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E3 ubiquitin-protein ligase PHF7

E3 ubiquitin-protein ligase which ubiquitinates histone H3 at 'Lys-14'. Required for male fertility, via inhibition of SPOP-mediated BRDT degradation when in the presence of acetylated histone H4 in early condensing spermatids. Stabilization of BRDT allows it to facilitate histone removal in early condensing spermatids and promote the progression of histone-to-protamine exchange. Promotes the expression of steroidogenesis proteins in the testes, and as a result plays a role in maintaining testosterone levels and repressing osteoclastogenesis. Promotes transcription of cardiac enhancer genes by facilitating binding of cardiac transcription factors such as MEF2C and GATA4 to target gene promoters. Ubiquitinates histone H4. Ubiquitinates histone H2A and H3 as part of the nucleosome core particle.

AlphaFold DB (Q9BWX1), UniProt , Accession A0A024R336, Species HUMAN (Homo sapiens, Human), Gene PHF7, Length 381 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	46	Very low	41.7	Very low	249 Å²	249	180.5 Å²	180.5	100%	1.227	88%	0.884	S	S	*	*				0	97	0	-69.2	169.6	168.6	0	0	107.2
2	K	41.2	Very low	40.9	Very low	207 Å²	207	185.1 Å²	185.1	90%	0.9	88%	0.884	S	S	*	*			trans	-129.1	138	-164.6	-75.4	-179.3	175.8	178	0	109.7
3	T	35.5	Very low	40.8	Very low	138 Å²	138	183.7 Å²	183.7	85%	0.847	88%	0.883	S	S	*	*			trans	-68.5	133.4	178.6	35.5	0	0	0	0	113.5
4	V	44.7	Very low	40.2	Very low	120 Å²	120	187.6 Å²	187.6	73%	0.727	88%	0.884	S	S	*	*			trans	-158.6	121.1	157.4	-176.3	0	0	0	0	112.1
5	K	42.5	Very low	40.3	Very low	192 Å²	192	188.6 Å²	188.6	84%	0.835	88%	0.884	S	S	*	*			trans	61.1	141.3	148.3	-63.8	169.8	-172.7	177.8	0	118.5
6	E	46.2	Very low	40.3	Very low	191 Å²	191	184.3 Å²	184.3	89%	0.893	88%	0.881	S	S	*	*				-150.8	145.9	60.2	-75.4	178.2	143.8	0	0	115
7	K	40.2	Very low	40.1	Very low	208 Å²	208	179 Å²	179	90%	0.904	88%	0.875	S	S	*	*			trans	-82.9	135.3	169.7	-77.2	175.2	172.8	178.8	0	109.6
8	K	47.8	Very low	40.2	Very low	215 Å²	215	180.6 Å²	180.6	94%	0.935	88%	0.877	S	S	*	*			trans	-123.9	122.8	153.9	-95	-178.8	177.5	174.5	0	110.5
9	E	36.1	Very low	40.1	Very low	168 Å²	168	178.2 Å²	178.2	79%	0.785	87%	0.874	S	S	*	*			trans	-83	134.8	-178.6	-178.2	177.2	170	0	0	109.7
10	C	38.1	Very low	40	Very low	132 Å²	132	181.2 Å²	181.2	89%	0.892	88%	0.875	S	S	*	*			trans	-134.3	124.2	163.5	-143.6	0	0	0	0	109.5
11	Q	40.3	Very low	39.9	Very low	166 Å²	166	183.8 Å²	183.8	78%	0.776	88%	0.876	S	S	*	*			trans	-74.3	138.3	-159.6	-70.5	165.4	-11.2	0	0	112.8	L13	Q11-L13 PolarHBondContact O-N 3.44Å
12	R	32.9	Very low	39.6	Very low	235 Å²	235	178.2 Å²	178.2	89%	0.887	86%	0.856	S	S	*	*			trans	-74.1	112.4	171.4	-79.6	174.9	169.1	173.1	-3.7	110.5	R14	R12-R14 PolarHBondContact O-N 3.08Å
13	L	39.1	Very low	39.5	Very low	167 Å²	167	174.2 Å²	174.2	87%	0.874	85%	0.849	S	S	*	*			trans	-85.5	100.1	162	-73.5	169.2	0	0	0	109.9	Q11 K15	Q11-L13 PolarHBondContact O-N 3.44Å; L13-K15 PolarHBondContact O-N 3.07Å
14	R	32.9	Very low	39.6	Very low	238 Å²	238	176.5 Å²	176.5	90%	0.898	85%	0.85	S	S	*	*			trans	-69.6	109.4	166	-86.3	178.2	166.3	171	-4	109	R12	R12-R14 PolarHBondContact O-N 3.08Å
15	K	40.5	Very low	39.5	Very low	203 Å²	203	182 Å²	182	88%	0.883	86%	0.857	S	S	*	*			trans	-82	118	165.8	-72.3	-175.3	176.4	179.5	0	109.3	L13 A17	L13-K15 PolarHBondContact O-N 3.07Å; K15-A17 PolarHBondContact O-N 2.98Å
16	S	40.5	Very low	39.2	Very low	120 Å²	120	182 Å²	182	84%	0.839	86%	0.857	S	S	*	*			trans	-53.8	128.9	178.2	-77.7	0	0	0	0	112.9	K18	S16-K18 PolarHBondContact O-N 3.06Å
17	A	37.8	Very low	39.1	Very low	94 Å²	94	179 Å²	179	78%	0.777	85%	0.854	S	S	*	*			trans	-67.3	111.2	167.5	0	0	0	0	0	109.5	K15 T19	K15-A17 PolarHBondContact O-N 2.98Å; A17-T19 PolarHBondContact O-N 3.08Å; A17-T19 VanDerWaalsContact O-N 3.16Å
18	K	41.6	Very low	39.7	Very low	207 Å²	207	172.1 Å²	172.1	90%	0.9	83%	0.833	S	S	*	*			trans	-77.2	96.7	172.7	-156.8	171.4	-173.3	174.4	0	108	S16 R20	S16-K18 PolarHBondContact O-N 3.06Å; K18-R20 PolarHBondContact O-N 3.06Å
19	T	37.2	Very low	40.9	Very low	136 Å²	136	168.3 Å²	168.3	83%	0.834	83%	0.833	S	S	*	*			trans	-59.6	103	172.5	-3.4	0	0	0	0	109	A17 R21	A17-T19 PolarHBondContact O-N 3.08Å; A17-T19 VanDerWaalsContact O-N 3.16Å; T19-R21 PolarHBondContact O-N 3.16Å; T19-R21 VanDerWaalsContact O-N 3.16Å
20	R	38.9	Very low	43.1	Very low	238 Å²	238	162 Å²	162	90%	0.898	81%	0.813	S	S	*	*			trans	-68	108.1	167.2	-110.3	-178.7	165.3	-172.4	-3.7	107.3	K18 V22	K18-R20 PolarHBondContact O-N 3.06Å; R20-V22 PolarHBondContact O-N 3.01Å
21	R	37.2	Very low	45.7	Very low	236 Å²	236	158.3 Å²	158.3	89%	0.891	79%	0.788	S	S	*	*			trans	-53.3	112.9	165.5	-75.8	-179.2	-179.2	175.3	-0.3	107.7	T19 T23	T19-R21 PolarHBondContact O-N 3.16Å; T19-R21 VanDerWaalsContact O-N 3.16Å; R21-T23 PolarHBondContact O-N 3.16Å; R21-T23 VanDerWaalsContact O-N 3.08Å
22	V	39.7	Very low	48.3	Very low	131 Å²	131	153 Å²	153	79%	0.794	77%	0.766	S	S	*	*			trans	-68.1	101.6	167.6	173.3	0	0	0	0	105.9	R20 Q24	R20-V22 PolarHBondContact O-N 3.01Å; V22-Q24 PolarHBondContact O-N 3.24Å
23	T	39.7	Very low	51.2	Low	123 Å²	123	141.8 Å²	141.8	76%	0.755	72%	0.724	S	S	*	*			trans	-60.4	109.2	167.4	-25.4	0	0	0	0	106.7	R21 R25	R21-T23 PolarHBondContact O-N 3.16Å; R21-T23 VanDerWaalsContact O-N 3.08Å; T23-R25 PolarHBondContact O-N 3.48Å
24	Q	38.3	Very low	53.8	Low	186 Å²	186	138.3 Å²	138.3	87%	0.869	70%	0.699	S	S	*	*			trans	-61.7	106.4	167.8	-68.5	-159.6	4.6	0	0	107.2	V22	V22-Q24 PolarHBondContact O-N 3.24Å
25	R	41.2	Very low	56.6	Low	235 Å²	235	127 Å²	127	89%	0.887	66%	0.657	S	S	*	*			trans	-67.7	130.3	170.9	-77.3	-179.2	162.2	-174.7	-6.1	107.8	T23	T23-R25 PolarHBondContact O-N 3.48Å
26	K	36.7	Very low	59	Low	192 Å²	192	117.7 Å²	117.7	84%	0.835	62%	0.617	S	S	*	*			trans	-43.9	140	165.5	-98	178.1	171.5	179.2	0	109.1	S28	K26-S28 PolarHBondContact O-N 3.27Å; K26-S28 VanDerWaalsContact O-N 3.07Å
27	P	43.7	Very low	61.3	Low	128 Å²	128	117.3 Å²	117.3	83%	0.831	61%	0.605	S	S	*	*			trans	-57.2	118.4	170.4	-12.4	25	0	0	0	107.5	S29	P27-S29 PolarHBondContact O-N 2.66Å
28	S	53.3	Low	63.9	Low	65 Å²	65	117.2 Å²	117.2	46%	0.455	59%	0.585	S	S	.	*			trans	-65.6	129.5	169.2	41.4	0	0	0	0	108.2	K26 G30 E39	K26-S28 PolarHBondContact O-N 3.27Å; K26-S28 VanDerWaalsContact O-N 3.07Å; S28-G30 PolarHBondContact O-N 3.27Å; S28-G30 VanDerWaalsContact O-N 3.08Å; S28-E39 WeakPolarHBondContact CB-OE1 3.31Å; S28-E39 PolarHBondContact OG-OE1 3.48Å
29	S	73.8	Confident	66.4	Low	135 Å²	135	111.8 Å²	111.8	94%	0.944	56%	0.563	S	S	*	*			trans	-77.3	17.5	-177.3	57.5	0	0	0	0	113.4	P27	P27-S29 PolarHBondContact O-N 2.66Å
30	G	82.6	Confident	69.1	Low	35 Å²	35	107.7 Å²	107.7	36%	0.361	54%	0.538	S	S	.	.	S	Bend	trans	-91.2	162.8	-176.5	0	0	0	0	0	112.9	S28	S28-G30 PolarHBondContact O-N 3.27Å; S28-G30 VanDerWaalsContact O-N 3.08Å
31	P	92	Very high	71.6	Confident	55 Å²	55	99.1 Å²	99.1	36%	0.357	52%	0.524	S	S	.	.			trans	-62	139.3	173.2	28.5	-34.9	0	0	0	110.2	F49	P31-F49 HydrophobicContact CB-CE1 3.97Å; P31-F49 HydrophobicContact CB-CZ 4.08Å; P31-F49 HydrophobicContact CG-CE1 3.85Å; P31-F49 HydrophobicContact CG-CZ 4.29Å
32	V	93.8	Very high	74.3	Confident	54 Å²	54	90.5 Å²	90.5	33%	0.327	50%	0.495	S	S	.	.			trans	-119.5	148.7	175.7	-64.7	0	0	0	0	110	W34 R38 E39 S56	V32-W34 PolarHBondContact O-N 3.42Å; V32-R38 CarbonylContact C-O 3.57Å; V32-R38 WeakPolarHBondContact CA-O 3.5Å; V32-E39 HydrophobicContact CG1-CG 4.37Å; V32-S56 PolarHBondContact O-OG 3.1Å
33	C	94.5	Very high	76.8	Confident	0 Å²	0	88 Å²	88	0%	0	48%	0.481	C	S	.	.			trans	-62.3	125.9	175.9	171.5	0	0	0	0	110.6	L35 C36 L37 R38 F49 S56 H58	C33-L35 PolarHBondContact O-N 3.04Å; C33-L35 PolarHBondContact SG-N 3.44Å; C33-L35 VanDerWaalsContact SG-N 3.42Å; C33-C36 PolarHBondContact O-N 2.52Å; C33-L37 WeakPolarHBondContact O-CA 3.46Å; C33-L37 PolarHBondContact O-N 3.1Å; C33-R38 PolarHBondContact N-O 3.08Å; C33-F49 HydrophobicContact CB-CE2 4.17Å; C33-S56 CarbonylContact C-O 3.45Å; C33-S56 VanDerWaalsContact CA-O 3.26Å; C33-S56 WeakPolarHBondContact CA-O 3.4Å; C33-H58 VanDerWaalsContact CB-CE1 3.41Å; C33-H58 WeakPolarHBondContact CB-CE1 3.25Å; C33-H58 WeakPolarHBondContact CB-ND1 3.49Å; C33-H58 PolarHBondContact SG-N 3.12Å; C33-H58 VanDerWaalsContact SG-N 3.42Å; C33-H58 PolarHBondContact SG-ND1 3.33Å
34	W	92.9	Very high	79.1	Confident	93 Å²	93	86.1 Å²	86.1	35%	0.352	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24	179.8	-82.6	45.5	0	0	0	113.8	V32 N54 I55 S56 V57 K87 A90	V32-W34 PolarHBondContact O-N 3.42Å; W34-N54 VanDerWaalsContact CZ2-O 3.25Å; W34-N54 WeakPolarHBondContact CZ2-O 3.13Å; W34-N54 PolarHBondContact NE1-O 3.34Å; W34-I55 HydrophobicContact CD2-CG2 4.46Å; W34-I55 HydrophobicContact CG-CG2 4.45Å; W34-I55 HydrophobicContact CH2-CG1 4.46Å; W34-I55 HydrophobicContact CZ2-CG1 4.22Å; W34-S56 VanDerWaalsContact CD1-O 3.32Å; W34-S56 PolarHBondContact N-O 3.47Å; W34-V57 HydrophobicContact CB-CG1 4.08Å; W34-K87 HydrophobicContact CE3-CG 4.45Å; W34-K87 HydrophobicContact CH2-CG 4.34Å; W34-K87 HydrophobicContact CZ3-CG 3.71Å; W34-A90 HydrophobicContact CE3-CB 4.34Å
35	L	92.2	Very high	81.6	Confident	2 Å²	2	82.2 Å²	82.2	1%	0.01	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-35.3	-176.9	-64	174.9	0	0	0	113.2	C33 V57 C61 E89 A90 A107	C33-L35 PolarHBondContact O-N 3.04Å; C33-L35 PolarHBondContact SG-N 3.44Å; C33-L35 VanDerWaalsContact SG-N 3.42Å; L35-V57 HydrophobicContact CD1-CG1 4.48Å; L35-V57 HydrophobicContact CG-CG1 4.38Å; L35-C61 HydrophobicContact CB-CB 4.04Å; L35-C61 HydrophobicContact CD1-CB 3.97Å; L35-C61 VanDerWaalsContact CD1-O 3.29Å; L35-C61 WeakPolarHBondContact CD1-O 3.47Å; L35-E89 HydrophobicContact CD2-CG 3.81Å; L35-A90 HydrophobicContact CD2-CB 4.32Å; L35-A107 HydrophobicContact CB-CB 4.42Å; L35-A107 HydrophobicContact CD2-CB 4.42Å
36	C	91.1	Very high	84.2	Confident	7 Å²	7	71.6 Å²	71.6	5%	0.047	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-5.7	-177.6	76.2	0	0	0	0	115	C33 R38 H58 H120	C33-C36 PolarHBondContact O-N 2.52Å; C36-R38 PolarHBondContact O-N 3.43Å; C36-H58 PolarHBondContact SG-ND1 3.42Å; C36-H120 HydrophobicContact CB-CB 4.34Å
37	L	90	Very high	86.9	Confident	112 Å²	112	62.6 Å²	62.6	59%	0.586	37%	0.367	S	S	*	.			trans	56.8	28.7	179.6	-49.1	177.6	0	0	0	113.5	C33	C33-L37 WeakPolarHBondContact O-CA 3.46Å; C33-L37 PolarHBondContact O-N 3.1Å
38	R	90.9	Very high	89.3	Confident	92 Å²	92	62.4 Å²	62.4	35%	0.347	36%	0.355	S	S	.	.			trans	-111.5	153.5	173	-59.6	-155.9	-173.9	-174.6	2.6	110.4	V32 C33 C36 P122 C123 E126	V32-R38 CarbonylContact C-O 3.57Å; V32-R38 WeakPolarHBondContact CA-O 3.5Å; C33-R38 PolarHBondContact N-O 3.08Å; C36-R38 PolarHBondContact O-N 3.43Å; R38-P122 HydrophobicContact CG-CG 4.4Å; R38-C123 PolarHBondContact NH2-SG 3.02Å; R38-E126 IonicContact CZ-OE1 3.63Å; R38-E126 IonicContact NH1-OE1 2.91Å; R38-E126 PolarHBondContact NH1-OE1 3.46Å; R38-E126 IonicContact NH2-OE1 3.35Å; R38-E126 PolarHBondContact NH2-OE1 3.15Å; R38-E126 IonicContact NH2-OE2 3.67Å
39	E	94.2	Very high	91.4	Very high	93 Å²	93	61.3 Å²	61.3	44%	0.435	34%	0.342	S	S	.	.			trans	-57.6	167.6	168.4	-67.6	179.2	150.8	0	0	112.3	S28 V32 G41 H58	S28-E39 WeakPolarHBondContact CB-OE1 3.31Å; S28-E39 PolarHBondContact OG-OE1 3.48Å; V32-E39 HydrophobicContact CG1-CG 4.37Å; E39-G41 PolarHBondContact O-N 3.02Å; E39-H58 PolarHBondContact O-CE1 3.03Å; E39-H58 PolarHBondContact O-NE2 2.99Å
40	P	93.7	Very high	92.4	Very high	50 Å²	50	55.6 Å²	55.6	33%	0.325	30%	0.301	S	S	.	.	S	Bend	trans	-47.9	-37.6	-176.5	-30.5	34.2	0	0	0	116	F49 H58	P40-F49 VanDerWaalsContact CA-CD2 3.47Å; P40-F49 HydrophobicContact CB-CB 3.77Å; P40-F49 HydrophobicContact CB-CD1 4.06Å; P40-F49 HydrophobicContact CB-CD2 3.83Å; P40-F49 HydrophobicContact CB-CE2 4.33Å; P40-F49 HydrophobicContact CB-CG 3.62Å; P40-F49 HydrophobicContact CG-CB 4.31Å; P40-F49 HydrophobicContact CG-CD1 3.62Å; P40-F49 HydrophobicContact CG-CD2 3.92Å; P40-F49 HydrophobicContact CG-CE1 3.72Å; P40-F49 HydrophobicContact CG-CE2 3.99Å; P40-F49 HydrophobicContact CG-CG 3.68Å; P40-F49 HydrophobicContact CG-CZ 3.86Å; P40-H58 VanDerWaalsContact C-NE2 3.31Å; P40-H58 VanDerWaalsContact CA-NE2 3.35Å; P40-H58 WeakPolarHBondContact CA-NE2 3.37Å; P40-H58 PolarHBondContact O-CD2 3.42Å; P40-H58 PolarHBondContact O-NE2 2.85Å
41	G	93	Very high	92.9	Very high	57 Å²	57	59.8 Å²	59.8	59%	0.588	31%	0.311	S	S	*	.			trans	58.9	-147.6	178.7	0	0	0	0	0	113.4	E39	E39-G41 PolarHBondContact O-N 3.02Å
42	D	92.3	Very high	92.8	Very high	55 Å²	55	61.8 Å²	61.8	29%	0.294	31%	0.314	S	S	.	.			trans	-91.8	115.9	-177.5	177.6	-3.1	0	0	0	110.3	E44 K45 L46	D42-E44 PolarHBondContact O-N 3.35Å; D42-E44 WeakPolarHBondContact OD1-CB 3.31Å; D42-E44 PolarHBondContact OD1-N 3.32Å; D42-K45 HydrophobicContact CB-CB 4.3Å; D42-K45 HydrophobicContact CB-CD 4.46Å; D42-K45 HydrophobicContact CB-CG 4.31Å; D42-K45 PolarHBondContact O-N 3.33Å; D42-K45 IonicContact OD2-NZ 3.5Å; D42-K45 PolarHBondContact OD2-NZ 3.46Å; D42-L46 PolarHBondContact O-N 3.44Å
43	P	92.2	Very high	92.5	Very high	78 Å²	78	65.4 Å²	65.4	51%	0.506	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-27.4	179.9	-23.7	34	0	0	0	114	K45 G47	P43-K45 VanDerWaalsContact C-N 3.27Å; P43-K45 PolarHBondContact O-N 2.87Å; P43-G47 CarbonylContact O-C 3.59Å; P43-G47 WeakPolarHBondContact O-CA 2.92Å; P43-G47 PolarHBondContact O-N 2.93Å
44	E	88.1	Confident	92.2	Very high	84 Å²	84	72.4 Å²	72.4	39%	0.393	37%	0.369	S	S	.	.	H	α-helix	trans	-68.7	-29.5	176.3	-66.3	-174.4	-172.7	0	0	111.8	D42	D42-E44 PolarHBondContact O-N 3.35Å; D42-E44 WeakPolarHBondContact OD1-CB 3.31Å; D42-E44 PolarHBondContact OD1-N 3.32Å
45	K	91.8	Very high	92.2	Very high	105 Å²	105	68.4 Å²	68.4	46%	0.457	36%	0.355	S	S	.	.	H	α-helix	trans	-93.8	-34.3	-178.1	-66.7	-171.2	-176.3	86.5	0	113.3	D42 P43 F60 Q125	D42-K45 HydrophobicContact CB-CB 4.3Å; D42-K45 HydrophobicContact CB-CD 4.46Å; D42-K45 HydrophobicContact CB-CG 4.31Å; D42-K45 PolarHBondContact O-N 3.33Å; D42-K45 IonicContact OD2-NZ 3.5Å; D42-K45 PolarHBondContact OD2-NZ 3.46Å; P43-K45 VanDerWaalsContact C-N 3.27Å; P43-K45 PolarHBondContact O-N 2.87Å; K45-F60 WeakPolarHBondContact O-CD2 3.4Å; K45-Q125 PolarHBondContact O-NE2 2.98Å
46	L	94.9	Very high	92.3	Very high	12 Å²	12	68.8 Å²	68.8	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-112.4	-7.6	-172.4	-60.5	176.6	0	0	0	112.7	D42 H58 F60 L121 P122	D42-L46 PolarHBondContact O-N 3.44Å; L46-H58 HydrophobicContact CB-CB 4.21Å; L46-H58 WeakPolarHBondContact O-CB 3.32Å; L46-F60 WeakPolarHBondContact O-CB 3.26Å; L46-F60 WeakPolarHBondContact O-CG 3.38Å; L46-F60 PolarHBondContact O-N 3.45Å; L46-L121 HydrophobicContact CD2-CD2 4.02Å; L46-L121 HydrophobicContact CD2-CG 4.23Å; L46-P122 HydrophobicContact CD2-CB 4.16Å; L46-P122 HydrophobicContact CD2-CG 4.37Å
47	G	94.4	Very high	92.6	Very high	3 Å²	3	68.4 Å²	68.4	3%	0.031	36%	0.355	C	S	.	.			trans	77.4	171.7	-169.2	0	0	0	0	0	110.7	P43 F49 F60	P43-G47 CarbonylContact O-C 3.59Å; P43-G47 WeakPolarHBondContact O-CA 2.92Å; P43-G47 PolarHBondContact O-N 2.93Å; G47-F49 PolarHBondContact O-N 2.65Å; G47-F60 VanDerWaalsContact N-CE2 3.31Å
48	E	94.2	Very high	92.9	Very high	124 Å²	124	63.1 Å²	63.1	58%	0.579	33%	0.327	S	S	*	.			trans	-51.8	139.6	176.4	-170.1	-178.8	167.5	0	0	111.5	L50 Y59	E48-L50 HydrophobicContact CB-CD2 4.13Å; E48-L50 HydrophobicContact CG-CD2 3.85Å; E48-L50 PolarHBondContact O-N 2.92Å; E48-Y59 WeakPolarHBondContact O-CB 3.49Å; E48-Y59 PolarHBondContact O-N 3.39Å
49	F	96.6	Very high	93.1	Very high	41 Å²	41	61.5 Å²	61.5	18%	0.18	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	103.3	174	-170.5	-101.7	0	0	0	109.7	P31 C33 P40 G47 H58	P31-F49 HydrophobicContact CB-CE1 3.97Å; P31-F49 HydrophobicContact CB-CZ 4.08Å; P31-F49 HydrophobicContact CG-CE1 3.85Å; P31-F49 HydrophobicContact CG-CZ 4.29Å; C33-F49 HydrophobicContact CB-CE2 4.17Å; P40-F49 VanDerWaalsContact CA-CD2 3.47Å; P40-F49 HydrophobicContact CB-CB 3.77Å; P40-F49 HydrophobicContact CB-CD1 4.06Å; P40-F49 HydrophobicContact CB-CD2 3.83Å; P40-F49 HydrophobicContact CB-CE2 4.33Å; P40-F49 HydrophobicContact CB-CG 3.62Å; P40-F49 HydrophobicContact CG-CB 4.31Å; P40-F49 HydrophobicContact CG-CD1 3.62Å; P40-F49 HydrophobicContact CG-CD2 3.92Å; P40-F49 HydrophobicContact CG-CE1 3.72Å; P40-F49 HydrophobicContact CG-CE2 3.99Å; P40-F49 HydrophobicContact CG-CG 3.68Å; P40-F49 HydrophobicContact CG-CZ 3.86Å; G47-F49 PolarHBondContact O-N 2.65Å; F49-H58 AromaticContact CD2-CD2 3.51Å; F49-H58 AromaticContact CD2-NE2 3.53Å; F49-H58 AromaticContact CE2-NE2 3.88Å
50	L	94.7	Very high	93.2	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.8	-175.1	-53.1	173.7	0	0	0	109.8	E48 S56 V57 Y59 L62 F78	E48-L50 HydrophobicContact CB-CD2 4.13Å; E48-L50 HydrophobicContact CG-CD2 3.85Å; E48-L50 PolarHBondContact O-N 2.92Å; L50-S56 CarbonylContact O-C 3.59Å; L50-S56 WeakPolarHBondContact O-CA 3.26Å; L50-V57 HydrophobicContact CB-CG2 4.29Å; L50-V57 PolarHBondContact N-O 2.83Å; L50-V57 PolarHBondContact O-N 3.38Å; L50-Y59 HydrophobicContact CD1-CD2 4.23Å; L50-L62 HydrophobicContact CD1-CD2 4.45Å; L50-F78 HydrophobicContact CB-CD1 3.5Å; L50-F78 VanDerWaalsContact CB-CD1 3.5Å; L50-F78 HydrophobicContact CB-CE1 3.65Å; L50-F78 HydrophobicContact CB-CG 4.48Å; L50-F78 HydrophobicContact CD1-CB 4.12Å; L50-F78 HydrophobicContact CD1-CD1 4.02Å; L50-F78 HydrophobicContact CD1-CG 4.43Å; L50-F78 HydrophobicContact CG-CD1 4.34Å
51	Q	93.7	Very high	93.4	Very high	123 Å²	123	55.3 Å²	55.3	58%	0.575	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.9	176.1	-174.6	174.1	-32.8	0	0	110.4	I55	Q51-I55 WeakPolarHBondContact CA-O 3.31Å
52	K	90	Very high	93.5	Very high	97 Å²	97	52.6 Å²	52.6	42%	0.422	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	131	175	-171.1	171.3	178.8	167.2	0	108.7	N54 I55 F78	K52-N54 PolarHBondContact O-N 3.3Å; K52-I55 PolarHBondContact N-O 2.88Å; K52-I55 PolarHBondContact O-N 2.79Å; K52-F78 HydrophobicContact CB-CE1 3.54Å; K52-F78 HydrophobicContact CB-CE2 4.28Å; K52-F78 HydrophobicContact CB-CZ 3.41Å; K52-F78 VanDerWaalsContact CB-CZ 3.41Å
53	D	86.5	Confident	93.6	Very high	131 Å²	131	50.5 Å²	50.5	70%	0.701	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	-123.8	-171.9	-49.5	-48.2	0	0	0	110.8
54	N	89	Confident	93.8	Very high	147 Å²	147	46.9 Å²	46.9	79%	0.786	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	11.5	179	-65.1	-34.7	0	0	0	113.6	W34 K52	W34-N54 VanDerWaalsContact CZ2-O 3.25Å; W34-N54 WeakPolarHBondContact CZ2-O 3.13Å; W34-N54 PolarHBondContact NE1-O 3.34Å; K52-N54 PolarHBondContact O-N 3.3Å
55	I	92.9	Very high	94.2	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.6	-178.4	-57.4	178.4	0	0	0	109.3	W34 Q51 K52 V57 F78 P83 I86 K87	W34-I55 HydrophobicContact CD2-CG2 4.46Å; W34-I55 HydrophobicContact CG-CG2 4.45Å; W34-I55 HydrophobicContact CH2-CG1 4.46Å; W34-I55 HydrophobicContact CZ2-CG1 4.22Å; Q51-I55 WeakPolarHBondContact CA-O 3.31Å; K52-I55 PolarHBondContact N-O 2.88Å; K52-I55 PolarHBondContact O-N 2.79Å; I55-V57 HydrophobicContact CG2-CG1 4.11Å; I55-F78 HydrophobicContact CB-CE2 4.01Å; I55-F78 HydrophobicContact CB-CZ 4.21Å; I55-F78 HydrophobicContact CG2-CE2 3.75Å; I55-F78 HydrophobicContact CG2-CZ 4.18Å; I55-P83 HydrophobicContact CD1-CB 3.64Å; I55-P83 HydrophobicContact CD1-CG 4.5Å; I55-I86 HydrophobicContact CG2-CG2 4.16Å; I55-K87 HydrophobicContact CD1-CG 4.47Å
56	S	95.1	Very high	94.3	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.6	173.5	44.6	0	0	0	0	109.4	V32 C33 W34 L50	V32-S56 PolarHBondContact O-OG 3.1Å; C33-S56 CarbonylContact C-O 3.45Å; C33-S56 VanDerWaalsContact CA-O 3.26Å; C33-S56 WeakPolarHBondContact CA-O 3.4Å; W34-S56 VanDerWaalsContact CD1-O 3.32Å; W34-S56 PolarHBondContact N-O 3.47Å; L50-S56 CarbonylContact O-C 3.59Å; L50-S56 WeakPolarHBondContact O-CA 3.26Å
57	V	95.6	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146	-176.4	-71.9	0	0	0	0	111.2	W34 L35 L50 I55 L62 F78 I86	W34-V57 HydrophobicContact CB-CG1 4.08Å; L35-V57 HydrophobicContact CD1-CG1 4.48Å; L35-V57 HydrophobicContact CG-CG1 4.38Å; L50-V57 HydrophobicContact CB-CG2 4.29Å; L50-V57 PolarHBondContact N-O 2.83Å; L50-V57 PolarHBondContact O-N 3.38Å; I55-V57 HydrophobicContact CG2-CG1 4.11Å; V57-L62 HydrophobicContact CG2-CD1 4.31Å; V57-F78 HydrophobicContact CG2-CD2 4.37Å; V57-F78 HydrophobicContact CG2-CE2 4.42Å; V57-F78 HydrophobicContact CG2-CG 4.43Å; V57-I86 HydrophobicContact CG1-CG2 4.04Å
58	H	96.8	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.2	166.9	-64.3	117.2	0	0	0	109.9	C33 C36 E39 P40 L46 F49 F60 C61 L62	C33-H58 VanDerWaalsContact CB-CE1 3.41Å; C33-H58 WeakPolarHBondContact CB-CE1 3.25Å; C33-H58 WeakPolarHBondContact CB-ND1 3.49Å; C33-H58 PolarHBondContact SG-N 3.12Å; C33-H58 VanDerWaalsContact SG-N 3.42Å; C33-H58 PolarHBondContact SG-ND1 3.33Å; C36-H58 PolarHBondContact SG-ND1 3.42Å; E39-H58 PolarHBondContact O-CE1 3.03Å; E39-H58 PolarHBondContact O-NE2 2.99Å; P40-H58 VanDerWaalsContact C-NE2 3.31Å; P40-H58 VanDerWaalsContact CA-NE2 3.35Å; P40-H58 WeakPolarHBondContact CA-NE2 3.37Å; P40-H58 PolarHBondContact O-CD2 3.42Å; P40-H58 PolarHBondContact O-NE2 2.85Å; L46-H58 HydrophobicContact CB-CB 4.21Å; L46-H58 WeakPolarHBondContact O-CB 3.32Å; F49-H58 AromaticContact CD2-CD2 3.51Å; F49-H58 AromaticContact CD2-NE2 3.53Å; F49-H58 AromaticContact CE2-NE2 3.88Å; H58-F60 VanDerWaalsContact C-N 3.3Å; H58-F60 PolarHBondContact O-N 3.29Å; H58-C61 HydrophobicContact CB-CB 3.93Å; H58-C61 WeakPolarHBondContact O-CB 3.43Å; H58-C61 PolarHBondContact O-N 3.49Å; H58-L62 PolarHBondContact O-N 3.17Å
59	Y	95.8	Very high	94.2	Very high	58 Å²	58	42.7 Å²	42.7	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-54.2	-43.2	177.8	175.6	-116.6	0	0	0	112.4	E48 L50 C61 L62 I63 H79	E48-Y59 WeakPolarHBondContact O-CB 3.49Å; E48-Y59 PolarHBondContact O-N 3.39Å; L50-Y59 HydrophobicContact CD1-CD2 4.23Å; Y59-C61 PolarHBondContact O-N 2.76Å; Y59-L62 VanDerWaalsContact O-CB 3.23Å; Y59-L62 WeakPolarHBondContact O-CB 3.19Å; Y59-L62 PolarHBondContact O-N 2.79Å; Y59-L62 VanDerWaalsContact O-N 3.14Å; Y59-I63 HydrophobicContact CD1-CD1 4.36Å; Y59-I63 HydrophobicContact CD2-CG2 4.14Å; Y59-I63 HydrophobicContact CE1-CD1 3.88Å; Y59-I63 HydrophobicContact CE2-CG2 3.58Å; Y59-I63 PolarHBondContact O-N 3.21Å; Y59-I63 VanDerWaalsContact O-N 3.12Å; Y59-H79 AromaticContact CD2-CD2 3.98Å; Y59-H79 AromaticContact CE2-CD2 4Å
60	F	97	Very high	93.9	Very high	9 Å²	9	46 Å²	46	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-72.1	-28.4	177.9	-60.5	-18.3	0	0	0	113	K45 L46 G47 H58 L62 I63 L64 L121 F133 H223	K45-F60 WeakPolarHBondContact O-CD2 3.4Å; L46-F60 WeakPolarHBondContact O-CB 3.26Å; L46-F60 WeakPolarHBondContact O-CG 3.38Å; L46-F60 PolarHBondContact O-N 3.45Å; G47-F60 VanDerWaalsContact N-CE2 3.31Å; H58-F60 VanDerWaalsContact C-N 3.3Å; H58-F60 PolarHBondContact O-N 3.29Å; F60-L62 PolarHBondContact O-N 3.16Å; F60-I63 HydrophobicContact CD1-CD1 3.86Å; F60-L64 HydrophobicContact CB-CD1 4.24Å; F60-L64 WeakPolarHBondContact O-CB 3.41Å; F60-L64 WeakPolarHBondContact O-CD1 3.3Å; F60-L64 WeakPolarHBondContact O-CG 3.09Å; F60-L64 PolarHBondContact O-N 3.05Å; F60-L64 VanDerWaalsContact O-N 3.16Å; F60-L121 HydrophobicContact CB-CD2 3.46Å; F60-L121 VanDerWaalsContact CB-CD2 3.46Å; F60-F133 HydrophobicContact CB-CE1 4.12Å; F60-F133 HydrophobicContact CD1-CD1 4.34Å; F60-F133 AromaticContact CD1-CE1 3.71Å; F60-F133 HydrophobicContact CD1-CE1 3.71Å; F60-F133 AromaticContact CD2-CE1 3.95Å; F60-F133 HydrophobicContact CD2-CE1 3.95Å; F60-F133 HydrophobicContact CD2-CZ 4.03Å; F60-F133 HydrophobicContact CE1-CD1 4.49Å; F60-F133 HydrophobicContact CE1-CE1 4.07Å; F60-F133 HydrophobicContact CE2-CE1 4.31Å; F60-F133 HydrophobicContact CE2-CZ 4.3Å; F60-F133 AromaticContact CG-CE1 3.67Å; F60-F133 HydrophobicContact CG-CE1 3.67Å; F60-F133 HydrophobicContact CG-CZ 4.2Å; F60-F133 HydrophobicContact CZ-CE1 4.38Å; F60-H223 AromaticContact CE1-CE1 3.54Å; F60-H223 AromaticContact CE1-CG 3.88Å; F60-H223 AromaticContact CE1-ND1 3.54Å; F60-H223 AromaticContact CE1-NE2 3.87Å; F60-H223 HydrophobicContact CZ-CB 4.19Å; F60-H223 AromaticContact CZ-CE1 3.76Å; F60-H223 AromaticContact CZ-CG 3.74Å; F60-H223 AromaticContact CZ-ND1 3.3Å; F60-H223 VanDerWaalsContact CZ-ND1 3.3Å; F60-H223 WeakPolarHBondContact CZ-ND1 3.21Å
61	C	96.1	Very high	93.7	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-32.4	171.7	-68.7	0	0	0	0	111.4	L35 H58 Y59 S65	L35-C61 HydrophobicContact CB-CB 4.04Å; L35-C61 HydrophobicContact CD1-CB 3.97Å; L35-C61 VanDerWaalsContact CD1-O 3.29Å; L35-C61 WeakPolarHBondContact CD1-O 3.47Å; H58-C61 HydrophobicContact CB-CB 3.93Å; H58-C61 WeakPolarHBondContact O-CB 3.43Å; H58-C61 PolarHBondContact O-N 3.49Å; Y59-C61 PolarHBondContact O-N 2.76Å; C61-S65 WeakPolarHBondContact O-CB 3.3Å; C61-S65 PolarHBondContact O-N 3.02Å
62	L	95.3	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-59.8	179	-166.7	73.5	0	0	0	110.8	L50 V57 H58 Y59 F60 L64 S65 L68 F78 F81 I86	L50-L62 HydrophobicContact CD1-CD2 4.45Å; V57-L62 HydrophobicContact CG2-CD1 4.31Å; H58-L62 PolarHBondContact O-N 3.17Å; Y59-L62 VanDerWaalsContact O-CB 3.23Å; Y59-L62 WeakPolarHBondContact O-CB 3.19Å; Y59-L62 PolarHBondContact O-N 2.79Å; Y59-L62 VanDerWaalsContact O-N 3.14Å; F60-L62 PolarHBondContact O-N 3.16Å; L62-L64 PolarHBondContact O-N 3.37Å; L62-S65 WeakPolarHBondContact O-CB 3.35Å; L62-S65 PolarHBondContact O-N 3.04Å; L62-L68 HydrophobicContact CD1-CD2 3.4Å; L62-L68 HydrophobicContact CG-CD2 3.96Å; L62-F78 HydrophobicContact CD2-CB 3.89Å; L62-F81 HydrophobicContact CD1-CB 3.9Å; L62-F81 HydrophobicContact CD1-CD1 4.33Å; L62-F81 HydrophobicContact CD1-CD2 4.33Å; L62-F81 HydrophobicContact CD1-CG 3.94Å; L62-F81 HydrophobicContact CD2-CB 3.91Å; L62-F81 HydrophobicContact CD2-CD2 3.23Å; L62-F81 HydrophobicContact CD2-CE2 3.84Å; L62-F81 HydrophobicContact CD2-CG 3.67Å; L62-F81 HydrophobicContact CG-CB 4.07Å; L62-F81 HydrophobicContact CG-CD1 4.11Å; L62-F81 HydrophobicContact CG-CD2 3.55Å; L62-F81 HydrophobicContact CG-CE1 4.41Å; L62-F81 HydrophobicContact CG-CE2 3.91Å; L62-F81 HydrophobicContact CG-CG 3.63Å; L62-F81 HydrophobicContact CG-CZ 4.31Å; L62-I86 HydrophobicContact CD1-CD1 3.7Å; L62-I86 HydrophobicContact CD1-CG1 3.79Å
63	I	95	Very high	92.9	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-29.7	-175.3	69.5	-170.4	0	0	0	113.4	Y59 F60 F81 F133 Y137	Y59-I63 HydrophobicContact CD1-CD1 4.36Å; Y59-I63 HydrophobicContact CD2-CG2 4.14Å; Y59-I63 HydrophobicContact CE1-CD1 3.88Å; Y59-I63 HydrophobicContact CE2-CG2 3.58Å; Y59-I63 PolarHBondContact O-N 3.21Å; Y59-I63 VanDerWaalsContact O-N 3.12Å; F60-I63 HydrophobicContact CD1-CD1 3.86Å; I63-F81 HydrophobicContact CG2-CE2 4Å; I63-F81 HydrophobicContact CG2-CZ 4.21Å; I63-F133 HydrophobicContact CD1-CD1 3.85Å; I63-F133 HydrophobicContact CD1-CE1 4.21Å; I63-Y137 HydrophobicContact CB-CD1 4.21Å; I63-Y137 HydrophobicContact CB-CE1 4.3Å; I63-Y137 HydrophobicContact CB-CG 4.41Å; I63-Y137 HydrophobicContact CD1-CD1 4.17Å; I63-Y137 HydrophobicContact CD1-CE1 4Å; I63-Y137 HydrophobicContact CG1-CD1 4.11Å; I63-Y137 HydrophobicContact CG1-CE1 4.33Å; I63-Y137 WeakPolarHBondContact O-CB 3.16Å
64	L	97.3	Very high	92.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.9	180	-59.7	174.2	0	0	0	113.1	F60 L62 S66 I108 L121 S131 F133 Y137	F60-L64 HydrophobicContact CB-CD1 4.24Å; F60-L64 WeakPolarHBondContact O-CB 3.41Å; F60-L64 WeakPolarHBondContact O-CD1 3.3Å; F60-L64 WeakPolarHBondContact O-CG 3.09Å; F60-L64 PolarHBondContact O-N 3.05Å; F60-L64 VanDerWaalsContact O-N 3.16Å; L62-L64 PolarHBondContact O-N 3.37Å; L64-S66 PolarHBondContact O-N 3.04Å; L64-I108 HydrophobicContact CB-CD1 3.76Å; L64-I108 HydrophobicContact CB-CG1 4.33Å; L64-I108 HydrophobicContact CD1-CD1 4.34Å; L64-L121 HydrophobicContact CD1-CD1 3.57Å; L64-L121 HydrophobicContact CD1-CD2 4.16Å; L64-L121 HydrophobicContact CD1-CG 4.47Å; L64-S131 VanDerWaalsContact CD1-CB 3.47Å; L64-F133 HydrophobicContact CD1-CE1 3.9Å; L64-F133 HydrophobicContact CD1-CZ 4.09Å; L64-F133 HydrophobicContact CD2-CD1 4.34Å; L64-F133 HydrophobicContact CD2-CE1 4.22Å; L64-F133 HydrophobicContact CG-CE1 4.24Å; L64-Y137 HydrophobicContact CD2-CD1 4.48Å
65	S	96.5	Very high	92.1	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.063	22%	0.222	C	C	.	.			trans	-65.6	127.2	178.4	168.1	0	0	0	0	110.7	C61 L62 K67 L68 E89	C61-S65 WeakPolarHBondContact O-CB 3.3Å; C61-S65 PolarHBondContact O-N 3.02Å; L62-S65 WeakPolarHBondContact O-CB 3.35Å; L62-S65 PolarHBondContact O-N 3.04Å; S65-K67 VanDerWaalsContact C-N 3.28Å; S65-K67 PolarHBondContact O-N 3.04Å; S65-L68 WeakPolarHBondContact OG-CB 3.39Å; S65-E89 WeakPolarHBondContact OG-CG 3.35Å; S65-E89 PolarHBondContact OG-OE1 3.26Å
66	S	93.9	Very high	91.5	Very high	26 Å²	26	51.6 Å²	51.6	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.7	-164.7	-47.7	0	0	0	0	115.5	L64 A107 I108 N109	L64-S66 PolarHBondContact O-N 3.04Å; S66-A107 PolarHBondContact N-O 2.88Å; S66-I108 WeakPolarHBondContact OG-CA 3.18Å; S66-N109 WeakPolarHBondContact CB-OD1 3.44Å; S66-N109 PolarHBondContact OG-N 3.44Å; S66-N109 PolarHBondContact OG-OD1 3.31Å; S66-N109 VanDerWaalsContact OG-OD1 3.05Å
67	K	93.6	Very high	90.9	Very high	142 Å²	142	52 Å²	52	62%	0.617	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	23.5	178.7	-59.8	-66.1	165.3	-161.1	0	112.5	S65 P69 E89	S65-K67 VanDerWaalsContact C-N 3.28Å; S65-K67 PolarHBondContact O-N 3.04Å; K67-P69 WeakPolarHBondContact O-CD 3.33Å; K67-E89 WeakPolarHBondContact CB-OE2 3.29Å
68	L	94.4	Very high	90.5	Very high	19 Å²	19	52.7 Å²	52.7	10%	0.099	26%	0.257	C	S	.	.			trans	-100.9	112.9	176.9	-173.5	66.7	0	0	0	110.7	L62 S65 F81 D85 I86 E89	L62-L68 HydrophobicContact CD1-CD2 3.4Å; L62-L68 HydrophobicContact CG-CD2 3.96Å; S65-L68 WeakPolarHBondContact OG-CB 3.39Å; L68-F81 HydrophobicContact CD1-CD1 4.49Å; L68-F81 HydrophobicContact CD2-CD1 3.48Å; L68-F81 VanDerWaalsContact CD2-CD1 3.48Å; L68-F81 HydrophobicContact CD2-CE1 3.81Å; L68-F81 HydrophobicContact CD2-CG 4.24Å; L68-F81 HydrophobicContact CG-CD1 3.61Å; L68-F81 HydrophobicContact CG-CE1 3.89Å; L68-D85 VanDerWaalsContact CD1-C 3.4Å; L68-D85 HydrophobicContact CD1-CB 3.98Å; L68-D85 WeakPolarHBondContact CD1-O 3.44Å; L68-I86 HydrophobicContact CD1-CG1 4.13Å; L68-I86 HydrophobicContact CD2-CG1 4.22Å; L68-E89 HydrophobicContact CB-CB 4.34Å; L68-E89 HydrophobicContact CB-CG 4.07Å; L68-E89 HydrophobicContact CD1-CB 3.81Å; L68-E89 HydrophobicContact CD1-CG 4.36Å
69	P	92.1	Very high	90	Very high	45 Å²	45	56.3 Å²	56.3	29%	0.292	27%	0.273	S	S	.	.			trans	-86.3	141.7	179.2	35.2	-36.1	0	0	0	111.8	K67 R71 D85	K67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-R71 HydrophobicContact CB-CG 4.01Å; P69-R71 VanDerWaalsContact CG-NE 3.3Å; P69-D85 HydrophobicContact CG-CB 4.48Å
70	Q	90.9	Very high	89.8	Confident	111 Å²	111	53.6 Å²	53.6	52%	0.519	26%	0.263	S	S	.	.			trans	-98.4	93.7	172.8	-168.1	-178.5	11.6	0	0	108.7	H79 F81	Q70-H79 PolarHBondContact NE2-O 2.85Å; Q70-F81 HydrophobicContact CB-CD1 4.07Å; Q70-F81 HydrophobicContact CB-CE1 3.66Å; Q70-F81 HydrophobicContact CB-CE2 4.17Å; Q70-F81 HydrophobicContact CB-CZ 3.72Å; Q70-F81 HydrophobicContact CG-CD1 4.4Å; Q70-F81 HydrophobicContact CG-CD2 4.08Å; Q70-F81 HydrophobicContact CG-CE1 4.21Å; Q70-F81 HydrophobicContact CG-CE2 3.85Å; Q70-F81 HydrophobicContact CG-CG 4.38Å; Q70-F81 HydrophobicContact CG-CZ 3.94Å
71	R	89.6	Confident	89.6	Confident	168 Å²	168	53.5 Å²	53.5	63%	0.634	26%	0.263	S	S	*	.			trans	-119.8	-10.4	-173.6	-61.5	179.8	-83.4	-177.5	-4.7	113.9	P69 G80 D85	P69-R71 HydrophobicContact CB-CG 4.01Å; P69-R71 VanDerWaalsContact CG-NE 3.3Å; R71-G80 PolarHBondContact N-O 3.18Å; R71-D85 IonicContact CZ-OD2 3.13Å; R71-D85 IonicContact NE-OD2 2.69Å; R71-D85 PolarHBondContact NE-OD2 3.05Å; R71-D85 VanDerWaalsContact NH2-CG 3.3Å; R71-D85 IonicContact NH2-OD1 2.6Å; R71-D85 PolarHBondContact NH2-OD1 3.18Å; R71-D85 IonicContact NH2-OD2 3.87Å; R71-D85 PolarHBondContact NH2-OD2 3.06Å
72	G	84.6	Confident	89.5	Confident	21 Å²	21	55.6 Å²	55.6	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	-79.1	158	175.2	0	0	0	0	0	111.5	G80	G72-G80 VanDerWaalsContact CA-O 3.27Å; G72-G80 WeakPolarHBondContact CA-O 3.47Å; G72-G80 PolarHBondContact N-O 2.91Å; G72-G80 VanDerWaalsContact O-CA 3.29Å; G72-G80 WeakPolarHBondContact O-CA 3.45Å
73	Q	82.4	Confident	89.3	Confident	123 Å²	123	57 Å²	57	58%	0.575	28%	0.283	S	S	*	.			trans	-60.1	152.1	161.8	-67.7	173.3	-23.6	0	0	109.7	N75 R76 G80	Q73-N75 WeakPolarHBondContact CB-OD1 3.47Å; Q73-N75 PolarHBondContact O-N 3.06Å; Q73-N75 VanDerWaalsContact O-N 3.14Å; Q73-R76 HydrophobicContact CB-CG 4.39Å; Q73-R76 PolarHBondContact O-N 3.22Å; Q73-G80 VanDerWaalsContact O-CA 3.24Å; Q73-G80 WeakPolarHBondContact O-CA 3.29Å; Q73-G80 PolarHBondContact O-N 3.21Å
74	S	78.5	Confident	89.3	Confident	53 Å²	53	61.4 Å²	61.4	37%	0.371	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.5	-176.2	50.1	0	0	0	0	114.6	R76 L341	S74-R76 VanDerWaalsContact C-N 3.29Å; S74-R76 PolarHBondContact O-N 3.47Å; S74-L341 WeakPolarHBondContact OG-CD1 3.36Å; S74-L341 WeakPolarHBondContact OG-CD2 3.32Å
75	N	80.3	Confident	89.1	Confident	118 Å²	118	62 Å²	62	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.2	177.1	67.3	-8	0	0	0	114.1	Q73	Q73-N75 WeakPolarHBondContact CB-OD1 3.47Å; Q73-N75 PolarHBondContact O-N 3.06Å; Q73-N75 VanDerWaalsContact O-N 3.14Å
76	R	80.9	Confident	89.1	Confident	156 Å²	156	61.5 Å²	61.5	59%	0.589	30%	0.303	S	S	*	.	S	Bend	trans	-99.7	138.5	178.6	-65.1	-166	-179.6	-153.9	-1.8	111.1	Q73 S74 F78 G80 L82	Q73-R76 HydrophobicContact CB-CG 4.39Å; Q73-R76 PolarHBondContact O-N 3.22Å; S74-R76 VanDerWaalsContact C-N 3.29Å; S74-R76 PolarHBondContact O-N 3.47Å; R76-F78 PolarHBondContact O-N 3.39Å; R76-G80 VanDerWaalsContact O-CA 3.32Å; R76-G80 WeakPolarHBondContact O-CA 3.4Å; R76-G80 PolarHBondContact O-N 2.83Å; R76-L82 HydrophobicContact CB-CD2 4.36Å
77	G	82.6	Confident	89	Confident	18 Å²	18	65.2 Å²	65.2	19%	0.186	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-130.8	-178.7	0	0	0	0	0	111.9	F81	G77-F81 WeakPolarHBondContact CA-O 3.43Å
78	F	88	Confident	89.1	Confident	14 Å²	14	65 Å²	65	6%	0.061	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-111.4	101.1	173.6	-62.2	-80.8	0	0	0	108.5	L50 K52 I55 V57 L62 R76 G80 F81 I86	L50-F78 HydrophobicContact CB-CD1 3.5Å; L50-F78 VanDerWaalsContact CB-CD1 3.5Å; L50-F78 HydrophobicContact CB-CE1 3.65Å; L50-F78 HydrophobicContact CB-CG 4.48Å; L50-F78 HydrophobicContact CD1-CB 4.12Å; L50-F78 HydrophobicContact CD1-CD1 4.02Å; L50-F78 HydrophobicContact CD1-CG 4.43Å; L50-F78 HydrophobicContact CG-CD1 4.34Å; K52-F78 HydrophobicContact CB-CE1 3.54Å; K52-F78 HydrophobicContact CB-CE2 4.28Å; K52-F78 HydrophobicContact CB-CZ 3.41Å; K52-F78 VanDerWaalsContact CB-CZ 3.41Å; I55-F78 HydrophobicContact CB-CE2 4.01Å; I55-F78 HydrophobicContact CB-CZ 4.21Å; I55-F78 HydrophobicContact CG2-CE2 3.75Å; I55-F78 HydrophobicContact CG2-CZ 4.18Å; V57-F78 HydrophobicContact CG2-CD2 4.37Å; V57-F78 HydrophobicContact CG2-CE2 4.42Å; V57-F78 HydrophobicContact CG2-CG 4.43Å; L62-F78 HydrophobicContact CD2-CB 3.89Å; R76-F78 PolarHBondContact O-N 3.39Å; F78-G80 VanDerWaalsContact C-N 3.26Å; F78-G80 PolarHBondContact O-N 3.35Å; F78-F81 PolarHBondContact N-O 3.41Å; F78-F81 VanDerWaalsContact O-CB 3.31Å; F78-F81 WeakPolarHBondContact O-CB 3.09Å; F78-F81 VanDerWaalsContact O-CD2 3.25Å; F78-F81 WeakPolarHBondContact O-CD2 3.41Å; F78-F81 PolarHBondContact O-N 2.9Å; F78-I86 HydrophobicContact CD2-CD1 3.52Å; F78-I86 HydrophobicContact CE2-CD1 4.09Å
79	H	86.5	Confident	89.2	Confident	75 Å²	75	64.3 Å²	64.3	35%	0.347	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	40	-177.2	-52.6	-80.7	0	0	0	114.1	Y59 Q70 F81	Y59-H79 AromaticContact CD2-CD2 3.98Å; Y59-H79 AromaticContact CE2-CD2 4Å; Q70-H79 PolarHBondContact NE2-O 2.85Å; H79-F81 VanDerWaalsContact C-N 3.33Å; H79-F81 PolarHBondContact O-N 3.21Å
80	G	90.8	Very high	89.3	Confident	1 Å²	1	63 Å²	63	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-1.3	-176.9	0	0	0	0	0	115.4	R71 G72 Q73 R76 F78	R71-G80 PolarHBondContact N-O 3.18Å; G72-G80 VanDerWaalsContact CA-O 3.27Å; G72-G80 WeakPolarHBondContact CA-O 3.47Å; G72-G80 PolarHBondContact N-O 2.91Å; G72-G80 VanDerWaalsContact O-CA 3.29Å; G72-G80 WeakPolarHBondContact O-CA 3.45Å; Q73-G80 VanDerWaalsContact O-CA 3.24Å; Q73-G80 WeakPolarHBondContact O-CA 3.29Å; Q73-G80 PolarHBondContact O-N 3.21Å; R76-G80 VanDerWaalsContact O-CA 3.32Å; R76-G80 WeakPolarHBondContact O-CA 3.4Å; R76-G80 PolarHBondContact O-N 2.83Å; F78-G80 VanDerWaalsContact C-N 3.26Å; F78-G80 PolarHBondContact O-N 3.35Å
81	F	92.9	Very high	89.5	Confident	7 Å²	7	60.2 Å²	60.2	3%	0.031	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-82.9	115	167.5	-66.3	-83.9	0	0	0	110.4	L62 I63 L68 Q70 G77 F78 H79 I86	L62-F81 HydrophobicContact CD1-CB 3.9Å; L62-F81 HydrophobicContact CD1-CD1 4.33Å; L62-F81 HydrophobicContact CD1-CD2 4.33Å; L62-F81 HydrophobicContact CD1-CG 3.94Å; L62-F81 HydrophobicContact CD2-CB 3.91Å; L62-F81 HydrophobicContact CD2-CD2 3.23Å; L62-F81 HydrophobicContact CD2-CE2 3.84Å; L62-F81 HydrophobicContact CD2-CG 3.67Å; L62-F81 HydrophobicContact CG-CB 4.07Å; L62-F81 HydrophobicContact CG-CD1 4.11Å; L62-F81 HydrophobicContact CG-CD2 3.55Å; L62-F81 HydrophobicContact CG-CE1 4.41Å; L62-F81 HydrophobicContact CG-CE2 3.91Å; L62-F81 HydrophobicContact CG-CG 3.63Å; L62-F81 HydrophobicContact CG-CZ 4.31Å; I63-F81 HydrophobicContact CG2-CE2 4Å; I63-F81 HydrophobicContact CG2-CZ 4.21Å; L68-F81 HydrophobicContact CD1-CD1 4.49Å; L68-F81 HydrophobicContact CD2-CD1 3.48Å; L68-F81 VanDerWaalsContact CD2-CD1 3.48Å; L68-F81 HydrophobicContact CD2-CE1 3.81Å; L68-F81 HydrophobicContact CD2-CG 4.24Å; L68-F81 HydrophobicContact CG-CD1 3.61Å; L68-F81 HydrophobicContact CG-CE1 3.89Å; Q70-F81 HydrophobicContact CB-CD1 4.07Å; Q70-F81 HydrophobicContact CB-CE1 3.66Å; Q70-F81 HydrophobicContact CB-CE2 4.17Å; Q70-F81 HydrophobicContact CB-CZ 3.72Å; Q70-F81 HydrophobicContact CG-CD1 4.4Å; Q70-F81 HydrophobicContact CG-CD2 4.08Å; Q70-F81 HydrophobicContact CG-CE1 4.21Å; Q70-F81 HydrophobicContact CG-CE2 3.85Å; Q70-F81 HydrophobicContact CG-CG 4.38Å; Q70-F81 HydrophobicContact CG-CZ 3.94Å; G77-F81 WeakPolarHBondContact CA-O 3.43Å; F78-F81 PolarHBondContact N-O 3.41Å; F78-F81 VanDerWaalsContact O-CB 3.31Å; F78-F81 WeakPolarHBondContact O-CB 3.09Å; F78-F81 VanDerWaalsContact O-CD2 3.25Å; F78-F81 WeakPolarHBondContact O-CD2 3.41Å; F78-F81 PolarHBondContact O-N 2.9Å; H79-F81 VanDerWaalsContact C-N 3.33Å; H79-F81 PolarHBondContact O-N 3.21Å; F81-I86 HydrophobicContact CB-CD1 4.14Å; F81-I86 HydrophobicContact CB-CG1 4.35Å
82	L	93.2	Very high	89.8	Confident	49 Å²	49	54 Å²	54	26%	0.257	28%	0.277	S	S	.	.			trans	-75.7	137.9	-176.1	-60.2	179.3	0	0	0	111.5	R76 E84 D85 I86	R76-L82 HydrophobicContact CB-CD2 4.36Å; L82-E84 PolarHBondContact O-N 3.26Å; L82-E84 VanDerWaalsContact O-N 3.15Å; L82-D85 PolarHBondContact O-N 3.05Å; L82-I86 WeakPolarHBondContact O-CG1 3.47Å; L82-I86 PolarHBondContact O-N 2.75Å
83	P	92.4	Very high	90.3	Very high	29 Å²	29	53.1 Å²	53.1	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-49.3	-38.9	177.2	-32.5	39	0	0	0	114.7	I55 I86 K87	I55-P83 HydrophobicContact CD1-CB 3.64Å; I55-P83 HydrophobicContact CD1-CG 4.5Å; P83-I86 PolarHBondContact O-N 2.77Å; P83-K87 VanDerWaalsContact O-CG 3.26Å; P83-K87 WeakPolarHBondContact O-CG 3.21Å; P83-K87 PolarHBondContact O-N 3.24Å
84	E	93.3	Very high	90.8	Very high	105 Å²	105	50 Å²	50	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-39.6	-179.1	-61.6	67.8	-143.9	0	0	111.6	L82 K87 K88	L82-E84 PolarHBondContact O-N 3.26Å; L82-E84 VanDerWaalsContact O-N 3.15Å; E84-K87 PolarHBondContact O-N 3.43Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.38Å; E84-K88 PolarHBondContact O-N 2.79Å
85	D	94.7	Very high	91.6	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.064	27%	0.274	C	S	.	.	H	α-helix	trans	-73.3	-37	179.1	-75.3	-19.5	0	0	0	110.7	L68 P69 R71 L82 K87 K88 E89	L68-D85 VanDerWaalsContact CD1-C 3.4Å; L68-D85 HydrophobicContact CD1-CB 3.98Å; L68-D85 WeakPolarHBondContact CD1-O 3.44Å; P69-D85 HydrophobicContact CG-CB 4.48Å; R71-D85 IonicContact CZ-OD2 3.13Å; R71-D85 IonicContact NE-OD2 2.69Å; R71-D85 PolarHBondContact NE-OD2 3.05Å; R71-D85 VanDerWaalsContact NH2-CG 3.3Å; R71-D85 IonicContact NH2-OD1 2.6Å; R71-D85 PolarHBondContact NH2-OD1 3.18Å; R71-D85 IonicContact NH2-OD2 3.87Å; R71-D85 PolarHBondContact NH2-OD2 3.06Å; L82-D85 PolarHBondContact O-N 3.05Å; D85-K87 PolarHBondContact O-N 2.76Å; D85-K88 PolarHBondContact O-N 3.47Å; D85-K88 IonicContact OD1-NZ 3.52Å; D85-E89 WeakPolarHBondContact O-CB 3.37Å; D85-E89 PolarHBondContact O-N 3.29Å
86	I	94.7	Very high	92.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-44.5	172	-63.1	168.9	0	0	0	110.7	I55 V57 L62 L68 F78 F81 L82 P83 E89 A90	I55-I86 HydrophobicContact CG2-CG2 4.16Å; V57-I86 HydrophobicContact CG1-CG2 4.04Å; L62-I86 HydrophobicContact CD1-CD1 3.7Å; L62-I86 HydrophobicContact CD1-CG1 3.79Å; L68-I86 HydrophobicContact CD1-CG1 4.13Å; L68-I86 HydrophobicContact CD2-CG1 4.22Å; F78-I86 HydrophobicContact CD2-CD1 3.52Å; F78-I86 HydrophobicContact CE2-CD1 4.09Å; F81-I86 HydrophobicContact CB-CD1 4.14Å; F81-I86 HydrophobicContact CB-CG1 4.35Å; L82-I86 WeakPolarHBondContact O-CG1 3.47Å; L82-I86 PolarHBondContact O-N 2.75Å; P83-I86 PolarHBondContact O-N 2.77Å; I86-E89 PolarHBondContact O-N 2.69Å; I86-A90 WeakPolarHBondContact O-CB 3.5Å; I86-A90 PolarHBondContact O-N 2.63Å
87	K	93.8	Very high	93.1	Very high	104 Å²	104	51.8 Å²	51.8	45%	0.452	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-46.9	175.8	-73.7	171.2	178.7	172.9	0	111.8	W34 I55 P83 E84 D85 E89 A90 A91	W34-K87 HydrophobicContact CE3-CG 4.45Å; W34-K87 HydrophobicContact CH2-CG 4.34Å; W34-K87 HydrophobicContact CZ3-CG 3.71Å; I55-K87 HydrophobicContact CD1-CG 4.47Å; P83-K87 VanDerWaalsContact O-CG 3.26Å; P83-K87 WeakPolarHBondContact O-CG 3.21Å; P83-K87 PolarHBondContact O-N 3.24Å; E84-K87 PolarHBondContact O-N 3.43Å; D85-K87 PolarHBondContact O-N 2.76Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 3Å; K87-A90 PolarHBondContact O-N 3.38Å; K87-A91 WeakPolarHBondContact O-CB 3.46Å; K87-A91 PolarHBondContact O-N 2.84Å
88	K	95.2	Very high	93.8	Very high	136 Å²	136	50.9 Å²	50.9	59%	0.591	25%	0.248	S	C	*	.	H	α-helix	trans	-60.6	-42.5	176.7	-73.7	171.3	-169.3	165.1	0	111.5	E84 D85 A91 R92	E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.38Å; E84-K88 PolarHBondContact O-N 2.79Å; D85-K88 PolarHBondContact O-N 3.47Å; D85-K88 IonicContact OD1-NZ 3.52Å; K88-A91 WeakPolarHBondContact O-CB 3.35Å; K88-A91 PolarHBondContact O-N 3.33Å; K88-R92 PolarHBondContact O-N 3.32Å
89	E	96	Very high	94.3	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-43.4	178.7	173	58.3	-164	0	0	112.1	L35 S65 K67 L68 D85 I86 K87 A91 R92 A93	L35-E89 HydrophobicContact CD2-CG 3.81Å; S65-E89 WeakPolarHBondContact OG-CG 3.35Å; S65-E89 PolarHBondContact OG-OE1 3.26Å; K67-E89 WeakPolarHBondContact CB-OE2 3.29Å; L68-E89 HydrophobicContact CB-CB 4.34Å; L68-E89 HydrophobicContact CB-CG 4.07Å; L68-E89 HydrophobicContact CD1-CB 3.81Å; L68-E89 HydrophobicContact CD1-CG 4.36Å; D85-E89 WeakPolarHBondContact O-CB 3.37Å; D85-E89 PolarHBondContact O-N 3.29Å; I86-E89 PolarHBondContact O-N 2.69Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 3Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.95Å; E89-R92 CarbonylContact O-C 3.49Å; E89-R92 WeakPolarHBondContact O-CB 3.49Å; E89-R92 PolarHBondContact O-N 2.83Å; E89-R92 VanDerWaalsContact O-N 3.1Å; E89-R92 IonicContact OE1-CZ 2.74Å; E89-R92 IonicContact OE1-NE 2.73Å; E89-R92 PolarHBondContact OE1-NE 3.48Å; E89-R92 IonicContact OE1-NH2 3.8Å; E89-R92 PolarHBondContact OE1-NH2 2.79Å; E89-R92 WeakPolarHBondContact OE2-CD 3.22Å; E89-R92 IonicContact OE2-CZ 3.95Å; E89-R92 IonicContact OE2-NE 3.35Å; E89-R92 PolarHBondContact OE2-NE 2.94Å; E89-R92 IonicContact OE2-NH2 3.14Å; E89-A93 WeakPolarHBondContact O-CB 3.32Å; E89-A93 PolarHBondContact O-N 2.98Å
90	A	94.5	Very high	94.8	Very high	17 Å²	17	50.5 Å²	50.5	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-42.3	173.5	0	0	0	0	0	111.2	W34 L35 I86 K87 R92 A93 S94	W34-A90 HydrophobicContact CE3-CB 4.34Å; L35-A90 HydrophobicContact CD2-CB 4.32Å; I86-A90 WeakPolarHBondContact O-CB 3.5Å; I86-A90 PolarHBondContact O-N 2.63Å; K87-A90 PolarHBondContact O-N 3.38Å; A90-R92 PolarHBondContact O-N 3.12Å; A90-A93 PolarHBondContact O-N 3.37Å; A90-S94 WeakPolarHBondContact O-CB 3.27Å; A90-S94 PolarHBondContact O-N 3.43Å
91	A	95.2	Very high	95.1	Very high	53 Å²	53	52.7 Å²	52.7	44%	0.438	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-39.2	174.2	0	0	0	0	0	112.2	K87 K88 E89 S94	K87-A91 WeakPolarHBondContact O-CB 3.46Å; K87-A91 PolarHBondContact O-N 2.84Å; K88-A91 WeakPolarHBondContact O-CB 3.35Å; K88-A91 PolarHBondContact O-N 3.33Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.95Å; A91-S94 PolarHBondContact O-OG 3.33Å
92	R	95.8	Very high	95.3	Very high	39 Å²	39	59.5 Å²	59.5	15%	0.147	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-51.3	172	-173.2	-157.4	69	86.2	5.8	111.5	K88 E89 A90 S94 R95 A107	K88-R92 PolarHBondContact O-N 3.32Å; E89-R92 CarbonylContact O-C 3.49Å; E89-R92 WeakPolarHBondContact O-CB 3.49Å; E89-R92 PolarHBondContact O-N 2.83Å; E89-R92 VanDerWaalsContact O-N 3.1Å; E89-R92 IonicContact OE1-CZ 2.74Å; E89-R92 IonicContact OE1-NE 2.73Å; E89-R92 PolarHBondContact OE1-NE 3.48Å; E89-R92 IonicContact OE1-NH2 3.8Å; E89-R92 PolarHBondContact OE1-NH2 2.79Å; E89-R92 WeakPolarHBondContact OE2-CD 3.22Å; E89-R92 IonicContact OE2-CZ 3.95Å; E89-R92 IonicContact OE2-NE 3.35Å; E89-R92 PolarHBondContact OE2-NE 2.94Å; E89-R92 IonicContact OE2-NH2 3.14Å; A90-R92 PolarHBondContact O-N 3.12Å; R92-S94 PolarHBondContact O-N 3.16Å; R92-R95 PolarHBondContact O-N 3.13Å; R92-R95 VanDerWaalsContact O-N 3.08Å; R92-A107 PolarHBondContact NH2-O 3.43Å
93	A	94.9	Very high	95.4	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-34.1	-179.5	0	0	0	0	0	112.1	E89 A90 R95 K96 G105 A106 A107	E89-A93 WeakPolarHBondContact O-CB 3.32Å; E89-A93 PolarHBondContact O-N 2.98Å; A90-A93 PolarHBondContact O-N 3.37Å; A93-R95 PolarHBondContact O-N 3.3Å; A93-K96 PolarHBondContact O-N 3.15Å; A93-G105 CarbonylContact O-C 3.45Å; A93-G105 WeakPolarHBondContact O-CA 3.39Å; A93-G105 PolarHBondContact O-N 2.77Å; A93-A106 PolarHBondContact O-N 3.46Å; A93-A107 HydrophobicContact CB-CB 3.7Å
94	S	93.8	Very high	95.5	Very high	58 Å²	58	69.6 Å²	69.6	41%	0.406	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.5	176.2	80.9	0	0	0	0	113.9	A90 A91 R92 K104	A90-S94 WeakPolarHBondContact O-CB 3.27Å; A90-S94 PolarHBondContact O-N 3.43Å; A91-S94 PolarHBondContact O-OG 3.33Å; R92-S94 PolarHBondContact O-N 3.16Å; S94-K104 VanDerWaalsContact O-CB 3.31Å; S94-K104 WeakPolarHBondContact O-CB 2.83Å; S94-K104 VanDerWaalsContact O-CD 3.31Å; S94-K104 WeakPolarHBondContact O-CD 3.06Å; S94-K104 WeakPolarHBondContact O-CG 3.49Å
95	R	94.7	Very high	95.4	Very high	185 Å²	185	64.9 Å²	64.9	70%	0.698	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-11.1	176.5	-63.7	175.3	-74.3	178.3	-2	113.1	R92 A93	R92-R95 PolarHBondContact O-N 3.13Å; R92-R95 VanDerWaalsContact O-N 3.08Å; A93-R95 PolarHBondContact O-N 3.3Å
96	K	96.2	Very high	95.5	Very high	82 Å²	82	64.3 Å²	64.3	36%	0.357	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-96.1	133.8	-177.7	-59.3	-60	-176.3	178.3	0	110.8	A93 K104 G105 A106 N118	A93-K96 PolarHBondContact O-N 3.15Å; K96-K104 CarbonylContact O-C 3.59Å; K96-K104 VanDerWaalsContact O-CA 3.3Å; K96-K104 WeakPolarHBondContact O-CA 3.29Å; K96-G105 PolarHBondContact O-N 3.45Å; K96-A106 HydrophobicContact CB-CB 4.24Å; K96-A106 VanDerWaalsContact CB-O 3.3Å; K96-A106 WeakPolarHBondContact CB-O 3.24Å; K96-A106 PolarHBondContact O-N 3.14Å; K96-A106 VanDerWaalsContact O-N 3.16Å; K96-N118 HydrophobicContact CB-CB 4.23Å
97	I	96.9	Very high	95.5	Very high	97 Å²	97	64.5 Å²	64.5	50%	0.497	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-97.2	128.9	-178	-60.9	174.7	0	0	0	109.4	F99 K102 K104	I97-F99 PolarHBondContact O-N 3.46Å; I97-K102 WeakPolarHBondContact CG2-O 3.33Å; I97-K104 HydrophobicContact CG1-CG 4.45Å
98	C	97.5	Very high	95.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-67.5	125.3	173.3	176.6	0	0	0	0	110.1	V100 C101 K102 K103 A106 N118 H120	C98-V100 PolarHBondContact O-N 2.8Å; C98-V100 PolarHBondContact SG-N 3.45Å; C98-V100 VanDerWaalsContact SG-N 3.39Å; C98-C101 VanDerWaalsContact CB-SG 3.52Å; C98-C101 PolarHBondContact SG-N 3.01Å; C98-C101 VanDerWaalsContact SG-SG 3.69Å; C98-K102 WeakPolarHBondContact O-CA 3.23Å; C98-K102 PolarHBondContact O-N 3.39Å; C98-K103 PolarHBondContact N-O 3.48Å; C98-A106 HydrophobicContact CB-CB 3.95Å; C98-N118 CarbonylContact C-O 3.5Å; C98-N118 VanDerWaalsContact CA-O 3.29Å; C98-N118 WeakPolarHBondContact CA-O 3.25Å; C98-H120 WeakPolarHBondContact CB-ND1 3.49Å
99	F	97.7	Very high	95.8	Very high	34 Å²	34	55 Å²	55	15%	0.149	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.3	-180	83.8	-90.5	0	0	0	113.2	I97 K102 R117 N118 F119 R127 C129 C141	I97-F99 PolarHBondContact O-N 3.46Å; F99-K102 WeakPolarHBondContact O-CE 3.31Å; F99-K102 PolarHBondContact O-NZ 3.14Å; F99-R117 HydrophobicContact CB-CG 4.46Å; F99-R117 HydrophobicContact CD1-CB 4.03Å; F99-R117 HydrophobicContact CD1-CG 4.44Å; F99-R117 HydrophobicContact CG-CB 4.4Å; F99-R117 HydrophobicContact CG-CG 4.35Å; F99-N118 WeakPolarHBondContact CD1-O 3.49Å; F99-N118 PolarHBondContact N-O 2.88Å; F99-F119 HydrophobicContact CD1-CB 3.93Å; F99-F119 HydrophobicContact CD1-CD1 4.18Å; F99-F119 HydrophobicContact CD1-CG 4.49Å; F99-F119 HydrophobicContact CE1-CB 3.81Å; F99-F119 AromaticContact CE1-CD1 3.75Å; F99-F119 HydrophobicContact CE1-CD1 3.75Å; F99-F119 HydrophobicContact CE1-CG 4.05Å; F99-R127 HydrophobicContact CE2-CG 3.91Å; F99-R127 HydrophobicContact CZ-CG 3.92Å; F99-C129 VanDerWaalsContact CZ-SG 3.58Å; F99-C141 HydrophobicContact CE1-CB 4.35Å; F99-C141 HydrophobicContact CZ-CB 4.41Å
100	V	97	Very high	95.9	Very high	47 Å²	47	54.9 Å²	54.9	29%	0.285	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-65	-180	-172.3	0	0	0	0	110.7	C98 C123 R127	C98-V100 PolarHBondContact O-N 2.8Å; C98-V100 PolarHBondContact SG-N 3.45Å; C98-V100 VanDerWaalsContact SG-N 3.39Å; V100-C123 HydrophobicContact CB-CB 3.99Å; V100-C123 HydrophobicContact CG1-CB 4.31Å; V100-C123 HydrophobicContact CG2-CB 4.27Å; V100-R127 HydrophobicContact CG1-CB 4.18Å; V100-R127 HydrophobicContact CG2-CB 3.74Å; V100-R127 HydrophobicContact CG2-CG 3.9Å
101	C	96.4	Very high	96	Very high	47 Å²	47	56.8 Å²	56.8	32%	0.318	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.8	-174.5	75.5	0	0	0	0	114.4	C98 K103	C98-C101 VanDerWaalsContact CB-SG 3.52Å; C98-C101 PolarHBondContact SG-N 3.01Å; C98-C101 VanDerWaalsContact SG-SG 3.69Å; C101-K103 PolarHBondContact O-N 3.49Å; C101-K103 VanDerWaalsContact O-N 3.12Å
102	K	96.8	Very high	96.1	Very high	149 Å²	149	59.4 Å²	59.4	65%	0.648	28%	0.278	S	S	*	.			trans	62.4	9.8	-178.2	-48	-55.1	-173.2	-174.9	0	115.7	I97 C98 F99	I97-K102 WeakPolarHBondContact CG2-O 3.33Å; C98-K102 WeakPolarHBondContact O-CA 3.23Å; C98-K102 PolarHBondContact O-N 3.39Å; F99-K102 WeakPolarHBondContact O-CE 3.31Å; F99-K102 PolarHBondContact O-NZ 3.14Å
103	K	95.5	Very high	96.1	Very high	148 Å²	148	63.8 Å²	63.8	64%	0.643	30%	0.304	S	S	*	.			trans	-89.8	157.2	175.1	-58.9	-179	-179.1	-179.1	0	111.7	C98 C101	C98-K103 PolarHBondContact N-O 3.48Å; C101-K103 PolarHBondContact O-N 3.49Å; C101-K103 VanDerWaalsContact O-N 3.12Å
104	K	94.1	Very high	96.1	Very high	143 Å²	143	73 Å²	73	62%	0.622	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-68.7	166.6	173	-77.2	175.3	174.4	-175.6	0	111.9	S94 K96 I97 H120	S94-K104 VanDerWaalsContact O-CB 3.31Å; S94-K104 WeakPolarHBondContact O-CB 2.83Å; S94-K104 VanDerWaalsContact O-CD 3.31Å; S94-K104 WeakPolarHBondContact O-CD 3.06Å; S94-K104 WeakPolarHBondContact O-CG 3.49Å; K96-K104 CarbonylContact O-C 3.59Å; K96-K104 VanDerWaalsContact O-CA 3.3Å; K96-K104 WeakPolarHBondContact O-CA 3.29Å; I97-K104 HydrophobicContact CG1-CG 4.45Å; K104-H120 PolarHBondContact O-CE1 2.92Å; K104-H120 PolarHBondContact O-NE2 3.2Å; K104-H120 VanDerWaalsContact O-NE2 3.1Å
105	G	92.9	Very high	96.3	Very high	5 Å²	5	71.2 Å²	71.2	5%	0.052	33%	0.334	C	S	.	.			trans	96.4	15.2	177.9	0	0	0	0	0	114.5	A93 K96 A107 H120	A93-G105 CarbonylContact O-C 3.45Å; A93-G105 WeakPolarHBondContact O-CA 3.39Å; A93-G105 PolarHBondContact O-N 2.77Å; K96-G105 PolarHBondContact O-N 3.45Å; G105-A107 PolarHBondContact O-N 3.12Å; G105-H120 VanDerWaalsContact C-NE2 3.25Å; G105-H120 PolarHBondContact O-CD2 3.4Å; G105-H120 PolarHBondContact O-NE2 3.29Å
106	A	95.4	Very high	96.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.34	C	S	.	.			trans	-79.6	89.1	-176.6	0	0	0	0	0	111.7	A93 K96 C98 I108 N118	A93-A106 PolarHBondContact O-N 3.46Å; K96-A106 HydrophobicContact CB-CB 4.24Å; K96-A106 VanDerWaalsContact CB-O 3.3Å; K96-A106 WeakPolarHBondContact CB-O 3.24Å; K96-A106 PolarHBondContact O-N 3.14Å; K96-A106 VanDerWaalsContact O-N 3.16Å; C98-A106 HydrophobicContact CB-CB 3.95Å; A106-I108 PolarHBondContact O-N 3.03Å; A106-N118 HydrophobicContact CB-CB 3.73Å
107	A	96	Very high	96.5	Very high	5 Å²	5	69 Å²	69	4%	0.041	34%	0.335	C	S	.	.			trans	-71.6	-23.3	-175.2	0	0	0	0	0	114.6	L35 S66 R92 A93 G105	L35-A107 HydrophobicContact CB-CB 4.42Å; L35-A107 HydrophobicContact CD2-CB 4.42Å; S66-A107 PolarHBondContact N-O 2.88Å; R92-A107 PolarHBondContact NH2-O 3.43Å; A93-A107 HydrophobicContact CB-CB 3.7Å; G105-A107 PolarHBondContact O-N 3.12Å
108	I	97.4	Very high	96.5	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.2	-175.7	-53.3	179.5	0	0	0	109.3	L64 S66 A106 N118 F119 L121 S139	L64-I108 HydrophobicContact CB-CD1 3.76Å; L64-I108 HydrophobicContact CB-CG1 4.33Å; L64-I108 HydrophobicContact CD1-CD1 4.34Å; S66-I108 WeakPolarHBondContact OG-CA 3.18Å; A106-I108 PolarHBondContact O-N 3.03Å; I108-N118 CarbonylContact O-C 3.59Å; I108-N118 WeakPolarHBondContact O-CA 3.15Å; I108-F119 HydrophobicContact CB-CD2 4.22Å; I108-F119 HydrophobicContact CB-CE2 4.04Å; I108-F119 HydrophobicContact CB-CZ 4.36Å; I108-F119 WeakPolarHBondContact CB-O 3.4Å; I108-F119 HydrophobicContact CD1-CE2 4.49Å; I108-F119 HydrophobicContact CG2-CD2 4.3Å; I108-F119 HydrophobicContact CG2-CE1 4.23Å; I108-F119 HydrophobicContact CG2-CE2 3.63Å; I108-F119 HydrophobicContact CG2-CZ 3.61Å; I108-F119 PolarHBondContact N-O 3.19Å; I108-F119 PolarHBondContact O-N 3.34Å; I108-L121 HydrophobicContact CD1-CB 3.7Å; I108-L121 HydrophobicContact CD1-CD1 4.07Å; I108-L121 HydrophobicContact CD1-CG 4.43Å; I108-S139 WeakPolarHBondContact CG2-OG 3.45Å
109	N	97.2	Very high	96.5	Very high	38 Å²	38	65.6 Å²	65.6	20%	0.203	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	163.7	168.5	70.8	-89.8	0	0	0	112.3	S66 Q111 R117 N118	S66-N109 WeakPolarHBondContact CB-OD1 3.44Å; S66-N109 PolarHBondContact OG-N 3.44Å; S66-N109 PolarHBondContact OG-OD1 3.31Å; S66-N109 VanDerWaalsContact OG-OD1 3.05Å; N109-Q111 PolarHBondContact ND2-OE1 2.79Å; N109-Q111 PolarHBondContact O-NE2 2.91Å; N109-Q111 PolarHBondContact O-OE1 2.84Å; N109-R117 WeakPolarHBondContact CA-O 3.16Å; N109-N118 WeakPolarHBondContact CB-OD1 3.4Å
110	C	98.3	Very high	96.5	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.014	31%	0.313	C	S	.	.			trans	-75.4	133.5	168.7	-172.8	0	0	0	0	109.3	K112 C115 R117 S139 C141 H144	C110-K112 VanDerWaalsContact C-N 3.3Å; C110-K112 PolarHBondContact O-N 2.98Å; C110-C115 HydrophobicContact CB-CB 3.94Å; C110-C115 VanDerWaalsContact CB-SG 3.57Å; C110-R117 HydrophobicContact CB-CB 4.45Å; C110-R117 PolarHBondContact N-O 2.85Å; C110-S139 CarbonylContact C-O 3.58Å; C110-S139 WeakPolarHBondContact CA-O 3.38Å; C110-C141 HydrophobicContact CB-CB 4.17Å; C110-C141 PolarHBondContact SG-N 3.32Å; C110-H144 PolarHBondContact SG-ND1 3.44Å; C110-H144 VanDerWaalsContact SG-ND1 3.43Å
111	Q	96.8	Very high	96.5	Very high	57 Å²	57	62.4 Å²	62.4	27%	0.266	30%	0.3	S	S	.	.			trans	-90.9	6.2	-174.9	-89.2	53.5	-59.6	0	0	112.7	N109 K138 S139 F140	N109-Q111 PolarHBondContact ND2-OE1 2.79Å; N109-Q111 PolarHBondContact O-NE2 2.91Å; N109-Q111 PolarHBondContact O-OE1 2.84Å; Q111-K138 HydrophobicContact CB-CB 4.24Å; Q111-K138 HydrophobicContact CB-CG 4.45Å; Q111-K138 HydrophobicContact CG-CB 4.14Å; Q111-K138 HydrophobicContact CG-CG 4.17Å; Q111-S139 PolarHBondContact N-O 3.16Å; Q111-F140 HydrophobicContact CB-CE1 4.21Å
112	K	97.5	Very high	96.4	Very high	108 Å²	108	60.5 Å²	60.5	47%	0.47	29%	0.287	S	S	.	.	S	Bend	trans	-76.8	132.8	171.6	179.9	61.3	176.5	174.7	0	108.8	C110 Q114 C115 H144	C110-K112 VanDerWaalsContact C-N 3.3Å; C110-K112 PolarHBondContact O-N 2.98Å; K112-Q114 PolarHBondContact O-N 3.27Å; K112-C115 HydrophobicContact CB-CB 4.18Å; K112-C115 WeakPolarHBondContact O-CB 3.37Å; K112-C115 PolarHBondContact O-N 2.95Å; K112-H144 HydrophobicContact CB-CB 3.84Å; K112-H144 WeakPolarHBondContact CB-ND1 3.27Å; K112-H144 HydrophobicContact CG-CB 4.25Å
113	D	95.5	Very high	96.4	Very high	130 Å²	130	53.6 Å²	53.6	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	137.6	177.4	-55.5	-38.2	0	0	0	111.8	C115	D113-C115 PolarHBondContact O-N 3.05Å
114	Q	95.5	Very high	96.4	Very high	195 Å²	195	46.6 Å²	46.6	91%	0.911	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	0.5	-179.4	-50.7	175.6	-4.8	0	0	115.3	K112 L116	K112-Q114 PolarHBondContact O-N 3.27Å; Q114-L116 PolarHBondContact O-N 3.01Å
115	C	97.8	Very high	96.4	Very high	20 Å²	20	43.3 Å²	43.3	14%	0.135	21%	0.214	C	C	.	.			trans	-79.9	114.3	175.8	-166.4	0	0	0	0	111.6	C110 K112 D113 R117 H144	C110-C115 HydrophobicContact CB-CB 3.94Å; C110-C115 VanDerWaalsContact CB-SG 3.57Å; K112-C115 HydrophobicContact CB-CB 4.18Å; K112-C115 WeakPolarHBondContact O-CB 3.37Å; K112-C115 PolarHBondContact O-N 2.95Å; D113-C115 PolarHBondContact O-N 3.05Å; C115-R117 VanDerWaalsContact C-N 3.32Å; C115-R117 PolarHBondContact O-N 2.94Å; C115-H144 PolarHBondContact SG-CE1 3.47Å; C115-H144 PolarHBondContact SG-ND1 3.45Å; C115-H144 VanDerWaalsContact SG-ND1 3.39Å
116	L	96.3	Very high	96.4	Very high	155 Å²	155	49.3 Å²	49.3	81%	0.812	24%	0.241	S	C	*	.			trans	-90.9	11.1	-179.5	-55.8	-179.6	0	0	0	114	Q114 N118	Q114-L116 PolarHBondContact O-N 3.01Å; L116-N118 PolarHBondContact O-N 3.01Å; L116-N118 PolarHBondContact O-ND2 3.46Å
117	R	97.9	Very high	96.3	Very high	67 Å²	67	56.2 Å²	56.2	25%	0.253	27%	0.266	S	S	.	.			trans	-75	125.4	-177.6	-71.4	-178.7	172.3	-164.8	-8.9	110.4	F99 N109 C110 C115 C141 D142 K143	F99-R117 HydrophobicContact CB-CG 4.46Å; F99-R117 HydrophobicContact CD1-CB 4.03Å; F99-R117 HydrophobicContact CD1-CG 4.44Å; F99-R117 HydrophobicContact CG-CB 4.4Å; F99-R117 HydrophobicContact CG-CG 4.35Å; N109-R117 WeakPolarHBondContact CA-O 3.16Å; C110-R117 HydrophobicContact CB-CB 4.45Å; C110-R117 PolarHBondContact N-O 2.85Å; C115-R117 VanDerWaalsContact C-N 3.32Å; C115-R117 PolarHBondContact O-N 2.94Å; R117-C141 HydrophobicContact CB-CB 4.24Å; R117-D142 IonicContact CZ-OD1 3.44Å; R117-D142 IonicContact NH1-OD1 2.69Å; R117-D142 PolarHBondContact NH1-OD1 2.89Å; R117-D142 IonicContact NH1-OD2 3.18Å; R117-K143 VanDerWaalsContact NH2-CE 3.35Å
118	N	97.8	Very high	96.2	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.4	172	-56.3	-99.4	0	0	0	108.8	K96 C98 F99 A106 I108 N109 L116	K96-N118 HydrophobicContact CB-CB 4.23Å; C98-N118 CarbonylContact C-O 3.5Å; C98-N118 VanDerWaalsContact CA-O 3.29Å; C98-N118 WeakPolarHBondContact CA-O 3.25Å; F99-N118 WeakPolarHBondContact CD1-O 3.49Å; F99-N118 PolarHBondContact N-O 2.88Å; A106-N118 HydrophobicContact CB-CB 3.73Å; I108-N118 CarbonylContact O-C 3.59Å; I108-N118 WeakPolarHBondContact O-CA 3.15Å; N109-N118 WeakPolarHBondContact CB-OD1 3.4Å; L116-N118 PolarHBondContact O-N 3.01Å; L116-N118 PolarHBondContact O-ND2 3.46Å
119	F	97.7	Very high	96.2	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157	177.2	51.5	-85.5	0	0	0	112.3	F99 I108 C129	F99-F119 HydrophobicContact CD1-CB 3.93Å; F99-F119 HydrophobicContact CD1-CD1 4.18Å; F99-F119 HydrophobicContact CD1-CG 4.49Å; F99-F119 HydrophobicContact CE1-CB 3.81Å; F99-F119 AromaticContact CE1-CD1 3.75Å; F99-F119 HydrophobicContact CE1-CD1 3.75Å; F99-F119 HydrophobicContact CE1-CG 4.05Å; I108-F119 HydrophobicContact CB-CD2 4.22Å; I108-F119 HydrophobicContact CB-CE2 4.04Å; I108-F119 HydrophobicContact CB-CZ 4.36Å; I108-F119 WeakPolarHBondContact CB-O 3.4Å; I108-F119 HydrophobicContact CD1-CE2 4.49Å; I108-F119 HydrophobicContact CG2-CD2 4.3Å; I108-F119 HydrophobicContact CG2-CE1 4.23Å; I108-F119 HydrophobicContact CG2-CE2 3.63Å; I108-F119 HydrophobicContact CG2-CZ 3.61Å; I108-F119 PolarHBondContact N-O 3.19Å; I108-F119 PolarHBondContact O-N 3.34Å; F119-C129 HydrophobicContact CD2-CB 4.45Å; F119-C129 HydrophobicContact CE1-CB 4.38Å; F119-C129 HydrophobicContact CE2-CB 3.96Å; F119-C129 HydrophobicContact CZ-CB 3.91Å
120	H	97.1	Very high	96.1	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.056	27%	0.269	C	S	.	.			trans	-75.2	144.5	160.8	-53.8	108.7	0	0	0	108.4	C36 C98 K104 G105 P122 C123 G124	C36-H120 HydrophobicContact CB-CB 4.34Å; C98-H120 WeakPolarHBondContact CB-ND1 3.49Å; K104-H120 PolarHBondContact O-CE1 2.92Å; K104-H120 PolarHBondContact O-NE2 3.2Å; K104-H120 VanDerWaalsContact O-NE2 3.1Å; G105-H120 VanDerWaalsContact C-NE2 3.25Å; G105-H120 PolarHBondContact O-CD2 3.4Å; G105-H120 PolarHBondContact O-NE2 3.29Å; H120-P122 HydrophobicContact CB-CG 4.33Å; H120-C123 HydrophobicContact CB-CB 4.08Å; H120-C123 WeakPolarHBondContact O-CB 3.44Å; H120-C123 PolarHBondContact O-N 3.23Å; H120-C123 VanDerWaalsContact O-N 3.12Å; H120-G124 PolarHBondContact O-N 2.98Å
121	L	96.1	Very high	96.1	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-45.9	-56	175.9	179.6	59.3	0	0	0	113.7	L46 F60 L64 I108 C123 G124 Q125	L46-L121 HydrophobicContact CD2-CD2 4.02Å; L46-L121 HydrophobicContact CD2-CG 4.23Å; F60-L121 HydrophobicContact CB-CD2 3.46Å; F60-L121 VanDerWaalsContact CB-CD2 3.46Å; L64-L121 HydrophobicContact CD1-CD1 3.57Å; L64-L121 HydrophobicContact CD1-CD2 4.16Å; L64-L121 HydrophobicContact CD1-CG 4.47Å; I108-L121 HydrophobicContact CD1-CB 3.7Å; I108-L121 HydrophobicContact CD1-CD1 4.07Å; I108-L121 HydrophobicContact CD1-CG 4.43Å; L121-C123 VanDerWaalsContact C-N 3.34Å; L121-C123 PolarHBondContact O-N 2.83Å; L121-G124 PolarHBondContact O-N 3.42Å; L121-G124 VanDerWaalsContact O-N 3.1Å; L121-Q125 HydrophobicContact CD1-CG 4.29Å; L121-Q125 WeakPolarHBondContact O-CG 3.36Å; L121-Q125 PolarHBondContact O-N 2.96Å
122	P	94.7	Very high	96.1	Very high	7 Å²	7	54.2 Å²	54.2	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-39.4	-179.2	21.8	-33.8	0	0	0	112.8	R38 L46 H120 G124 Q125 E126	R38-P122 HydrophobicContact CG-CG 4.4Å; L46-P122 HydrophobicContact CD2-CB 4.16Å; L46-P122 HydrophobicContact CD2-CG 4.37Å; H120-P122 HydrophobicContact CB-CG 4.33Å; P122-G124 VanDerWaalsContact C-N 3.3Å; P122-G124 PolarHBondContact O-N 3.01Å; P122-Q125 PolarHBondContact O-N 2.83Å; P122-E126 WeakPolarHBondContact O-CB 3.45Å; P122-E126 VanDerWaalsContact O-CG 3.22Å; P122-E126 WeakPolarHBondContact O-CG 3.28Å; P122-E126 PolarHBondContact O-N 3.37Å
123	C	95.9	Very high	96	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-37.2	175.7	-72.5	0	0	0	0	112.2	R38 V100 H120 L121 R127	R38-C123 PolarHBondContact NH2-SG 3.02Å; V100-C123 HydrophobicContact CB-CB 3.99Å; V100-C123 HydrophobicContact CG1-CB 4.31Å; V100-C123 HydrophobicContact CG2-CB 4.27Å; H120-C123 HydrophobicContact CB-CB 4.08Å; H120-C123 WeakPolarHBondContact O-CB 3.44Å; H120-C123 PolarHBondContact O-N 3.23Å; H120-C123 VanDerWaalsContact O-N 3.12Å; L121-C123 VanDerWaalsContact C-N 3.34Å; L121-C123 PolarHBondContact O-N 2.83Å; C123-R127 WeakPolarHBondContact O-CB 3.37Å; C123-R127 PolarHBondContact O-N 2.98Å; C123-R127 VanDerWaalsContact O-N 3.16Å
124	G	96	Very high	95.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-50.2	175.9	0	0	0	0	0	111	H120 L121 P122 E126 R127 G128 C129	H120-G124 PolarHBondContact O-N 2.98Å; L121-G124 PolarHBondContact O-N 3.42Å; L121-G124 VanDerWaalsContact O-N 3.1Å; P122-G124 VanDerWaalsContact C-N 3.3Å; P122-G124 PolarHBondContact O-N 3.01Å; G124-E126 PolarHBondContact O-N 3.49Å; G124-R127 CarbonylContact O-C 3.6Å; G124-R127 PolarHBondContact O-N 3.1Å; G124-G128 PolarHBondContact O-N 3.29Å; G124-C129 VanDerWaalsContact O-CB 3.28Å; G124-C129 WeakPolarHBondContact O-CB 3.42Å; G124-C129 PolarHBondContact O-N 2.79Å; G124-C129 PolarHBondContact O-SG 3.36Å
125	Q	93.5	Very high	95.8	Very high	74 Å²	74	41.4 Å²	41.4	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-57.1	-49.5	177.3	-70.9	170.8	-28.9	0	0	111.5	K45 L121 P122 R127 G128	K45-Q125 PolarHBondContact O-NE2 2.98Å; L121-Q125 HydrophobicContact CD1-CG 4.29Å; L121-Q125 WeakPolarHBondContact O-CG 3.36Å; L121-Q125 PolarHBondContact O-N 2.96Å; P122-Q125 PolarHBondContact O-N 2.83Å; Q125-R127 PolarHBondContact O-N 3.39Å; Q125-R127 VanDerWaalsContact O-N 3.15Å; Q125-G128 PolarHBondContact O-N 3.49Å
126	E	92.9	Very high	95.6	Very high	132 Å²	132	47.8 Å²	47.8	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-56.9	-29.7	176	-71.5	161.7	-164.3	0	0	112.7	R38 P122 G124	R38-E126 IonicContact CZ-OE1 3.63Å; R38-E126 IonicContact NH1-OE1 2.91Å; R38-E126 PolarHBondContact NH1-OE1 3.46Å; R38-E126 IonicContact NH2-OE1 3.35Å; R38-E126 PolarHBondContact NH2-OE1 3.15Å; R38-E126 IonicContact NH2-OE2 3.67Å; P122-E126 WeakPolarHBondContact O-CB 3.45Å; P122-E126 VanDerWaalsContact O-CG 3.22Å; P122-E126 WeakPolarHBondContact O-CG 3.28Å; P122-E126 PolarHBondContact O-N 3.37Å; G124-E126 PolarHBondContact O-N 3.49Å
127	R	94.6	Very high	95.5	Very high	144 Å²	144	43.8 Å²	43.8	54%	0.543	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	0	-179.4	-172.4	53.8	-172.8	172.5	4.7	113.7	F99 V100 C123 G124 Q125 D142	F99-R127 HydrophobicContact CE2-CG 3.91Å; F99-R127 HydrophobicContact CZ-CG 3.92Å; V100-R127 HydrophobicContact CG1-CB 4.18Å; V100-R127 HydrophobicContact CG2-CB 3.74Å; V100-R127 HydrophobicContact CG2-CG 3.9Å; C123-R127 WeakPolarHBondContact O-CB 3.37Å; C123-R127 PolarHBondContact O-N 2.98Å; C123-R127 VanDerWaalsContact O-N 3.16Å; G124-R127 CarbonylContact O-C 3.6Å; G124-R127 PolarHBondContact O-N 3.1Å; Q125-R127 PolarHBondContact O-N 3.39Å; Q125-R127 VanDerWaalsContact O-N 3.15Å; R127-D142 IonicContact CZ-OD2 3.48Å; R127-D142 IonicContact NE-OD2 2.79Å; R127-D142 PolarHBondContact NE-OD2 3.43Å; R127-D142 VanDerWaalsContact NE-OD2 3.13Å; R127-D142 IonicContact NH2-OD2 3.43Å; R127-D142 PolarHBondContact NH2-OD2 2.69Å
128	G	93.8	Very high	95.5	Very high	20 Å²	20	44.5 Å²	44.5	21%	0.206	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	16.9	-177.9	0	0	0	0	0	115	G124 Q125 R145	G124-G128 PolarHBondContact O-N 3.29Å; Q125-G128 PolarHBondContact O-N 3.49Å; G128-R145 WeakPolarHBondContact O-CD 3.11Å; G128-R145 PolarHBondContact O-NE 2.95Å
129	C	96.6	Very high	95.5	Very high	13 Å²	13	43.4 Å²	43.4	9%	0.088	22%	0.216	C	C	.	.			trans	-64.5	150.8	166.9	-55.6	0	0	0	0	110	F99 F119 G124 F140	F99-C129 VanDerWaalsContact CZ-SG 3.58Å; F119-C129 HydrophobicContact CD2-CB 4.45Å; F119-C129 HydrophobicContact CE1-CB 4.38Å; F119-C129 HydrophobicContact CE2-CB 3.96Å; F119-C129 HydrophobicContact CZ-CB 3.91Å; G124-C129 VanDerWaalsContact O-CB 3.28Å; G124-C129 WeakPolarHBondContact O-CB 3.42Å; G124-C129 PolarHBondContact O-N 2.79Å; G124-C129 PolarHBondContact O-SG 3.36Å; C129-F140 CarbonylContact C-O 3.52Å; C129-F140 WeakPolarHBondContact CA-O 3.26Å; C129-F140 VanDerWaalsContact CB-O 3.26Å; C129-F140 WeakPolarHBondContact CB-O 3.34Å
130	L	96.6	Very high	95.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.4	-178.5	-173.7	153.7	0	0	0	109.5	Q132 S139 F140 R145 P146 M220	L130-Q132 HydrophobicContact CD2-CG 3.62Å; L130-S139 CarbonylContact O-C 3.41Å; L130-S139 WeakPolarHBondContact O-CA 3.15Å; L130-F140 PolarHBondContact N-O 3.09Å; L130-F140 PolarHBondContact O-N 3.05Å; L130-R145 HydrophobicContact CB-CB 3.74Å; L130-P146 HydrophobicContact CD2-CG 4.32Å; L130-M220 HydrophobicContact CD1-CE 4.32Å; L130-M220 VanDerWaalsContact CD1-O 3.25Å; L130-M220 WeakPolarHBondContact CD1-O 3.35Å
131	S	97.6	Very high	95.5	Very high	11 Å²	11	44.3 Å²	44.3	8%	0.077	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.6	170.5	-58.3	0	0	0	0	109.2	L64 S139 G221	L64-S131 VanDerWaalsContact CD1-CB 3.47Å; S131-S139 WeakPolarHBondContact CB-OG 3.47Å; S131-S139 PolarHBondContact OG-OG 3.24Å; S131-G221 WeakPolarHBondContact O-CA 3.46Å
132	Q	97.1	Very high	95.5	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.079	23%	0.23	C	C	.	.			trans	-95.7	137	179.3	-69.6	-179.1	-35.2	0	0	109.3	L130 F134 Y137 K138 F140 R219	L130-Q132 HydrophobicContact CD2-CG 3.62Å; Q132-F134 HydrophobicContact CB-CD1 3.84Å; Q132-F134 HydrophobicContact CB-CE1 3.53Å; Q132-F134 HydrophobicContact CB-CZ 4.35Å; Q132-F134 VanDerWaalsContact CD-CE1 3.49Å; Q132-F134 HydrophobicContact CG-CD1 4.45Å; Q132-F134 HydrophobicContact CG-CE1 3.68Å; Q132-F134 HydrophobicContact CG-CZ 4.37Å; Q132-Y137 CarbonylContact O-C 3.59Å; Q132-Y137 VanDerWaalsContact O-CA 3.29Å; Q132-Y137 WeakPolarHBondContact O-CA 3.32Å; Q132-K138 WeakPolarHBondContact CB-O 3.38Å; Q132-K138 PolarHBondContact N-O 3.15Å; Q132-F140 HydrophobicContact CG-CE2 4.37Å; Q132-R219 PolarHBondContact NE2-O 3.45Å
133	F	95.4	Very high	95.5	Very high	22 Å²	22	53 Å²	53	10%	0.096	26%	0.259	C	S	.	.			trans	-107.4	35.8	-175.9	-62.2	-86.5	0	0	0	112.6	F60 I63 L64 H223	F60-F133 HydrophobicContact CB-CE1 4.12Å; F60-F133 HydrophobicContact CD1-CD1 4.34Å; F60-F133 AromaticContact CD1-CE1 3.71Å; F60-F133 HydrophobicContact CD1-CE1 3.71Å; F60-F133 AromaticContact CD2-CE1 3.95Å; F60-F133 HydrophobicContact CD2-CE1 3.95Å; F60-F133 HydrophobicContact CD2-CZ 4.03Å; F60-F133 HydrophobicContact CE1-CD1 4.49Å; F60-F133 HydrophobicContact CE1-CE1 4.07Å; F60-F133 HydrophobicContact CE2-CE1 4.31Å; F60-F133 HydrophobicContact CE2-CZ 4.3Å; F60-F133 AromaticContact CG-CE1 3.67Å; F60-F133 HydrophobicContact CG-CE1 3.67Å; F60-F133 HydrophobicContact CG-CZ 4.2Å; F60-F133 HydrophobicContact CZ-CE1 4.38Å; I63-F133 HydrophobicContact CD1-CD1 3.85Å; I63-F133 HydrophobicContact CD1-CE1 4.21Å; L64-F133 HydrophobicContact CD1-CE1 3.9Å; L64-F133 HydrophobicContact CD1-CZ 4.09Å; L64-F133 HydrophobicContact CD2-CD1 4.34Å; L64-F133 HydrophobicContact CD2-CE1 4.22Å; L64-F133 HydrophobicContact CG-CE1 4.24Å; F133-H223 HydrophobicContact CB-CB 4.22Å; F133-H223 HydrophobicContact CD1-CB 4.14Å; F133-H223 AromaticContact CD1-CD2 3.82Å; F133-H223 HydrophobicContact CD2-CB 3.66Å; F133-H223 HydrophobicContact CE1-CB 4.41Å; F133-H223 HydrophobicContact CE2-CB 3.96Å; F133-H223 HydrophobicContact CG-CB 3.75Å; F133-H223 AromaticContact CG-CD2 3.82Å; F133-H223 HydrophobicContact CZ-CB 4.33Å
134	F	94	Very high	95.6	Very high	83 Å²	83	56 Å²	56	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-142.8	159.9	179	70.4	-83.9	0	0	0	110	Q132 E136 Y137 L218	Q132-F134 HydrophobicContact CB-CD1 3.84Å; Q132-F134 HydrophobicContact CB-CE1 3.53Å; Q132-F134 HydrophobicContact CB-CZ 4.35Å; Q132-F134 VanDerWaalsContact CD-CE1 3.49Å; Q132-F134 HydrophobicContact CG-CD1 4.45Å; Q132-F134 HydrophobicContact CG-CE1 3.68Å; Q132-F134 HydrophobicContact CG-CZ 4.37Å; F134-E136 PolarHBondContact O-N 3.06Å; F134-Y137 PolarHBondContact O-N 2.6Å; F134-Y137 VanDerWaalsContact O-N 3.09Å; F134-L218 HydrophobicContact CB-CD2 4.44Å; F134-L218 HydrophobicContact CD1-CB 3.83Å; F134-L218 HydrophobicContact CE1-CB 4.34Å; F134-L218 VanDerWaalsContact CE1-O 3.32Å; F134-L218 WeakPolarHBondContact CE1-O 3.3Å; F134-L218 HydrophobicContact CG-CB 4.37Å
135	G	93	Very high	95.6	Very high	59 Å²	59	58 Å²	58	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-124.8	-179.7	0	0	0	0	0	111.8	Y137	G135-Y137 WeakPolarHBondContact O-CD2 3.29Å; G135-Y137 WeakPolarHBondContact O-CE2 3.4Å; G135-Y137 PolarHBondContact O-N 3.04Å
136	E	92.5	Very high	95.6	Very high	154 Å²	154	55.6 Å²	55.6	72%	0.72	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	13.4	-179.3	-59.4	174.7	177.2	0	0	114.6	F134 K138	F134-E136 PolarHBondContact O-N 3.06Å; E136-K138 HydrophobicContact CB-CG 4.3Å; E136-K138 PolarHBondContact O-N 3.49Å; E136-K138 WeakPolarHBondContact OE2-CE 3.17Å; E136-K138 IonicContact OE2-NZ 3.69Å; E136-K138 PolarHBondContact OE2-NZ 3.46Å
137	Y	95.1	Very high	95.6	Very high	72 Å²	72	53.9 Å²	53.9	28%	0.282	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	45.8	176.5	-63.2	-78.7	0	0	0	114	I63 L64 Q132 F134 G135	I63-Y137 HydrophobicContact CB-CD1 4.21Å; I63-Y137 HydrophobicContact CB-CE1 4.3Å; I63-Y137 HydrophobicContact CB-CG 4.41Å; I63-Y137 HydrophobicContact CD1-CD1 4.17Å; I63-Y137 HydrophobicContact CD1-CE1 4Å; I63-Y137 HydrophobicContact CG1-CD1 4.11Å; I63-Y137 HydrophobicContact CG1-CE1 4.33Å; I63-Y137 WeakPolarHBondContact O-CB 3.16Å; L64-Y137 HydrophobicContact CD2-CD1 4.48Å; Q132-Y137 CarbonylContact O-C 3.59Å; Q132-Y137 VanDerWaalsContact O-CA 3.29Å; Q132-Y137 WeakPolarHBondContact O-CA 3.32Å; F134-Y137 PolarHBondContact O-N 2.6Å; F134-Y137 VanDerWaalsContact O-N 3.09Å; G135-Y137 WeakPolarHBondContact O-CD2 3.29Å; G135-Y137 WeakPolarHBondContact O-CE2 3.4Å; G135-Y137 PolarHBondContact O-N 3.04Å
138	K	96.8	Very high	95.3	Very high	82 Å²	82	48.6 Å²	48.6	36%	0.357	25%	0.251	S	S	.	.			trans	-67.3	140.6	-173.5	-63.7	-178.4	179.9	175.2	0	112.1	Q111 Q132 E136 F140	Q111-K138 HydrophobicContact CB-CB 4.24Å; Q111-K138 HydrophobicContact CB-CG 4.45Å; Q111-K138 HydrophobicContact CG-CB 4.14Å; Q111-K138 HydrophobicContact CG-CG 4.17Å; Q132-K138 WeakPolarHBondContact CB-O 3.38Å; Q132-K138 PolarHBondContact N-O 3.15Å; E136-K138 HydrophobicContact CB-CG 4.3Å; E136-K138 PolarHBondContact O-N 3.49Å; E136-K138 WeakPolarHBondContact OE2-CE 3.17Å; E136-K138 IonicContact OE2-NZ 3.69Å; E136-K138 PolarHBondContact OE2-NZ 3.46Å; K138-F140 HydrophobicContact CB-CE2 3.82Å; K138-F140 HydrophobicContact CB-CZ 3.92Å; K138-F140 HydrophobicContact CD-CZ 4.46Å
139	S	98.1	Very high	94.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.1	175.2	-62	0	0	0	0	111.7	I108 C110 Q111 L130 S131	I108-S139 WeakPolarHBondContact CG2-OG 3.45Å; C110-S139 CarbonylContact C-O 3.58Å; C110-S139 WeakPolarHBondContact CA-O 3.38Å; Q111-S139 PolarHBondContact N-O 3.16Å; L130-S139 CarbonylContact O-C 3.41Å; L130-S139 WeakPolarHBondContact O-CA 3.15Å; S131-S139 WeakPolarHBondContact CB-OG 3.47Å; S131-S139 PolarHBondContact OG-OG 3.24Å
140	F	98.2	Very high	93.5	Very high	31 Å²	31	54.6 Å²	54.6	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.8	-174.1	-58.1	-85	0	0	0	110.8	Q111 C129 L130 Q132 K138 H144 R145 P146	Q111-F140 HydrophobicContact CB-CE1 4.21Å; C129-F140 CarbonylContact C-O 3.52Å; C129-F140 WeakPolarHBondContact CA-O 3.26Å; C129-F140 VanDerWaalsContact CB-O 3.26Å; C129-F140 WeakPolarHBondContact CB-O 3.34Å; L130-F140 PolarHBondContact N-O 3.09Å; L130-F140 PolarHBondContact O-N 3.05Å; Q132-F140 HydrophobicContact CG-CE2 4.37Å; K138-F140 HydrophobicContact CB-CE2 3.82Å; K138-F140 HydrophobicContact CB-CZ 3.92Å; K138-F140 HydrophobicContact CD-CZ 4.46Å; F140-H144 HydrophobicContact CB-CB 4.48Å; F140-H144 WeakPolarHBondContact CB-O 3.47Å; F140-H144 HydrophobicContact CD1-CB 4.46Å; F140-H144 WeakPolarHBondContact CD1-O 3.15Å; F140-R145 HydrophobicContact CB-CB 4.32Å; F140-P146 HydrophobicContact CD2-CG 4.27Å; F140-P146 HydrophobicContact CE2-CG 4.37Å
141	C	97.7	Very high	91.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.306	C	S	.	.			trans	-69.5	168.9	174.9	75.2	0	0	0	0	111.9	F99 C110 R117 K143 H144 R145	F99-C141 HydrophobicContact CE1-CB 4.35Å; F99-C141 HydrophobicContact CZ-CB 4.41Å; C110-C141 HydrophobicContact CB-CB 4.17Å; C110-C141 PolarHBondContact SG-N 3.32Å; R117-C141 HydrophobicContact CB-CB 4.24Å; C141-K143 PolarHBondContact O-N 2.81Å; C141-H144 CarbonylContact O-C 3.59Å; C141-H144 PolarHBondContact O-N 2.81Å; C141-R145 PolarHBondContact O-N 3.25Å
142	D	94.9	Very high	90.1	Very high	42 Å²	42	65.6 Å²	65.6	23%	0.225	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-34.1	176.2	61.2	-17.7	0	0	0	114.2	R117 R127	R117-D142 IonicContact CZ-OD1 3.44Å; R117-D142 IonicContact NH1-OD1 2.69Å; R117-D142 PolarHBondContact NH1-OD1 2.89Å; R117-D142 IonicContact NH1-OD2 3.18Å; R127-D142 IonicContact CZ-OD2 3.48Å; R127-D142 IonicContact NE-OD2 2.79Å; R127-D142 PolarHBondContact NE-OD2 3.43Å; R127-D142 VanDerWaalsContact NE-OD2 3.13Å; R127-D142 IonicContact NH2-OD2 3.43Å; R127-D142 PolarHBondContact NH2-OD2 2.69Å
143	K	96.1	Very high	87.8	Confident	150 Å²	150	67 Å²	67	65%	0.652	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.4	178.2	-67.1	-174.4	172.8	-167.7	0	115.7	R117 C141	R117-K143 VanDerWaalsContact NH2-CE 3.35Å; C141-K143 PolarHBondContact O-N 2.81Å
144	H	97.3	Very high	85.4	Confident	68 Å²	68	74.8 Å²	74.8	32%	0.315	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	4.2	-171.2	-60	143.5	0	0	0	112.9	C110 K112 C115 F140 C141	C110-H144 PolarHBondContact SG-ND1 3.44Å; C110-H144 VanDerWaalsContact SG-ND1 3.43Å; K112-H144 HydrophobicContact CB-CB 3.84Å; K112-H144 WeakPolarHBondContact CB-ND1 3.27Å; K112-H144 HydrophobicContact CG-CB 4.25Å; C115-H144 PolarHBondContact SG-CE1 3.47Å; C115-H144 PolarHBondContact SG-ND1 3.45Å; C115-H144 VanDerWaalsContact SG-ND1 3.39Å; F140-H144 HydrophobicContact CB-CB 4.48Å; F140-H144 WeakPolarHBondContact CB-O 3.47Å; F140-H144 HydrophobicContact CD1-CB 4.46Å; F140-H144 WeakPolarHBondContact CD1-O 3.15Å; C141-H144 CarbonylContact O-C 3.59Å; C141-H144 PolarHBondContact O-N 2.81Å
145	R	95.2	Very high	82.9	Confident	41 Å²	41	78.1 Å²	78.1	16%	0.155	41%	0.409	C	S	.	.			trans	-61.5	142.9	176.8	70.5	-177	-54.7	-78.9	11.5	110.1	G128 L130 F140 C141	G128-R145 WeakPolarHBondContact O-CD 3.11Å; G128-R145 PolarHBondContact O-NE 2.95Å; L130-R145 HydrophobicContact CB-CB 3.74Å; F140-R145 HydrophobicContact CB-CB 4.32Å; C141-R145 PolarHBondContact O-N 3.25Å
146	P	94.4	Very high	80.8	Confident	24 Å²	24	77.6 Å²	77.6	16%	0.156	40%	0.404	C	S	.	.			trans	-54.8	145.5	165.1	-22.1	31.5	0	0	0	111.3	L130 F140 M220	L130-P146 HydrophobicContact CD2-CG 4.32Å; F140-P146 HydrophobicContact CD2-CG 4.27Å; F140-P146 HydrophobicContact CE2-CG 4.37Å; P146-M220 HydrophobicContact CB-SD 4.2Å
147	T	92	Very high	79.3	Confident	97 Å²	97	79 Å²	79	60%	0.595	41%	0.411	S	S	*	.			trans	-123.9	163.7	175.7	54.2	0	0	0	0	110.4	R219	T147-R219 PolarHBondContact O-NH1 2.72Å; T147-R219 PolarHBondContact O-NH2 3.21Å
148	Q	89.6	Confident	78.4	Confident	33 Å²	33	79.9 Å²	79.9	15%	0.154	42%	0.418	C	S	.	.			trans	-110.1	147.7	166.4	-70.5	-179.8	-56.1	0	0	107.9	I150 Q176 E216 M220	Q148-I150 HydrophobicContact CB-CD1 4.34Å; Q148-I150 HydrophobicContact CB-CG1 3.79Å; Q148-I150 PolarHBondContact O-N 2.78Å; Q148-Q176 PolarHBondContact NE2-O 3.06Å; Q148-E216 WeakPolarHBondContact CG-OE1 3.45Å; Q148-E216 PolarHBondContact NE2-OE1 3.45Å; Q148-M220 HydrophobicContact CG-CE 3.88Å; Q148-M220 HydrophobicContact CG-CG 3.93Å; Q148-M220 HydrophobicContact CG-SD 3.75Å
149	N	78.5	Confident	78	Confident	133 Å²	133	78.7 Å²	78.7	71%	0.711	42%	0.419	S	S	*	.			trans	-84	73.8	172.4	-169.3	12.5	0	0	0	109.5	Q151	N149-Q151 PolarHBondContact O-N 3.43Å
150	I	73.8	Confident	77.7	Confident	25 Å²	25	78.7 Å²	78.7	13%	0.128	42%	0.419	C	S	.	.			trans	-77	94.3	179.3	-52.1	-177.3	0	0	0	108	Q148 H152 Q176 I184	Q148-I150 HydrophobicContact CB-CD1 4.34Å; Q148-I150 HydrophobicContact CB-CG1 3.79Å; Q148-I150 PolarHBondContact O-N 2.78Å; I150-H152 PolarHBondContact O-N 2.94Å; I150-H152 PolarHBondContact O-ND1 2.7Å; I150-H152 VanDerWaalsContact O-ND1 3.15Å; I150-Q176 HydrophobicContact CD1-CB 4.27Å; I150-Q176 HydrophobicContact CG1-CB 4.04Å; I150-I184 HydrophobicContact CG2-CD1 3.51Å; I150-I184 HydrophobicContact CG2-CG1 4.34Å
151	Q	61.9	Low	77.3	Confident	131 Å²	131	80.7 Å²	80.7	61%	0.612	43%	0.431	S	S	*	.			trans	-69.4	110.2	169.7	-62.3	-173.2	23.8	0	0	107.7	N149 G153	N149-Q151 PolarHBondContact O-N 3.43Å; Q151-G153 PolarHBondContact O-N 3.06Å
152	H	59.9	Low	77.2	Confident	114 Å²	114	83.7 Å²	83.7	53%	0.528	45%	0.447	S	S	.	.			trans	-76.8	70.4	168.1	-62.6	69.9	0	0	0	107.1	I150 H154	I150-H152 PolarHBondContact O-N 2.94Å; I150-H152 PolarHBondContact O-ND1 2.7Å; I150-H152 VanDerWaalsContact O-ND1 3.15Å; H152-H154 PolarHBondContact O-N 2.92Å
153	G	49.2	Very low	77.2	Confident	47 Å²	47	83.8 Å²	83.8	49%	0.485	45%	0.45	S	S	.	.			trans	-81.5	110.6	-178	0	0	0	0	0	110	Q151	Q151-G153 PolarHBondContact O-N 3.06Å
154	H	45.4	Very low	77	Confident	184 Å²	184	81.5 Å²	81.5	85%	0.852	45%	0.452	S	S	*	.	S	Bend	trans	56.8	100.5	-178.9	-77.5	-85.1	0	0	0	115.1	H152 G156	H152-H154 PolarHBondContact O-N 2.92Å; H154-G156 PolarHBondContact O-N 2.91Å
155	V	41.8	Very low	76.8	Confident	153 Å²	153	84.4 Å²	84.4	93%	0.927	47%	0.465	S	S	*	.			trans	-54.4	78.1	170	-174.9	0	0	0	0	111.3
156	G	49.6	Very low	76.6	Confident	49 Å²	49	88.1 Å²	88.1	51%	0.505	49%	0.488	S	S	.	.	S	Bend	trans	-94.7	159.7	147.5	0	0	0	0	0	108.5	H154 E158	H154-G156 PolarHBondContact O-N 2.91Å; G156-E158 PolarHBondContact O-N 3.02Å
157	E	59.2	Low	76.3	Confident	184 Å²	184	88.3 Å²	88.3	86%	0.86	49%	0.488	S	S	*	.			trans	-61.3	80.5	177.1	-68.4	166.7	170	0	0	110.8	S159	E157-S159 PolarHBondContact O-N 3.14Å
158	E	76.3	Confident	75.8	Confident	90 Å²	90	85.4 Å²	85.4	42%	0.421	47%	0.472	S	S	.	.			trans	-74.3	115	173.6	-67.6	-171.7	164.8	0	0	108.8	G156 L167 I184	G156-E158 PolarHBondContact O-N 3.02Å; E158-L167 HydrophobicContact CB-CD1 3.7Å; E158-L167 WeakPolarHBondContact O-CD1 3.32Å; E158-L167 VanDerWaalsContact O-CG 3.3Å; E158-L167 WeakPolarHBondContact O-CG 3.17Å; E158-L167 PolarHBondContact O-N 3.43Å; E158-I184 WeakPolarHBondContact OE2-CD1 3.48Å
159	S	88.9	Confident	75.1	Confident	56 Å²	56	93.4 Å²	93.4	39%	0.392	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-101.2	148.7	175	55.6	0	0	0	0	110.5	E157 I161 E165	E157-S159 PolarHBondContact O-N 3.14Å; S159-I161 PolarHBondContact O-N 2.85Å; S159-E165 CarbonylContact C-O 3.52Å; S159-E165 WeakPolarHBondContact CA-O 2.88Å
160	C	92.8	Very high	74.8	Confident	0 Å²	0	93.3 Å²	93.3	0%	0	51%	0.505	C	S	.	.			trans	-69.2	120	173	176.9	0	0	0	0	109.6	L162 C163 C164 E165 L167 Y185 H186	C160-L162 PolarHBondContact O-N 2.99Å; C160-C163 PolarHBondContact O-N 3.47Å; C160-C164 VanDerWaalsContact O-CA 3.24Å; C160-C164 WeakPolarHBondContact O-CA 3.38Å; C160-C164 PolarHBondContact O-N 2.99Å; C160-E165 PolarHBondContact N-O 3.09Å; C160-L167 HydrophobicContact CB-CD2 3.83Å; C160-Y185 VanDerWaalsContact SG-CA 3.59Å; C160-H186 VanDerWaalsContact CB-CE1 3.46Å; C160-H186 WeakPolarHBondContact CB-CE1 3.48Å; C160-H186 WeakPolarHBondContact CB-ND1 3.28Å; C160-H186 PolarHBondContact SG-N 3.01Å
161	I	90.2	Very high	74.8	Confident	73 Å²	73	95.5 Å²	95.5	37%	0.374	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.5	-175.9	-51	170.2	0	0	0	113.4	S159 A183 Y185 Q206	S159-I161 PolarHBondContact O-N 2.85Å; I161-A183 HydrophobicContact CD1-CB 3.91Å; I161-Y185 HydrophobicContact CB-CE1 4.17Å; I161-Y185 HydrophobicContact CD1-CE1 4.41Å; I161-Q206 HydrophobicContact CD1-CG 3.69Å; I161-Q206 VanDerWaalsContact CG2-NE2 3.26Å
162	L	93.9	Very high	75.8	Confident	64 Å²	64	91.7 Å²	91.7	34%	0.335	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-31.9	179.9	-68.1	175.1	0	0	0	113.8	C160 Y185 C189 I190 P205	C160-L162 PolarHBondContact O-N 2.99Å; L162-Y185 HydrophobicContact CD1-CD1 4.02Å; L162-Y185 HydrophobicContact CG-CD1 3.89Å; L162-Y185 HydrophobicContact CG-CE1 4.29Å; L162-C189 HydrophobicContact CB-CB 3.9Å; L162-C189 HydrophobicContact CD1-CB 3.87Å; L162-I190 HydrophobicContact CD1-CD1 3.62Å; L162-I190 HydrophobicContact CD1-CG1 3.99Å; L162-P205 HydrophobicContact CD2-CB 4.05Å; L162-P205 HydrophobicContact CD2-CG 3.93Å
163	C	94.7	Very high	77.1	Confident	44 Å²	44	89.4 Å²	89.4	30%	0.297	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-7.1	-179.8	64.2	0	0	0	0	113.9	C160 E165 H186 C189	C160-C163 PolarHBondContact O-N 3.47Å; C163-E165 HydrophobicContact CB-CG 4.41Å; C163-E165 PolarHBondContact O-N 2.95Å; C163-H186 VanDerWaalsContact SG-CE1 3.52Å; C163-H186 PolarHBondContact SG-ND1 3.15Å; C163-C189 VanDerWaalsContact SG-SG 3.64Å
164	C	93.1	Very high	79.2	Confident	102 Å²	102	87.5 Å²	87.5	69%	0.689	48%	0.476	S	S	*	.			trans	58.6	21.2	-175.2	-53.4	0	0	0	0	114.4	C160	C160-C164 VanDerWaalsContact O-CA 3.24Å; C160-C164 WeakPolarHBondContact O-CA 3.38Å; C160-C164 PolarHBondContact O-N 2.99Å
165	E	93.4	Very high	81.4	Confident	128 Å²	128	78.8 Å²	78.8	60%	0.598	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-100.3	155.2	176	-61.9	175	-179.8	0	0	111.4	S159 C160 C163	S159-E165 CarbonylContact C-O 3.52Å; S159-E165 WeakPolarHBondContact CA-O 2.88Å; C160-E165 PolarHBondContact N-O 3.09Å; C163-E165 HydrophobicContact CB-CG 4.41Å; C163-E165 PolarHBondContact O-N 2.95Å
166	D	90.4	Very high	83.8	Confident	119 Å²	119	72.2 Å²	72.2	64%	0.636	40%	0.395	S	S	*	.	B	Isolated β-bridge	trans	-57.3	138.7	179	-63.9	-27.5	0	0	0	112.6	H186	D166-H186 PolarHBondContact O-CE1 2.96Å; D166-H186 PolarHBondContact O-NE2 2.85Å
167	L	88.2	Confident	85.9	Confident	28 Å²	28	70 Å²	70	15%	0.147	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.1	145.6	174.8	-68.2	169.6	0	0	0	111.3	E158 C160 I184	E158-L167 HydrophobicContact CB-CD1 3.7Å; E158-L167 WeakPolarHBondContact O-CD1 3.32Å; E158-L167 VanDerWaalsContact O-CG 3.3Å; E158-L167 WeakPolarHBondContact O-CG 3.17Å; E158-L167 PolarHBondContact O-N 3.43Å; C160-L167 HydrophobicContact CB-CD2 3.83Å; L167-I184 HydrophobicContact CD1-CB 3.55Å; L167-I184 HydrophobicContact CD1-CG2 3.57Å; L167-I184 HydrophobicContact CD2-CG2 3.95Å; L167-I184 HydrophobicContact CG-CG2 4.37Å
168	S	80.2	Confident	87.6	Confident	37 Å²	37	63.8 Å²	63.8	26%	0.259	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.6	147.6	179.4	77.1	0	0	0	0	110.5	Q170 E173 N174	S168-Q170 PolarHBondContact O-N 2.94Å; S168-Q170 VanDerWaalsContact O-N 3.15Å; S168-Q170 PolarHBondContact OG-N 3.29Å; S168-Q170 PolarHBondContact OG-O 3.35Å; S168-E173 WeakPolarHBondContact OG-CB 3.4Å; S168-N174 PolarHBondContact N-OD1 2.89Å; S168-N174 PolarHBondContact O-ND2 3.19Å; S168-N174 PolarHBondContact OG-OD1 3.04Å
169	Q	76.3	Confident	88.3	Confident	201 Å²	201	61 Å²	61	94%	0.939	34%	0.337	S	S	*	.	S	Bend	trans	-66.8	-11.5	171.7	-65.6	-169.4	-23.9	0	0	113
170	Q	71.1	Confident	88.1	Confident	131 Å²	131	59.7 Å²	59.7	61%	0.612	33%	0.328	S	S	*	.	S	Bend	trans	-95.1	113.3	-178.6	-64.4	-175.4	17.2	0	0	110.3	S168 V172 E173	S168-Q170 PolarHBondContact O-N 2.94Å; S168-Q170 VanDerWaalsContact O-N 3.15Å; S168-Q170 PolarHBondContact OG-N 3.29Å; S168-Q170 PolarHBondContact OG-O 3.35Å; Q170-V172 HydrophobicContact CB-CG2 4.3Å; Q170-V172 PolarHBondContact O-N 3.44Å; Q170-E173 PolarHBondContact O-N 3.47Å; Q170-E173 VanDerWaalsContact O-N 3.09Å
171	S	75	Confident	87.4	Confident	70 Å²	70	65.6 Å²	65.6	49%	0.49	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.8	-178.8	62.8	0	0	0	0	115.1
172	V	82.7	Confident	87	Confident	51 Å²	51	67.1 Å²	67.1	31%	0.309	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.9	-180	-61.9	0	0	0	0	114.1	Q170 N174	Q170-V172 HydrophobicContact CB-CG2 4.3Å; Q170-V172 PolarHBondContact O-N 3.44Å; V172-N174 VanDerWaalsContact C-N 3.34Å
173	E	87.3	Confident	86.8	Confident	66 Å²	66	64.8 Å²	64.8	31%	0.308	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.4	178.2	-65.5	-63.9	122.3	0	0	111.8	S168 Q170 R187 K188	S168-E173 WeakPolarHBondContact OG-CB 3.4Å; Q170-E173 PolarHBondContact O-N 3.47Å; Q170-E173 VanDerWaalsContact O-N 3.09Å; E173-R187 VanDerWaalsContact O-CB 3.27Å; E173-R187 WeakPolarHBondContact O-CB 3.41Å; E173-R187 PolarHBondContact O-N 2.88Å; E173-K188 VanDerWaalsContact OE2-CE 3.27Å; E173-K188 WeakPolarHBondContact OE2-CE 3.44Å; E173-K188 IonicContact OE2-NZ 3.63Å; E173-K188 PolarHBondContact OE2-NZ 3.26Å; E173-K188 VanDerWaalsContact OE2-NZ 3.14Å
174	N	91.8	Very high	86.6	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.043	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	156.4	177.4	-58	-12.5	0	0	0	110.3	S168 V172 I184 Y185	S168-N174 PolarHBondContact N-OD1 2.89Å; S168-N174 PolarHBondContact O-ND2 3.19Å; S168-N174 PolarHBondContact OG-OD1 3.04Å; V172-N174 VanDerWaalsContact C-N 3.34Å; N174-I184 HydrophobicContact CB-CG2 3.75Å; N174-Y185 CarbonylContact C-O 3.44Å; N174-Y185 VanDerWaalsContact CA-O 3.29Å; N174-Y185 WeakPolarHBondContact CA-O 3.38Å
175	I	92.9	Very high	86.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.1	176	-168.7	168.1	0	0	0	109.4	I184 Y185 I190 M217 M220 I222	I175-I184 WeakPolarHBondContact O-CA 3.4Å; I175-Y185 PolarHBondContact N-O 3.07Å; I175-Y185 PolarHBondContact O-N 3.11Å; I175-I190 HydrophobicContact CG2-CB 4.1Å; I175-I190 HydrophobicContact CG2-CG1 3.74Å; I175-I190 HydrophobicContact CG2-CG2 4.42Å; I175-M217 HydrophobicContact CD1-CE 3.85Å; I175-M217 HydrophobicContact CD1-SD 3.45Å; I175-M217 WeakPolarHBondContact CD1-SD 3.48Å; I175-M217 HydrophobicContact CG1-CE 3.96Å; I175-M217 HydrophobicContact CG1-SD 4Å; I175-M217 HydrophobicContact CG2-SD 4.42Å; I175-M220 HydrophobicContact CD1-CB 3.55Å; I175-M220 HydrophobicContact CD1-CG 4.23Å; I175-M220 HydrophobicContact CG1-CB 4.36Å; I175-I222 HydrophobicContact CD1-CD1 4.23Å; I175-I222 HydrophobicContact CD1-CG1 3.88Å
176	Q	92.7	Very high	86.7	Confident	15 Å²	15	53.4 Å²	53.4	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.9	-173.6	-166.3	173.3	37.2	0	0	111.6	Q148 I150 Q182 I184 M217	Q148-Q176 PolarHBondContact NE2-O 3.06Å; I150-Q176 HydrophobicContact CD1-CB 4.27Å; I150-Q176 HydrophobicContact CG1-CB 4.04Å; Q176-Q182 HydrophobicContact CG-CB 3.95Å; Q176-Q182 WeakPolarHBondContact CG-O 3.5Å; Q176-Q182 PolarHBondContact NE2-O 3.34Å; Q176-I184 HydrophobicContact CB-CG1 4.47Å; Q176-I184 HydrophobicContact CG-CG1 4.12Å; Q176-M217 WeakPolarHBondContact O-CE 3.24Å
177	S	93.8	Very high	86.9	Confident	2 Å²	2	50 Å²	50	1%	0.014	28%	0.275	C	S	.	.			trans	-65.8	131.8	169.7	-168.9	0	0	0	0	110.6	C179 Q182 A183	S177-C179 VanDerWaalsContact C-N 3.31Å; S177-C179 PolarHBondContact OG-SG 2.93Å; S177-Q182 WeakPolarHBondContact O-CA 3.45Å; S177-A183 WeakPolarHBondContact CB-O 3.48Å; S177-A183 PolarHBondContact N-O 3.42Å
178	P	93.1	Very high	87.2	Confident	53 Å²	53	55.1 Å²	55.1	34%	0.344	30%	0.296	S	S	.	.	S	Bend	trans	-78.2	-16.2	174.4	34.5	-38.2	0	0	0	113.3	E212 F213 E216	P178-E212 HydrophobicContact CG-CB 4.16Å; P178-F213 HydrophobicContact CG-CB 4.45Å; P178-E216 HydrophobicContact CB-CB 4.06Å; P178-E216 HydrophobicContact CB-CG 4.07Å; P178-E216 HydrophobicContact CG-CB 3.6Å; P178-E216 HydrophobicContact CG-CG 4Å
179	C	91.7	Very high	87.9	Confident	33 Å²	33	54.7 Å²	54.7	22%	0.223	29%	0.293	C	S	.	.	S	Bend	trans	-101.3	-86.8	-168.4	54.3	0	0	0	0	112.9	S177 C204 N209	S177-C179 VanDerWaalsContact C-N 3.31Å; S177-C179 PolarHBondContact OG-SG 2.93Å; C179-C204 VanDerWaalsContact SG-SG 3.6Å; C179-N209 HydrophobicContact CB-CB 4.11Å
180	C	84.8	Confident	88.8	Confident	28 Å²	28	45.1 Å²	45.1	19%	0.189	25%	0.248	C	C	.	.	S	Bend	trans	-89.9	137.7	-173.4	60	0	0	0	0	112.9	Q182 A183 C204 Q206 C207	C180-Q182 WeakPolarHBondContact O-CA 3.32Å; C180-Q182 PolarHBondContact O-N 2.82Å; C180-A183 PolarHBondContact O-N 3.38Å; C180-C204 PolarHBondContact SG-SG 3.38Å; C180-Q206 WeakPolarHBondContact SG-CB 2.99Å; C180-C207 HydrophobicContact CB-CB 3.62Å; C180-C207 PolarHBondContact SG-SG 2.74Å
181	S	78.1	Confident	90	Very high	124 Å²	124	40.4 Å²	40.4	87%	0.867	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	11.7	173.4	-50.6	0	0	0	0	115.8	A183	S181-A183 PolarHBondContact O-N 2.94Å
182	Q	82.1	Confident	91	Very high	105 Å²	105	43 Å²	43	49%	0.491	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.1	43.8	-167.1	-50.2	-176	-33.8	0	0	113.6	Q176 S177 C180	Q176-Q182 HydrophobicContact CG-CB 3.95Å; Q176-Q182 WeakPolarHBondContact CG-O 3.5Å; Q176-Q182 PolarHBondContact NE2-O 3.34Å; S177-Q182 WeakPolarHBondContact O-CA 3.45Å; C180-Q182 WeakPolarHBondContact O-CA 3.32Å; C180-Q182 PolarHBondContact O-N 2.82Å
183	A	89.1	Confident	91.7	Very high	14 Å²	14	42.5 Å²	42.5	12%	0.116	22%	0.221	C	C	.	.			trans	-56.2	139.6	-176.7	0	0	0	0	0	111.5	I161 S177 C180 S181 Y185 Q206	I161-A183 HydrophobicContact CD1-CB 3.91Å; S177-A183 WeakPolarHBondContact CB-O 3.48Å; S177-A183 PolarHBondContact N-O 3.42Å; C180-A183 PolarHBondContact O-N 3.38Å; S181-A183 PolarHBondContact O-N 2.94Å; A183-Y185 HydrophobicContact CB-CE2 4.2Å; A183-Y185 WeakPolarHBondContact O-CE2 3.47Å; A183-Q206 HydrophobicContact CB-CG 4.48Å
184	I	91.5	Very high	92.2	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.7	-178.5	-53.3	178.5	0	0	0	109.9	I150 E158 L167 N174 I175 Q176	I150-I184 HydrophobicContact CG2-CD1 3.51Å; I150-I184 HydrophobicContact CG2-CG1 4.34Å; E158-I184 WeakPolarHBondContact OE2-CD1 3.48Å; L167-I184 HydrophobicContact CD1-CB 3.55Å; L167-I184 HydrophobicContact CD1-CG2 3.57Å; L167-I184 HydrophobicContact CD2-CG2 3.95Å; L167-I184 HydrophobicContact CG-CG2 4.37Å; N174-I184 HydrophobicContact CB-CG2 3.75Å; I175-I184 WeakPolarHBondContact O-CA 3.4Å; Q176-I184 HydrophobicContact CB-CG1 4.47Å; Q176-I184 HydrophobicContact CG-CG1 4.12Å
185	Y	93.7	Very high	92.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	156	178.6	-49.1	-89.4	0	0	0	110.3	C160 I161 L162 N174 I175 A183 R187 I190 P205 Q206 F213	C160-Y185 VanDerWaalsContact SG-CA 3.59Å; I161-Y185 HydrophobicContact CB-CE1 4.17Å; I161-Y185 HydrophobicContact CD1-CE1 4.41Å; L162-Y185 HydrophobicContact CD1-CD1 4.02Å; L162-Y185 HydrophobicContact CG-CD1 3.89Å; L162-Y185 HydrophobicContact CG-CE1 4.29Å; N174-Y185 CarbonylContact C-O 3.44Å; N174-Y185 VanDerWaalsContact CA-O 3.29Å; N174-Y185 WeakPolarHBondContact CA-O 3.38Å; I175-Y185 PolarHBondContact N-O 3.07Å; I175-Y185 PolarHBondContact O-N 3.11Å; A183-Y185 HydrophobicContact CB-CE2 4.2Å; A183-Y185 WeakPolarHBondContact O-CE2 3.47Å; Y185-R187 PolarHBondContact O-N 2.96Å; Y185-I190 HydrophobicContact CD1-CD1 4.07Å; Y185-I190 HydrophobicContact CD1-CG1 4.49Å; Y185-I190 HydrophobicContact CD2-CD1 3.73Å; Y185-I190 HydrophobicContact CD2-CG1 4.04Å; Y185-I190 HydrophobicContact CE2-CD1 4.26Å; Y185-I190 HydrophobicContact CG-CD1 3.62Å; Y185-I190 HydrophobicContact CG-CG1 3.75Å; Y185-P205 HydrophobicContact CE1-CG 4.27Å; Y185-Q206 WeakPolarHBondContact OH-CG 3.37Å; Y185-F213 HydrophobicContact CE2-CE2 4.13Å
186	H	94.2	Very high	92.4	Very high	24 Å²	24	43.7 Å²	43.7	11%	0.111	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.3	161.4	-54.9	111.5	0	0	0	109.2	C160 C163 D166 K188 C189 I190	C160-H186 VanDerWaalsContact CB-CE1 3.46Å; C160-H186 WeakPolarHBondContact CB-CE1 3.48Å; C160-H186 WeakPolarHBondContact CB-ND1 3.28Å; C160-H186 PolarHBondContact SG-N 3.01Å; C163-H186 VanDerWaalsContact SG-CE1 3.52Å; C163-H186 PolarHBondContact SG-ND1 3.15Å; D166-H186 PolarHBondContact O-CE1 2.96Å; D166-H186 PolarHBondContact O-NE2 2.85Å; H186-K188 PolarHBondContact O-N 3.14Å; H186-C189 HydrophobicContact CB-CB 4.13Å; H186-C189 WeakPolarHBondContact O-CB 3.32Å; H186-C189 PolarHBondContact O-N 3.31Å; H186-C189 VanDerWaalsContact O-N 3.08Å; H186-I190 PolarHBondContact O-N 2.86Å
187	R	94.2	Very high	92.5	Very high	48 Å²	48	43.1 Å²	43.1	18%	0.181	23%	0.228	C	C	.	.	H	α-helix	trans	-53.9	-38.2	174.6	-174.5	-177.6	-177.9	79.2	6.8	111.7	E173 Y185 Q191 M220 G221 I222	E173-R187 VanDerWaalsContact O-CB 3.27Å; E173-R187 WeakPolarHBondContact O-CB 3.41Å; E173-R187 PolarHBondContact O-N 2.88Å; Y185-R187 PolarHBondContact O-N 2.96Å; R187-Q191 WeakPolarHBondContact O-CB 3.25Å; R187-Q191 PolarHBondContact O-N 2.85Å; R187-M220 PolarHBondContact NH1-O 3.15Å; R187-M220 PolarHBondContact NH2-O 2.89Å; R187-G221 VanDerWaalsContact NH2-C 3.26Å; R187-G221 PolarHBondContact NH2-O 3.4Å; R187-I222 HydrophobicContact CG-CD1 3.95Å
188	K	94	Very high	92.7	Very high	135 Å²	135	43 Å²	43	59%	0.587	23%	0.227	S	C	*	.	H	α-helix	trans	-66.4	-43.8	177.9	-67	174	-172.9	152.6	0	112	E173 H186 I190 Q191 K192	E173-K188 VanDerWaalsContact OE2-CE 3.27Å; E173-K188 WeakPolarHBondContact OE2-CE 3.44Å; E173-K188 IonicContact OE2-NZ 3.63Å; E173-K188 PolarHBondContact OE2-NZ 3.26Å; E173-K188 VanDerWaalsContact OE2-NZ 3.14Å; H186-K188 PolarHBondContact O-N 3.14Å; K188-I190 VanDerWaalsContact C-N 3.35Å; K188-I190 PolarHBondContact O-N 3.39Å; K188-Q191 PolarHBondContact O-N 2.93Å; K188-K192 PolarHBondContact O-N 3.18Å
189	C	95.9	Very high	92.7	Very high	29 Å²	29	46.1 Å²	46.1	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-44.8	177.4	-64.9	0	0	0	0	111.1	L162 C163 H186 K192 Y193	L162-C189 HydrophobicContact CB-CB 3.9Å; L162-C189 HydrophobicContact CD1-CB 3.87Å; C163-C189 VanDerWaalsContact SG-SG 3.64Å; H186-C189 HydrophobicContact CB-CB 4.13Å; H186-C189 WeakPolarHBondContact O-CB 3.32Å; H186-C189 PolarHBondContact O-N 3.31Å; H186-C189 VanDerWaalsContact O-N 3.08Å; C189-K192 PolarHBondContact O-N 3.41Å; C189-Y193 WeakPolarHBondContact O-CB 3.49Å; C189-Y193 PolarHBondContact O-N 2.84Å
190	I	96	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-40.2	175.5	-70	-74.7	0	0	0	112	L162 I175 Y185 H186 K188 K192 Y193 A194 F202 F213 M217 I222	L162-I190 HydrophobicContact CD1-CD1 3.62Å; L162-I190 HydrophobicContact CD1-CG1 3.99Å; I175-I190 HydrophobicContact CG2-CB 4.1Å; I175-I190 HydrophobicContact CG2-CG1 3.74Å; I175-I190 HydrophobicContact CG2-CG2 4.42Å; Y185-I190 HydrophobicContact CD1-CD1 4.07Å; Y185-I190 HydrophobicContact CD1-CG1 4.49Å; Y185-I190 HydrophobicContact CD2-CD1 3.73Å; Y185-I190 HydrophobicContact CD2-CG1 4.04Å; Y185-I190 HydrophobicContact CE2-CD1 4.26Å; Y185-I190 HydrophobicContact CG-CD1 3.62Å; Y185-I190 HydrophobicContact CG-CG1 3.75Å; H186-I190 PolarHBondContact O-N 2.86Å; K188-I190 VanDerWaalsContact C-N 3.35Å; K188-I190 PolarHBondContact O-N 3.39Å; I190-K192 VanDerWaalsContact C-N 3.33Å; I190-K192 PolarHBondContact O-N 3.48Å; I190-Y193 PolarHBondContact O-N 2.9Å; I190-A194 WeakPolarHBondContact O-CB 3.29Å; I190-A194 PolarHBondContact O-N 3.36Å; I190-F202 HydrophobicContact CG2-CZ 4.18Å; I190-F213 HydrophobicContact CD1-CZ 3.89Å; I190-M217 HydrophobicContact CG2-CG 4.28Å; I190-M217 HydrophobicContact CG2-SD 3.69Å; I190-I222 HydrophobicContact CB-CD1 4.44Å; I190-I222 HydrophobicContact CG2-CD1 3.86Å; I190-I222 HydrophobicContact CG2-CG1 3.8Å; I190-I222 HydrophobicContact CG2-CG2 4.11Å
191	Q	95.9	Very high	93.3	Very high	31 Å²	31	52.8 Å²	52.8	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-40.8	176.6	-176.2	58.1	78.2	0	0	111.9	R187 K188 A194 H195 I222 H223	R187-Q191 WeakPolarHBondContact O-CB 3.25Å; R187-Q191 PolarHBondContact O-N 2.85Å; K188-Q191 PolarHBondContact O-N 2.93Å; Q191-A194 PolarHBondContact O-N 3.35Å; Q191-H195 WeakPolarHBondContact O-CB 3.22Å; Q191-H195 PolarHBondContact O-N 2.91Å; Q191-I222 HydrophobicContact CB-CD1 4.32Å; Q191-H223 PolarHBondContact NE2-O 3.35Å
192	K	95.7	Very high	94.3	Very high	125 Å²	125	47.2 Å²	47.2	54%	0.543	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-46.9	174.9	-172.3	174.8	-178.1	180	0	111.2	K188 C189 I190 A194 H195 T196	K188-K192 PolarHBondContact O-N 3.18Å; C189-K192 PolarHBondContact O-N 3.41Å; I190-K192 VanDerWaalsContact C-N 3.33Å; I190-K192 PolarHBondContact O-N 3.48Å; K192-A194 VanDerWaalsContact C-N 3.33Å; K192-A194 PolarHBondContact O-N 2.9Å; K192-H195 WeakPolarHBondContact O-CB 3.38Å; K192-H195 PolarHBondContact O-N 3.25Å; K192-H195 VanDerWaalsContact O-N 3.07Å; K192-T196 PolarHBondContact O-N 3.49Å; K192-T196 PolarHBondContact O-OG1 3.08Å
193	Y	97	Very high	95	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.161	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-45	175	172.2	-124.8	0	0	0	112.1	C189 I190 H195 T196 S197 F201 F202 K203 P205	C189-Y193 WeakPolarHBondContact O-CB 3.49Å; C189-Y193 PolarHBondContact O-N 2.84Å; I190-Y193 PolarHBondContact O-N 2.9Å; Y193-H195 VanDerWaalsContact C-N 3.32Å; Y193-H195 PolarHBondContact O-N 2.75Å; Y193-T196 WeakPolarHBondContact CA-OG1 3.43Å; Y193-T196 PolarHBondContact O-N 3.06Å; Y193-T196 PolarHBondContact O-OG1 3.2Å; Y193-S197 WeakPolarHBondContact CD2-OG 3.18Å; Y193-S197 WeakPolarHBondContact CE2-OG 3.48Å; Y193-S197 WeakPolarHBondContact O-CB 3.28Å; Y193-S197 PolarHBondContact O-N 3.4Å; Y193-S197 PolarHBondContact O-OG 2.76Å; Y193-F201 PolarHBondContact OH-O 2.83Å; Y193-F202 AromaticContact CD1-CD2 3.59Å; Y193-F202 HydrophobicContact CD1-CD2 3.59Å; Y193-F202 AromaticContact CD1-CE2 3.28Å; Y193-F202 HydrophobicContact CD1-CE2 3.28Å; Y193-F202 HydrophobicContact CD1-CZ 4.36Å; Y193-F202 AromaticContact CE1-CD2 3.4Å; Y193-F202 HydrophobicContact CE1-CD2 3.4Å; Y193-F202 AromaticContact CE1-CE2 3.47Å; Y193-F202 HydrophobicContact CE1-CE2 3.47Å; Y193-F202 VanDerWaalsContact CE1-CE2 3.47Å; Y193-F202 HydrophobicContact CE1-CG 4.37Å; Y193-F202 HydrophobicContact CE1-CZ 4.46Å; Y193-F202 HydrophobicContact CG-CD2 4.31Å; Y193-F202 HydrophobicContact CG-CE2 4.16Å; Y193-K203 WeakPolarHBondContact CE1-O 3.27Å; Y193-K203 PolarHBondContact OH-N 3.39Å; Y193-K203 PolarHBondContact OH-O 3.32Å; Y193-P205 HydrophobicContact CD1-CG 4.06Å; Y193-P205 HydrophobicContact CE1-CG 3.79Å
194	A	97.3	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-42.2	173.8	0	0	0	0	0	112.5	I190 Q191 K192 A198 F202 I222 H223 I224 P225	I190-A194 WeakPolarHBondContact O-CB 3.29Å; I190-A194 PolarHBondContact O-N 3.36Å; Q191-A194 PolarHBondContact O-N 3.35Å; K192-A194 VanDerWaalsContact C-N 3.33Å; K192-A194 PolarHBondContact O-N 2.9Å; A194-A198 WeakPolarHBondContact O-CA 3.34Å; A194-A198 PolarHBondContact O-N 3.48Å; A194-F202 VanDerWaalsContact CA-CE2 3.43Å; A194-F202 HydrophobicContact CB-CD2 3.81Å; A194-F202 HydrophobicContact CB-CE2 3.44Å; A194-F202 VanDerWaalsContact CB-CE2 3.44Å; A194-F202 HydrophobicContact CB-CZ 3.93Å; A194-I222 HydrophobicContact CB-CG2 3.58Å; A194-H223 WeakPolarHBondContact CB-O 3.46Å; A194-I224 HydrophobicContact CB-CG1 4.12Å; A194-P225 WeakPolarHBondContact O-CD 3.3Å
195	H	94.2	Very high	95.5	Very high	54 Å²	54	45.5 Å²	45.5	25%	0.25	21%	0.21	C	C	.	.	H	α-helix	trans	-68.5	-35.5	-179.6	-164.2	69.4	0	0	0	113.1	Q191 K192 Y193 R227	Q191-H195 WeakPolarHBondContact O-CB 3.22Å; Q191-H195 PolarHBondContact O-N 2.91Å; K192-H195 WeakPolarHBondContact O-CB 3.38Å; K192-H195 PolarHBondContact O-N 3.25Å; K192-H195 VanDerWaalsContact O-N 3.07Å; Y193-H195 VanDerWaalsContact C-N 3.32Å; Y193-H195 PolarHBondContact O-N 2.75Å; H195-R227 PolarHBondContact CD2-NH2 3.47Å; H195-R227 PolarHBondContact CE1-NH2 3Å; H195-R227 PolarHBondContact ND1-NH2 3.4Å; H195-R227 PolarHBondContact NE2-NH2 3.25Å; H195-R227 PolarHBondContact O-NH2 3.4Å
196	T	95	Very high	95.5	Very high	46 Å²	46	50.1 Å²	50.1	28%	0.282	23%	0.232	S	C	.	.	H	α-helix	trans	-77.5	-42.2	178.1	51.8	0	0	0	0	112.6	K192 Y193 A229 A230	K192-T196 PolarHBondContact O-N 3.49Å; K192-T196 PolarHBondContact O-OG1 3.08Å; Y193-T196 WeakPolarHBondContact CA-OG1 3.43Å; Y193-T196 PolarHBondContact O-N 3.06Å; Y193-T196 PolarHBondContact O-OG1 3.2Å; T196-A229 CarbonylContact O-C 3.53Å; T196-A229 WeakPolarHBondContact O-CA 3.47Å; T196-A230 PolarHBondContact O-N 3.29Å
197	S	96.2	Very high	95.5	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-86.4	-18.7	-175.3	-59.5	0	0	0	0	113.9	Y193 F201 W231	Y193-S197 WeakPolarHBondContact CD2-OG 3.18Å; Y193-S197 WeakPolarHBondContact CE2-OG 3.48Å; Y193-S197 WeakPolarHBondContact O-CB 3.28Å; Y193-S197 PolarHBondContact O-N 3.4Å; Y193-S197 PolarHBondContact O-OG 2.76Å; S197-F201 WeakPolarHBondContact O-CB 3.16Å; S197-F201 PolarHBondContact O-N 3.23Å; S197-W231 VanDerWaalsContact OG-CH2 3.31Å; S197-W231 WeakPolarHBondContact OG-CH2 3.42Å; S197-W231 WeakPolarHBondContact OG-CZ3 3.26Å
198	A	96.1	Very high	95.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	51.5	-172	-176.8	0	0	0	0	0	112.9	A194 H200 F202 P225 R227	A194-A198 WeakPolarHBondContact O-CA 3.34Å; A194-A198 PolarHBondContact O-N 3.48Å; A198-H200 VanDerWaalsContact C-N 3.32Å; A198-H200 PolarHBondContact O-N 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.38Å; A198-F202 PolarHBondContact O-N 2.84Å; A198-F202 VanDerWaalsContact O-N 3.09Å; A198-P225 WeakPolarHBondContact CA-O 3.44Å; A198-P225 HydrophobicContact CB-CG 4.21Å; A198-P225 WeakPolarHBondContact CB-O 3.06Å; A198-R227 HydrophobicContact CB-CG 4.06Å; A198-R227 WeakPolarHBondContact CB-O 3.48Å
199	K	94.3	Very high	95.7	Very high	118 Å²	118	49 Å²	49	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-38	-172	-171.1	-176.5	-176.6	-173.5	0	113.9	I224 P225 D226	K199-I224 HydrophobicContact CB-CG2 4.32Å; K199-P225 PolarHBondContact N-O 3.2Å; K199-D226 HydrophobicContact CD-CB 4.22Å; K199-D226 VanDerWaalsContact CD-CG 3.45Å; K199-D226 VanDerWaalsContact CD-OD1 3.28Å; K199-D226 WeakPolarHBondContact CD-OD1 3.43Å; K199-D226 WeakPolarHBondContact CD-OD2 3.46Å; K199-D226 IonicContact NZ-OD1 3.48Å; K199-D226 IonicContact NZ-OD2 3.49Å; K199-D226 PolarHBondContact NZ-OD2 2.92Å
200	H	93.6	Very high	95.7	Very high	120 Å²	120	55.8 Å²	55.8	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-77.2	-31.3	-171.2	-65.9	-72.1	0	0	0	114	A198	A198-H200 VanDerWaalsContact C-N 3.32Å; A198-H200 PolarHBondContact O-N 3.28Å
201	F	96.2	Very high	95.7	Very high	80 Å²	80	63.6 Å²	63.6	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-110.7	-3.2	-177.8	-58.5	-87.4	0	0	0	114	Y193 S197 K203 A229 W231 E232	Y193-F201 PolarHBondContact OH-O 2.83Å; S197-F201 WeakPolarHBondContact O-CB 3.16Å; S197-F201 PolarHBondContact O-N 3.23Å; F201-K203 PolarHBondContact O-N 3.33Å; F201-A229 HydrophobicContact CD2-CB 3.76Å; F201-A229 HydrophobicContact CE2-CB 4.12Å; F201-W231 HydrophobicContact CB-CH2 3.96Å; F201-W231 HydrophobicContact CB-CZ2 3.83Å; F201-W231 HydrophobicContact CD1-CZ2 4.24Å; F201-W231 HydrophobicContact CD2-CZ2 4Å; F201-W231 HydrophobicContact CG-CH2 4.41Å; F201-W231 AromaticContact CG-CZ2 3.77Å; F201-W231 HydrophobicContact CG-CZ2 3.77Å; F201-E232 WeakPolarHBondContact CE2-OE1 3.36Å; F201-E232 WeakPolarHBondContact CE2-OE2 3.32Å; F201-E232 WeakPolarHBondContact CZ-OE1 3.28Å
202	F	97.6	Very high	95.7	Very high	7 Å²	7	67.1 Å²	67.1	3%	0.031	31%	0.313	C	S	.	.			trans	-74.4	114.6	177.2	-171.7	-104.8	0	0	0	112	I190 Y193 A194 A198 F213 P214 M217 I222 I224	I190-F202 HydrophobicContact CG2-CZ 4.18Å; Y193-F202 AromaticContact CD1-CD2 3.59Å; Y193-F202 HydrophobicContact CD1-CD2 3.59Å; Y193-F202 AromaticContact CD1-CE2 3.28Å; Y193-F202 HydrophobicContact CD1-CE2 3.28Å; Y193-F202 HydrophobicContact CD1-CZ 4.36Å; Y193-F202 AromaticContact CE1-CD2 3.4Å; Y193-F202 HydrophobicContact CE1-CD2 3.4Å; Y193-F202 AromaticContact CE1-CE2 3.47Å; Y193-F202 HydrophobicContact CE1-CE2 3.47Å; Y193-F202 VanDerWaalsContact CE1-CE2 3.47Å; Y193-F202 HydrophobicContact CE1-CG 4.37Å; Y193-F202 HydrophobicContact CE1-CZ 4.46Å; Y193-F202 HydrophobicContact CG-CD2 4.31Å; Y193-F202 HydrophobicContact CG-CE2 4.16Å; A194-F202 VanDerWaalsContact CA-CE2 3.43Å; A194-F202 HydrophobicContact CB-CD2 3.81Å; A194-F202 HydrophobicContact CB-CE2 3.44Å; A194-F202 VanDerWaalsContact CB-CE2 3.44Å; A194-F202 HydrophobicContact CB-CZ 3.93Å; A198-F202 WeakPolarHBondContact O-CB 3.38Å; A198-F202 PolarHBondContact O-N 2.84Å; A198-F202 VanDerWaalsContact O-N 3.09Å; F202-F213 HydrophobicContact CD1-CE1 4.43Å; F202-F213 HydrophobicContact CE1-CD1 4.09Å; F202-F213 AromaticContact CE1-CE1 3.74Å; F202-F213 HydrophobicContact CE1-CE1 3.74Å; F202-F213 HydrophobicContact CE2-CE1 4.26Å; F202-F213 HydrophobicContact CZ-CD1 4.46Å; F202-F213 AromaticContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CZ 4.44Å; F202-P214 HydrophobicContact CD1-CB 4.1Å; F202-P214 HydrophobicContact CD1-CG 4.14Å; F202-P214 HydrophobicContact CE1-CB 4.45Å; F202-P214 WeakPolarHBondContact O-CG 3.43Å; F202-M217 HydrophobicContact CE1-CB 3.8Å; F202-M217 HydrophobicContact CE1-CG 3.77Å; F202-M217 HydrophobicContact CZ-CB 4.01Å; F202-M217 HydrophobicContact CZ-CG 3.77Å; F202-I222 HydrophobicContact CZ-CG2 4.47Å; F202-I224 HydrophobicContact CB-CG2 4.14Å; F202-I224 HydrophobicContact CD1-CD1 3.38Å; F202-I224 HydrophobicContact CD1-CG1 3.97Å; F202-I224 HydrophobicContact CD1-CG2 4.43Å; F202-I224 HydrophobicContact CE1-CD1 3.47Å; F202-I224 VanDerWaalsContact CE1-CD1 3.47Å; F202-I224 HydrophobicContact CE1-CG1 3.98Å; F202-I224 HydrophobicContact CG-CD1 4.27Å; F202-I224 HydrophobicContact CG-CG1 4.47Å; F202-I224 HydrophobicContact CG-CG2 4.37Å; F202-I224 HydrophobicContact CZ-CD1 4.41Å
203	K	97.1	Very high	95.7	Very high	55 Å²	55	61.1 Å²	61.1	24%	0.239	29%	0.287	C	S	.	.			trans	-149.6	170.6	-176.6	59.9	-171.8	169.4	161.4	0	109.4	Y193 F201 P205 N208 N209 R210 F213	Y193-K203 WeakPolarHBondContact CE1-O 3.27Å; Y193-K203 PolarHBondContact OH-N 3.39Å; Y193-K203 PolarHBondContact OH-O 3.32Å; F201-K203 PolarHBondContact O-N 3.33Å; K203-P205 VanDerWaalsContact O-CD 3.28Å; K203-P205 WeakPolarHBondContact O-CD 3.4Å; K203-N208 HydrophobicContact CD-CB 4.11Å; K203-N208 VanDerWaalsContact CD-OD1 3.3Å; K203-N208 WeakPolarHBondContact CD-OD1 3.24Å; K203-N208 WeakPolarHBondContact CE-OD1 3.43Å; K203-N208 PolarHBondContact NZ-OD1 2.8Å; K203-N209 WeakPolarHBondContact CA-O 3.01Å; K203-R210 HydrophobicContact CB-CG 3.95Å; K203-F213 VanDerWaalsContact C-CD1 3.46Å; K203-F213 WeakPolarHBondContact O-CE1 3.37Å
204	C	97.1	Very high	95.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.			trans	-58.4	124.4	175.3	-174.4	0	0	0	0	110.3	C179 C180 Q206 N208 N209 F213	C179-C204 VanDerWaalsContact SG-SG 3.6Å; C180-C204 PolarHBondContact SG-SG 3.38Å; C204-Q206 PolarHBondContact O-N 3.19Å; C204-Q206 VanDerWaalsContact O-N 3.08Å; C204-N208 VanDerWaalsContact O-CA 3.26Å; C204-N208 WeakPolarHBondContact O-CA 3.31Å; C204-N208 PolarHBondContact O-N 3.47Å; C204-N209 HydrophobicContact CB-CB 3.99Å; C204-N209 PolarHBondContact N-O 2.98Å; C204-F213 HydrophobicContact CB-CB 3.85Å; C204-F213 HydrophobicContact CB-CD1 4.2Å; C204-F213 HydrophobicContact CB-CD2 3.73Å; C204-F213 HydrophobicContact CB-CE2 4.3Å; C204-F213 HydrophobicContact CB-CG 3.66Å; C204-F213 VanDerWaalsContact N-CD1 3.33Å
205	P	94.9	Very high	95.6	Very high	39 Å²	39	66.3 Å²	66.3	25%	0.253	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.8	178.8	-25.7	34.8	0	0	0	114.4	L162 Y185 Y193 K203 F213	L162-P205 HydrophobicContact CD2-CB 4.05Å; L162-P205 HydrophobicContact CD2-CG 3.93Å; Y185-P205 HydrophobicContact CE1-CG 4.27Å; Y193-P205 HydrophobicContact CD1-CG 4.06Å; Y193-P205 HydrophobicContact CE1-CG 3.79Å; K203-P205 VanDerWaalsContact O-CD 3.28Å; K203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-F213 VanDerWaalsContact CD-CZ 3.48Å; P205-F213 HydrophobicContact CG-CZ 4.43Å
206	Q	92.8	Very high	95.7	Very high	98 Å²	98	65.3 Å²	65.3	46%	0.458	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-53.9	-174.5	-69.2	-63.6	-72	0	0	112.7	I161 C180 A183 Y185 C204	I161-Q206 HydrophobicContact CD1-CG 3.69Å; I161-Q206 VanDerWaalsContact CG2-NE2 3.26Å; C180-Q206 WeakPolarHBondContact SG-CB 2.99Å; A183-Q206 HydrophobicContact CB-CG 4.48Å; Y185-Q206 WeakPolarHBondContact OH-CG 3.37Å; C204-Q206 PolarHBondContact O-N 3.19Å; C204-Q206 VanDerWaalsContact O-N 3.08Å
207	C	95.1	Very high	95.9	Very high	58 Å²	58	63.1 Å²	63.1	39%	0.392	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	7.8	-177	72.1	0	0	0	0	114.7	C180 N209	C180-C207 HydrophobicContact CB-CB 3.62Å; C180-C207 PolarHBondContact SG-SG 2.74Å; C207-N209 PolarHBondContact O-N 2.86Å; C207-N209 VanDerWaalsContact SG-CB 3.52Å
208	N	95.4	Very high	95.9	Very high	87 Å²	87	64.9 Å²	64.9	47%	0.465	31%	0.305	S	S	.	.			trans	58.3	15.6	-176.6	-69.5	-59.2	0	0	0	115.5	K203 C204 R210	K203-N208 HydrophobicContact CD-CB 4.11Å; K203-N208 VanDerWaalsContact CD-OD1 3.3Å; K203-N208 WeakPolarHBondContact CD-OD1 3.24Å; K203-N208 WeakPolarHBondContact CE-OD1 3.43Å; K203-N208 PolarHBondContact NZ-OD1 2.8Å; C204-N208 VanDerWaalsContact O-CA 3.26Å; C204-N208 WeakPolarHBondContact O-CA 3.31Å; C204-N208 PolarHBondContact O-N 3.47Å; N208-R210 VanDerWaalsContact O-CG 3.29Å; N208-R210 WeakPolarHBondContact O-CG 3.38Å; N208-R210 PolarHBondContact O-N 2.71Å
209	N	96.7	Very high	95.9	Very high	38 Å²	38	68.8 Å²	68.8	20%	0.203	32%	0.32	C	S	.	.			trans	-56.5	123.7	175.9	-179.9	-63	0	0	0	110.8	C179 K203 C204 C207 K211 E212 F213	C179-N209 HydrophobicContact CB-CB 4.11Å; K203-N209 WeakPolarHBondContact CA-O 3.01Å; C204-N209 HydrophobicContact CB-CB 3.99Å; C204-N209 PolarHBondContact N-O 2.98Å; C207-N209 PolarHBondContact O-N 2.86Å; C207-N209 VanDerWaalsContact SG-CB 3.52Å; N209-K211 PolarHBondContact OD1-N 3.05Å; N209-E212 PolarHBondContact ND2-OE2 2.94Å; N209-E212 PolarHBondContact OD1-N 3.31Å; N209-F213 HydrophobicContact CB-CB 4.44Å; N209-F213 PolarHBondContact OD1-N 3.26Å; N209-F213 VanDerWaalsContact OD1-N 3.13Å
210	R	96	Very high	96	Very high	172 Å²	172	63.5 Å²	63.5	65%	0.649	30%	0.297	S	S	*	.	S	Bend	trans	-105.5	4.5	-176.4	-53.8	-167.3	-178.1	-165.3	2.5	114.2	K203 N208	K203-R210 HydrophobicContact CB-CG 3.95Å; N208-R210 VanDerWaalsContact O-CG 3.29Å; N208-R210 WeakPolarHBondContact O-CG 3.38Å; N208-R210 PolarHBondContact O-N 2.71Å
211	K	95.6	Very high	96.1	Very high	164 Å²	164	58 Å²	58	71%	0.713	27%	0.272	S	S	*	.	S	Bend	trans	-116.3	-73.6	-174.9	-67.6	-174.4	178.6	-177.8	0	111.3	N209 F213 P214 Q215	N209-K211 PolarHBondContact OD1-N 3.05Å; K211-F213 PolarHBondContact O-N 2.91Å; K211-P214 WeakPolarHBondContact O-CD 3.34Å; K211-Q215 WeakPolarHBondContact O-CB 3.33Å; K211-Q215 WeakPolarHBondContact O-CG 3.43Å; K211-Q215 PolarHBondContact O-N 3.44Å
212	E	95.6	Very high	96.2	Very high	104 Å²	104	54.1 Å²	54.1	49%	0.486	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-43.3	-176.1	-63.7	168.9	174	0	0	111.6	P178 N209 Q215 E216	P178-E212 HydrophobicContact CG-CB 4.16Å; N209-E212 PolarHBondContact ND2-OE2 2.94Å; N209-E212 PolarHBondContact OD1-N 3.31Å; E212-Q215 PolarHBondContact O-N 3.43Å; E212-E216 WeakPolarHBondContact O-CB 3.37Å; E212-E216 PolarHBondContact O-N 3Å
213	F	96.3	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-55.9	-177.4	178.1	-85.6	0	0	0	111.9	P178 Y185 I190 F202 K203 C204 P205 N209 K211 Q215 E216 M217	P178-F213 HydrophobicContact CG-CB 4.45Å; Y185-F213 HydrophobicContact CE2-CE2 4.13Å; I190-F213 HydrophobicContact CD1-CZ 3.89Å; F202-F213 HydrophobicContact CD1-CE1 4.43Å; F202-F213 HydrophobicContact CE1-CD1 4.09Å; F202-F213 AromaticContact CE1-CE1 3.74Å; F202-F213 HydrophobicContact CE1-CE1 3.74Å; F202-F213 HydrophobicContact CE2-CE1 4.26Å; F202-F213 HydrophobicContact CZ-CD1 4.46Å; F202-F213 AromaticContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CZ 4.44Å; K203-F213 VanDerWaalsContact C-CD1 3.46Å; K203-F213 WeakPolarHBondContact O-CE1 3.37Å; C204-F213 HydrophobicContact CB-CB 3.85Å; C204-F213 HydrophobicContact CB-CD1 4.2Å; C204-F213 HydrophobicContact CB-CD2 3.73Å; C204-F213 HydrophobicContact CB-CE2 4.3Å; C204-F213 HydrophobicContact CB-CG 3.66Å; C204-F213 VanDerWaalsContact N-CD1 3.33Å; P205-F213 VanDerWaalsContact CD-CZ 3.48Å; P205-F213 HydrophobicContact CG-CZ 4.43Å; N209-F213 HydrophobicContact CB-CB 4.44Å; N209-F213 PolarHBondContact OD1-N 3.26Å; N209-F213 VanDerWaalsContact OD1-N 3.13Å; K211-F213 PolarHBondContact O-N 2.91Å; F213-Q215 VanDerWaalsContact C-N 3.32Å; F213-Q215 PolarHBondContact O-N 2.96Å; F213-E216 PolarHBondContact O-N 3.26Å; F213-M217 HydrophobicContact CD1-CG 4.05Å; F213-M217 HydrophobicContact CD2-CE 4.31Å; F213-M217 HydrophobicContact CE1-CG 3.76Å; F213-M217 HydrophobicContact CE1-SD 4.49Å; F213-M217 HydrophobicContact CE2-CE 4.13Å; F213-M217 HydrophobicContact CE2-CG 4.33Å; F213-M217 HydrophobicContact CE2-SD 4.19Å; F213-M217 HydrophobicContact CG-CG 4.47Å; F213-M217 HydrophobicContact CZ-CG 3.92Å; F213-M217 HydrophobicContact CZ-SD 4.04Å; F213-M217 VanDerWaalsContact O-CG 3.26Å; F213-M217 WeakPolarHBondContact O-CG 3.06Å; F213-M217 PolarHBondContact O-N 2.73Å
214	P	96.9	Very high	96.1	Very high	19 Å²	19	53.5 Å²	53.5	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-41.5	176.2	-27.6	37.1	0	0	0	114	F202 K211 E216 M217 L218 I224	F202-P214 HydrophobicContact CD1-CB 4.1Å; F202-P214 HydrophobicContact CD1-CG 4.14Å; F202-P214 HydrophobicContact CE1-CB 4.45Å; F202-P214 WeakPolarHBondContact O-CG 3.43Å; K211-P214 WeakPolarHBondContact O-CD 3.34Å; P214-E216 PolarHBondContact O-N 3.09Å; P214-M217 PolarHBondContact O-N 3.5Å; P214-L218 WeakPolarHBondContact O-CG 3.3Å; P214-L218 PolarHBondContact O-N 2.69Å; P214-I224 HydrophobicContact CB-CD1 4.32Å
215	Q	96.2	Very high	95.9	Very high	131 Å²	131	54 Å²	54	61%	0.612	26%	0.258	S	S	*	.	H	α-helix	trans	-60.2	-44.7	178.5	-74.5	173.5	0.3	0	0	112	K211 E212 F213 L218 R219	K211-Q215 WeakPolarHBondContact O-CB 3.33Å; K211-Q215 WeakPolarHBondContact O-CG 3.43Å; K211-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 PolarHBondContact O-N 3.43Å; F213-Q215 VanDerWaalsContact C-N 3.32Å; F213-Q215 PolarHBondContact O-N 2.96Å; Q215-L218 PolarHBondContact O-N 3.02Å; Q215-R219 WeakPolarHBondContact O-CB 3.49Å; Q215-R219 PolarHBondContact O-N 3.31Å
216	E	96.5	Very high	95.8	Very high	32 Å²	32	56.4 Å²	56.4	15%	0.15	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-40.7	178.2	-179.1	61.2	-173.1	0	0	111.9	Q148 P178 E212 F213 P214 L218 R219 M220	Q148-E216 WeakPolarHBondContact CG-OE1 3.45Å; Q148-E216 PolarHBondContact NE2-OE1 3.45Å; P178-E216 HydrophobicContact CB-CB 4.06Å; P178-E216 HydrophobicContact CB-CG 4.07Å; P178-E216 HydrophobicContact CG-CB 3.6Å; P178-E216 HydrophobicContact CG-CG 4Å; E212-E216 WeakPolarHBondContact O-CB 3.37Å; E212-E216 PolarHBondContact O-N 3Å; F213-E216 PolarHBondContact O-N 3.26Å; P214-E216 PolarHBondContact O-N 3.09Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.77Å; E216-R219 WeakPolarHBondContact O-CB 3.22Å; E216-R219 PolarHBondContact O-N 2.91Å; E216-R219 IonicContact OE1-CZ 2.68Å; E216-R219 IonicContact OE1-NE 3.33Å; E216-R219 PolarHBondContact OE1-NE 2.85Å; E216-R219 IonicContact OE1-NH2 3.24Å; E216-R219 PolarHBondContact OE1-NH2 3.03Å; E216-R219 IonicContact OE2-CZ 3.62Å; E216-R219 IonicContact OE2-NE 2.75Å; E216-R219 PolarHBondContact OE2-NE 3.07Å; E216-R219 IonicContact OE2-NH2 2.63Å; E216-R219 PolarHBondContact OE2-NH2 3.28Å; E216-M220 HydrophobicContact CG-CG 4.47Å; E216-M220 WeakPolarHBondContact O-CB 3.39Å; E216-M220 WeakPolarHBondContact O-CG 3.45Å; E216-M220 PolarHBondContact O-N 2.84Å
217	M	97.1	Very high	95.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-43.5	176.6	-63.8	-53.5	104	0	0	110.8	I175 Q176 I190 F202 F213 P214 M220 G221 I222	I175-M217 HydrophobicContact CD1-CE 3.85Å; I175-M217 HydrophobicContact CD1-SD 3.45Å; I175-M217 WeakPolarHBondContact CD1-SD 3.48Å; I175-M217 HydrophobicContact CG1-CE 3.96Å; I175-M217 HydrophobicContact CG1-SD 4Å; I175-M217 HydrophobicContact CG2-SD 4.42Å; Q176-M217 WeakPolarHBondContact O-CE 3.24Å; I190-M217 HydrophobicContact CG2-CG 4.28Å; I190-M217 HydrophobicContact CG2-SD 3.69Å; F202-M217 HydrophobicContact CE1-CB 3.8Å; F202-M217 HydrophobicContact CE1-CG 3.77Å; F202-M217 HydrophobicContact CZ-CB 4.01Å; F202-M217 HydrophobicContact CZ-CG 3.77Å; F213-M217 HydrophobicContact CD1-CG 4.05Å; F213-M217 HydrophobicContact CD2-CE 4.31Å; F213-M217 HydrophobicContact CE1-CG 3.76Å; F213-M217 HydrophobicContact CE1-SD 4.49Å; F213-M217 HydrophobicContact CE2-CE 4.13Å; F213-M217 HydrophobicContact CE2-CG 4.33Å; F213-M217 HydrophobicContact CE2-SD 4.19Å; F213-M217 HydrophobicContact CG-CG 4.47Å; F213-M217 HydrophobicContact CZ-CG 3.92Å; F213-M217 HydrophobicContact CZ-SD 4.04Å; F213-M217 VanDerWaalsContact O-CG 3.26Å; F213-M217 WeakPolarHBondContact O-CG 3.06Å; F213-M217 PolarHBondContact O-N 2.73Å; P214-M217 PolarHBondContact O-N 3.5Å; M217-M220 CarbonylContact O-C 3.44Å; M217-M220 PolarHBondContact O-N 3.44Å; M217-G221 PolarHBondContact O-N 3.19Å; M217-G221 VanDerWaalsContact O-N 3.14Å; M217-I222 HydrophobicContact CB-CB 3.98Å; M217-I222 HydrophobicContact CB-CG1 3.99Å; M217-I222 HydrophobicContact CB-CG2 4.45Å; M217-I222 VanDerWaalsContact O-CB 3.28Å; M217-I222 WeakPolarHBondContact O-CB 3.35Å; M217-I222 WeakPolarHBondContact O-CG1 3.21Å; M217-I222 PolarHBondContact O-N 3.08Å; M217-I222 HydrophobicContact SD-CG1 4.42Å
218	L	96.7	Very high	95.7	Very high	41 Å²	41	57.8 Å²	57.8	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-48.1	173.5	-73.3	170.2	0	0	0	112	F134 P214 Q215 E216 M220 G221 I224	F134-L218 HydrophobicContact CB-CD2 4.44Å; F134-L218 HydrophobicContact CD1-CB 3.83Å; F134-L218 HydrophobicContact CE1-CB 4.34Å; F134-L218 VanDerWaalsContact CE1-O 3.32Å; F134-L218 WeakPolarHBondContact CE1-O 3.3Å; F134-L218 HydrophobicContact CG-CB 4.37Å; P214-L218 WeakPolarHBondContact O-CG 3.3Å; P214-L218 PolarHBondContact O-N 2.69Å; Q215-L218 PolarHBondContact O-N 3.02Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.77Å; L218-M220 PolarHBondContact O-N 2.83Å; L218-G221 WeakPolarHBondContact O-CA 3.47Å; L218-G221 PolarHBondContact O-N 3.27Å; L218-I224 HydrophobicContact CD1-CD1 4.23Å; L218-I224 HydrophobicContact CD2-CB 4.3Å; L218-I224 HydrophobicContact CD2-CD1 3.8Å; L218-I224 HydrophobicContact CD2-CG1 3.99Å; L218-I224 HydrophobicContact CG-CD1 3.68Å; L218-I224 HydrophobicContact CG-CG1 4.4Å
219	R	96.5	Very high	95.7	Very high	82 Å²	82	53.6 Å²	53.6	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-55.4	-40.5	176.7	-170	-172	73.2	87.7	-0.6	111.1	Q132 T147 Q215 E216 G221	Q132-R219 PolarHBondContact NE2-O 3.45Å; T147-R219 PolarHBondContact O-NH1 2.72Å; T147-R219 PolarHBondContact O-NH2 3.21Å; Q215-R219 WeakPolarHBondContact O-CB 3.49Å; Q215-R219 PolarHBondContact O-N 3.31Å; E216-R219 WeakPolarHBondContact O-CB 3.22Å; E216-R219 PolarHBondContact O-N 2.91Å; E216-R219 IonicContact OE1-CZ 2.68Å; E216-R219 IonicContact OE1-NE 3.33Å; E216-R219 PolarHBondContact OE1-NE 2.85Å; E216-R219 IonicContact OE1-NH2 3.24Å; E216-R219 PolarHBondContact OE1-NH2 3.03Å; E216-R219 IonicContact OE2-CZ 3.62Å; E216-R219 IonicContact OE2-NE 2.75Å; E216-R219 PolarHBondContact OE2-NE 3.07Å; E216-R219 IonicContact OE2-NH2 2.63Å; E216-R219 PolarHBondContact OE2-NH2 3.28Å; R219-G221 PolarHBondContact O-N 2.74Å
220	M	96.2	Very high	95.5	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.034	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	7.2	178.4	-67.5	-54.5	-64.8	0	0	113.6	L130 P146 Q148 I175 R187 E216 M217 L218	L130-M220 HydrophobicContact CD1-CE 4.32Å; L130-M220 VanDerWaalsContact CD1-O 3.25Å; L130-M220 WeakPolarHBondContact CD1-O 3.35Å; P146-M220 HydrophobicContact CB-SD 4.2Å; Q148-M220 HydrophobicContact CG-CE 3.88Å; Q148-M220 HydrophobicContact CG-CG 3.93Å; Q148-M220 HydrophobicContact CG-SD 3.75Å; I175-M220 HydrophobicContact CD1-CB 3.55Å; I175-M220 HydrophobicContact CD1-CG 4.23Å; I175-M220 HydrophobicContact CG1-CB 4.36Å; R187-M220 PolarHBondContact NH1-O 3.15Å; R187-M220 PolarHBondContact NH2-O 2.89Å; E216-M220 HydrophobicContact CG-CG 4.47Å; E216-M220 WeakPolarHBondContact O-CB 3.39Å; E216-M220 WeakPolarHBondContact O-CG 3.45Å; E216-M220 PolarHBondContact O-N 2.84Å; M217-M220 CarbonylContact O-C 3.44Å; M217-M220 PolarHBondContact O-N 3.44Å; L218-M220 PolarHBondContact O-N 2.83Å
221	G	96.3	Very high	95.3	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	27.4	170.3	0	0	0	0	0	114.9	S131 R187 M217 L218 R219	S131-G221 WeakPolarHBondContact O-CA 3.46Å; R187-G221 VanDerWaalsContact NH2-C 3.26Å; R187-G221 PolarHBondContact NH2-O 3.4Å; M217-G221 PolarHBondContact O-N 3.19Å; M217-G221 VanDerWaalsContact O-N 3.14Å; L218-G221 WeakPolarHBondContact O-CA 3.47Å; L218-G221 PolarHBondContact O-N 3.27Å; R219-G221 PolarHBondContact O-N 2.74Å
222	I	96.9	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.			trans	-79.1	128	164.5	-58.3	-60.9	0	0	0	107.9	I175 R187 I190 Q191 A194 F202 M217 I224	I175-I222 HydrophobicContact CD1-CD1 4.23Å; I175-I222 HydrophobicContact CD1-CG1 3.88Å; R187-I222 HydrophobicContact CG-CD1 3.95Å; I190-I222 HydrophobicContact CB-CD1 4.44Å; I190-I222 HydrophobicContact CG2-CD1 3.86Å; I190-I222 HydrophobicContact CG2-CG1 3.8Å; I190-I222 HydrophobicContact CG2-CG2 4.11Å; Q191-I222 HydrophobicContact CB-CD1 4.32Å; A194-I222 HydrophobicContact CB-CG2 3.58Å; F202-I222 HydrophobicContact CZ-CG2 4.47Å; M217-I222 HydrophobicContact CB-CB 3.98Å; M217-I222 HydrophobicContact CB-CG1 3.99Å; M217-I222 HydrophobicContact CB-CG2 4.45Å; M217-I222 VanDerWaalsContact O-CB 3.28Å; M217-I222 WeakPolarHBondContact O-CB 3.35Å; M217-I222 WeakPolarHBondContact O-CG1 3.21Å; M217-I222 PolarHBondContact O-N 3.08Å; M217-I222 HydrophobicContact SD-CG1 4.42Å; I222-I224 HydrophobicContact CG2-CG1 4.42Å
223	H	96.6	Very high	94.9	Very high	21 Å²	21	45.2 Å²	45.2	10%	0.097	22%	0.217	C	C	.	.			trans	-82.5	120.9	173.3	176.3	-119.6	0	0	0	110.1	F60 F133 Q191 A194	F60-H223 AromaticContact CE1-CE1 3.54Å; F60-H223 AromaticContact CE1-CG 3.88Å; F60-H223 AromaticContact CE1-ND1 3.54Å; F60-H223 AromaticContact CE1-NE2 3.87Å; F60-H223 HydrophobicContact CZ-CB 4.19Å; F60-H223 AromaticContact CZ-CE1 3.76Å; F60-H223 AromaticContact CZ-CG 3.74Å; F60-H223 AromaticContact CZ-ND1 3.3Å; F60-H223 VanDerWaalsContact CZ-ND1 3.3Å; F60-H223 WeakPolarHBondContact CZ-ND1 3.21Å; F133-H223 HydrophobicContact CB-CB 4.22Å; F133-H223 HydrophobicContact CD1-CB 4.14Å; F133-H223 AromaticContact CD1-CD2 3.82Å; F133-H223 HydrophobicContact CD2-CB 3.66Å; F133-H223 HydrophobicContact CE1-CB 4.41Å; F133-H223 HydrophobicContact CE2-CB 3.96Å; F133-H223 HydrophobicContact CG-CB 3.75Å; F133-H223 AromaticContact CG-CD2 3.82Å; F133-H223 HydrophobicContact CZ-CB 4.33Å; Q191-H223 PolarHBondContact NE2-O 3.35Å; A194-H223 WeakPolarHBondContact CB-O 3.46Å
224	I	96.3	Very high	94.7	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.138	24%	0.244	C	C	.	.			trans	-110.8	107	174.3	-52.1	170.1	0	0	0	107	A194 K199 F202 P214 L218 I222	A194-I224 HydrophobicContact CB-CG1 4.12Å; K199-I224 HydrophobicContact CB-CG2 4.32Å; F202-I224 HydrophobicContact CB-CG2 4.14Å; F202-I224 HydrophobicContact CD1-CD1 3.38Å; F202-I224 HydrophobicContact CD1-CG1 3.97Å; F202-I224 HydrophobicContact CD1-CG2 4.43Å; F202-I224 HydrophobicContact CE1-CD1 3.47Å; F202-I224 VanDerWaalsContact CE1-CD1 3.47Å; F202-I224 HydrophobicContact CE1-CG1 3.98Å; F202-I224 HydrophobicContact CG-CD1 4.27Å; F202-I224 HydrophobicContact CG-CG1 4.47Å; F202-I224 HydrophobicContact CG-CG2 4.37Å; F202-I224 HydrophobicContact CZ-CD1 4.41Å; P214-I224 HydrophobicContact CB-CD1 4.32Å; L218-I224 HydrophobicContact CD1-CD1 4.23Å; L218-I224 HydrophobicContact CD2-CB 4.3Å; L218-I224 HydrophobicContact CD2-CD1 3.8Å; L218-I224 HydrophobicContact CD2-CG1 3.99Å; L218-I224 HydrophobicContact CG-CD1 3.68Å; L218-I224 HydrophobicContact CG-CG1 4.4Å; I222-I224 HydrophobicContact CG2-CG1 4.42Å
225	P	94.3	Very high	94.4	Very high	12 Å²	12	56 Å²	56	8%	0.078	28%	0.277	C	S	.	.			trans	-72.2	145.4	-176.8	31.4	-35.2	0	0	0	111.4	A194 A198 K199 R227	A194-P225 WeakPolarHBondContact O-CD 3.3Å; A198-P225 WeakPolarHBondContact CA-O 3.44Å; A198-P225 HydrophobicContact CB-CG 4.21Å; A198-P225 WeakPolarHBondContact CB-O 3.06Å; K199-P225 PolarHBondContact N-O 3.2Å; P225-R227 HydrophobicContact CB-CG 4.07Å; P225-R227 HydrophobicContact CG-CG 4.28Å; P225-R227 PolarHBondContact O-N 3.12Å
226	D	92.3	Very high	94	Very high	89 Å²	89	52 Å²	52	48%	0.476	27%	0.27	S	S	.	.	S	Bend	trans	-93.3	87.3	173.7	-154.2	-9	0	0	0	109.1	K199	K199-D226 HydrophobicContact CD-CB 4.22Å; K199-D226 VanDerWaalsContact CD-CG 3.45Å; K199-D226 VanDerWaalsContact CD-OD1 3.28Å; K199-D226 WeakPolarHBondContact CD-OD1 3.43Å; K199-D226 WeakPolarHBondContact CD-OD2 3.46Å; K199-D226 IonicContact NZ-OD1 3.48Å; K199-D226 IonicContact NZ-OD2 3.49Å; K199-D226 PolarHBondContact NZ-OD2 2.92Å
227	R	92.2	Very high	93.5	Very high	91 Å²	91	52.3 Å²	52.3	34%	0.343	28%	0.279	S	S	.	.	S	Bend	trans	-161.1	171.9	-179.6	61	175.8	-171.1	-171.2	2.3	109	H195 A198 P225	H195-R227 PolarHBondContact CD2-NH2 3.47Å; H195-R227 PolarHBondContact CE1-NH2 3Å; H195-R227 PolarHBondContact ND1-NH2 3.4Å; H195-R227 PolarHBondContact NE2-NH2 3.25Å; H195-R227 PolarHBondContact O-NH2 3.4Å; A198-R227 HydrophobicContact CB-CG 4.06Å; A198-R227 WeakPolarHBondContact CB-O 3.48Å; P225-R227 HydrophobicContact CB-CG 4.07Å; P225-R227 HydrophobicContact CG-CG 4.28Å; P225-R227 PolarHBondContact O-N 3.12Å
228	D	93.5	Very high	93	Very high	93 Å²	93	57 Å²	57	50%	0.497	30%	0.299	S	S	.	.			trans	-60.5	154.3	169.8	-60.4	-28.8	0	0	0	111.1	E232 L233	D228-E232 HydrophobicContact CB-CB 4.3Å; D228-L233 HydrophobicContact CB-CD2 4.06Å; D228-L233 HydrophobicContact CB-CG 4.23Å
229	A	94.8	Very high	92.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.			trans	-63.5	148.1	177.4	0	0	0	0	0	110.1	T196 F201 W231 E232 L233	T196-A229 CarbonylContact O-C 3.53Å; T196-A229 WeakPolarHBondContact O-CA 3.47Å; F201-A229 HydrophobicContact CD2-CB 3.76Å; F201-A229 HydrophobicContact CE2-CB 4.12Å; A229-W231 HydrophobicContact CB-CD2 3.65Å; A229-W231 HydrophobicContact CB-CE3 4.1Å; A229-W231 HydrophobicContact CB-CG 4.22Å; A229-W231 HydrophobicContact CB-CH2 3.91Å; A229-W231 HydrophobicContact CB-CZ2 3.39Å; A229-W231 HydrophobicContact CB-CZ3 4.23Å; A229-W231 PolarHBondContact O-N 3.35Å; A229-W231 VanDerWaalsContact O-N 3.11Å; A229-E232 HydrophobicContact CB-CG 4.23Å; A229-E232 PolarHBondContact N-OE2 3.32Å; A229-E232 WeakPolarHBondContact O-CB 3.26Å; A229-E232 PolarHBondContact O-N 2.85Å; A229-L233 PolarHBondContact O-N 3.24Å
230	A	93.6	Very high	92	Very high	27 Å²	27	59.6 Å²	59.6	22%	0.223	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-56	-36	-176.1	0	0	0	0	0	112.2	T196 E232 L233 E234	T196-A230 PolarHBondContact O-N 3.29Å; A230-E232 VanDerWaalsContact C-N 3.28Å; A230-E232 PolarHBondContact O-N 3.21Å; A230-L233 PolarHBondContact O-N 2.96Å; A230-E234 PolarHBondContact O-N 3.32Å
231	W	92.1	Very high	91.4	Very high	121 Å²	121	65.9 Å²	65.9	46%	0.458	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-69.7	-20.2	177.7	58.7	74.9	0	0	0	114.2	S197 F201 A229 L233 A237	S197-W231 VanDerWaalsContact OG-CH2 3.31Å; S197-W231 WeakPolarHBondContact OG-CH2 3.42Å; S197-W231 WeakPolarHBondContact OG-CZ3 3.26Å; F201-W231 HydrophobicContact CB-CH2 3.96Å; F201-W231 HydrophobicContact CB-CZ2 3.83Å; F201-W231 HydrophobicContact CD1-CZ2 4.24Å; F201-W231 HydrophobicContact CD2-CZ2 4Å; F201-W231 HydrophobicContact CG-CH2 4.41Å; F201-W231 AromaticContact CG-CZ2 3.77Å; F201-W231 HydrophobicContact CG-CZ2 3.77Å; A229-W231 HydrophobicContact CB-CD2 3.65Å; A229-W231 HydrophobicContact CB-CE3 4.1Å; A229-W231 HydrophobicContact CB-CG 4.22Å; A229-W231 HydrophobicContact CB-CH2 3.91Å; A229-W231 HydrophobicContact CB-CZ2 3.39Å; A229-W231 HydrophobicContact CB-CZ3 4.23Å; A229-W231 PolarHBondContact O-N 3.35Å; A229-W231 VanDerWaalsContact O-N 3.11Å; W231-L233 VanDerWaalsContact C-N 3.33Å; W231-A237 WeakPolarHBondContact O-CB 3.48Å
232	E	92.4	Very high	90.8	Very high	51 Å²	51	74.4 Å²	74.4	24%	0.238	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-80.9	-19.9	174.8	-61.8	176.3	139.6	0	0	111.6	F201 D228 A229 A230 F238	F201-E232 WeakPolarHBondContact CE2-OE1 3.36Å; F201-E232 WeakPolarHBondContact CE2-OE2 3.32Å; F201-E232 WeakPolarHBondContact CZ-OE1 3.28Å; D228-E232 HydrophobicContact CB-CB 4.3Å; A229-E232 HydrophobicContact CB-CG 4.23Å; A229-E232 PolarHBondContact N-OE2 3.32Å; A229-E232 WeakPolarHBondContact O-CB 3.26Å; A229-E232 PolarHBondContact O-N 2.85Å; A230-E232 VanDerWaalsContact C-N 3.28Å; A230-E232 PolarHBondContact O-N 3.21Å; E232-F238 HydrophobicContact CB-CZ 4.15Å; E232-F238 HydrophobicContact CG-CZ 4.5Å
233	L	90	Very high	90.2	Very high	102 Å²	102	80.9 Å²	80.9	53%	0.534	42%	0.42	S	S	.	.	S	Bend	trans	-93.7	-6.5	-179.8	-59.5	176.1	0	0	0	113.1	D228 A229 A230 W231	D228-L233 HydrophobicContact CB-CD2 4.06Å; D228-L233 HydrophobicContact CB-CG 4.23Å; A229-L233 PolarHBondContact O-N 3.24Å; A230-L233 PolarHBondContact O-N 2.96Å; W231-L233 VanDerWaalsContact C-N 3.33Å
234	E	91.3	Very high	89.8	Confident	119 Å²	119	89.2 Å²	89.2	56%	0.556	45%	0.451	S	S	*	.	S	Bend	trans	-65.8	140.9	177.9	-70.1	-62.5	152.2	0	0	110.8	A230 G236 A237	A230-E234 PolarHBondContact O-N 3.32Å; E234-G236 PolarHBondContact O-N 3.27Å; E234-A237 HydrophobicContact CB-CB 4.47Å; E234-A237 WeakPolarHBondContact O-CB 3.43Å; E234-A237 PolarHBondContact O-N 3.42Å
235	P	90.2	Very high	89.5	Confident	127 Å²	127	91.5 Å²	91.5	83%	0.825	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	116.5	177.3	-24.8	34.2	0	0	0	111.3
236	G	88.4	Confident	89.5	Confident	46 Å²	46	96.3 Å²	96.3	47%	0.474	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	21.6	-178.2	0	0	0	0	0	114.7	E234 F238 S239	E234-G236 PolarHBondContact O-N 3.27Å; G236-F238 PolarHBondContact O-N 3.49Å; G236-S239 WeakPolarHBondContact CA-OG 3.47Å; G236-S239 VanDerWaalsContact O-CB 3.24Å; G236-S239 WeakPolarHBondContact O-CB 3.49Å; G236-S239 PolarHBondContact O-N 3.08Å; G236-S239 PolarHBondContact O-OG 3.48Å
237	A	86.3	Confident	89.6	Confident	40 Å²	40	94.7 Å²	94.7	33%	0.331	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-30.6	176.5	0	0	0	0	0	114.6	W231 E234	W231-A237 WeakPolarHBondContact O-CB 3.48Å; E234-A237 HydrophobicContact CB-CB 4.47Å; E234-A237 WeakPolarHBondContact O-CB 3.43Å; E234-A237 PolarHBondContact O-N 3.42Å
238	F	87.2	Confident	89.8	Confident	97 Å²	97	90.4 Å²	90.4	43%	0.425	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.4	-178.9	-51	-73.3	0	0	0	113.6	E232 G236 D240 L241 Y242	E232-F238 HydrophobicContact CB-CZ 4.15Å; E232-F238 HydrophobicContact CG-CZ 4.5Å; G236-F238 PolarHBondContact O-N 3.49Å; F238-D240 VanDerWaalsContact C-N 3.25Å; F238-D240 PolarHBondContact O-N 3.13Å; F238-L241 HydrophobicContact CB-CD1 4.21Å; F238-L241 HydrophobicContact CD1-CD1 3.82Å; F238-L241 WeakPolarHBondContact O-CB 3.15Å; F238-L241 PolarHBondContact O-N 2.96Å; F238-Y242 HydrophobicContact CB-CE2 4.01Å; F238-Y242 WeakPolarHBondContact O-CD2 3.28Å; F238-Y242 PolarHBondContact O-N 2.81Å
239	S	87.2	Confident	89.8	Confident	60 Å²	60	88.2 Å²	88.2	42%	0.42	44%	0.441	S	S	.	.	H	α-helix	trans	-57.6	-39.4	-175.1	-56.2	0	0	0	0	112.2	G236 L241 Y242 Q243	G236-S239 WeakPolarHBondContact CA-OG 3.47Å; G236-S239 VanDerWaalsContact O-CB 3.24Å; G236-S239 WeakPolarHBondContact O-CB 3.49Å; G236-S239 PolarHBondContact O-N 3.08Å; G236-S239 PolarHBondContact O-OG 3.48Å; S239-L241 VanDerWaalsContact C-N 3.27Å; S239-L241 PolarHBondContact O-N 3.04Å; S239-Y242 PolarHBondContact O-N 3.06Å; S239-Y242 VanDerWaalsContact O-N 3.12Å; S239-Q243 PolarHBondContact O-N 2.88Å
240	D	83.8	Confident	89.8	Confident	119 Å²	119	88.3 Å²	88.3	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-67.4	-28.5	179.3	-63.4	-20.4	0	0	0	112	F238 Y242 Q243	F238-D240 VanDerWaalsContact C-N 3.25Å; F238-D240 PolarHBondContact O-N 3.13Å; D240-Y242 VanDerWaalsContact C-N 3.25Å; D240-Y242 PolarHBondContact O-N 3.07Å; D240-Q243 WeakPolarHBondContact O-CB 3.45Å; D240-Q243 PolarHBondContact O-N 3.46Å; D240-Q243 PolarHBondContact OD1-NE2 2.71Å
241	L	84.8	Confident	89.7	Confident	138 Å²	138	92.8 Å²	92.8	72%	0.723	47%	0.469	S	S	*	.	H	α-helix	trans	-69.9	-24.2	174.6	-58.1	179.1	0	0	0	112.4	F238 S239	F238-L241 HydrophobicContact CB-CD1 4.21Å; F238-L241 HydrophobicContact CD1-CD1 3.82Å; F238-L241 WeakPolarHBondContact O-CB 3.15Å; F238-L241 PolarHBondContact O-N 2.96Å; S239-L241 VanDerWaalsContact C-N 3.27Å; S239-L241 PolarHBondContact O-N 3.04Å
242	Y	83.8	Confident	89.8	Confident	182 Å²	182	93 Å²	93	71%	0.714	48%	0.477	S	S	*	.	H	α-helix	trans	-86.9	-10.9	174.7	-59.3	-66.3	0	0	0	112.9	F238 S239 D240 R244	F238-Y242 HydrophobicContact CB-CE2 4.01Å; F238-Y242 WeakPolarHBondContact O-CD2 3.28Å; F238-Y242 PolarHBondContact O-N 2.81Å; S239-Y242 PolarHBondContact O-N 3.06Å; S239-Y242 VanDerWaalsContact O-N 3.12Å; D240-Y242 VanDerWaalsContact C-N 3.25Å; D240-Y242 PolarHBondContact O-N 3.07Å; Y242-R244 VanDerWaalsContact C-N 3.33Å; Y242-R244 PolarHBondContact O-N 3.05Å
243	Q	83.7	Confident	89.9	Confident	137 Å²	137	91.9 Å²	91.9	64%	0.64	48%	0.475	S	S	*	.			trans	-71.3	92.9	172.1	-67.1	-179.9	24.8	0	0	109	S239 D240	S239-Q243 PolarHBondContact O-N 2.88Å; D240-Q243 WeakPolarHBondContact O-CB 3.45Å; D240-Q243 PolarHBondContact O-N 3.46Å; D240-Q243 PolarHBondContact OD1-NE2 2.71Å
244	R	87	Confident	90.1	Very high	195 Å²	195	91.8 Å²	91.8	74%	0.736	48%	0.475	S	S	*	.			trans	-70.8	150.6	166.7	-74.3	-176.9	150.7	168.6	-5.1	109.6	Y242 Q246 L272	Y242-R244 VanDerWaalsContact C-N 3.33Å; Y242-R244 PolarHBondContact O-N 3.05Å; R244-Q246 VanDerWaalsContact O-CG 3.27Å; R244-Q246 WeakPolarHBondContact O-CG 3.49Å; R244-Q246 PolarHBondContact O-N 3.16Å; R244-L272 HydrophobicContact CB-CD1 4.34Å
245	Y	91.3	Very high	90.3	Very high	76 Å²	76	87 Å²	87	30%	0.298	45%	0.452	S	S	.	.			trans	-59	136.7	169.3	-164.9	-100	0	0	0	110	H247 D249 L272 G277 S278	Y245-H247 HydrophobicContact CD1-CB 4.41Å; Y245-H247 HydrophobicContact CE1-CB 3.65Å; Y245-H247 WeakPolarHBondContact CE1-O 3.25Å; Y245-D249 WeakPolarHBondContact CE1-OD2 3.26Å; Y245-D249 VanDerWaalsContact OH-CG 3.27Å; Y245-D249 PolarHBondContact OH-OD1 3.42Å; Y245-D249 PolarHBondContact OH-OD2 3.28Å; Y245-L272 HydrophobicContact CD1-CD2 4.17Å; Y245-L272 WeakPolarHBondContact O-CD2 3.42Å; Y245-G277 WeakPolarHBondContact CB-O 3.23Å; Y245-S278 WeakPolarHBondContact CD2-O 3.22Å; Y245-S278 WeakPolarHBondContact CE2-O 3.5Å
246	Q	92.8	Very high	90.5	Very high	112 Å²	112	90.1 Å²	90.1	52%	0.523	46%	0.455	S	S	.	.			trans	-128.6	10.2	-171.8	-63.9	-166.5	7.9	0	0	113.7	R244 F262 L270	R244-Q246 VanDerWaalsContact O-CG 3.27Å; R244-Q246 WeakPolarHBondContact O-CG 3.49Å; R244-Q246 PolarHBondContact O-N 3.16Å; Q246-F262 HydrophobicContact CB-CE1 3.93Å; Q246-F262 HydrophobicContact CG-CE1 4.17Å; Q246-F262 HydrophobicContact CG-CZ 4.29Å; Q246-L270 VanDerWaalsContact C-CD2 3.48Å; Q246-L270 VanDerWaalsContact CA-CD2 3.48Å
247	H	95	Very high	90.8	Very high	56 Å²	56	94.2 Å²	94.2	26%	0.259	46%	0.462	S	S	.	.			trans	-106.9	147.5	-176.4	-165.4	77.7	0	0	0	111.5	Y245 D249 R259 D260 G280	Y245-H247 HydrophobicContact CD1-CB 4.41Å; Y245-H247 HydrophobicContact CE1-CB 3.65Å; Y245-H247 WeakPolarHBondContact CE1-O 3.25Å; H247-D249 IonicContact CD2-OD1 3.73Å; H247-D249 PolarHBondContact CD2-OD1 3Å; H247-R259 WeakPolarHBondContact CE1-CB 3.36Å; H247-R259 WeakPolarHBondContact NE2-CD 3.29Å; H247-D260 IonicContact CE1-OD1 3.66Å; H247-D260 IonicContact CG-OD1 3.38Å; H247-D260 IonicContact ND1-OD1 3.43Å; H247-D260 PolarHBondContact ND1-OD1 3.06Å; H247-G280 CarbonylContact O-C 3.55Å; H247-G280 WeakPolarHBondContact O-CA 3.11Å
248	C	96	Very high	91.1	Very high	0 Å²	0	93.8 Å²	93.8	0%	0	46%	0.461	C	S	.	.			trans	-93.2	111.7	170.3	178.8	0	0	0	0	111	R259 L270 G280 H282	C248-R259 HydrophobicContact CB-CB 4.21Å; C248-R259 HydrophobicContact CB-CG 4.46Å; C248-R259 PolarHBondContact N-O 2.89Å; C248-R259 PolarHBondContact O-NH1 3.4Å; C248-L270 HydrophobicContact CB-CD1 4.2Å; C248-G280 CarbonylContact C-O 3.5Å; C248-G280 WeakPolarHBondContact CA-O 3.11Å; C248-H282 VanDerWaalsContact CB-CE1 3.42Å; C248-H282 WeakPolarHBondContact CB-CE1 3.33Å; C248-H282 WeakPolarHBondContact CB-ND1 3.45Å; C248-H282 PolarHBondContact SG-N 2.77Å; C248-H282 VanDerWaalsContact SG-N 3.38Å; C248-H282 PolarHBondContact SG-ND1 2.59Å
249	D	95.4	Very high	91.6	Very high	48 Å²	48	93 Å²	93	26%	0.257	46%	0.455	S	S	.	.			trans	-90.7	3.6	-178.5	-54	-50.4	0	0	0	113.6	Y245 H247 H279 G280	Y245-D249 WeakPolarHBondContact CE1-OD2 3.26Å; Y245-D249 VanDerWaalsContact OH-CG 3.27Å; Y245-D249 PolarHBondContact OH-OD1 3.42Å; Y245-D249 PolarHBondContact OH-OD2 3.28Å; H247-D249 IonicContact CD2-OD1 3.73Å; H247-D249 PolarHBondContact CD2-OD1 3Å; D249-H279 WeakPolarHBondContact OD2-CA 3.49Å; D249-H279 WeakPolarHBondContact OD2-CB 3.44Å; D249-H279 IonicContact OD2-CD2 3.47Å; D249-H279 PolarHBondContact OD2-CD2 2.75Å; D249-H279 IonicContact OD2-CG 3.94Å; D249-G280 WeakPolarHBondContact CB-O 3.01Å; D249-G280 PolarHBondContact N-O 3.3Å; D249-G280 PolarHBondContact OD2-N 2.78Å
250	A	92.8	Very high	92	Very high	2 Å²	2	95.2 Å²	95.2	2%	0.017	46%	0.463	C	S	.	.			trans	-54.9	136.3	175.3	0	0	0	0	0	110	I252 R259 C285	A250-I252 PolarHBondContact O-N 3.02Å; A250-R259 PolarHBondContact O-NH1 3.31Å; A250-C285 HydrophobicContact CB-CB 3.53Å
251	P	92	Very high	92.5	Very high	120 Å²	120	91.4 Å²	91.4	78%	0.779	45%	0.445	S	S	*	.	S	Bend	trans	-49.6	-38.5	-179.3	-30.1	34.8	0	0	0	112.6	R259	P251-R259 PolarHBondContact O-NH2 2.68Å
252	I	93.6	Very high	92.9	Very high	125 Å²	125	88.5 Å²	88.5	64%	0.641	43%	0.427	S	S	*	.	S	Bend	trans	-123	113.7	172.7	-55.5	175.5	0	0	0	108.7	A250 L254	A250-I252 PolarHBondContact O-N 3.02Å; I252-L254 HydrophobicContact CG2-CD2 4.15Å
253	C	95.6	Very high	93.4	Very high	29 Å²	29	83.6 Å²	83.6	20%	0.196	41%	0.41	C	S	.	.			trans	-82.1	120.5	172.7	177.2	0	0	0	0	110	R259	C253-R259 HydrophobicContact CB-CG 3.58Å
254	L	94.5	Very high	93.7	Very high	99 Å²	99	84.7 Å²	84.7	52%	0.518	42%	0.421	S	S	.	.			trans	-87.3	-9.7	-180	-56.2	178	0	0	0	113.1	I252 W268 C285	I252-L254 HydrophobicContact CG2-CD2 4.15Å; L254-W268 HydrophobicContact CB-CH2 3.87Å; L254-W268 HydrophobicContact CB-CZ3 3.91Å; L254-W268 WeakPolarHBondContact O-CH2 3.31Å; L254-C285 PolarHBondContact N-SG 3.5Å
255	Y	95.3	Very high	93.8	Very high	19 Å²	19	83.3 Å²	83.3	8%	0.075	42%	0.423	C	S	.	.			trans	-83.2	121.8	-175	-167.7	-149.8	0	0	0	112.7	Q257 G258 S261 W268 H282	Y255-Q257 VanDerWaalsContact C-N 3.27Å; Y255-Q257 HydrophobicContact CD1-CB 4.13Å; Y255-Q257 HydrophobicContact CE1-CB 3.71Å; Y255-Q257 HydrophobicContact CE1-CG 4.2Å; Y255-Q257 HydrophobicContact CE2-CB 4.25Å; Y255-Q257 HydrophobicContact CE2-CG 4Å; Y255-Q257 PolarHBondContact O-N 3.22Å; Y255-Q257 PolarHBondContact OH-NE2 3.02Å; Y255-Q257 VanDerWaalsContact OH-NE2 3.08Å; Y255-G258 PolarHBondContact O-N 3.5Å; Y255-G258 VanDerWaalsContact O-N 3.1Å; Y255-S261 WeakPolarHBondContact CD1-O 3.2Å; Y255-S261 VanDerWaalsContact CE1-O 3.25Å; Y255-S261 WeakPolarHBondContact CE1-O 3.27Å; Y255-W268 HydrophobicContact CD1-CB 4.36Å; Y255-W268 HydrophobicContact CD2-CB 4.07Å; Y255-W268 AromaticContact CD2-CD1 3.78Å; Y255-W268 AromaticContact CD2-CD2 3.28Å; Y255-W268 HydrophobicContact CD2-CD2 3.28Å; Y255-W268 AromaticContact CD2-CE2 3.55Å; Y255-W268 AromaticContact CD2-CE3 3.66Å; Y255-W268 HydrophobicContact CD2-CE3 3.66Å; Y255-W268 AromaticContact CD2-CG 3.47Å; Y255-W268 HydrophobicContact CD2-CG 3.47Å; Y255-W268 VanDerWaalsContact CD2-CG 3.47Å; Y255-W268 HydrophobicContact CD2-CH2 4.45Å; Y255-W268 HydrophobicContact CD2-CZ2 4.14Å; Y255-W268 HydrophobicContact CD2-CZ3 4.23Å; Y255-W268 AromaticContact CD2-NE1 3.79Å; Y255-W268 HydrophobicContact CE1-CB 4.13Å; Y255-W268 HydrophobicContact CE2-CB 3.86Å; Y255-W268 AromaticContact CE2-CD1 3.43Å; Y255-W268 VanDerWaalsContact CE2-CD1 3.43Å; Y255-W268 AromaticContact CE2-CD2 3.78Å; Y255-W268 HydrophobicContact CE2-CD2 3.78Å; Y255-W268 AromaticContact CE2-CE2 4Å; Y255-W268 AromaticContact CE2-CG 3.43Å; Y255-W268 HydrophobicContact CE2-CG 3.43Å; Y255-W268 VanDerWaalsContact CE2-CG 3.43Å; Y255-W268 AromaticContact CE2-NE1 3.73Å; Y255-W268 HydrophobicContact CG-CB 4.32Å; Y255-W268 AromaticContact CG-CD2 3.82Å; Y255-W268 HydrophobicContact CG-CD2 3.82Å; Y255-W268 AromaticContact CG-CE3 3.74Å; Y255-W268 HydrophobicContact CG-CE3 3.74Å; Y255-W268 HydrophobicContact CG-CG 4.09Å; Y255-W268 HydrophobicContact CG-CZ3 4.3Å; Y255-W268 AromaticContact CZ-CG 3.97Å; Y255-H282 AromaticContact CD1-CE1 3.82Å; Y255-H282 AromaticContact CD1-NE2 3.72Å
256	E	94	Very high	93.8	Very high	193 Å²	193	81.8 Å²	81.8	90%	0.902	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.9	-176.3	-63	-178.4	172.8	0	0	113.9	G258	E256-G258 PolarHBondContact O-N 2.85Å
257	Q	93.9	Very high	93.8	Very high	132 Å²	132	83.2 Å²	83.2	62%	0.617	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	1.2	177.6	-57.9	-169.4	26.5	0	0	113.3	Y255 S261	Y255-Q257 VanDerWaalsContact C-N 3.27Å; Y255-Q257 HydrophobicContact CD1-CB 4.13Å; Y255-Q257 HydrophobicContact CE1-CB 3.71Å; Y255-Q257 HydrophobicContact CE1-CG 4.2Å; Y255-Q257 HydrophobicContact CE2-CB 4.25Å; Y255-Q257 HydrophobicContact CE2-CG 4Å; Y255-Q257 PolarHBondContact O-N 3.22Å; Y255-Q257 PolarHBondContact OH-NE2 3.02Å; Y255-Q257 VanDerWaalsContact OH-NE2 3.08Å; Q257-S261 WeakPolarHBondContact O-CB 3.2Å; Q257-S261 PolarHBondContact O-OG 3.18Å
258	G	94.6	Very high	93.7	Very high	30 Å²	30	81.8 Å²	81.8	31%	0.309	42%	0.423	S	S	.	.			trans	93.9	174.8	179.5	0	0	0	0	0	114	Y255 E256 D260	Y255-G258 PolarHBondContact O-N 3.5Å; Y255-G258 VanDerWaalsContact O-N 3.1Å; E256-G258 PolarHBondContact O-N 2.85Å; G258-D260 PolarHBondContact O-N 2.94Å
259	R	96.3	Very high	93.6	Very high	81 Å²	81	82.3 Å²	82.3	31%	0.306	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-28.3	-173.3	-67.9	174.3	-179.4	-86.2	3.1	114	H247 C248 A250 P251 C253	H247-R259 WeakPolarHBondContact CE1-CB 3.36Å; H247-R259 WeakPolarHBondContact NE2-CD 3.29Å; C248-R259 HydrophobicContact CB-CB 4.21Å; C248-R259 HydrophobicContact CB-CG 4.46Å; C248-R259 PolarHBondContact N-O 2.89Å; C248-R259 PolarHBondContact O-NH1 3.4Å; A250-R259 PolarHBondContact O-NH1 3.31Å; P251-R259 PolarHBondContact O-NH2 2.68Å; C253-R259 HydrophobicContact CB-CG 3.58Å
260	D	95.4	Very high	93.6	Very high	107 Å²	107	81.5 Å²	81.5	57%	0.572	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	0.3	-177.6	-55.5	-55.7	0	0	0	113.5	H247 G258	H247-D260 IonicContact CE1-OD1 3.66Å; H247-D260 IonicContact CG-OD1 3.38Å; H247-D260 IonicContact ND1-OD1 3.43Å; H247-D260 PolarHBondContact ND1-OD1 3.06Å; G258-D260 PolarHBondContact O-N 2.94Å
261	S	94.8	Very high	93.6	Very high	38 Å²	38	82.1 Å²	82.1	27%	0.266	43%	0.425	S	S	.	.			trans	-104.5	141.3	177.8	-58.8	0	0	0	0	108.8	Y255 Q257 H282	Y255-S261 WeakPolarHBondContact CD1-O 3.2Å; Y255-S261 VanDerWaalsContact CE1-O 3.25Å; Y255-S261 WeakPolarHBondContact CE1-O 3.27Å; Q257-S261 WeakPolarHBondContact O-CB 3.2Å; Q257-S261 PolarHBondContact O-OG 3.18Å; S261-H282 PolarHBondContact O-NE2 3.43Å
262	F	94	Very high	93.8	Very high	78 Å²	78	78.7 Å²	78.7	34%	0.342	40%	0.4	S	S	.	.			trans	-155.2	160.1	175.8	51.6	-88.9	0	0	0	110.7	Q246 W268 L270	Q246-F262 HydrophobicContact CB-CE1 3.93Å; Q246-F262 HydrophobicContact CG-CE1 4.17Å; Q246-F262 HydrophobicContact CG-CZ 4.29Å; F262-W268 VanDerWaalsContact CA-O 3.26Å; F262-W268 WeakPolarHBondContact CA-O 3.3Å; F262-W268 VanDerWaalsContact CB-O 3.22Å; F262-W268 WeakPolarHBondContact CB-O 3.46Å; F262-L270 HydrophobicContact CB-CB 3.88Å; F262-L270 HydrophobicContact CD1-CB 4.12Å; F262-L270 HydrophobicContact CD1-CD2 4.26Å; F262-L270 HydrophobicContact CD2-CB 4.21Å; F262-L270 HydrophobicContact CE1-CD2 4.42Å; F262-L270 HydrophobicContact CG-CB 3.8Å
263	E	93.4	Very high	93.8	Very high	78 Å²	78	73 Å²	73	36%	0.364	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-93.2	154.6	173.9	-66.4	172	168.8	0	0	110.1	E265 W268 C269	E263-E265 VanDerWaalsContact C-N 3.25Å; E263-E265 VanDerWaalsContact CB-O 3.28Å; E263-E265 WeakPolarHBondContact CB-O 3.35Å; E263-E265 PolarHBondContact O-N 3.3Å; E263-W268 HydrophobicContact CB-CB 4.38Å; E263-W268 HydrophobicContact CG-CB 4Å; E263-W268 PolarHBondContact N-O 2.69Å; E263-C269 VanDerWaalsContact O-CA 3.23Å; E263-C269 WeakPolarHBondContact O-CA 3.42Å; E263-C269 WeakPolarHBondContact O-CB 3.44Å
264	D	89.7	Confident	93.7	Very high	161 Å²	161	74.7 Å²	74.7	86%	0.861	39%	0.387	S	S	*	.	S	Bend	trans	-64.5	-34.5	175.7	-68.8	-37.6	0	0	0	111.5
265	E	89.7	Confident	93.6	Very high	166 Å²	166	74.4 Å²	74.4	78%	0.776	39%	0.389	S	S	*	.	S	Bend	trans	-141	163.7	178	-64.4	-170.7	165.6	0	0	110.7	E263	E263-E265 VanDerWaalsContact C-N 3.25Å; E263-E265 VanDerWaalsContact CB-O 3.28Å; E263-E265 WeakPolarHBondContact CB-O 3.35Å; E263-E265 PolarHBondContact O-N 3.3Å
266	G	90.7	Very high	93.5	Very high	43 Å²	43	75.8 Å²	75.8	44%	0.443	40%	0.401	S	S	.	.	S	Bend	trans	102.7	-154.9	175.1	0	0	0	0	0	114.3	C269 R283	G266-C269 PolarHBondContact O-SG 3.17Å; G266-R283 PolarHBondContact O-NE 3.16Å
267	R	92.4	Very high	93.5	Very high	142 Å²	142	68 Å²	68	54%	0.536	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.2	-175	56.3	171.4	178.6	176	3.9	114	R283 D284	R267-R283 WeakPolarHBondContact O-CB 3.48Å; R267-D284 HydrophobicContact CB-CB 4.44Å; R267-D284 VanDerWaalsContact CB-CG 3.48Å; R267-D284 WeakPolarHBondContact CB-OD1 3.44Å; R267-D284 WeakPolarHBondContact CB-OD2 3.36Å; R267-D284 PolarHBondContact O-N 2.85Å
268	W	94.5	Very high	93.4	Very high	26 Å²	26	65.1 Å²	65.1	10%	0.098	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	14.2	179.5	-53.1	125.4	0	0	0	112.4	L254 Y255 F262 E263 H282 D284	L254-W268 HydrophobicContact CB-CH2 3.87Å; L254-W268 HydrophobicContact CB-CZ3 3.91Å; L254-W268 WeakPolarHBondContact O-CH2 3.31Å; Y255-W268 HydrophobicContact CD1-CB 4.36Å; Y255-W268 HydrophobicContact CD2-CB 4.07Å; Y255-W268 AromaticContact CD2-CD1 3.78Å; Y255-W268 AromaticContact CD2-CD2 3.28Å; Y255-W268 HydrophobicContact CD2-CD2 3.28Å; Y255-W268 AromaticContact CD2-CE2 3.55Å; Y255-W268 AromaticContact CD2-CE3 3.66Å; Y255-W268 HydrophobicContact CD2-CE3 3.66Å; Y255-W268 AromaticContact CD2-CG 3.47Å; Y255-W268 HydrophobicContact CD2-CG 3.47Å; Y255-W268 VanDerWaalsContact CD2-CG 3.47Å; Y255-W268 HydrophobicContact CD2-CH2 4.45Å; Y255-W268 HydrophobicContact CD2-CZ2 4.14Å; Y255-W268 HydrophobicContact CD2-CZ3 4.23Å; Y255-W268 AromaticContact CD2-NE1 3.79Å; Y255-W268 HydrophobicContact CE1-CB 4.13Å; Y255-W268 HydrophobicContact CE2-CB 3.86Å; Y255-W268 AromaticContact CE2-CD1 3.43Å; Y255-W268 VanDerWaalsContact CE2-CD1 3.43Å; Y255-W268 AromaticContact CE2-CD2 3.78Å; Y255-W268 HydrophobicContact CE2-CD2 3.78Å; Y255-W268 AromaticContact CE2-CE2 4Å; Y255-W268 AromaticContact CE2-CG 3.43Å; Y255-W268 HydrophobicContact CE2-CG 3.43Å; Y255-W268 VanDerWaalsContact CE2-CG 3.43Å; Y255-W268 AromaticContact CE2-NE1 3.73Å; Y255-W268 HydrophobicContact CG-CB 4.32Å; Y255-W268 AromaticContact CG-CD2 3.82Å; Y255-W268 HydrophobicContact CG-CD2 3.82Å; Y255-W268 AromaticContact CG-CE3 3.74Å; Y255-W268 HydrophobicContact CG-CE3 3.74Å; Y255-W268 HydrophobicContact CG-CG 4.09Å; Y255-W268 HydrophobicContact CG-CZ3 4.3Å; Y255-W268 AromaticContact CZ-CG 3.97Å; F262-W268 VanDerWaalsContact CA-O 3.26Å; F262-W268 WeakPolarHBondContact CA-O 3.3Å; F262-W268 VanDerWaalsContact CB-O 3.22Å; F262-W268 WeakPolarHBondContact CB-O 3.46Å; E263-W268 HydrophobicContact CB-CB 4.38Å; E263-W268 HydrophobicContact CG-CB 4Å; E263-W268 PolarHBondContact N-O 2.69Å; W268-H282 HydrophobicContact CE3-CB 4.24Å; W268-H282 PolarHBondContact O-CD2 3.42Å; W268-D284 HydrophobicContact CZ3-CB 4.21Å
269	C	93.8	Very high	93.4	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.074	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-67.8	139.8	169.3	74.3	0	0	0	0	110.5	E263 G266 H282 R283	E263-C269 VanDerWaalsContact O-CA 3.23Å; E263-C269 WeakPolarHBondContact O-CA 3.42Å; E263-C269 WeakPolarHBondContact O-CB 3.44Å; G266-C269 PolarHBondContact O-SG 3.17Å; C269-H282 WeakPolarHBondContact O-CA 3.41Å; C269-R283 PolarHBondContact O-N 3.09Å; C269-R283 VanDerWaalsContact O-N 3.15Å; C269-R283 PolarHBondContact SG-NH2 3.49Å
270	L	94.5	Very high	93.3	Very high	31 Å²	31	61.9 Å²	61.9	16%	0.162	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.4	175.7	-167.1	74.4	0	0	0	110	Q246 C248 F262 L272	Q246-L270 VanDerWaalsContact C-CD2 3.48Å; Q246-L270 VanDerWaalsContact CA-CD2 3.48Å; C248-L270 HydrophobicContact CB-CD1 4.2Å; F262-L270 HydrophobicContact CB-CB 3.88Å; F262-L270 HydrophobicContact CD1-CB 4.12Å; F262-L270 HydrophobicContact CD1-CD2 4.26Å; F262-L270 HydrophobicContact CD2-CB 4.21Å; F262-L270 HydrophobicContact CE1-CD2 4.42Å; F262-L270 HydrophobicContact CG-CB 3.8Å; L270-L272 HydrophobicContact CD2-CD2 3.97Å; L270-L272 HydrophobicContact CG-CD2 4.28Å
271	I	94.1	Very high	93.3	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.077	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.2	177.5	-58.3	174.7	0	0	0	107.5	G280 T281 R283 L288 W295	I271-G280 CarbonylContact O-C 3.47Å; I271-G280 WeakPolarHBondContact O-CA 3.31Å; I271-T281 PolarHBondContact N-O 2.91Å; I271-T281 PolarHBondContact O-N 3.22Å; I271-R283 HydrophobicContact CD1-CB 3.85Å; I271-R283 HydrophobicContact CD1-CG 4.12Å; I271-L288 HydrophobicContact CB-CD1 4.34Å; I271-L288 HydrophobicContact CD1-CD1 3.55Å; I271-L288 HydrophobicContact CG2-CD1 4.39Å; I271-W295 HydrophobicContact CG2-CB 3.83Å
272	L	94.4	Very high	93.4	Very high	49 Å²	49	55 Å²	55	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	152.2	178.3	-58.1	-174.4	0	0	0	111.4	R244 Y245 L270 A274 H279	R244-L272 HydrophobicContact CB-CD1 4.34Å; Y245-L272 HydrophobicContact CD1-CD2 4.17Å; Y245-L272 WeakPolarHBondContact O-CD2 3.42Å; L270-L272 HydrophobicContact CD2-CD2 3.97Å; L270-L272 HydrophobicContact CG-CD2 4.28Å; L272-A274 PolarHBondContact O-N 2.8Å; L272-H279 CarbonylContact C-O 3.55Å; L272-H279 VanDerWaalsContact CA-O 3.31Å; L272-H279 WeakPolarHBondContact CA-O 3.35Å
273	C	94.8	Very high	93.4	Very high	4 Å²	4	53 Å²	53	3%	0.027	30%	0.298	C	S	.	.			trans	-58.5	126.3	172.8	172.5	0	0	0	0	109.4	T275 C276 G277 H279 W295 C297	C273-T275 PolarHBondContact O-N 2.91Å; C273-T275 PolarHBondContact SG-N 3.1Å; C273-C276 VanDerWaalsContact CB-SG 3.6Å; C273-G277 VanDerWaalsContact O-CA 3.31Å; C273-G277 WeakPolarHBondContact O-CA 3.43Å; C273-G277 PolarHBondContact O-N 3.15Å; C273-H279 HydrophobicContact CB-CB 4.22Å; C273-H279 PolarHBondContact N-O 3.22Å; C273-W295 CarbonylContact C-O 3.55Å; C273-W295 WeakPolarHBondContact CA-O 3.39Å; C273-W295 HydrophobicContact CB-CE3 4.14Å; C273-W295 HydrophobicContact CB-CZ3 3.94Å; C273-C297 HydrophobicContact CB-CB 4.21Å; C273-C297 PolarHBondContact SG-N 3.39Å
274	A	93.2	Very high	93.4	Very high	65 Å²	65	52.2 Å²	52.2	54%	0.537	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.8	-177.1	0	0	0	0	0	113.5	L272 W295	L272-A274 PolarHBondContact O-N 2.8Å; A274-W295 PolarHBondContact N-O 2.85Å
275	T	92.8	Very high	93.6	Very high	94 Å²	94	45.4 Å²	45.4	58%	0.577	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-57.3	-176.7	-51.9	0	0	0	0	111.9	C273 C300	C273-T275 PolarHBondContact O-N 2.91Å; C273-T275 PolarHBondContact SG-N 3.1Å; T275-C300 HydrophobicContact CG2-CB 4.2Å
276	C	93	Very high	93.7	Very high	48 Å²	48	39.3 Å²	39.3	32%	0.324	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-26.7	-176.1	66.3	0	0	0	0	114	C273 S278	C273-C276 VanDerWaalsContact CB-SG 3.6Å; C276-S278 PolarHBondContact O-N 3.28Å; C276-S278 PolarHBondContact O-OG 3.38Å
277	G	92.6	Very high	93.5	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	25%	0.252	S	S	.	.	S	Bend	trans	64.1	-9.8	-170.8	0	0	0	0	0	115.5	Y245 C273 H279	Y245-G277 WeakPolarHBondContact CB-O 3.23Å; C273-G277 VanDerWaalsContact O-CA 3.31Å; C273-G277 WeakPolarHBondContact O-CA 3.43Å; C273-G277 PolarHBondContact O-N 3.15Å; G277-H279 VanDerWaalsContact C-N 3.34Å
278	S	92.1	Very high	93.3	Very high	72 Å²	72	37 Å²	37	50%	0.503	23%	0.233	S	C	.	.	S	Bend	trans	-87.1	0.4	-177.1	-53.1	0	0	0	0	114.4	Y245 C276	Y245-S278 WeakPolarHBondContact CD2-O 3.22Å; Y245-S278 WeakPolarHBondContact CE2-O 3.5Å; C276-S278 PolarHBondContact O-N 3.28Å; C276-S278 PolarHBondContact O-OG 3.38Å
279	H	94.6	Very high	92.8	Very high	42 Å²	42	46 Å²	46	19%	0.194	27%	0.267	C	S	.	.			trans	-126.8	150	173	-72.1	92.8	0	0	0	109	D249 L272 C273 G277 W295 C297 E299	D249-H279 WeakPolarHBondContact OD2-CA 3.49Å; D249-H279 WeakPolarHBondContact OD2-CB 3.44Å; D249-H279 IonicContact OD2-CD2 3.47Å; D249-H279 PolarHBondContact OD2-CD2 2.75Å; D249-H279 IonicContact OD2-CG 3.94Å; L272-H279 CarbonylContact C-O 3.55Å; L272-H279 VanDerWaalsContact CA-O 3.31Å; L272-H279 WeakPolarHBondContact CA-O 3.35Å; C273-H279 HydrophobicContact CB-CB 4.22Å; C273-H279 PolarHBondContact N-O 3.22Å; G277-H279 VanDerWaalsContact C-N 3.34Å; H279-W295 HydrophobicContact CB-CH2 4.09Å; H279-W295 HydrophobicContact CB-CZ3 4.14Å; H279-C297 HydrophobicContact CB-CB 3.63Å; H279-E299 IonicContact CE1-OE1 3.33Å; H279-E299 IonicContact CE1-OE2 3.64Å; H279-E299 PolarHBondContact CE1-OE2 2.75Å
280	G	94.7	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.7	179.4	0	0	0	0	0	112	H247 C248 D249 I271	H247-G280 CarbonylContact O-C 3.55Å; H247-G280 WeakPolarHBondContact O-CA 3.11Å; C248-G280 CarbonylContact C-O 3.5Å; C248-G280 WeakPolarHBondContact CA-O 3.11Å; D249-G280 WeakPolarHBondContact CB-O 3.01Å; D249-G280 PolarHBondContact N-O 3.3Å; D249-G280 PolarHBondContact OD2-N 2.78Å; I271-G280 CarbonylContact O-C 3.47Å; I271-G280 WeakPolarHBondContact O-CA 3.31Å
281	T	95.5	Very high	91	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.4	169.7	-171.6	0	0	0	0	109.7	I271 S286 L288 W295	I271-T281 PolarHBondContact N-O 2.91Å; I271-T281 PolarHBondContact O-N 3.22Å; T281-S286 WeakPolarHBondContact CB-OG 3.32Å; T281-S286 WeakPolarHBondContact CG2-OG 3.33Å; T281-S286 PolarHBondContact OG1-OG 3.38Å; T281-L288 HydrophobicContact CG2-CD1 3.94Å; T281-W295 HydrophobicContact CG2-CD2 3.44Å; T281-W295 VanDerWaalsContact CG2-CD2 3.44Å; T281-W295 VanDerWaalsContact CG2-CE2 3.45Å; T281-W295 HydrophobicContact CG2-CE3 3.79Å; T281-W295 HydrophobicContact CG2-CG 3.88Å; T281-W295 HydrophobicContact CG2-CH2 4.13Å; T281-W295 HydrophobicContact CG2-CZ2 3.81Å; T281-W295 HydrophobicContact CG2-CZ3 4.12Å
282	H	96	Very high	90.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.7	164	-55.8	117.5	0	0	0	109	C248 Y255 S261 W268 C269 D284 C285 S286	C248-H282 VanDerWaalsContact CB-CE1 3.42Å; C248-H282 WeakPolarHBondContact CB-CE1 3.33Å; C248-H282 WeakPolarHBondContact CB-ND1 3.45Å; C248-H282 PolarHBondContact SG-N 2.77Å; C248-H282 VanDerWaalsContact SG-N 3.38Å; C248-H282 PolarHBondContact SG-ND1 2.59Å; Y255-H282 AromaticContact CD1-CE1 3.82Å; Y255-H282 AromaticContact CD1-NE2 3.72Å; S261-H282 PolarHBondContact O-NE2 3.43Å; W268-H282 HydrophobicContact CE3-CB 4.24Å; W268-H282 PolarHBondContact O-CD2 3.42Å; C269-H282 WeakPolarHBondContact O-CA 3.41Å; H282-D284 VanDerWaalsContact C-N 3.27Å; H282-D284 PolarHBondContact O-N 2.88Å; H282-C285 HydrophobicContact CB-CB 3.99Å; H282-C285 WeakPolarHBondContact O-CB 3.11Å; H282-C285 PolarHBondContact O-N 2.89Å; H282-S286 PolarHBondContact O-N 3.43Å
283	R	94.2	Very high	89.5	Confident	38 Å²	38	64 Å²	64	14%	0.143	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-49.9	-179.6	-178.5	-178	-62.4	-73	-5.1	112.7	G266 R267 C269 I271 S287 L288 R289 S290 S292	G266-R283 PolarHBondContact O-NE 3.16Å; R267-R283 WeakPolarHBondContact O-CB 3.48Å; C269-R283 PolarHBondContact O-N 3.09Å; C269-R283 VanDerWaalsContact O-N 3.15Å; C269-R283 PolarHBondContact SG-NH2 3.49Å; I271-R283 HydrophobicContact CD1-CB 3.85Å; I271-R283 HydrophobicContact CD1-CG 4.12Å; R283-S287 PolarHBondContact O-N 3.25Å; R283-L288 HydrophobicContact CG-CB 3.93Å; R283-L288 PolarHBondContact O-N 3.38Å; R283-R289 PolarHBondContact NH1-O 3.37Å; R283-S290 PolarHBondContact NH1-O 2.97Å; R283-S292 PolarHBondContact NH1-O 3.26Å
284	D	93.5	Very high	89.2	Confident	60 Å²	60	71.8 Å²	71.8	32%	0.321	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-28.7	-178.6	-80.6	18.9	0	0	0	113.1	R267 W268 H282 S286 S287	R267-D284 HydrophobicContact CB-CB 4.44Å; R267-D284 VanDerWaalsContact CB-CG 3.48Å; R267-D284 WeakPolarHBondContact CB-OD1 3.44Å; R267-D284 WeakPolarHBondContact CB-OD2 3.36Å; R267-D284 PolarHBondContact O-N 2.85Å; W268-D284 HydrophobicContact CZ3-CB 4.21Å; H282-D284 VanDerWaalsContact C-N 3.27Å; H282-D284 PolarHBondContact O-N 2.88Å; D284-S286 PolarHBondContact O-N 3.48Å; D284-S287 PolarHBondContact O-N 2.97Å; D284-S287 VanDerWaalsContact O-N 3.08Å
285	C	94.5	Very high	89.2	Confident	18 Å²	18	70.5 Å²	70.5	12%	0.122	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.1	176.7	-68.6	0	0	0	0	112.7	A250 L254 H282	A250-C285 HydrophobicContact CB-CB 3.53Å; L254-C285 PolarHBondContact N-SG 3.5Å; H282-C285 HydrophobicContact CB-CB 3.99Å; H282-C285 WeakPolarHBondContact O-CB 3.11Å; H282-C285 PolarHBondContact O-N 2.89Å
286	S	90.9	Very high	89.2	Confident	38 Å²	38	69.7 Å²	69.7	27%	0.266	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.6	173	-66.9	0	0	0	0	114	T281 H282 D284 L288	T281-S286 WeakPolarHBondContact CB-OG 3.32Å; T281-S286 WeakPolarHBondContact CG2-OG 3.33Å; T281-S286 PolarHBondContact OG1-OG 3.38Å; H282-S286 PolarHBondContact O-N 3.43Å; D284-S286 PolarHBondContact O-N 3.48Å; S286-L288 PolarHBondContact O-N 3.08Å; S286-L288 VanDerWaalsContact O-N 3.1Å
287	S	88.4	Confident	89.3	Confident	110 Å²	110	67.6 Å²	67.6	77%	0.769	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	35.9	178.3	-59.7	0	0	0	0	113.6	R283 D284 R289	R283-S287 PolarHBondContact O-N 3.25Å; D284-S287 PolarHBondContact O-N 2.97Å; D284-S287 VanDerWaalsContact O-N 3.08Å; S287-R289 PolarHBondContact O-N 3.18Å
288	L	87.8	Confident	89.2	Confident	28 Å²	28	74.3 Å²	74.3	15%	0.147	38%	0.379	C	S	.	.			trans	-72.1	130.5	-178	-74.6	163.5	0	0	0	109.9	I271 T281 R283 S286 W295	I271-L288 HydrophobicContact CB-CD1 4.34Å; I271-L288 HydrophobicContact CD1-CD1 3.55Å; I271-L288 HydrophobicContact CG2-CD1 4.39Å; T281-L288 HydrophobicContact CG2-CD1 3.94Å; R283-L288 HydrophobicContact CG-CB 3.93Å; R283-L288 PolarHBondContact O-N 3.38Å; S286-L288 PolarHBondContact O-N 3.08Å; S286-L288 VanDerWaalsContact O-N 3.1Å; L288-W295 HydrophobicContact CD1-CB 3.79Å; L288-W295 HydrophobicContact CD1-CG 3.92Å; L288-W295 HydrophobicContact CD2-CB 4.09Å; L288-W295 HydrophobicContact CD2-CG 4.38Å
289	R	83	Confident	89.1	Confident	215 Å²	215	77.8 Å²	77.8	81%	0.811	39%	0.387	S	S	*	.			trans	-54.3	145.1	175.4	-62.8	-172.6	-179.6	-151	0.7	110.2	R283 S287 N291 S292	R283-R289 PolarHBondContact NH1-O 3.37Å; S287-R289 PolarHBondContact O-N 3.18Å; R289-N291 PolarHBondContact O-N 3.29Å; R289-S292 PolarHBondContact O-N 3Å
290	S	75.1	Confident	89.1	Confident	101 Å²	101	77.5 Å²	77.5	71%	0.706	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-28.1	-173.5	-47.5	0	0	0	0	114.4	R283	R283-S290 PolarHBondContact NH1-O 2.97Å
291	N	75	Confident	88.7	Confident	156 Å²	156	79 Å²	79	83%	0.834	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.6	180	-68.4	0.6	0	0	0	114.6	R289 K293	R289-N291 PolarHBondContact O-N 3.29Å; N291-K293 PolarHBondContact O-N 3.31Å
292	S	79.5	Confident	87.7	Confident	39 Å²	39	83.8 Å²	83.8	27%	0.273	43%	0.431	S	S	.	.			trans	-75.4	122.9	176.4	-166.1	0	0	0	0	110.1	R283 R289 K294	R283-S292 PolarHBondContact NH1-O 3.26Å; R289-S292 PolarHBondContact O-N 3Å; S292-K294 PolarHBondContact OG-N 2.83Å; S292-K294 PolarHBondContact OG-O 3.27Å
293	K	78.7	Confident	86.2	Confident	188 Å²	188	87.4 Å²	87.4	82%	0.817	46%	0.461	S	S	*	.			trans	-101	-6.9	169.8	-64.8	-173.3	179.2	-175.5	0	112.7	N291	N291-K293 PolarHBondContact O-N 3.31Å
294	K	89	Confident	84.4	Confident	166 Å²	166	88 Å²	88	72%	0.722	47%	0.474	S	S	*	.			trans	-106.3	128.1	-179.8	-65.8	-171.1	177.6	-171.5	0	109.1	S292	S292-K294 PolarHBondContact OG-N 2.83Å; S292-K294 PolarHBondContact OG-O 3.27Å
295	W	92.6	Very high	82.6	Confident	39 Å²	39	89.1 Å²	89.1	15%	0.148	49%	0.492	C	S	.	.			trans	-141.8	144.2	170.5	173.1	71.3	0	0	0	107.4	I271 C273 A274 H279 T281 L288 C297	I271-W295 HydrophobicContact CG2-CB 3.83Å; C273-W295 CarbonylContact C-O 3.55Å; C273-W295 WeakPolarHBondContact CA-O 3.39Å; C273-W295 HydrophobicContact CB-CE3 4.14Å; C273-W295 HydrophobicContact CB-CZ3 3.94Å; A274-W295 PolarHBondContact N-O 2.85Å; H279-W295 HydrophobicContact CB-CH2 4.09Å; H279-W295 HydrophobicContact CB-CZ3 4.14Å; T281-W295 HydrophobicContact CG2-CD2 3.44Å; T281-W295 VanDerWaalsContact CG2-CD2 3.44Å; T281-W295 VanDerWaalsContact CG2-CE2 3.45Å; T281-W295 HydrophobicContact CG2-CE3 3.79Å; T281-W295 HydrophobicContact CG2-CG 3.88Å; T281-W295 HydrophobicContact CG2-CH2 4.13Å; T281-W295 HydrophobicContact CG2-CZ2 3.81Å; T281-W295 HydrophobicContact CG2-CZ3 4.12Å; L288-W295 HydrophobicContact CD1-CB 3.79Å; L288-W295 HydrophobicContact CD1-CG 3.92Å; L288-W295 HydrophobicContact CD2-CB 4.09Å; L288-W295 HydrophobicContact CD2-CG 4.38Å; W295-C297 HydrophobicContact CH2-CB 3.82Å; W295-C297 HydrophobicContact CZ2-CB 4.21Å; W295-C297 HydrophobicContact CZ3-CB 4.33Å
296	E	93.7	Very high	80.6	Confident	76 Å²	76	93.6 Å²	93.6	36%	0.355	52%	0.519	S	S	.	.			trans	-123	135.7	176.2	-72.2	168.1	-173.2	0	0	107.3	S301 P302	E296-S301 PolarHBondContact O-OG 3.46Å; E296-P302 WeakPolarHBondContact OE2-CD 3.41Å
297	C	93.3	Very high	78.7	Confident	5 Å²	5	98.9 Å²	98.9	3%	0.034	54%	0.544	C	S	.	.			trans	-70.4	168.2	173.5	66.4	0	0	0	0	110.2	C273 H279 W295 E299 C300 S301	C273-C297 HydrophobicContact CB-CB 4.21Å; C273-C297 PolarHBondContact SG-N 3.39Å; H279-C297 HydrophobicContact CB-CB 3.63Å; W295-C297 HydrophobicContact CH2-CB 3.82Å; W295-C297 HydrophobicContact CZ2-CB 4.21Å; W295-C297 HydrophobicContact CZ3-CB 4.33Å; C297-E299 VanDerWaalsContact C-N 3.28Å; C297-E299 PolarHBondContact O-N 3.18Å; C297-C300 PolarHBondContact O-N 3.47Å; C297-C300 VanDerWaalsContact O-N 3.15Å; C297-C300 VanDerWaalsContact SG-SG 3.64Å; C297-S301 WeakPolarHBondContact O-CB 3.37Å; C297-S301 PolarHBondContact O-N 2.93Å; C297-S301 PolarHBondContact O-OG 3.14Å
298	E	91.2	Very high	76.7	Confident	170 Å²	170	103.7 Å²	103.7	79%	0.794	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-41.8	-178.9	-171.1	170.2	-170.7	0	0	112.3	C300 S301 A304	E298-C300 PolarHBondContact O-N 3.25Å; E298-S301 PolarHBondContact O-N 3.13Å; E298-A304 WeakPolarHBondContact O-CB 3.46Å
299	E	91.2	Very high	74.8	Confident	145 Å²	145	109.2 Å²	109.2	68%	0.678	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-32.5	179.2	-60.5	178.9	-178	0	0	113.9	H279 C297	H279-E299 IonicContact CE1-OE1 3.33Å; H279-E299 IonicContact CE1-OE2 3.64Å; H279-E299 PolarHBondContact CE1-OE2 2.75Å; C297-E299 VanDerWaalsContact C-N 3.28Å; C297-E299 PolarHBondContact O-N 3.18Å
300	C	92.8	Very high	72.8	Confident	36 Å²	36	104.8 Å²	104.8	24%	0.243	57%	0.574	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.3	-11.9	-179.9	-69.6	0	0	0	0	112.9	T275 C297 E298	T275-C300 HydrophobicContact CG2-CB 4.2Å; C297-C300 PolarHBondContact O-N 3.47Å; C297-C300 VanDerWaalsContact O-N 3.15Å; C297-C300 VanDerWaalsContact SG-SG 3.64Å; E298-C300 PolarHBondContact O-N 3.25Å
301	S	87.4	Confident	71.3	Confident	32 Å²	32	108.9 Å²	108.9	22%	0.224	58%	0.582	C	S	.	*	S	Bend	trans	-69.4	141.4	-179.4	-70	0	0	0	0	109.6	E296 C297 E298 A303 A304	E296-S301 PolarHBondContact O-OG 3.46Å; C297-S301 WeakPolarHBondContact O-CB 3.37Å; C297-S301 PolarHBondContact O-N 2.93Å; C297-S301 PolarHBondContact O-OG 3.14Å; E298-S301 PolarHBondContact O-N 3.13Å; S301-A303 PolarHBondContact O-N 3.47Å; S301-A304 PolarHBondContact O-N 2.69Å
302	P	75.2	Confident	69.7	Low	99 Å²	99	108.6 Å²	108.6	64%	0.643	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-54.6	-22.2	-179.7	-27.6	33.4	0	0	0	114.9	E296 A304 A305	E296-P302 WeakPolarHBondContact OE2-CD 3.41Å; P302-A304 VanDerWaalsContact C-N 3.28Å; P302-A304 PolarHBondContact O-N 3.11Å; P302-A305 WeakPolarHBondContact O-CB 3.45Å; P302-A305 PolarHBondContact O-N 3.01Å
303	A	63.9	Low	67.8	Low	76 Å²	76	112.1 Å²	112.1	63%	0.628	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-66.9	-24.4	177.2	0	0	0	0	0	113.8	S301 A305 T306	S301-A303 PolarHBondContact O-N 3.47Å; A303-A305 PolarHBondContact O-N 3.29Å; A303-T306 PolarHBondContact O-OG1 2.9Å
304	A	55.6	Low	65.9	Low	52 Å²	52	106.2 Å²	106.2	43%	0.43	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-73	-16.3	175.8	0	0	0	0	0	113	E298 S301 P302 T306	E298-A304 WeakPolarHBondContact O-CB 3.46Å; S301-A304 PolarHBondContact O-N 2.69Å; P302-A304 VanDerWaalsContact C-N 3.28Å; P302-A304 PolarHBondContact O-N 3.11Å; A304-T306 VanDerWaalsContact C-N 3.28Å; A304-T306 PolarHBondContact O-N 3.46Å
305	A	55.3	Low	63.5	Low	83 Å²	83	106.3 Å²	106.3	69%	0.686	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-78.3	-7.5	-177.2	0	0	0	0	0	114.2	P302 A303	P302-A305 WeakPolarHBondContact O-CB 3.45Å; P302-A305 PolarHBondContact O-N 3.01Å; A303-A305 PolarHBondContact O-N 3.29Å
306	T	53.9	Low	61.1	Low	111 Å²	111	111.5 Å²	111.5	68%	0.681	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-93.6	-5.5	-167.3	7.6	0	0	0	0	116.6	A303 A304	A303-T306 PolarHBondContact O-OG1 2.9Å; A304-T306 VanDerWaalsContact C-N 3.28Å; A304-T306 PolarHBondContact O-N 3.46Å
307	D	51.3	Low	58.4	Low	150 Å²	150	114.3 Å²	114.3	80%	0.802	66%	0.66	S	S	*	*			trans	-109.2	7.3	-174.6	-74.4	-21.8	0	0	0	115.8	I309	D307-I309 PolarHBondContact O-N 2.93Å
308	Y	45.3	Very low	55.9	Low	211 Å²	211	118.9 Å²	118.9	83%	0.827	69%	0.691	S	S	*	*			trans	-86.1	91.8	173.4	-100.9	-92.7	0	0	0	111.7	P310	Y308-P310 WeakPolarHBondContact O-CD 3.45Å
309	I	47.8	Very low	53.2	Low	144 Å²	144	117 Å²	117	74%	0.738	70%	0.695	S	S	*	*			trans	-81.8	115	155.7	-60.4	-172.8	0	0	0	107.2	D307 E311	D307-I309 PolarHBondContact O-N 2.93Å; I309-E311 HydrophobicContact CG2-CG 4.25Å; I309-E311 PolarHBondContact O-N 2.87Å; I309-E311 VanDerWaalsContact O-N 3.13Å
310	P	41.9	Very low	50.6	Low	122 Å²	122	114.7 Å²	114.7	79%	0.792	70%	0.695	S	S	*	*			trans	-79.3	98.9	173.7	3	14.5	0	0	0	108.5	Y308	Y308-P310 WeakPolarHBondContact O-CD 3.45Å
311	E	43.1	Very low	48	Very low	186 Å²	186	117.3 Å²	117.3	87%	0.869	71%	0.714	S	S	*	*			trans	-78.3	124.3	165	-71.4	-162.4	147.5	0	0	110.7	I309	I309-E311 HydrophobicContact CG2-CG 4.25Å; I309-E311 PolarHBondContact O-N 2.87Å; I309-E311 VanDerWaalsContact O-N 3.13Å
312	N	40.6	Very low	45.8	Very low	151 Å²	151	121 Å²	121	81%	0.807	74%	0.735	S	S	*	*			trans	-50.9	132.8	175.1	178.1	37	0	0	0	114.9
313	S	40.6	Very low	43.7	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	74%	0.743	S	S	*	*				141.8	132.5	129.2	66.9	0	0	0	0	115.1
314	G	38.7	Very low	42.3	Very low	64 Å²	64	128.4 Å²	128.4	66%	0.66	75%	0.745	S	S	*	*			trans	113.4	83.2	154.2	0	0	0	0	0	118.2
315	D	37.3	Very low	41.2	Very low	168 Å²	168	131.9 Å²	131.9	90%	0.898	76%	0.763	S	S	*	*			trans	29.5	92.8	142.4	-56.9	-39.8	0	0	0	120.1
316	I	43.2	Very low	40	Very low	148 Å²	148	135.3 Å²	135.3	76%	0.759	77%	0.765	S	S	*	*			trans	-144.5	122.1	154.8	-54.4	179.2	0	0	0	109.5	C318	I316-C318 PolarHBondContact O-N 3.38Å
317	P	38	Very low	39.1	Very low	136 Å²	136	138.7 Å²	138.7	88%	0.883	77%	0.773	S	S	*	*			trans	-78	93.4	172.2	29.7	-27.5	0	0	0	109.3
318	C	38.8	Very low	38.3	Very low	101 Å²	101	138.8 Å²	138.8	68%	0.682	77%	0.769	S	S	*	*			trans	-92	127.1	172.6	-167.8	0	0	0	0	110.2	I316 S320	I316-C318 PolarHBondContact O-N 3.38Å; C318-S320 VanDerWaalsContact C-N 3.31Å; C318-S320 PolarHBondContact O-N 3.5Å
319	C	34.7	Very low	37.6	Very low	129 Å²	129	138.1 Å²	138.1	87%	0.872	77%	0.77	S	S	*	*			trans	-64.9	85.7	170.3	-86.6	0	0	0	0	110.8	S321	C319-S321 PolarHBondContact O-N 2.96Å
320	S	36.6	Very low	36.8	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	77%	0.771	S	S	*	*			trans	-85.8	90.3	168	-58.3	0	0	0	0	109.4	C318 T322	C318-S320 VanDerWaalsContact C-N 3.31Å; C318-S320 PolarHBondContact O-N 3.5Å; S320-T322 PolarHBondContact O-N 3.1Å
321	S	39.1	Very low	36.1	Very low	92 Å²	92	141.6 Å²	141.6	64%	0.643	77%	0.774	S	S	*	*			trans	-89	91.3	158.5	50.6	0	0	0	0	108.1	C319 F323	C319-S321 PolarHBondContact O-N 2.96Å; S321-F323 PolarHBondContact O-N 3.08Å; S321-F323 VanDerWaalsContact O-N 3.11Å
322	T	40.4	Very low	35.6	Very low	109 Å²	109	139.6 Å²	139.6	67%	0.669	77%	0.77	S	S	*	*			trans	-63.1	107.3	167.1	-44.2	0	0	0	0	107.6	S320 H324	S320-T322 PolarHBondContact O-N 3.1Å; T322-H324 PolarHBondContact O-N 2.71Å; T322-H324 VanDerWaalsContact O-N 3.14Å
323	F	32.3	Very low	34.9	Very low	185 Å²	185	139.2 Å²	139.2	81%	0.811	77%	0.768	S	S	*	*			trans	-71	100.9	169.2	-85.9	-98.9	0	0	0	108.4	S321	S321-F323 PolarHBondContact O-N 3.08Å; S321-F323 VanDerWaalsContact O-N 3.11Å
324	H	34.3	Very low	34.6	Very low	146 Å²	146	140.1 Å²	140.1	68%	0.676	77%	0.769	S	S	*	*			trans	-91.2	117.3	156.9	-81.2	-83.2	0	0	0	108	T322 E326	T322-H324 PolarHBondContact O-N 2.71Å; T322-H324 VanDerWaalsContact O-N 3.14Å; H324-E326 PolarHBondContact O-N 3.49Å; H324-E326 VanDerWaalsContact O-N 3.08Å
325	P	31.3	Very low	34.2	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	78%	0.775	S	S	*	*			trans	-80.2	79.7	165.5	31.7	-27.4	0	0	0	108.1
326	E	31.8	Very low	34.1	Very low	154 Å²	154	145.5 Å²	145.5	72%	0.72	78%	0.775	S	S	*	*			trans	-106.7	82.1	159	-76	-167.8	155.7	0	0	107.8	H324 H328	H324-E326 PolarHBondContact O-N 3.49Å; H324-E326 VanDerWaalsContact O-N 3.08Å; E326-H328 PolarHBondContact O-N 2.86Å
327	E	33.3	Very low	33.5	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	78%	0.777	S	S	*	*			trans	-71.6	86.8	163.8	-73.6	-166.7	154.6	0	0	108.8	F329	E327-F329 PolarHBondContact O-N 3.3Å; E327-F329 VanDerWaalsContact O-N 3.16Å
328	H	36	Very low	33.4	Very low	153 Å²	153	147.1 Å²	147.1	71%	0.708	77%	0.772	S	S	*	*			trans	-67.1	107	157.3	-91.7	-89.6	0	0	0	108.5	E326 C330	E326-H328 PolarHBondContact O-N 2.86Å; H328-C330 VanDerWaalsContact C-N 3.3Å; H328-C330 PolarHBondContact O-N 3.37Å
329	F	29.1	Very low	33.1	Very low	196 Å²	196	148.1 Å²	148.1	86%	0.86	78%	0.778	S	S	*	*			trans	-52.4	91	161.3	-104.4	-99.2	0	0	0	109.7	E327 R331	E327-F329 PolarHBondContact O-N 3.3Å; E327-F329 VanDerWaalsContact O-N 3.16Å; F329-R331 PolarHBondContact O-N 3.15Å
330	C	32	Very low	33.1	Very low	112 Å²	112	145 Å²	145	76%	0.757	77%	0.768	S	S	*	*			trans	-90.2	98	165.9	-85.3	0	0	0	0	109	H328 D332	H328-C330 VanDerWaalsContact C-N 3.3Å; H328-C330 PolarHBondContact O-N 3.37Å; C330-D332 VanDerWaalsContact C-N 3.34Å; C330-D332 PolarHBondContact O-N 3.43Å; C330-D332 VanDerWaalsContact O-N 3.09Å
331	R	26.8	Very low	33.1	Very low	227 Å²	227	145.5 Å²	145.5	86%	0.857	76%	0.762	S	S	*	*			trans	-72.9	85.1	170.3	-164.5	-177	-167.4	-173.7	4.5	108.3	F329	F329-R331 PolarHBondContact O-N 3.15Å
332	D	32.2	Very low	32.5	Very low	145 Å²	145	145.7 Å²	145.7	78%	0.775	76%	0.763	S	S	*	*			trans	-94.6	105.5	173.2	-115	-26.6	0	0	0	110.8	C330 T334	C330-D332 VanDerWaalsContact C-N 3.34Å; C330-D332 PolarHBondContact O-N 3.43Å; C330-D332 VanDerWaalsContact O-N 3.09Å; D332-T334 PolarHBondContact O-N 3.05Å; D332-T334 VanDerWaalsContact O-N 3.16Å
333	N	27.7	Very low	32.2	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	77%	0.768	S	S	*	*			trans	-71.5	94.8	169	-86.4	-9.8	0	0	0	108.9
334	T	34.2	Very low	32	Very low	131 Å²	131	146.6 Å²	146.6	80%	0.804	76%	0.761	S	S	*	*			trans	-133.9	106.6	152.6	26.4	0	0	0	0	109	D332 E336	D332-T334 PolarHBondContact O-N 3.05Å; D332-T334 VanDerWaalsContact O-N 3.16Å; T334-E336 PolarHBondContact O-N 2.92Å
335	L	30.1	Very low	31.7	Very low	150 Å²	150	147.2 Å²	147.2	79%	0.785	77%	0.77	S	S	*	*			trans	-83.3	101.4	-170.2	-156.2	117.5	0	0	0	109	E337	L335-E337 HydrophobicContact CD2-CG 4.32Å; L335-E337 HydrophobicContact CG-CG 4.44Å
336	E	34.8	Very low	31.7	Very low	194 Å²	194	152.6 Å²	152.6	91%	0.907	77%	0.774	S	S	*	*			trans	-128.7	104.8	148.6	-80.8	-143.2	151.1	0	0	108.1	T334 N338	T334-E336 PolarHBondContact O-N 2.92Å; E336-N338 PolarHBondContact O-N 3.25Å
337	E	29.8	Very low	31.7	Very low	171 Å²	171	150.7 Å²	150.7	80%	0.799	78%	0.775	S	S	*	*			trans	-66.6	119	-175.7	-64.1	178.5	124.3	0	0	111.2	L335	L335-E337 HydrophobicContact CD2-CG 4.32Å; L335-E337 HydrophobicContact CG-CG 4.44Å
338	N	36.8	Very low	31.4	Very low	148 Å²	148	150.6 Å²	150.6	79%	0.791	78%	0.775	S	S	*	*			trans	-122.6	117.9	154.3	-110.5	-58.3	0	0	0	107.4	E336 G340	E336-N338 PolarHBondContact O-N 3.25Å; N338-G340 PolarHBondContact O-N 3.41Å
339	P	31.3	Very low	31.4	Very low	122 Å²	122	149 Å²	149	79%	0.792	78%	0.778	S	S	*	*			trans	-81	86.6	-178	31	-30.1	0	0	0	109.9
340	G	36.2	Very low	31.5	Very low	64 Å²	64	144.9 Å²	144.9	66%	0.66	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-100.6	119.4	162.6	0	0	0	0	0	109.4	N338	N338-G340 PolarHBondContact O-N 3.41Å
341	L	35.4	Very low	31.4	Very low	106 Å²	106	148 Å²	148	56%	0.555	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.9	137.9	-165.9	-79.9	99.5	0	0	0	115.1	S74	S74-L341 WeakPolarHBondContact OG-CD1 3.36Å; S74-L341 WeakPolarHBondContact OG-CD2 3.32Å
342	S	27.7	Very low	31.8	Very low	97 Å²	97	145 Å²	145	68%	0.678	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.6	126.2	153.6	165.8	0	0	0	0	110.1	T344	S342-T344 PolarHBondContact OG-OG1 2.97Å
343	W	33.6	Very low	31.7	Very low	202 Å²	202	147.1 Å²	147.1	77%	0.765	79%	0.787	S	S	*	*			trans	-93.6	93.7	172.7	-69.7	82	0	0	0	109.2
344	T	26.9	Very low	31.8	Very low	110 Å²	110	149.9 Å²	149.9	68%	0.675	79%	0.792	S	S	*	*			trans	-134.9	102.3	161.8	28.3	0	0	0	0	106.2	S342	S342-T344 PolarHBondContact OG-OG1 2.97Å
345	D	29.3	Very low	31.8	Very low	160 Å²	160	149.4 Å²	149.4	86%	0.856	79%	0.792	S	S	*	*			trans	158.5	88.9	152.6	-82.5	-17.9	0	0	0	109.5
346	W	30.5	Very low	31.7	Very low	238 Å²	238	151.7 Å²	151.7	90%	0.902	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-85.3	123.4	158.2	-77.4	94.2	0	0	0	108	E348	W346-E348 PolarHBondContact O-N 3.4Å
347	P	31.7	Very low	31.8	Very low	114 Å²	114	147.7 Å²	147.7	74%	0.74	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.7	121.5	165	7.2	8.4	0	0	0	108.6
348	E	27.8	Very low	32.1	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-54.2	135.2	169.9	-158.3	179.1	-179.7	0	0	110.5	W346 S350	W346-E348 PolarHBondContact O-N 3.4Å; E348-S350 PolarHBondContact O-N 3.38Å; E348-S350 VanDerWaalsContact O-N 3.15Å
349	P	35.5	Very low	31.9	Very low	119 Å²	119	149.4 Å²	149.4	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.4	116.4	177.9	-18.2	30.7	0	0	0	111.2	L351	P349-L351 PolarHBondContact O-N 2.95Å
350	S	31.3	Very low	31.9	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-47.6	122.2	168.5	49.3	0	0	0	0	112.1	E348 L352	E348-S350 PolarHBondContact O-N 3.38Å; E348-S350 VanDerWaalsContact O-N 3.15Å; S350-L352 PolarHBondContact O-N 3.23Å
351	L	30.8	Very low	31.5	Very low	176 Å²	176	156.4 Å²	156.4	92%	0.921	81%	0.811	S	S	*	*			trans	-59	115.5	170.8	-67.9	170.4	0	0	0	110.2	P349	P349-L351 PolarHBondContact O-N 2.95Å
352	L	33.9	Very low	31.3	Very low	166 Å²	166	161.7 Å²	161.7	87%	0.869	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-88.5	132.3	168.6	-148.1	95.9	0	0	0	109.6	S350	S350-L352 PolarHBondContact O-N 3.23Å
353	E	30.6	Very low	31.4	Very low	188 Å²	188	162.7 Å²	162.7	88%	0.879	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-55.4	140.7	-171.2	-59.6	178	129.2	0	0	114.7
354	K	29.1	Very low	31.3	Very low	201 Å²	201	162.4 Å²	162.4	87%	0.874	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-96.4	132.4	163.5	-82.3	-178.8	176.2	174.3	0	109.4
355	P	34.3	Very low	31.5	Very low	122 Å²	122	162.3 Å²	162.3	79%	0.792	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79.1	147.1	170.6	32.4	-32.2	0	0	0	111.5
356	E	28.6	Very low	31.4	Very low	198 Å²	198	166.2 Å²	166.2	93%	0.925	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-64.7	135.8	-176.7	-57	176.6	123.6	0	0	113
357	S	36.6	Very low	31.4	Very low	109 Å²	109	165.9 Å²	165.9	76%	0.762	84%	0.836	S	S	*	*			trans	-154.6	108.3	146.2	58.5	0	0	0	0	111.9
358	S	35.6	Very low	31.5	Very low	102 Å²	102	166 Å²	166	71%	0.713	84%	0.839	S	S	*	*			trans	27.8	125.7	142	59	0	0	0	0	122
359	R	32.6	Very low	31.7	Very low	253 Å²	253	167 Å²	167	96%	0.955	84%	0.841	S	S	*	*			trans	77.2	117.1	142.8	-67.4	178.7	178.8	-140.6	0.4	118.8
360	G	31.6	Very low	31.5	Very low	80 Å²	80	165 Å²	165	83%	0.825	84%	0.842	S	S	*	*			trans	146.9	91.6	151.5	0	0	0	0	0	114.8	R362	G360-R362 PolarHBondContact O-N 3.13Å
361	R	28	Very low	31.5	Very low	253 Å²	253	166 Å²	166	96%	0.955	84%	0.843	S	S	*	*			trans	-68.2	118.8	174.5	-171.6	-173.6	-77.5	-145.2	-0.8	110.3
362	R	32	Very low	31.6	Very low	217 Å²	217	169 Å²	169	82%	0.819	84%	0.842	S	S	*	*			trans	-157.1	124.6	157.6	-107.7	178.5	-155.5	-151.1	3.9	111.3	G360	G360-R362 PolarHBondContact O-N 3.13Å
363	S	29.2	Very low	31.8	Very low	119 Å²	119	168.1 Å²	168.1	83%	0.832	84%	0.837	S	S	*	*			trans	-68.8	133.4	170.8	50.3	0	0	0	0	111.1
364	Y	30.4	Very low	32.1	Very low	196 Å²	196	165.1 Å²	165.1	77%	0.769	83%	0.832	S	S	*	*			trans	-112.3	110.2	171.2	-79	-84.9	0	0	0	110.1
365	S	32.4	Very low	32.7	Very low	107 Å²	107	163.3 Å²	163.3	75%	0.748	83%	0.831	S	S	*	*			trans	-77.1	127.3	162.8	70.4	0	0	0	0	109
366	W	27.3	Very low	33	Very low	242 Å²	242	162.7 Å²	162.7	92%	0.917	83%	0.83	S	S	*	*			trans	-80.7	120.6	170.4	-78.6	49.8	0	0	0	109
367	R	30.1	Very low	33.4	Very low	232 Å²	232	159.4 Å²	159.4	88%	0.875	83%	0.827	S	S	*	*			trans	-120.2	102.9	173.1	-160.6	-174.6	-97.1	-106.6	5.7	107.1
368	S	34	Very low	33.8	Very low	115 Å²	115	163.6 Å²	163.6	80%	0.804	83%	0.832	S	S	*	*			trans	-67.2	127.5	176.6	-62.7	0	0	0	0	110.1
369	K	32.6	Very low	33.9	Very low	203 Å²	203	168.7 Å²	168.7	88%	0.883	84%	0.841	S	S	*	*			trans	-85.5	114	173.3	-75.5	179	176.8	176.7	0	109
370	G	30.8	Very low	34.7	Very low	77 Å²	77	162.1 Å²	162.1	79%	0.794	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.2	133.1	167.3	0	0	0	0	0	111.6
371	V	31.4	Very low	35.4	Very low	131 Å²	131	171.7 Å²	171.7	79%	0.794	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-82	123.9	171.4	172.3	0	0	0	0	108.4	I373	V371-I373 HydrophobicContact CG1-CG1 4.48Å
372	R	33	Very low	35.8	Very low	237 Å²	237	167.6 Å²	167.6	89%	0.894	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-89.2	122.6	169.1	-76.5	-175.8	-176.8	-177.2	0.4	109.4
373	I	36.8	Very low	36	Very low	148 Å²	148	165 Å²	165	76%	0.759	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-97.4	118.1	165.4	-60.2	174.5	0	0	0	107.5	V371	V371-I373 HydrophobicContact CG1-CG1 4.48Å
374	T	37.4	Very low	36.4	Very low	126 Å²	126	167.6 Å²	167.6	77%	0.773	85%	0.85	S	S	*	*			trans	-94.4	114.3	173.6	51	0	0	0	0	109.8
375	N	41.6	Very low	36.7	Very low	162 Å²	162	165.9 Å²	165.9	87%	0.866	86%	0.855	S	S	*	*			trans	-85.3	109	166.8	-82.5	-18.7	0	0	0	109.7
376	S	40.4	Very low	37	Very low	109 Å²	109	169.6 Å²	169.6	76%	0.762	86%	0.861	S	S	*	*			trans	-90	109.3	166.7	58.8	0	0	0	0	109.7
377	C	37.2	Very low	37.6	Very low	129 Å²	129	164.7 Å²	164.7	87%	0.872	86%	0.858	S	S	*	*			trans	-82	113.8	169	-162.2	0	0	0	0	109
378	K	44.6	Very low	38.2	Very low	197 Å²	197	159.9 Å²	159.9	86%	0.857	86%	0.856	S	S	*	*			trans	-92.7	111.3	166.8	-84.2	-177.5	175.9	176.1	0	108.6
379	K	38	Very low	38.5	Very low	210 Å²	210	163.4 Å²	163.4	91%	0.913	86%	0.86	S	S	*	*			trans	-69.6	132.2	155.8	-92.5	-179.7	173.5	178.3	0	108.6
380	S	49.1	Very low	39	Very low	114 Å²	114	160.1 Å²	160.1	80%	0.797	86%	0.859	S	S	*	*			trans	-118.5	121.8	164.1	-169.5	0	0	0	0	107.8
381	K	47.4	Very low	39.7	Very low	281 Å²	281	167.6 Å²	167.6	100%	1.222	86%	0.864	S	S	*	*			trans	40.3	0	168.7	-76.8	-176.3	174.6	-178.3	0	119.6

Retrieved 381 of 381 residues in 969.2 ms (Link to these results)

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