195-I239 HydrophobicContact CD1-CG1 4.25Å; I210-I239 HydrophobicContact CB-CG1 4.37Å; I210-I239 HydrophobicContact CD1-CG1 4.1Å; I210-I239 WeakPolarHBondContact O-CA 3.31Å; L231-I239 HydrophobicContact CB-CD1 4.33Å; V232-I239 HydrophobicContact CG2-CG2 3.94Å; F235-I239 HydrophobicContact CB-CB 4.21Å; F235-I239 HydrophobicContact CB-CD1 3.95Å; F235-I239 HydrophobicContact CB-CG1 3.86Å; F235-I239 HydrophobicContact CD2-CD1 3.85Å; F235-I239 HydrophobicContact CG-CD1 4.23Å; F235-I239 PolarHBondContact O-N 2.86Å
240	A	98.4	Very high	97.4	Very high	39 Å²	39	54.9 Å²	54.9	32%	0.322	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.1	171.7	0	0	0	0	0	110.8	I210 K211 L212	I210-A240 PolarHBondContact O-N 3.1Å; K211-A240 WeakPolarHBondContact CA-O 3.48Å; K211-A240 HydrophobicContact CD-CB 3.82Å; L212-A240 PolarHBondContact N-O 2.89Å
241	C	98.4	Very high	97.2	Very high	12 Å²	12	60.7 Å²	60.7	8%	0.081	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	168.5	171.8	70	0	0	0	0	112.7	K211 L212 I228 V232 L243	K211-C241 PolarHBondContact NZ-O 3.28Å; L212-C241 HydrophobicContact CB-CB 4.25Å; L212-C241 CarbonylContact O-C 3.55Å; L212-C241 WeakPolarHBondContact O-CA 3.35Å; I228-C241 HydrophobicContact CG2-CB 4.12Å; V232-C241 HydrophobicContact CG2-CB 4.27Å; C241-L243 HydrophobicContact CB-CD2 4.48Å
242	S	98.1	Very high	97	Very high	14 Å²	14	61.4 Å²	61.4	10%	0.098	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	120.1	161	-170.7	0	0	0	0	106.8	L212 F213 Y214 H244	L212-S242 PolarHBondContact O-N 2.91Å; F213-S242 WeakPolarHBondContact CA-O 3.43Å; Y214-S242 PolarHBondContact N-O 3.05Å; S242-H244 PolarHBondContact OG-NE2 3.06Å
243	L	98.5	Very high	96.8	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.2	-176.2	-55	-179.5	0	0	0	108.8	Y214 L222 C241 Y259 I260 T261	Y214-L243 HydrophobicContact CD1-CD2 4.1Å; Y214-L243 CarbonylContact O-C 3.06Å; Y214-L243 WeakPolarHBondContact O-CA 3.43Å; L222-L243 HydrophobicContact CD1-CB 4.18Å; L222-L243 HydrophobicContact CD1-CD1 4.34Å; C241-L243 HydrophobicContact CB-CD2 4.48Å; L243-Y259 WeakPolarHBondContact CB-O 3.35Å; L243-Y259 PolarHBondContact N-O 3.21Å; L243-I260 HydrophobicContact CB-CG1 3.85Å; L243-I260 HydrophobicContact CD1-CG1 4.43Å; L243-I260 CarbonylContact O-C 3.55Å; L243-I260 VanDerWaalsContact O-CA 3.27Å; L243-I260 WeakPolarHBondContact O-CA 3.35Å; L243-T261 PolarHBondContact O-N 3.39Å
244	H	98.5	Very high	96.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.7	-174.2	-68.4	-106.3	0	0	0	111.4	Y214 S215 A216 S242 T261 I265 E269	Y214-H244 PolarHBondContact O-N 2.68Å; S215-H244 CarbonylContact C-O 3.57Å; S215-H244 VanDerWaalsContact CA-O 3.29Å; S215-H244 WeakPolarHBondContact CA-O 3.21Å; S215-H244 PolarHBondContact OG-O 3.05Å; A216-H244 PolarHBondContact N-O 3.41Å; S242-H244 PolarHBondContact OG-NE2 3.06Å; H244-T261 VanDerWaalsContact CA-O 3.31Å; H244-T261 WeakPolarHBondContact CA-O 3.37Å; H244-I265 HydrophobicContact CB-CG1 4.07Å; H244-I265 VanDerWaalsContact CD2-CG1 3.43Å; H244-I265 WeakPolarHBondContact CD2-CG1 3.25Å; H244-I265 PolarHBondContact ND1-N 3.12Å; H244-E269 IonicContact CE1-OE1 2.68Å; H244-E269 PolarHBondContact CE1-OE1 2.79Å; H244-E269 IonicContact CE1-OE2 3.16Å; H244-E269 IonicContact NE2-OE1 2.78Å; H244-E269 PolarHBondContact NE2-OE1 2.66Å; H244-E269 VanDerWaalsContact NE2-OE1 3.16Å
245	V	98.3	Very high	96.2	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.9	177.7	-66.7	0	0	0	0	110.8	T219 L222 Q248 I260 T261 E262 G263	T219-V245 HydrophobicContact CG2-CG1 4.17Å; L222-V245 HydrophobicContact CD1-CG1 3.99Å; L222-V245 HydrophobicContact CG-CG1 4.42Å; V245-Q248 HydrophobicContact CB-CB 4.19Å; V245-Q248 HydrophobicContact CG2-CB 3.73Å; V245-Q248 HydrophobicContact CG2-CG 4.22Å; V245-I260 HydrophobicContact CG1-CG2 4.44Å; V245-I260 HydrophobicContact CG2-CG2 3.66Å; V245-T261 PolarHBondContact N-O 3.07Å; V245-T261 VanDerWaalsContact N-O 3.12Å; V245-E262 HydrophobicContact CG2-CG 3.95Å; V245-G263 CarbonylContact C-O 3.58Å; V245-G263 PolarHBondContact O-N 3Å
246	T	97	Very high	95.9	Very high	57 Å²	57	63.6 Å²	63.6	35%	0.35	35%	0.352	S	S	.	.	S	Bend	trans	-96.7	-15.2	-169.2	51.3	0	0	0	0	114.9	A216 K217 G263 R264	A216-T246 PolarHBondContact O-N 3.5Å; A216-T246 VanDerWaalsContact O-N 3.11Å; A216-T246 PolarHBondContact O-OG1 2.88Å; K217-T246 PolarHBondContact O-N 3.1Å; T246-G263 VanDerWaalsContact CG2-O 3.27Å; T246-G263 WeakPolarHBondContact CG2-O 3.45Å; T246-R264 HydrophobicContact CG2-CG 3.82Å
247	K	96.4	Very high	95.8	Very high	142 Å²	142	66.7 Å²	66.7	62%	0.617	36%	0.357	S	S	*	.	S	Bend	trans	-150.1	50.9	-178	-59.5	-170	178	-169.2	0	110	K217	K217-K247 HydrophobicContact CG-CB 3.94Å; K217-K247 HydrophobicContact CG-CD 4.44Å; K217-K247 HydrophobicContact CG-CG 4.49Å; K217-K247 CarbonylContact O-C 3.59Å; K217-K247 VanDerWaalsContact O-C 3.25Å; K217-K247 WeakPolarHBondContact O-CA 3.5Å; K217-K247 PolarHBondContact O-N 3.08Å
248	Q	96.6	Very high	95.7	Very high	25 Å²	25	63.5 Å²	63.5	12%	0.117	35%	0.351	C	S	.	.			trans	-71	133.7	174.1	-170.1	64	15.4	0	0	109.6	N218 T219 V245 T250 I252	N218-Q248 VanDerWaalsContact CB-OE1 3.22Å; T219-Q248 PolarHBondContact OG1-NE2 3.49Å; T219-Q248 VanDerWaalsContact OG1-NE2 3.14Å; V245-Q248 HydrophobicContact CB-CB 4.19Å; V245-Q248 HydrophobicContact CG2-CB 3.73Å; V245-Q248 HydrophobicContact CG2-CG 4.22Å; Q248-T250 WeakPolarHBondContact CG-O 3.41Å; Q248-T250 PolarHBondContact NE2-O 2.78Å; Q248-T250 PolarHBondContact NE2-OG1 3.48Å; Q248-I252 HydrophobicContact CG-CD1 4.26Å; Q248-I252 HydrophobicContact CG-CG1 4.04Å
249	T	92.9	Very high	95.6	Very high	126 Å²	126	63.4 Å²	63.4	77%	0.773	35%	0.349	S	S	*	.			trans	-133.3	-4.3	179.7	58.6	0	0	0	0	112.9
250	T	92.8	Very high	95.5	Very high	88 Å²	88	64.3 Å²	64.3	54%	0.54	35%	0.354	S	S	.	.	S	Bend	trans	-120	159.7	178.3	55.8	0	0	0	0	109.5	Q248 I252	Q248-T250 WeakPolarHBondContact CG-O 3.41Å; Q248-T250 PolarHBondContact NE2-O 2.78Å; Q248-T250 PolarHBondContact NE2-OG1 3.48Å; T250-I252 PolarHBondContact O-N 3.35Å
251	Q	93.2	Very high	95.4	Very high	188 Å²	188	65.4 Å²	65.4	88%	0.879	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-61.1	133.2	178	-171.9	172.6	-0.4	0	0	111.2
252	I	94.2	Very high	95.3	Very high	28 Å²	28	71.1 Å²	71.1	14%	0.144	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-74.4	133.6	171.3	-65.4	160.9	0	0	0	108.4	T219 Q248 T250 L256 K257 I260 E262	T219-I252 HydrophobicContact CG2-CG1 4.02Å; Q248-I252 HydrophobicContact CG-CD1 4.26Å; Q248-I252 HydrophobicContact CG-CG1 4.04Å; T250-I252 PolarHBondContact O-N 3.35Å; I252-L256 HydrophobicContact CG2-CB 4.12Å; I252-K257 HydrophobicContact CG2-CB 4.24Å; I252-I260 HydrophobicContact CD1-CB 4.43Å; I252-I260 HydrophobicContact CD1-CG2 3.68Å; I252-I260 HydrophobicContact CG1-CD1 4.49Å; I252-I260 HydrophobicContact CG2-CD1 3.66Å; I252-E262 HydrophobicContact CD1-CG 4.23Å
253	S	93.2	Very high	95.2	Very high	54 Å²	54	72 Å²	72	38%	0.378	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63.5	150.4	177.6	60	0	0	0	0	111.8	E255 L256 K257	S253-E255 PolarHBondContact O-N 2.81Å; S253-L256 PolarHBondContact O-N 3.45Å; S253-L256 VanDerWaalsContact O-N 3.12Å; S253-L256 WeakPolarHBondContact OG-CG 3.45Å; S253-K257 PolarHBondContact O-N 2.68Å
254	A	93.2	Very high	95.1	Very high	89 Å²	89	81.5 Å²	81.5	74%	0.736	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.2	-179.6	0	0	0	0	0	112.5	P258	A254-P258 WeakPolarHBondContact O-CD 3.43Å
255	E	90.9	Very high	95.1	Very high	134 Å²	134	82 Å²	82	63%	0.626	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-42	175.9	-177.4	-171.3	-174.9	0	0	113.4	S253 P258	S253-E255 PolarHBondContact O-N 2.81Å; E255-P258 WeakPolarHBondContact O-CD 3.42Å
256	L	92.8	Very high	94.9	Very high	13 Å²	13	85 Å²	85	7%	0.068	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-19.8	-177.1	-60.3	178.2	0	0	0	113.1	K225 L229 I252 S253 P258 Y259 I260	K225-L256 HydrophobicContact CB-CD2 4.43Å; K225-L256 HydrophobicContact CD-CD1 3.9Å; K225-L256 HydrophobicContact CD-CD2 4.43Å; L229-L256 HydrophobicContact CD1-CD2 3.68Å; I252-L256 HydrophobicContact CG2-CB 4.12Å; S253-L256 PolarHBondContact O-N 3.45Å; S253-L256 VanDerWaalsContact O-N 3.12Å; S253-L256 WeakPolarHBondContact OG-CG 3.45Å; L256-P258 VanDerWaalsContact C-CD 3.42Å; L256-Y259 PolarHBondContact O-N 3.19Å; L256-I260 HydrophobicContact CB-CD1 3.57Å; L256-I260 HydrophobicContact CB-CG1 4.41Å; L256-I260 HydrophobicContact CD1-CD1 4.32Å; L256-I260 WeakPolarHBondContact O-CG1 3.37Å; L256-I260 PolarHBondContact O-N 3.31Å
257	K	93.9	Very high	94.8	Very high	151 Å²	151	84.7 Å²	84.7	66%	0.657	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-54.9	-38.1	-175.2	-168.2	178	179.9	-176.4	0	114.6	I252 S253 Y259	I252-K257 HydrophobicContact CG2-CB 4.24Å; S253-K257 PolarHBondContact O-N 2.68Å; K257-Y259 PolarHBondContact O-N 3.04Å
258	P	95.3	Very high	94.6	Very high	105 Å²	105	84.7 Å²	84.7	68%	0.682	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.4	176.4	-22.7	34.8	0	0	0	114.3	A254 E255 L256	A254-P258 WeakPolarHBondContact O-CD 3.43Å; E255-P258 WeakPolarHBondContact O-CD 3.42Å; L256-P258 VanDerWaalsContact C-CD 3.42Å
259	Y	95.3	Very high	94.6	Very high	61 Å²	61	85.4 Å²	85.4	24%	0.239	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-104.4	-9.5	-173.4	-52.3	-82.3	0	0	0	113.3	L229 V232 L243 L256 K257	L229-Y259 HydrophobicContact CD1-CD2 4.11Å; L229-Y259 HydrophobicContact CD1-CE2 4.07Å; L229-Y259 HydrophobicContact CD2-CD1 3.72Å; L229-Y259 HydrophobicContact CD2-CD2 3.7Å; L229-Y259 HydrophobicContact CD2-CE1 3.75Å; L229-Y259 HydrophobicContact CD2-CE2 3.74Å; L229-Y259 HydrophobicContact CD2-CG 3.68Å; V232-Y259 HydrophobicContact CG1-CE1 4.33Å; L243-Y259 WeakPolarHBondContact CB-O 3.35Å; L243-Y259 PolarHBondContact N-O 3.21Å; L256-Y259 PolarHBondContact O-N 3.19Å; K257-Y259 PolarHBondContact O-N 3.04Å
260	I	96.6	Very high	94.7	Very high	22 Å²	22	79.7 Å²	79.7	11%	0.113	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.8	-173.1	-70.4	169.1	0	0	0	112.7	T219 L222 L243 V245 I252 L256	T219-I260 HydrophobicContact CG2-CD1 3.53Å; L222-I260 HydrophobicContact CD1-CD1 4.31Å; L243-I260 HydrophobicContact CB-CG1 3.85Å; L243-I260 HydrophobicContact CD1-CG1 4.43Å; L243-I260 CarbonylContact O-C 3.55Å; L243-I260 VanDerWaalsContact O-CA 3.27Å; L243-I260 WeakPolarHBondContact O-CA 3.35Å; V245-I260 HydrophobicContact CG1-CG2 4.44Å; V245-I260 HydrophobicContact CG2-CG2 3.66Å; I252-I260 HydrophobicContact CD1-CB 4.43Å; I252-I260 HydrophobicContact CD1-CG2 3.68Å; I252-I260 HydrophobicContact CG1-CD1 4.49Å; I252-I260 HydrophobicContact CG2-CD1 3.66Å; L256-I260 HydrophobicContact CB-CD1 3.57Å; L256-I260 HydrophobicContact CB-CG1 4.41Å; L256-I260 HydrophobicContact CD1-CD1 4.32Å; L256-I260 WeakPolarHBondContact O-CG1 3.37Å; L256-I260 PolarHBondContact O-N 3.31Å
261	T	97	Very high	94.8	Very high	63 Å²	63	80.6 Å²	80.6	39%	0.387	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.6	163.7	-60.7	0	0	0	0	109.6	L243 H244 V245	L243-T261 PolarHBondContact O-N 3.39Å; H244-T261 VanDerWaalsContact CA-O 3.31Å; H244-T261 WeakPolarHBondContact CA-O 3.37Å; V245-T261 PolarHBondContact N-O 3.07Å; V245-T261 VanDerWaalsContact N-O 3.12Å
262	E	96.6	Very high	94.9	Very high	132 Å²	132	77.2 Å²	77.2	62%	0.617	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	128	169.8	-63.9	-161.8	-127.8	0	0	110.3	V245 I252	V245-E262 HydrophobicContact CG2-CG 3.95Å; I252-E262 HydrophobicContact CD1-CG 4.23Å
263	G	96.3	Very high	95	Very high	31 Å²	31	78.8 Å²	78.8	32%	0.32	40%	0.401	S	S	.	.	S	Bend	trans	127	-162	-175.5	0	0	0	0	0	113.6	V245 T246	V245-G263 CarbonylContact C-O 3.58Å; V245-G263 PolarHBondContact O-N 3Å; T246-G263 VanDerWaalsContact CG2-O 3.27Å; T246-G263 WeakPolarHBondContact CG2-O 3.45Å
264	R	96.5	Very high	95.2	Very high	201 Å²	201	78.9 Å²	78.9	76%	0.758	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-96.5	155.2	171.2	-69.9	-176.4	175.1	90.1	-3.7	109.6	T246 T266	T246-R264 HydrophobicContact CG2-CG 3.82Å; R264-T266 PolarHBondContact O-N 2.67Å
265	I	97.6	Very high	95.4	Very high	11 Å²	11	76.6 Å²	76.6	6%	0.056	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-56.8	132.8	164.1	-56.9	156.1	0	0	0	107.8	I175 F213 H244 I270 F292	I175-I265 HydrophobicContact CG2-CD1 4.22Å; F213-I265 HydrophobicContact CB-CD1 3.8Å; F213-I265 HydrophobicContact CB-CG1 4.13Å; F213-I265 HydrophobicContact CB-CG2 4.09Å; F213-I265 HydrophobicContact CD1-CG2 4.04Å; F213-I265 HydrophobicContact CG-CG2 4.2Å; H244-I265 HydrophobicContact CB-CG1 4.07Å; H244-I265 VanDerWaalsContact CD2-CG1 3.43Å; H244-I265 WeakPolarHBondContact CD2-CG1 3.25Å; H244-I265 PolarHBondContact ND1-N 3.12Å; I265-I270 HydrophobicContact CG2-CD1 3.92Å; I265-I270 HydrophobicContact CG2-CG1 4.2Å; I265-F292 HydrophobicContact CB-CE2 4.37Å; I265-F292 HydrophobicContact CB-CZ 3.8Å; I265-F292 HydrophobicContact CG2-CE1 4.17Å; I265-F292 HydrophobicContact CG2-CE2 4.44Å; I265-F292 HydrophobicContact CG2-CZ 3.65Å
266	T	95.4	Very high	95.6	Very high	65 Å²	65	78.3 Å²	78.3	40%	0.399	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-100.5	158	-176.2	68	0	0	0	0	112.5	R264 K268 E269	R264-T266 PolarHBondContact O-N 2.67Å; T266-K268 PolarHBondContact O-N 2.79Å; T266-E269 WeakPolarHBondContact CB-OE2 3.36Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.35Å; T266-E269 PolarHBondContact N-OE2 3.14Å; T266-E269 PolarHBondContact O-N 3.2Å; T266-E269 WeakPolarHBondContact OG1-CG 3.47Å; T266-E269 PolarHBondContact OG1-N 3.39Å; T266-E269 PolarHBondContact OG1-OE2 2.8Å
267	E	93.3	Very high	95.8	Very high	49 Å²	49	82.1 Å²	82.1	23%	0.229	40%	0.398	C	S	.	.	H	α-helix	trans	-59.9	-34.6	172.8	-172.4	-166.9	141.9	0	0	111.9	I270 R271 F291 Q295 H299	E267-I270 PolarHBondContact O-N 2.98Å; E267-R271 WeakPolarHBondContact O-CB 3.47Å; E267-R271 PolarHBondContact O-N 3.43Å; E267-R271 IonicContact OE1-CZ 3.16Å; E267-R271 IonicContact OE1-NH1 2.67Å; E267-R271 IonicContact OE1-NH2 2.7Å; E267-R271 PolarHBondContact OE1-NH2 3.06Å; E267-F291 HydrophobicContact CB-CZ 4.37Å; E267-Q295 HydrophobicContact CG-CB 4.26Å; E267-Q295 HydrophobicContact CG-CG 4.1Å; E267-Q295 PolarHBondContact OE2-NE2 2.95Å; E267-Q295 VanDerWaalsContact OE2-NE2 3.1Å; E267-H299 IonicContact OE1-CD2 3.38Å; E267-H299 IonicContact OE1-CE1 2.63Å; E267-H299 IonicContact OE1-NE2 2.78Å; E267-H299 PolarHBondContact OE1-NE2 2.9Å
268	K	94.2	Very high	96	Very high	143 Å²	143	75.1 Å²	75.1	62%	0.622	37%	0.367	S	S	*	.	H	α-helix	trans	-59.7	-49.7	-179.6	-174.6	-175.1	174.9	-172.3	0	111.2	T266 I270 R271 D272	T266-K268 PolarHBondContact O-N 2.79Å; K268-I270 PolarHBondContact O-N 2.68Å; K268-R271 WeakPolarHBondContact O-CB 3.43Å; K268-R271 PolarHBondContact O-N 3.05Å; K268-R271 VanDerWaalsContact O-N 3.14Å; K268-D272 PolarHBondContact O-N 3.29Å
269	E	94.8	Very high	96.2	Very high	40 Å²	40	71.1 Å²	71.1	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-35.5	-179.5	-69.2	165.6	88.5	0	0	113.1	F213 H244 T266 H273	F213-E269 HydrophobicContact CE1-CB 3.7Å; F213-E269 HydrophobicContact CE1-CG 4.4Å; F213-E269 HydrophobicContact CZ-CB 4.05Å; H244-E269 IonicContact CE1-OE1 2.68Å; H244-E269 PolarHBondContact CE1-OE1 2.79Å; H244-E269 IonicContact CE1-OE2 3.16Å; H244-E269 IonicContact NE2-OE1 2.78Å; H244-E269 PolarHBondContact NE2-OE1 2.66Å; H244-E269 VanDerWaalsContact NE2-OE1 3.16Å; T266-E269 WeakPolarHBondContact CB-OE2 3.36Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.35Å; T266-E269 PolarHBondContact N-OE2 3.14Å; T266-E269 PolarHBondContact O-N 3.2Å; T266-E269 WeakPolarHBondContact OG1-CG 3.47Å; T266-E269 PolarHBondContact OG1-N 3.39Å; T266-E269 PolarHBondContact OG1-OE2 2.8Å; E269-H273 PolarHBondContact O-CE1 2.9Å; E269-H273 PolarHBondContact O-ND1 3.18Å
270	I	96.4	Very high	96.3	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-76	-38.5	177.5	-56.2	-50.2	0	0	0	111.3	V173 I175 F213 I265 E267 K268 D272 H273 F280 F292 L296	V173-I270 HydrophobicContact CG1-CD1 4.41Å; I175-I270 HydrophobicContact CD1-CD1 3.64Å; I175-I270 HydrophobicContact CD1-CG1 4.01Å; I175-I270 HydrophobicContact CD1-CG2 4.15Å; I175-I270 HydrophobicContact CG1-CD1 4.12Å; F213-I270 HydrophobicContact CB-CD1 4.45Å; F213-I270 HydrophobicContact CD1-CD1 4.3Å; F213-I270 HydrophobicContact CD2-CD1 3.44Å; F213-I270 VanDerWaalsContact CD2-CD1 3.44Å; F213-I270 HydrophobicContact CE1-CD1 4.45Å; F213-I270 HydrophobicContact CE2-CD1 3.58Å; F213-I270 HydrophobicContact CG-CD1 3.82Å; F213-I270 HydrophobicContact CZ-CD1 4.1Å; I265-I270 HydrophobicContact CG2-CD1 3.92Å; I265-I270 HydrophobicContact CG2-CG1 4.2Å; E267-I270 PolarHBondContact O-N 2.98Å; K268-I270 PolarHBondContact O-N 2.68Å; I270-D272 VanDerWaalsContact C-N 3.27Å; I270-D272 PolarHBondContact O-N 2.96Å; I270-H273 PolarHBondContact O-N 3.2Å; I270-H273 VanDerWaalsContact O-N 3.08Å; I270-F280 HydrophobicContact CG2-CD1 4.27Å; I270-F280 HydrophobicContact CG2-CE1 3.81Å; I270-F292 HydrophobicContact CG1-CD1 3.84Å; I270-F292 HydrophobicContact CG1-CE1 3.58Å; I270-F292 HydrophobicContact CG1-CZ 4.46Å; I270-L296 HydrophobicContact CG2-CD2 3.91Å
271	R	94.8	Very high	96.4	Very high	108 Å²	108	67.8 Å²	67.8	41%	0.408	33%	0.326	S	S	.	.	H	α-helix	trans	-56.1	-40.8	-179.7	-167.1	-163.5	-46.6	-94.4	-13.3	112.5	E267 K268 H273 I274 H299	E267-R271 WeakPolarHBondContact O-CB 3.47Å; E267-R271 PolarHBondContact O-N 3.43Å; E267-R271 IonicContact OE1-CZ 3.16Å; E267-R271 IonicContact OE1-NH1 2.67Å; E267-R271 IonicContact OE1-NH2 2.7Å; E267-R271 PolarHBondContact OE1-NH2 3.06Å; K268-R271 WeakPolarHBondContact O-CB 3.43Å; K268-R271 PolarHBondContact O-N 3.05Å; K268-R271 VanDerWaalsContact O-N 3.14Å; R271-H273 PolarHBondContact O-N 3.41Å; R271-I274 HydrophobicContact CG-CD1 4.48Å; R271-I274 WeakPolarHBondContact O-CB 3.37Å; R271-I274 PolarHBondContact O-N 3.47Å; R271-I274 VanDerWaalsContact O-N 3.09Å; R271-H299 PolarHBondContact NH1-CE1 3.28Å; R271-H299 PolarHBondContact NH1-NE2 2.95Å
272	D	94.9	Very high	96.5	Very high	116 Å²	116	64.8 Å²	64.8	62%	0.62	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.5	-178.1	-60.8	-18.4	0	0	0	113.1	K268 I270	K268-D272 PolarHBondContact O-N 3.29Å; I270-D272 VanDerWaalsContact C-N 3.27Å; I270-D272 PolarHBondContact O-N 2.96Å
273	H	97.1	Very high	96.6	Very high	62 Å²	62	58.5 Å²	58.5	29%	0.287	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	4.4	178.4	-58.7	77	0	0	0	113.6	V173 F213 E269 I270 R271 S275 T278	V173-H273 HydrophobicContact CG2-CB 3.6Å; F213-H273 AromaticContact CZ-CE1 3.64Å; F213-H273 AromaticContact CZ-ND1 3.92Å; E269-H273 PolarHBondContact O-CE1 2.9Å; E269-H273 PolarHBondContact O-ND1 3.18Å; I270-H273 PolarHBondContact O-N 3.2Å; I270-H273 VanDerWaalsContact O-N 3.08Å; R271-H273 PolarHBondContact O-N 3.41Å; H273-S275 PolarHBondContact O-N 3.02Å; H273-T278 WeakPolarHBondContact O-CB 3.38Å; H273-T278 WeakPolarHBondContact O-CG2 3.38Å; H273-T278 PolarHBondContact O-OG1 3.28Å
274	I	97.5	Very high	96.6	Very high	55 Å²	55	57.4 Å²	57.4	28%	0.282	27%	0.267	S	S	.	.			trans	-75.6	113.8	179.7	-65.1	177	0	0	0	110.3	R271 F280 L296 H299 V301	R271-I274 HydrophobicContact CG-CD1 4.48Å; R271-I274 WeakPolarHBondContact O-CB 3.37Å; R271-I274 PolarHBondContact O-N 3.47Å; R271-I274 VanDerWaalsContact O-N 3.09Å; I274-F280 HydrophobicContact CG1-CZ 3.84Å; I274-L296 HydrophobicContact CD1-CD2 4.09Å; I274-L296 HydrophobicContact CG1-CD2 4.16Å; I274-H299 HydrophobicContact CD1-CB 3.6Å; I274-V301 HydrophobicContact CD1-CG2 4.11Å; I274-V301 HydrophobicContact CG1-CG2 4.16Å; I274-V301 HydrophobicContact CG2-CG2 3.68Å
275	S	96.7	Very high	96.5	Very high	41 Å²	41	51 Å²	51	29%	0.287	25%	0.251	S	S	.	.			trans	-141.6	172.1	169.9	96.1	0	0	0	0	110.1	H273 E277 T278	H273-S275 PolarHBondContact O-N 3.02Å; S275-E277 VanDerWaalsContact CB-OE2 3.31Å; S275-E277 WeakPolarHBondContact CB-OE2 3.41Å; S275-E277 PolarHBondContact O-N 3.41Å; S275-E277 PolarHBondContact OG-N 3.27Å; S275-E277 VanDerWaalsContact OG-N 3.11Å; S275-E277 PolarHBondContact OG-OE2 3.24Å; S275-T278 PolarHBondContact O-N 2.79Å; S275-T278 PolarHBondContact OG-N 3.39Å; S275-T278 PolarHBondContact OG-OG1 2.61Å
276	K	95.1	Very high	96.3	Very high	171 Å²	171	52.9 Å²	52.9	74%	0.743	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.9	176.2	-65.6	178.5	179.2	179.4	0	112.1	R170 H305	R170-K276 PolarHBondContact NH1-O 2.83Å; R170-K276 VanDerWaalsContact NH1-O 3.14Å; K276-H305 PolarHBondContact O-CE1 2.9Å
277	E	96.5	Very high	96.2	Very high	93 Å²	93	54.6 Å²	54.6	44%	0.435	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.6	-176.7	-55.1	69	-150.2	0	0	111.9	R170 N171 S275	R170-E277 CarbonylContact C-O 3.42Å; R170-E277 WeakPolarHBondContact CA-O 3.25Å; R170-E277 WeakPolarHBondContact CB-O 3.45Å; R170-E277 VanDerWaalsContact CD-O 3.23Å; R170-E277 WeakPolarHBondContact CD-O 3.41Å; N171-E277 PolarHBondContact N-O 3.03Å; S275-E277 VanDerWaalsContact CB-OE2 3.31Å; S275-E277 WeakPolarHBondContact CB-OE2 3.41Å; S275-E277 PolarHBondContact O-N 3.41Å; S275-E277 PolarHBondContact OG-N 3.27Å; S275-E277 VanDerWaalsContact OG-N 3.11Å; S275-E277 PolarHBondContact OG-OE2 3.24Å
278	T	98.5	Very high	96.3	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.6	-179.8	-54.1	0	0	0	0	112.4	N171 V173 H273 S275 F280	N171-T278 HydrophobicContact CB-CG2 4.46Å; N171-T278 CarbonylContact O-C 3.38Å; N171-T278 WeakPolarHBondContact O-CA 3.38Å; V173-T278 HydrophobicContact CB-CG2 4.18Å; V173-T278 HydrophobicContact CG2-CG2 3.56Å; H273-T278 WeakPolarHBondContact O-CB 3.38Å; H273-T278 WeakPolarHBondContact O-CG2 3.38Å; H273-T278 PolarHBondContact O-OG1 3.28Å; S275-T278 PolarHBondContact O-N 2.79Å; S275-T278 PolarHBondContact OG-N 3.39Å; S275-T278 PolarHBondContact OG-OG1 2.61Å; T278-F280 HydrophobicContact CG2-CD2 4.01Å; T278-F280 HydrophobicContact CG2-CE1 4.05Å; T278-F280 HydrophobicContact CG2-CE2 3.48Å; T278-F280 VanDerWaalsContact CG2-CE2 3.48Å; T278-F280 HydrophobicContact CG2-CG 4.49Å; T278-F280 HydrophobicContact CG2-CZ 3.5Å
279	L	98.6	Very high	96.4	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.6	162.9	-58.6	177.6	0	0	0	109.9	F161 R170 N171 L172 V173 Y281 H305	F161-L279 HydrophobicContact CD2-CD1 4.49Å; F161-L279 HydrophobicContact CE2-CD1 4.33Å; R170-L279 HydrophobicContact CB-CD1 4.05Å; R170-L279 HydrophobicContact CB-CG 4.07Å; R170-L279 HydrophobicContact CG-CD1 3.97Å; R170-L279 HydrophobicContact CG-CG 4.09Å; N171-L279 PolarHBondContact O-N 2.93Å; L172-L279 WeakPolarHBondContact CA-O 3.49Å; L172-L279 HydrophobicContact CD2-CB 3.98Å; L172-L279 HydrophobicContact CD2-CD1 4.17Å; V173-L279 PolarHBondContact N-O 2.91Å; L279-Y281 HydrophobicContact CB-CD2 4.32Å; L279-Y281 HydrophobicContact CB-CE2 3.87Å; L279-Y281 HydrophobicContact CD1-CE2 4.21Å; L279-H305 HydrophobicContact CD2-CB 3.98Å; L279-H305 VanDerWaalsContact CD2-CD2 3.46Å; L279-H305 WeakPolarHBondContact CD2-CD2 3.29Å
280	F	98.8	Very high	96.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.8	177.6	-64.9	-93.8	0	0	0	109.8	V173 I270 I274 T278 L296 V301 H305 C307	V173-F280 HydrophobicContact CB-CD1 3.53Å; V173-F280 HydrophobicContact CB-CE1 3.67Å; V173-F280 HydrophobicContact CB-CG 4.35Å; V173-F280 HydrophobicContact CG1-CD1 3.66Å; V173-F280 HydrophobicContact CG1-CE1 3.79Å; V173-F280 HydrophobicContact CG2-CD1 4.2Å; V173-F280 HydrophobicContact CG2-CE1 3.81Å; V173-F280 HydrophobicContact CG2-CZ 4.41Å; V173-F280 WeakPolarHBondContact O-CA 3.39Å; I270-F280 HydrophobicContact CG2-CD1 4.27Å; I270-F280 HydrophobicContact CG2-CE1 3.81Å; I274-F280 HydrophobicContact CG1-CZ 3.84Å; T278-F280 HydrophobicContact CG2-CD2 4.01Å; T278-F280 HydrophobicContact CG2-CE1 4.05Å; T278-F280 HydrophobicContact CG2-CE2 3.48Å; T278-F280 VanDerWaalsContact CG2-CE2 3.48Å; T278-F280 HydrophobicContact CG2-CG 4.49Å; T278-F280 HydrophobicContact CG2-CZ 3.5Å; F280-L296 HydrophobicContact CB-CD1 3.69Å; F280-L296 HydrophobicContact CD1-CD1 3.73Å; F280-L296 HydrophobicContact CD1-CD2 3.7Å; F280-L296 HydrophobicContact CD1-CG 4.39Å; F280-L296 HydrophobicContact CD2-CD1 4.17Å; F280-L296 HydrophobicContact CD2-CD2 3.99Å; F280-L296 HydrophobicContact CE1-CD1 4.45Å; F280-L296 HydrophobicContact CE1-CD2 3.56Å; F280-L296 HydrophobicContact CE2-CD2 3.84Å; F280-L296 HydrophobicContact CG-CD1 3.58Å; F280-L296 HydrophobicContact CG-CD2 3.93Å; F280-L296 HydrophobicContact CG-CG 4.42Å; F280-L296 HydrophobicContact CZ-CD2 3.64Å; F280-V301 HydrophobicContact CD2-CG1 3.98Å; F280-V301 HydrophobicContact CE2-CG1 4Å; F280-V301 HydrophobicContact CE2-CG2 4.32Å; F280-H305 PolarHBondContact N-O 2.74Å; F280-C307 PolarHBondContact O-N 2.77Å; F280-C307 VanDerWaalsContact O-O 3.12Å
281	Y	98.8	Very high	96.4	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.6	176.5	-75.9	-92.7	0	0	0	109.5	F159 F160 F161 L172 V173 L174 I175 L184 I187 L279 C307	F159-Y281 HydrophobicContact CD2-CD1 4.25Å; F159-Y281 HydrophobicContact CE1-CD1 4.37Å; F159-Y281 AromaticContact CE2-CD1 3.64Å; F159-Y281 HydrophobicContact CE2-CD1 3.64Å; F159-Y281 HydrophobicContact CE2-CG 4.42Å; F159-Y281 AromaticContact CZ-CD1 3.73Å; F159-Y281 HydrophobicContact CZ-CD1 3.73Å; F159-Y281 HydrophobicContact CZ-CG 4.35Å; F160-Y281 VanDerWaalsContact O-CE1 3.28Å; F160-Y281 WeakPolarHBondContact O-CE1 3.49Å; F160-Y281 PolarHBondContact O-OH 3.23Å; F161-Y281 HydrophobicContact CB-CE1 4.44Å; F161-Y281 HydrophobicContact CB-CE2 4.43Å; F161-Y281 HydrophobicContact CD2-CE2 4.21Å; L172-Y281 HydrophobicContact CD2-CD2 4.39Å; L172-Y281 HydrophobicContact CD2-CE2 4.03Å; V173-Y281 PolarHBondContact O-N 3.24Å; L174-Y281 CarbonylContact C-O 3.5Å; L174-Y281 WeakPolarHBondContact CA-O 3.5Å; L174-Y281 HydrophobicContact CD2-CD2 4.25Å; L174-Y281 HydrophobicContact CD2-CG 4.34Å; I175-Y281 PolarHBondContact N-O 2.84Å; L184-Y281 WeakPolarHBondContact CD2-O 3.45Å; I187-Y281 HydrophobicContact CD1-CD1 3.55Å; I187-Y281 HydrophobicContact CD1-CE1 3.9Å; I187-Y281 HydrophobicContact CD1-CG 4Å; L279-Y281 HydrophobicContact CB-CD2 4.32Å; L279-Y281 HydrophobicContact CB-CE2 3.87Å; L279-Y281 HydrophobicContact CD1-CE2 4.21Å; Y281-C307 WeakPolarHBondContact CA-O 3.32Å; Y281-C307 HydrophobicContact CD1-CB 3.58Å; Y281-C307 HydrophobicContact CE1-CB 3.66Å; Y281-C307 HydrophobicContact CG-CB 4.15Å
282	I	98.6	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	-168.4	-47.1	173.5	0	0	0	110.5	I175 M288 T289 F292 L296 I306 C307 F308 E309	I175-I282 HydrophobicContact CB-CB 4.49Å; I175-I282 HydrophobicContact CB-CG1 4.27Å; I175-I282 HydrophobicContact CB-CG2 4.18Å; I175-I282 HydrophobicContact CD1-CD1 4.48Å; I175-I282 HydrophobicContact CD1-CG1 4.23Å; I175-I282 HydrophobicContact CG1-CG1 4.46Å; I175-I282 HydrophobicContact CG2-CG2 4.4Å; I282-M288 HydrophobicContact CG2-CE 4.27Å; I282-T289 HydrophobicContact CG2-CG2 4.08Å; I282-F292 HydrophobicContact CD1-CB 3.92Å; I282-L296 HydrophobicContact CD1-CD1 3.8Å; I282-I306 HydrophobicContact CD1-CG2 4.14Å; I282-C307 PolarHBondContact N-O 2.82Å; I282-F308 HydrophobicContact CB-CB 4.04Å; I282-F308 WeakPolarHBondContact O-CA 3.47Å; I282-F308 WeakPolarHBondContact O-CB 3.37Å; I282-E309 PolarHBondContact O-N 2.82Å
283	C	98.1	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	130.4	176.7	-171.8	0	0	0	0	111.7	F159 I175 A176 G177 G180 P183 L184 M288	F159-C283 HydrophobicContact CE1-CB 4.5Å; F159-C283 HydrophobicContact CZ-CB 4.38Å; I175-C283 PolarHBondContact O-N 3.17Å; A176-C283 CarbonylContact C-O 3.6Å; A176-C283 WeakPolarHBondContact CA-O 3.23Å; G177-C283 PolarHBondContact N-O 3.29Å; G180-C283 WeakPolarHBondContact CA-O 3.41Å; G180-C283 VanDerWaalsContact CA-SG 3.55Å; G180-C283 WeakPolarHBondContact O-CB 3.47Å; P183-C283 HydrophobicContact CG-CB 4.02Å; L184-C283 HydrophobicContact CD1-CB 4.11Å; L184-C283 HydrophobicContact CG-CB 4.27Å; C283-M288 WeakPolarHBondContact O-CE 3.34Å
284	G	96.2	Very high	96.5	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-158.5	-178.5	0	0	0	0	0	112.9	G177	G177-G284 WeakPolarHBondContact O-CA 3.38Å
285	P	94.4	Very high	96.4	Very high	67 Å²	67	45.2 Å²	45.2	44%	0.435	24%	0.236	S	C	.	.	S	Bend	trans	-59.4	138	178.5	-22.7	33.9	0	0	0	111.2	P287 M288 T289	P285-P287 VanDerWaalsContact C-CD 3.44Å; P285-P287 VanDerWaalsContact O-N 3.12Å; P285-M288 WeakPolarHBondContact O-CA 3.33Å; P285-M288 VanDerWaalsContact O-CB 3.29Å; P285-M288 WeakPolarHBondContact O-CB 3.27Å; P285-M288 PolarHBondContact O-N 3.44Å; P285-T289 PolarHBondContact O-N 3.28Å
286	P	93.6	Very high	96.5	Very high	50 Å²	50	43.4 Å²	43.4	33%	0.325	22%	0.223	S	C	.	.	H	α-helix	trans	-49.3	-42.9	-174.8	-28.6	33.8	0	0	0	115.5	M288 T289 D290	P286-M288 PolarHBondContact O-N 3.16Å; P286-M288 VanDerWaalsContact O-N 3.16Å; P286-T289 PolarHBondContact O-N 3.16Å; P286-T289 VanDerWaalsContact O-N 3.17Å; P286-D290 WeakPolarHBondContact O-CB 3.19Å; P286-D290 PolarHBondContact O-N 3.38Å
287	P	94.5	Very high	96.5	Very high	101 Å²	101	38.8 Å²	38.8	66%	0.656	20%	0.204	S	C	*	.	H	α-helix	trans	-61.7	-25.3	177.4	-23.6	35.1	0	0	0	114.8	P285 F291	P285-P287 VanDerWaalsContact C-CD 3.44Å; P285-P287 VanDerWaalsContact O-N 3.12Å; P287-F291 VanDerWaalsContact O-CB 3.23Å; P287-F291 WeakPolarHBondContact O-CB 3.4Å; P287-F291 PolarHBondContact O-N 3.36Å
288	M	95.3	Very high	96.5	Very high	31 Å²	31	38.3 Å²	38.3	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-77.1	-47.9	175.4	-172.7	-163.5	82.6	0	0	110.4	I175 I282 C283 P285 P286 F291 F292	I175-M288 HydrophobicContact CG2-CE 4.28Å; I282-M288 HydrophobicContact CG2-CE 4.27Å; C283-M288 WeakPolarHBondContact O-CE 3.34Å; P285-M288 WeakPolarHBondContact O-CA 3.33Å; P285-M288 VanDerWaalsContact O-CB 3.29Å; P285-M288 WeakPolarHBondContact O-CB 3.27Å; P285-M288 PolarHBondContact O-N 3.44Å; P286-M288 PolarHBondContact O-N 3.16Å; P286-M288 VanDerWaalsContact O-N 3.16Å; M288-F291 PolarHBondContact O-N 3.11Å; M288-F292 HydrophobicContact CG-CD2 3.87Å; M288-F292 HydrophobicContact CG-CE2 3.77Å; M288-F292 VanDerWaalsContact O-CD2 3.3Å; M288-F292 WeakPolarHBondContact O-CD2 3.41Å; M288-F292 PolarHBondContact O-N 3.34Å
289	T	95.3	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-45.9	178.2	-55.6	0	0	0	0	111.3	I282 P285 P286 F291 F292 S293 F308 K310	I282-T289 HydrophobicContact CG2-CG2 4.08Å; P285-T289 PolarHBondContact O-N 3.28Å; P286-T289 PolarHBondContact O-N 3.16Å; P286-T289 VanDerWaalsContact O-N 3.17Å; T289-F291 VanDerWaalsContact C-N 3.32Å; T289-F291 PolarHBondContact O-N 2.78Å; T289-F292 PolarHBondContact O-N 3.48Å; T289-S293 WeakPolarHBondContact O-CB 3.44Å; T289-S293 PolarHBondContact O-N 3.04Å; T289-F308 HydrophobicContact CG2-CB 3.55Å; T289-F308 HydrophobicContact CG2-CD2 3.93Å; T289-F308 HydrophobicContact CG2-CG 3.8Å; T289-K310 HydrophobicContact CG2-CG 4.06Å
290	D	95.4	Very high	96.3	Very high	78 Å²	78	48.3 Å²	48.3	42%	0.417	25%	0.25	S	C	.	.	H	α-helix	trans	-62.1	-39.6	177.6	-65.7	-26.1	0	0	0	111.8	P286 K294 K310	P286-D290 WeakPolarHBondContact O-CB 3.19Å; P286-D290 PolarHBondContact O-N 3.38Å; D290-K294 VanDerWaalsContact O-CB 3.25Å; D290-K294 WeakPolarHBondContact O-CB 3.43Å; D290-K294 PolarHBondContact O-N 3.28Å; D290-K294 VanDerWaalsContact O-N 3.16Å; D290-K310 VanDerWaalsContact OD1-CE 3.25Å; D290-K310 WeakPolarHBondContact OD1-CE 3.37Å; D290-K310 IonicContact OD1-NZ 3.02Å; D290-K310 PolarHBondContact OD1-NZ 3.2Å
291	F	96	Very high	96.2	Very high	86 Å²	86	48.9 Å²	48.9	38%	0.377	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-56.8	176.1	175.6	-98.5	0	0	0	111.7	E267 P287 M288 T289 K294 Q295	E267-F291 HydrophobicContact CB-CZ 4.37Å; P287-F291 VanDerWaalsContact O-CB 3.23Å; P287-F291 WeakPolarHBondContact O-CB 3.4Å; P287-F291 PolarHBondContact O-N 3.36Å; M288-F291 PolarHBondContact O-N 3.11Å; T289-F291 VanDerWaalsContact C-N 3.32Å; T289-F291 PolarHBondContact O-N 2.78Å; F291-K294 PolarHBondContact O-N 2.86Å; F291-Q295 HydrophobicContact CD2-CG 4.43Å; F291-Q295 HydrophobicContact CE1-CG 4.18Å; F291-Q295 HydrophobicContact CE2-CG 4.09Å; F291-Q295 HydrophobicContact CZ-CG 3.96Å; F291-Q295 WeakPolarHBondContact O-CG 3.24Å; F291-Q295 PolarHBondContact O-N 3.03Å
292	F	97.1	Very high	96.1	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-69.3	-38.5	-175.4	-72.7	-64.3	0	0	0	113	I175 I265 I270 I282 M288 T289 K294 Q295 L296	I175-F292 HydrophobicContact CD1-CB 4.24Å; I175-F292 HydrophobicContact CD1-CD1 4.28Å; I175-F292 HydrophobicContact CD1-CG 4.11Å; I175-F292 HydrophobicContact CG2-CD2 3.71Å; I175-F292 HydrophobicContact CG2-CE2 3.87Å; I175-F292 HydrophobicContact CG2-CG 4.3Å; I265-F292 HydrophobicContact CB-CE2 4.37Å; I265-F292 HydrophobicContact CB-CZ 3.8Å; I265-F292 HydrophobicContact CG2-CE1 4.17Å; I265-F292 HydrophobicContact CG2-CE2 4.44Å; I265-F292 HydrophobicContact CG2-CZ 3.65Å; I270-F292 HydrophobicContact CG1-CD1 3.84Å; I270-F292 HydrophobicContact CG1-CE1 3.58Å; I270-F292 HydrophobicContact CG1-CZ 4.46Å; I282-F292 HydrophobicContact CD1-CB 3.92Å; M288-F292 HydrophobicContact CG-CD2 3.87Å; M288-F292 HydrophobicContact CG-CE2 3.77Å; M288-F292 VanDerWaalsContact O-CD2 3.3Å; M288-F292 WeakPolarHBondContact O-CD2 3.41Å; M288-F292 PolarHBondContact O-N 3.34Å; T289-F292 PolarHBondContact O-N 3.48Å; F292-K294 VanDerWaalsContact C-N 3.33Å; F292-K294 PolarHBondContact O-N 3.27Å; F292-Q295 PolarHBondContact O-N 2.8Å; F292-L296 VanDerWaalsContact O-CG 3.3Å; F292-L296 WeakPolarHBondContact O-CG 3.47Å; F292-L296 PolarHBondContact O-N 2.8Å
293	S	95.4	Very high	95.9	Very high	14 Å²	14	57.6 Å²	57.6	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-47.7	173.9	-171.7	0	0	0	0	110.9	T289 Q295 L296 E297	T289-S293 WeakPolarHBondContact O-CB 3.44Å; T289-S293 PolarHBondContact O-N 3.04Å; S293-Q295 PolarHBondContact O-N 2.94Å; S293-L296 PolarHBondContact O-N 3.11Å; S293-E297 WeakPolarHBondContact O-CG 3.22Å; S293-E297 PolarHBondContact O-N 2.95Å
294	K	96	Very high	95.8	Very high	129 Å²	129	63.8 Å²	63.8	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-65.6	-37.6	178.7	-174.9	174.4	-178.2	178.3	0	112.6	D290 F291 F292 E297 N298	D290-K294 VanDerWaalsContact O-CB 3.25Å; D290-K294 WeakPolarHBondContact O-CB 3.43Å; D290-K294 PolarHBondContact O-N 3.28Å; D290-K294 VanDerWaalsContact O-N 3.16Å; F291-K294 PolarHBondContact O-N 2.86Å; F292-K294 VanDerWaalsContact C-N 3.33Å; F292-K294 PolarHBondContact O-N 3.27Å; K294-E297 PolarHBondContact O-N 3.4Å; K294-N298 WeakPolarHBondContact O-CB 3.4Å; K294-N298 PolarHBondContact O-N 3.41Å; K294-N298 PolarHBondContact O-ND2 3.1Å; K294-N298 PolarHBondContact O-OD1 2.74Å
295	Q	95.8	Very high	95.9	Very high	37 Å²	37	64.6 Å²	64.6	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-39.6	177.7	-67.9	-63.3	10.4	0	0	112.5	E267 F291 F292 S293 N298 H299	E267-Q295 HydrophobicContact CG-CB 4.26Å; E267-Q295 HydrophobicContact CG-CG 4.1Å; E267-Q295 PolarHBondContact OE2-NE2 2.95Å; E267-Q295 VanDerWaalsContact OE2-NE2 3.1Å; F291-Q295 HydrophobicContact CD2-CG 4.43Å; F291-Q295 HydrophobicContact CE1-CG 4.18Å; F291-Q295 HydrophobicContact CE2-CG 4.09Å; F291-Q295 HydrophobicContact CZ-CG 3.96Å; F291-Q295 WeakPolarHBondContact O-CG 3.24Å; F291-Q295 PolarHBondContact O-N 3.03Å; F292-Q295 PolarHBondContact O-N 2.8Å; S293-Q295 PolarHBondContact O-N 2.94Å; Q295-N298 WeakPolarHBondContact O-CB 3.31Å; Q295-N298 PolarHBondContact O-N 3.34Å; Q295-N298 PolarHBondContact OE1-ND2 2.93Å; Q295-N298 VanDerWaalsContact OE1-ND2 3.11Å; Q295-H299 PolarHBondContact O-CD2 3.26Å; Q295-H299 PolarHBondContact O-N 2.77Å
296	L	97.8	Very high	96	Very high	2 Å²	2	62 Å²	62	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175.1	-68.4	166.3	0	0	0	111.3	I270 I274 F280 I282 F292 S293 N298 H299 H300 V301 I306	I270-L296 HydrophobicContact CG2-CD2 3.91Å; I274-L296 HydrophobicContact CD1-CD2 4.09Å; I274-L296 HydrophobicContact CG1-CD2 4.16Å; F280-L296 HydrophobicContact CB-CD1 3.69Å; F280-L296 HydrophobicContact CD1-CD1 3.73Å; F280-L296 HydrophobicContact CD1-CD2 3.7Å; F280-L296 HydrophobicContact CD1-CG 4.39Å; F280-L296 HydrophobicContact CD2-CD1 4.17Å; F280-L296 HydrophobicContact CD2-CD2 3.99Å; F280-L296 HydrophobicContact CE1-CD1 4.45Å; F280-L296 HydrophobicContact CE1-CD2 3.56Å; F280-L296 HydrophobicContact CE2-CD2 3.84Å; F280-L296 HydrophobicContact CG-CD1 3.58Å; F280-L296 HydrophobicContact CG-CD2 3.93Å; F280-L296 HydrophobicContact CG-CG 4.42Å; F280-L296 HydrophobicContact CZ-CD2 3.64Å; I282-L296 HydrophobicContact CD1-CD1 3.8Å; F292-L296 VanDerWaalsContact O-CG 3.3Å; F292-L296 WeakPolarHBondContact O-CG 3.47Å; F292-L296 PolarHBondContact O-N 2.8Å; S293-L296 PolarHBondContact O-N 3.11Å; L296-N298 PolarHBondContact O-N 2.87Å; L296-H299 CarbonylContact O-C 3.55Å; L296-H299 PolarHBondContact O-N 3.24Å; L296-H300 PolarHBondContact O-N 2.92Å; L296-V301 HydrophobicContact CB-CB 4.08Å; L296-V301 HydrophobicContact CB-CG2 4.2Å; L296-V301 HydrophobicContact CD2-CG2 3.97Å; L296-V301 WeakPolarHBondContact O-CB 3.48Å; L296-V301 WeakPolarHBondContact O-CG2 3.23Å; L296-V301 PolarHBondContact O-N 2.91Å; L296-I306 HydrophobicContact CB-CD1 3.59Å; L296-I306 HydrophobicContact CB-CG1 4.02Å; L296-I306 HydrophobicContact CD1-CG1 4.32Å; L296-I306 HydrophobicContact CD1-CG2 4.12Å
297	E	96.6	Very high	96.2	Very high	75 Å²	75	61.3 Å²	61.3	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-43.4	172	-72.1	-176.5	146.8	0	0	112.3	S293 K294 H299 H300 K303 I306	S293-E297 WeakPolarHBondContact O-CG 3.22Å; S293-E297 PolarHBondContact O-N 2.95Å; K294-E297 PolarHBondContact O-N 3.4Å; E297-H299 PolarHBondContact O-N 3.43Å; E297-H300 PolarHBondContact O-N 3.38Å; E297-K303 WeakPolarHBondContact OE1-CE 3.09Å; E297-K303 IonicContact OE1-NZ 2.63Å; E297-K303 PolarHBondContact OE1-NZ 2.74Å; E297-I306 HydrophobicContact CG-CD1 3.88Å
298	N	96.2	Very high	96.2	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-30.9	175.7	-66.9	-24.1	0	0	0	112.7	K294 Q295 L296 H300	K294-N298 WeakPolarHBondContact O-CB 3.4Å; K294-N298 PolarHBondContact O-N 3.41Å; K294-N298 PolarHBondContact O-ND2 3.1Å; K294-N298 PolarHBondContact O-OD1 2.74Å; Q295-N298 WeakPolarHBondContact O-CB 3.31Å; Q295-N298 PolarHBondContact O-N 3.34Å; Q295-N298 PolarHBondContact OE1-ND2 2.93Å; Q295-N298 VanDerWaalsContact OE1-ND2 3.11Å; L296-N298 PolarHBondContact O-N 2.87Å; N298-H300 PolarHBondContact O-N 3.41Å; N298-H300 PolarHBondContact O-ND1 2.83Å
299	H	96.1	Very high	95.9	Very high	58 Å²	58	60.1 Å²	60.1	27%	0.269	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	15	174.8	-68.2	-50.7	0	0	0	113.1	E267 R271 I274 Q295 L296 E297 V301	E267-H299 IonicContact OE1-CD2 3.38Å; E267-H299 IonicContact OE1-CE1 2.63Å; E267-H299 IonicContact OE1-NE2 2.78Å; E267-H299 PolarHBondContact OE1-NE2 2.9Å; R271-H299 PolarHBondContact NH1-CE1 3.28Å; R271-H299 PolarHBondContact NH1-NE2 2.95Å; I274-H299 HydrophobicContact CD1-CB 3.6Å; Q295-H299 PolarHBondContact O-CD2 3.26Å; Q295-H299 PolarHBondContact O-N 2.77Å; L296-H299 CarbonylContact O-C 3.55Å; L296-H299 PolarHBondContact O-N 3.24Å; E297-H299 PolarHBondContact O-N 3.43Å; H299-V301 PolarHBondContact O-N 3.31Å
300	H	96.1	Very high	95.4	Very high	176 Å²	176	63.5 Å²	63.5	82%	0.815	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	26.3	176.5	-50.8	78.4	0	0	0	114.2	L296 E297 N298 S302	L296-H300 PolarHBondContact O-N 2.92Å; E297-H300 PolarHBondContact O-N 3.38Å; N298-H300 PolarHBondContact O-N 3.41Å; N298-H300 PolarHBondContact O-ND1 2.83Å; H300-S302 PolarHBondContact O-N 3.04Å
301	V	97.4	Very high	94.5	Very high	12 Å²	12	62.6 Å²	62.6	7%	0.073	30%	0.296	C	S	.	.			trans	-68.3	129.3	167.4	-178.2	0	0	0	0	108.2	I274 F280 L296 H299 H305 I306	I274-V301 HydrophobicContact CD1-CG2 4.11Å; I274-V301 HydrophobicContact CG1-CG2 4.16Å; I274-V301 HydrophobicContact CG2-CG2 3.68Å; F280-V301 HydrophobicContact CD2-CG1 3.98Å; F280-V301 HydrophobicContact CE2-CG1 4Å; F280-V301 HydrophobicContact CE2-CG2 4.32Å; L296-V301 HydrophobicContact CB-CB 4.08Å; L296-V301 HydrophobicContact CB-CG2 4.2Å; L296-V301 HydrophobicContact CD2-CG2 3.97Å; L296-V301 WeakPolarHBondContact O-CB 3.48Å; L296-V301 WeakPolarHBondContact O-CG2 3.23Å; L296-V301 PolarHBondContact O-N 2.91Å; H299-V301 PolarHBondContact O-N 3.31Å; V301-H305 HydrophobicContact CG1-CB 4.05Å; V301-I306 HydrophobicContact CB-CD1 4.13Å; V301-I306 HydrophobicContact CB-CG1 4.29Å; V301-I306 HydrophobicContact CG1-CD1 4.14Å; V301-I306 HydrophobicContact CG1-CG1 3.75Å
302	S	96.6	Very high	92.6	Very high	51 Å²	51	64.7 Å²	64.7	36%	0.357	30%	0.301	S	S	.	.			trans	-67.3	146.9	-176.8	-149.8	0	0	0	0	111.5	H300 E304 H305	H300-S302 PolarHBondContact O-N 3.04Å; S302-E304 VanDerWaalsContact C-N 3.31Å; S302-E304 WeakPolarHBondContact CB-OE1 3.29Å; S302-E304 PolarHBondContact O-N 3Å; S302-E304 PolarHBondContact OG-OE1 2.75Å; S302-E304 PolarHBondContact OG-OE2 2.91Å; S302-H305 WeakPolarHBondContact O-CA 3.48Å; S302-H305 WeakPolarHBondContact O-CB 3.47Å; S302-H305 PolarHBondContact O-N 3.05Å
303	K	95	Very high	92.4	Very high	145 Å²	145	67.6 Å²	67.6	63%	0.63	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.4	-33.5	-168.8	-65.9	-167.2	-177.9	-132.5	0	112.9	E297 H305 I306	E297-K303 WeakPolarHBondContact OE1-CE 3.09Å; E297-K303 IonicContact OE1-NZ 2.63Å; E297-K303 PolarHBondContact OE1-NZ 2.74Å; K303-H305 PolarHBondContact O-N 2.77Å; K303-I306 PolarHBondContact O-N 2.8Å
304	E	95.3	Very high	92.3	Very high	129 Å²	129	70.4 Å²	70.4	60%	0.603	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-64.9	-14.6	172.7	65.9	-80	-177.8	0	0	113.8	S302	S302-E304 VanDerWaalsContact C-N 3.31Å; S302-E304 WeakPolarHBondContact CB-OE1 3.29Å; S302-E304 PolarHBondContact O-N 3Å; S302-E304 PolarHBondContact OG-OE1 2.75Å; S302-E304 PolarHBondContact OG-OE2 2.91Å
305	H	97.4	Very high	92.1	Very high	26 Å²	26	67.1 Å²	67.1	12%	0.12	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-97.5	1.6	171.8	-61.8	174.5	0	0	0	113.2	R170 K276 L279 F280 V301 S302 K303	R170-H305 PolarHBondContact NH1-CE1 2.94Å; R170-H305 PolarHBondContact NH1-NE2 2.82Å; K276-H305 PolarHBondContact O-CE1 2.9Å; L279-H305 HydrophobicContact CD2-CB 3.98Å; L279-H305 VanDerWaalsContact CD2-CD2 3.46Å; L279-H305 WeakPolarHBondContact CD2-CD2 3.29Å; F280-H305 PolarHBondContact N-O 2.74Å; V301-H305 HydrophobicContact CG1-CB 4.05Å; S302-H305 WeakPolarHBondContact O-CA 3.48Å; S302-H305 WeakPolarHBondContact O-CB 3.47Å; S302-H305 PolarHBondContact O-N 3.05Å; K303-H305 PolarHBondContact O-N 2.77Å
306	I	97.7	Very high	91.8	Very high	13 Å²	13	68.9 Å²	68.9	7%	0.067	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	84.2	178.8	-50.8	168.9	0	0	0	109	I282 L296 E297 V301 K303 F308	I282-I306 HydrophobicContact CD1-CG2 4.14Å; L296-I306 HydrophobicContact CB-CD1 3.59Å; L296-I306 HydrophobicContact CB-CG1 4.02Å; L296-I306 HydrophobicContact CD1-CG1 4.32Å; L296-I306 HydrophobicContact CD1-CG2 4.12Å; E297-I306 HydrophobicContact CG-CD1 3.88Å; V301-I306 HydrophobicContact CB-CD1 4.13Å; V301-I306 HydrophobicContact CB-CG1 4.29Å; V301-I306 HydrophobicContact CG1-CD1 4.14Å; V301-I306 HydrophobicContact CG1-CG1 3.75Å; K303-I306 PolarHBondContact O-N 2.8Å; I306-F308 HydrophobicContact CG2-CD1 4.42Å
307	C	97.6	Very high	91.5	Very high	34 Å²	34	73.1 Å²	73.1	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.1	174.4	-56.9	0	0	0	0	109.9	F159 F280 Y281 I282	F159-C307 HydrophobicContact CD2-CB 4.08Å; F159-C307 HydrophobicContact CE2-CB 3.94Å; F280-C307 PolarHBondContact O-N 2.77Å; F280-C307 VanDerWaalsContact O-O 3.12Å; Y281-C307 WeakPolarHBondContact CA-O 3.32Å; Y281-C307 HydrophobicContact CD1-CB 3.58Å; Y281-C307 HydrophobicContact CE1-CB 3.66Å; Y281-C307 HydrophobicContact CG-CB 4.15Å; I282-C307 PolarHBondContact N-O 2.82Å
308	F	94.4	Very high	91.1	Very high	90 Å²	90	72.9 Å²	72.9	40%	0.395	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.7	171.8	62.5	-102.1	0	0	0	114.3	F159 I282 T289 I306 K310	F159-F308 VanDerWaalsContact CD2-C 3.49Å; I282-F308 HydrophobicContact CB-CB 4.04Å; I282-F308 WeakPolarHBondContact O-CA 3.47Å; I282-F308 WeakPolarHBondContact O-CB 3.37Å; T289-F308 HydrophobicContact CG2-CB 3.55Å; T289-F308 HydrophobicContact CG2-CD2 3.93Å; T289-F308 HydrophobicContact CG2-CG 3.8Å; I306-F308 HydrophobicContact CG2-CD1 4.42Å; F308-K310 HydrophobicContact CD2-CD 4.33Å; F308-K310 HydrophobicContact CD2-CG 4.22Å; F308-K310 HydrophobicContact CE2-CD 4.25Å
309	E	89.8	Confident	90.8	Very high	18 Å²	18	72.2 Å²	72.2	8%	0.084	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.4	171.6	-174.5	170.2	-104.3	0	0	110.1	S112 F159 I282 W311	S112-E309 PolarHBondContact OG-OE2 2.87Å; S112-E309 VanDerWaalsContact OG-OE2 3.13Å; F159-E309 HydrophobicContact CB-CB 4.07Å; F159-E309 HydrophobicContact CD1-CB 3.94Å; F159-E309 HydrophobicContact CD2-CB 4.01Å; F159-E309 HydrophobicContact CE1-CB 4.35Å; F159-E309 HydrophobicContact CE2-CB 4.42Å; F159-E309 HydrophobicContact CG-CB 3.74Å; I282-E309 PolarHBondContact O-N 2.82Å; E309-W311 VanDerWaalsContact CD-NE1 3.35Å; E309-W311 PolarHBondContact OE2-NE1 3.26Å
310	K	84.8	Confident	90.4	Very high	71 Å²	71	73.3 Å²	73.3	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.9	-176.2	-68.2	177.7	177.8	179.2	0	110.6	T289 D290 F308 W312	T289-K310 HydrophobicContact CG2-CG 4.06Å; D290-K310 VanDerWaalsContact OD1-CE 3.25Å; D290-K310 WeakPolarHBondContact OD1-CE 3.37Å; D290-K310 IonicContact OD1-NZ 3.02Å; D290-K310 PolarHBondContact OD1-NZ 3.2Å; F308-K310 HydrophobicContact CD2-CD 4.33Å; F308-K310 HydrophobicContact CD2-CG 4.22Å; F308-K310 HydrophobicContact CE2-CD 4.25Å; K310-W312 WeakPolarHBondContact O-CZ3 3.18Å
311	W	74.9	Confident	89.9	Confident	59 Å²	59	64.8 Å²	64.8	22%	0.223	30%	0.298	C	S	.	.			trans	-109	150.6	173	-62.9	94.8	0	0	0	110.7	W97 G110 S112 E309	W97-W311 HydrophobicContact CB-CH2 3.92Å; W97-W311 HydrophobicContact CB-CZ2 3.84Å; W97-W311 AromaticContact CD1-CZ2 3.87Å; W97-W311 HydrophobicContact CD2-CH2 4.1Å; W97-W311 AromaticContact CG-CH2 3.74Å; W97-W311 HydrophobicContact CG-CH2 3.74Å; W97-W311 AromaticContact CG-CZ2 3.84Å; W97-W311 HydrophobicContact CG-CZ2 3.84Å; G110-W311 WeakPolarHBondContact O-CZ3 3.5Å; S112-W311 VanDerWaalsContact OG-CZ2 3.24Å; S112-W311 WeakPolarHBondContact OG-CZ2 3.26Å; S112-W311 PolarHBondContact OG-NE1 2.89Å; E309-W311 VanDerWaalsContact CD-NE1 3.35Å; E309-W311 PolarHBondContact OE2-NE1 3.26Å
312	W	57.7	Low	89.2	Confident	129 Å²	129	69.5 Å²	69.5	49%	0.489	32%	0.319	S	S	.	.			trans	-144.1	0	-153.1	44.8	43.7	0	0	0	116.5	K47 R53 T54 K310	K47-W312 PolarHBondContact NZ-OXT 3.45Å; R53-W312 HydrophobicContact CB-CH2 3.7Å; R53-W312 HydrophobicContact CB-CZ2 3.42Å; R53-W312 VanDerWaalsContact CB-CZ2 3.42Å; R53-W312 HydrophobicContact CB-CZ3 4.38Å; R53-W312 VanDerWaalsContact CD-NE1 3.27Å; R53-W312 HydrophobicContact CG-CZ2 4.29Å; T54-W312 HydrophobicContact CG2-CH2 3.8Å; T54-W312 HydrophobicContact CG2-CZ2 3.86Å; K310-W312 WeakPolarHBondContact O-CZ3 3.18Å

Retrieved 312 of 312 residues in 2276.9 ms (Link to these results)

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