A0A077ZJN0_TRITR Loading...

Lipoyl synthase, mitochondrial

Catalyzes the radical-mediated insertion of two sulfur atoms into the C-6 and C-8 positions of the octanoyl moiety bound to the lipoyl domains of lipoate-dependent enzymes, thereby converting the octanoylated domains into lipoylated derivatives.

AlphaFold DB , UniProt , Accession A0A077ZJN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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	34.1	Very low	30.2	Very low	236 Å²	236	162.3 Å²	162.3	100%	1.163	79%	0.787	S	S	*	*				0	145.8	0	-81.6	-174.2	174.5	0	0	108.7
2	L	34.1	Very low	30.2	Very low	153 Å²	153	165.7 Å²	165.7	80%	0.801	80%	0.795	S	S	*	*			trans	96.9	84.8	175.4	-58.8	146.8	0	0	0	114
3	R	31.1	Very low	29.6	Very low	213 Å²	213	160.5 Å²	160.5	80%	0.804	78%	0.78	S	S	*	*				79.1	90.1	93.5	-77.5	-177.5	-170.8	-164.4	-0.4	110.9
4	S	26.1	Very low	29.3	Very low	98 Å²	98	161.3 Å²	161.3	69%	0.685	78%	0.781	S	S	*	*				31.1	102.6	76.7	-172.7	0	0	0	0	113.6
5	R	35.2	Very low	29.6	Very low	237 Å²	237	158.3 Å²	158.3	89%	0.894	78%	0.779	S	S	*	*			trans	-129.9	106.6	155.9	-81.2	-169.4	176	-162.7	0.1	108.2
6	F	24.7	Very low	29.3	Very low	171 Å²	171	158.5 Å²	158.5	75%	0.75	78%	0.782	S	S	*	*			trans	-85.2	151.1	172.2	-105.5	-109.3	0	0	0	110.8
7	I	28.8	Very low	29.1	Very low	132 Å²	132	155.2 Å²	155.2	68%	0.677	78%	0.777	S	S	*	*			trans	74.8	151.2	143.7	-71.6	166.8	0	0	0	118.3
8	P	35.7	Very low	28.8	Very low	104 Å²	104	153 Å²	153	68%	0.675	78%	0.779	S	S	*	*			cis	-125.1	148.9	10.3	16.3	8.8	0	0	0	115.5
9	Q	25.3	Very low	29	Very low	156 Å²	156	152.7 Å²	152.7	73%	0.729	78%	0.778	S	S	*	*				48.6	98.7	83.3	-88.1	-171.9	-3.4	0	0	115.5
10	I	32.1	Very low	28.9	Very low	163 Å²	163	149.3 Å²	149.3	84%	0.836	77%	0.774	S	S	*	*			trans	-116.9	98	148.5	-67.1	177.3	0	0	0	107.2
11	L	24.6	Very low	28.9	Very low	122 Å²	122	150.4 Å²	150.4	64%	0.639	78%	0.78	S	S	*	*			trans	-70.7	122.9	160.6	-86.2	134.3	0	0	0	108.6	T13	L11-T13 HydrophobicContact CD2-CG2 4.07Å
12	K	30.1	Very low	28.7	Very low	203 Å²	203	143.6 Å²	143.6	88%	0.883	76%	0.755	S	S	*	*			trans	-131.3	108.3	146.9	-77.2	-168	178.4	179.9	0	108.5
13	T	22.4	Very low	28.3	Very low	99 Å²	99	139.7 Å²	139.7	61%	0.607	75%	0.752	S	S	*	*			trans	-86.5	146.2	176.1	42.9	0	0	0	0	111.3	L11	L11-T13 HydrophobicContact CD2-CG2 4.07Å
14	H	25.3	Very low	28.2	Very low	171 Å²	171	139.7 Å²	139.7	79%	0.792	75%	0.752	S	S	*	*			trans	87.6	149.7	156.9	-61.5	-53.7	0	0	0	120.4
15	P	33.8	Very low	28.4	Very low	116 Å²	116	140.7 Å²	140.7	75%	0.753	76%	0.756	S	S	*	*			cis	-121.3	164.2	-7.2	29.3	-9.2	0	0	0	114.3	C17	P15-C17 PolarHBondContact O-N 3.04Å
16	I	25.5	Very low	28.3	Very low	162 Å²	162	138.6 Å²	138.6	83%	0.831	75%	0.754	S	S	*	*			trans	-51.2	103.3	171.6	-62.3	156.4	0	0	0	109.4
17	C	26.1	Very low	28.6	Very low	102 Å²	102	134.7 Å²	134.7	69%	0.689	75%	0.748	S	S	*	*			trans	-94.6	96.6	166.1	-158.2	0	0	0	0	107.5	P15 L19	P15-C17 PolarHBondContact O-N 3.04Å; C17-L19 PolarHBondContact O-N 3.43Å
18	S	23.9	Very low	28.8	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	75%	0.751	S	S	*	*			trans	-66.1	76	168.7	-175.4	0	0	0	0	109.1	A20	S18-A20 PolarHBondContact O-N 2.85Å
19	L	31.2	Very low	28.6	Very low	147 Å²	147	135.5 Å²	135.5	77%	0.77	75%	0.751	S	S	*	*			trans	-89.8	100.9	170.1	-96	150.5	0	0	0	108	C17 I21	C17-L19 PolarHBondContact O-N 3.43Å; L19-I21 PolarHBondContact O-N 2.78Å
20	A	27.7	Very low	29	Very low	84 Å²	84	133.6 Å²	133.6	69%	0.694	74%	0.744	S	S	*	*			trans	-38.7	134.3	172.2	0	0	0	0	0	111.9	S18 S22	S18-A20 PolarHBondContact O-N 2.85Å; A20-S22 PolarHBondContact O-N 3.49Å
21	I	28.7	Very low	29.2	Very low	173 Å²	173	130 Å²	130	89%	0.887	73%	0.727	S	S	*	*			trans	-59.5	85.8	165.9	-59.6	165.3	0	0	0	106.9	L19 G23	L19-I21 PolarHBondContact O-N 2.78Å; I21-G23 PolarHBondContact O-N 3.19Å
22	S	29.8	Very low	29.8	Very low	93 Å²	93	128.4 Å²	128.4	65%	0.65	72%	0.724	S	S	*	*			trans	-80.3	94.5	166.3	69.3	0	0	0	0	106.7	A20 R24	A20-S22 PolarHBondContact O-N 3.49Å; S22-R24 VanDerWaalsContact C-N 3.29Å; S22-R24 PolarHBondContact O-N 3.18Å
23	G	26.8	Very low	30.2	Very low	71 Å²	71	123.5 Å²	123.5	73%	0.732	72%	0.715	S	S	*	*			trans	-60.1	93.2	165.7	0	0	0	0	0	109.2	I21	I21-G23 PolarHBondContact O-N 3.19Å
24	R	28.3	Very low	31.3	Very low	213 Å²	213	122.8 Å²	122.8	80%	0.804	71%	0.714	S	S	*	*			trans	-88.3	123.7	161.1	-72.8	-171.2	-171.2	-140.8	1.9	107.1	S22 F26	S22-R24 VanDerWaalsContact C-N 3.29Å; S22-R24 PolarHBondContact O-N 3.18Å; R24-F26 PolarHBondContact O-N 3.37Å; R24-F26 VanDerWaalsContact O-N 3.14Å
25	P	31.2	Very low	32.3	Very low	120 Å²	120	116.1 Å²	116.1	78%	0.779	69%	0.686	S	S	*	*			trans	-61.9	119.6	170.9	25.1	-29.5	0	0	0	107.6	S27	P25-S27 PolarHBondContact O-N 2.89Å
26	F	32.5	Very low	32.7	Very low	193 Å²	193	111.9 Å²	111.9	85%	0.846	66%	0.664	S	S	*	*			trans	-57.9	103.8	172.7	-105	-101.8	0	0	0	108.3	R24	R24-F26 PolarHBondContact O-N 3.37Å; R24-F26 VanDerWaalsContact O-N 3.14Å
27	S	29.9	Very low	33.8	Very low	89 Å²	89	105.2 Å²	105.2	62%	0.622	63%	0.632	S	S	*	*			trans	-83.1	113.5	162.7	67.3	0	0	0	0	107.4	P25 T29	P25-S27 PolarHBondContact O-N 2.89Å; S27-T29 PolarHBondContact O-N 2.88Å; S27-T29 PolarHBondContact O-OG1 3.39Å; S27-T29 PolarHBondContact OG-OG1 3.09Å
28	I	34.5	Very low	35	Very low	144 Å²	144	110 Å²	110	74%	0.738	64%	0.641	S	S	*	*			trans	-64.2	96.3	162	-60.9	174.1	0	0	0	105.8	I30	I28-I30 HydrophobicContact CG2-CG1 4.31Å; I28-I30 PolarHBondContact O-N 3.2Å
29	T	31	Very low	36.7	Very low	109 Å²	109	112.4 Å²	112.4	67%	0.669	64%	0.64	S	S	*	*			trans	-87.8	96.5	176.2	-38.2	0	0	0	0	105	S27 D31	S27-T29 PolarHBondContact O-N 2.88Å; S27-T29 PolarHBondContact O-OG1 3.39Å; S27-T29 PolarHBondContact OG-OG1 3.09Å; T29-D31 PolarHBondContact O-N 3.46Å; T29-D31 VanDerWaalsContact O-N 3.13Å
30	I	33.9	Very low	38.6	Very low	115 Å²	115	107.5 Å²	107.5	59%	0.59	61%	0.612	S	S	*	*			trans	-63.9	114.8	169.3	-58.6	174.7	0	0	0	106.1	I28 P32	I28-I30 HydrophobicContact CG2-CG1 4.31Å; I28-I30 PolarHBondContact O-N 3.2Å; I30-P32 WeakPolarHBondContact O-CD 3.34Å
31	D	35.1	Very low	40.8	Very low	89 Å²	89	111.5 Å²	111.5	48%	0.476	62%	0.621	S	S	.	*			trans	-57.4	118.7	180	-176.2	-15.4	0	0	0	109.9	T29 S33 S34	T29-D31 PolarHBondContact O-N 3.46Å; T29-D31 VanDerWaalsContact O-N 3.13Å; D31-S33 PolarHBondContact O-N 3.27Å; D31-S33 VanDerWaalsContact O-N 3.13Å; D31-S33 WeakPolarHBondContact OD1-CB 3.35Å; D31-S33 PolarHBondContact OD1-N 3.44Å; D31-S33 PolarHBondContact OD1-OG 3.37Å; D31-S33 PolarHBondContact OD2-OG 3.19Å; D31-S34 WeakPolarHBondContact O-CB 3.37Å; D31-S34 PolarHBondContact O-N 3Å; D31-S34 PolarHBondContact O-OG 3.33Å
32	P	37.3	Very low	43.2	Very low	88 Å²	88	104.6 Å²	104.6	57%	0.571	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-59.5	-23.9	179.4	-20.8	30.9	0	0	0	113.6	I30 S34 C35	I30-P32 WeakPolarHBondContact O-CD 3.34Å; P32-S34 PolarHBondContact O-N 3Å; P32-C35 WeakPolarHBondContact O-CB 3.3Å; P32-C35 PolarHBondContact O-N 3.37Å
33	S	40	Very low	45.9	Very low	100 Å²	100	105.3 Å²	105.3	70%	0.699	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-71.3	-20.1	177.5	72.1	0	0	0	0	113	D31	D31-S33 PolarHBondContact O-N 3.27Å; D31-S33 VanDerWaalsContact O-N 3.13Å; D31-S33 WeakPolarHBondContact OD1-CB 3.35Å; D31-S33 PolarHBondContact OD1-N 3.44Å; D31-S33 PolarHBondContact OD1-OG 3.37Å; D31-S33 PolarHBondContact OD2-OG 3.19Å
34	S	44.5	Very low	48.9	Very low	83 Å²	83	104.1 Å²	104.1	58%	0.58	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-80.4	-16.3	171.5	74.2	0	0	0	0	113.3	D31 P32 G36	D31-S34 WeakPolarHBondContact O-CB 3.37Å; D31-S34 PolarHBondContact O-N 3Å; D31-S34 PolarHBondContact O-OG 3.33Å; P32-S34 PolarHBondContact O-N 3Å; S34-G36 PolarHBondContact O-N 2.91Å
35	C	45.7	Very low	51.9	Low	31 Å²	31	100.1 Å²	100.1	21%	0.209	55%	0.549	C	S	.	.			trans	-83.2	98.9	175.8	-68.3	0	0	0	0	109.5	P32 A37 P308	P32-C35 WeakPolarHBondContact O-CB 3.3Å; P32-C35 PolarHBondContact O-N 3.37Å; C35-A37 PolarHBondContact O-N 3.18Å; C35-P308 HydrophobicContact CB-CB 4.4Å; C35-P308 HydrophobicContact CB-CG 4.42Å
36	G	42.1	Very low	54.8	Low	28 Å²	28	95.5 Å²	95.5	29%	0.289	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-61.2	20	175.3	0	0	0	0	0	116.2	S34 K38 Q39	S34-G36 PolarHBondContact O-N 2.91Å; G36-K38 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 2.94Å; G36-Q39 PolarHBondContact O-N 3.46Å
37	A	50.2	Low	57.4	Low	21 Å²	21	91.2 Å²	91.2	17%	0.174	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-62.4	-36.2	176.4	0	0	0	0	0	112.3	C35 Q39 Y40 W58 P308 E309	C35-A37 PolarHBondContact O-N 3.18Å; A37-Q39 PolarHBondContact O-N 3.02Å; A37-Q39 VanDerWaalsContact O-N 3.16Å; A37-Y40 PolarHBondContact O-N 3.23Å; A37-W58 HydrophobicContact CB-CE3 4.42Å; A37-W58 HydrophobicContact CB-CZ3 4.3Å; A37-P308 HydrophobicContact CB-CG 4.22Å; A37-E309 WeakPolarHBondContact CB-OE1 3.3Å
38	K	50.1	Low	59.9	Low	202 Å²	202	96.7 Å²	96.7	88%	0.878	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-68.7	-8.4	178.6	-72.3	-170.6	178.8	-179.3	0	114.9	G36	G36-K38 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 2.94Å
39	Q	59.2	Low	62.1	Low	168 Å²	168	94 Å²	94	79%	0.785	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-121	10.5	-177.5	-77.1	-178.7	-17.6	0	0	113.6	G36 A37 D41	G36-Q39 PolarHBondContact O-N 3.46Å; A37-Q39 PolarHBondContact O-N 3.02Å; A37-Q39 VanDerWaalsContact O-N 3.16Å; Q39-D41 PolarHBondContact O-N 3.34Å
40	Y	72.2	Confident	64.6	Low	44 Å²	44	91.9 Å²	91.9	17%	0.173	51%	0.507	C	S	.	.			trans	-92.4	101	179.7	-174.7	-108.8	0	0	0	111.7	A37 G42 L44 H54 P56 P57 W58	A37-Y40 PolarHBondContact O-N 3.23Å; Y40-G42 WeakPolarHBondContact CD1-O 3.5Å; Y40-G42 VanDerWaalsContact CE1-CA 3.44Å; Y40-G42 WeakPolarHBondContact CE1-O 3.37Å; Y40-G42 VanDerWaalsContact CZ-CA 3.46Å; Y40-G42 PolarHBondContact O-N 3.46Å; Y40-L44 HydrophobicContact CD1-CD2 3.67Å; Y40-L44 HydrophobicContact CD1-CG 4.37Å; Y40-L44 HydrophobicContact CE1-CD2 3.53Å; Y40-L44 HydrophobicContact CE1-CG 4.31Å; Y40-H54 PolarHBondContact OH-O 3.47Å; Y40-H54 VanDerWaalsContact OH-O 3.05Å; Y40-P56 HydrophobicContact CD1-CB 4.24Å; Y40-P56 HydrophobicContact CD2-CB 4.12Å; Y40-P56 HydrophobicContact CE1-CB 4.04Å; Y40-P56 HydrophobicContact CE2-CB 3.93Å; Y40-P56 HydrophobicContact CG-CB 4.25Å; Y40-P57 HydrophobicContact CD2-CG 4.17Å; Y40-W58 AromaticContact CD1-CH2 3.88Å; Y40-W58 HydrophobicContact CD1-CH2 3.88Å; Y40-W58 HydrophobicContact CD1-CZ3 4.12Å; Y40-W58 HydrophobicContact CG-CH2 4.13Å; Y40-W58 AromaticContact CG-CZ3 3.89Å; Y40-W58 HydrophobicContact CG-CZ3 3.89Å
41	D	74.7	Confident	66.9	Low	167 Å²	167	91.2 Å²	91.2	89%	0.893	51%	0.512	S	S	*	.			trans	-81.7	4.7	176.5	-61.2	-23.9	0	0	0	113.5	Q39	Q39-D41 PolarHBondContact O-N 3.34Å
42	G	78.8	Confident	69.3	Low	29 Å²	29	94.6 Å²	94.6	30%	0.299	52%	0.518	S	S	.	.	S	Bend	trans	-83.4	159.3	-178.9	0	0	0	0	0	113.3	Y40 L44	Y40-G42 WeakPolarHBondContact CD1-O 3.5Å; Y40-G42 VanDerWaalsContact CE1-CA 3.44Å; Y40-G42 WeakPolarHBondContact CE1-O 3.37Å; Y40-G42 VanDerWaalsContact CZ-CA 3.46Å; Y40-G42 PolarHBondContact O-N 3.46Å; G42-L44 PolarHBondContact O-N 2.68Å
43	K	85.1	Confident	71.7	Confident	107 Å²	107	91 Å²	91	47%	0.465	49%	0.494	S	S	.	.			trans	-65.2	134.6	174	-62.2	-166.6	-177.4	-157.2	0	110.6	E47 L53	K43-E47 IonicContact NZ-OE1 2.72Å; K43-E47 PolarHBondContact NZ-OE1 3.47Å; K43-E47 IonicContact NZ-OE2 2.73Å; K43-E47 PolarHBondContact NZ-OE2 3.24Å; K43-L53 HydrophobicContact CB-CD2 4.26Å
44	L	90.8	Very high	74	Confident	47 Å²	47	93.7 Å²	93.7	25%	0.246	50%	0.495	C	S	.	.			trans	-97.9	-24.8	175.1	-65.1	177.1	0	0	0	113.3	Y40 G42 L53 W58 E304 F305 T307	Y40-L44 HydrophobicContact CD1-CD2 3.67Å; Y40-L44 HydrophobicContact CD1-CG 4.37Å; Y40-L44 HydrophobicContact CE1-CD2 3.53Å; Y40-L44 HydrophobicContact CE1-CG 4.31Å; G42-L44 PolarHBondContact O-N 2.68Å; L44-L53 VanDerWaalsContact O-CD1 3.3Å; L44-L53 WeakPolarHBondContact O-CD1 3.45Å; L44-W58 HydrophobicContact CD2-CH2 3.71Å; L44-W58 HydrophobicContact CD2-CZ2 3.91Å; L44-E304 CarbonylContact O-C 3.49Å; L44-E304 WeakPolarHBondContact O-CA 3.46Å; L44-F305 HydrophobicContact CD2-CB 3.99Å; L44-F305 PolarHBondContact O-N 3.11Å; L44-T307 HydrophobicContact CD1-CG2 3.71Å
45	K	92	Very high	76	Confident	128 Å²	128	92.6 Å²	92.6	56%	0.557	48%	0.483	S	S	*	.	B	Isolated β-bridge	trans	-112.7	137.2	-178.6	-67.4	-173.7	175.5	-167.1	0	110.9	E47 K303 E304	K45-E47 PolarHBondContact O-N 3.3Å; K45-K303 WeakPolarHBondContact CA-O 3.44Å; K45-E304 WeakPolarHBondContact CE-OE1 3.37Å; K45-E304 WeakPolarHBondContact CE-OE2 3.43Å; K45-E304 HydrophobicContact CG-CB 4.31Å; K45-E304 HydrophobicContact CG-CG 4Å; K45-E304 IonicContact NZ-OE1 3.63Å; K45-E304 IonicContact NZ-OE2 2.99Å
46	L	90.4	Very high	78.1	Confident	24 Å²	24	91.1 Å²	91.1	13%	0.126	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-78.6	118.2	177.7	-171.3	78	0	0	0	109.2	Q50 L53 L301 K303	L46-Q50 HydrophobicContact CD1-CB 3.61Å; L46-Q50 HydrophobicContact CG-CB 4.18Å; L46-L53 HydrophobicContact CB-CD1 4.17Å; L46-L53 HydrophobicContact CB-CD2 4.4Å; L46-L53 HydrophobicContact CB-CG 4.1Å; L46-L53 HydrophobicContact CD1-CD2 4.34Å; L46-L53 HydrophobicContact CD1-CG 4Å; L46-L301 HydrophobicContact CD2-CB 3.85Å; L46-L301 HydrophobicContact CD2-CD1 3.65Å; L46-L301 HydrophobicContact CD2-CG 4.39Å; L46-K303 HydrophobicContact CD2-CD 4.2Å; L46-K303 PolarHBondContact N-O 2.93Å
47	E	87.8	Confident	80.4	Confident	103 Å²	103	92.6 Å²	92.6	48%	0.481	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-80	160.9	175.6	-66.8	163.8	-177.3	0	0	111.2	K43 K45 G49 Q50	K43-E47 IonicContact NZ-OE1 2.72Å; K43-E47 PolarHBondContact NZ-OE1 3.47Å; K43-E47 IonicContact NZ-OE2 2.73Å; K43-E47 PolarHBondContact NZ-OE2 3.24Å; K45-E47 PolarHBondContact O-N 3.3Å; E47-G49 PolarHBondContact O-N 3.32Å; E47-Q50 HydrophobicContact CB-CG 4.06Å; E47-Q50 WeakPolarHBondContact O-CB 3.3Å; E47-Q50 PolarHBondContact O-N 3.28Å; E47-Q50 VanDerWaalsContact O-N 3.15Å; E47-Q50 PolarHBondContact OE2-NE2 2.95Å
48	E	82.1	Confident	82.3	Confident	203 Å²	203	93.1 Å²	93.1	95%	0.949	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	135.1	176.9	-164.5	167.7	-167.6	0	0	110.9	Q50	E48-Q50 VanDerWaalsContact C-N 3.29Å; E48-Q50 PolarHBondContact O-N 3.47Å
49	G	82	Confident	84.2	Confident	87 Å²	87	83.6 Å²	83.6	90%	0.897	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-9.3	-175.4	0	0	0	0	0	115.7	E47	E47-G49 PolarHBondContact O-N 3.32Å
50	Q	82.8	Confident	85.4	Confident	65 Å²	65	83.4 Å²	83.4	30%	0.304	43%	0.426	S	S	.	.			trans	-79.9	146.1	175.8	-64.9	-173	-27.9	0	0	112.5	L46 E47 E48	L46-Q50 HydrophobicContact CD1-CB 3.61Å; L46-Q50 HydrophobicContact CG-CB 4.18Å; E47-Q50 HydrophobicContact CB-CG 4.06Å; E47-Q50 WeakPolarHBondContact O-CB 3.3Å; E47-Q50 PolarHBondContact O-N 3.28Å; E47-Q50 VanDerWaalsContact O-N 3.15Å; E47-Q50 PolarHBondContact OE2-NE2 2.95Å; E48-Q50 VanDerWaalsContact C-N 3.29Å; E48-Q50 PolarHBondContact O-N 3.47Å
51	S	82.5	Confident	85.8	Confident	101 Å²	101	86 Å²	86	71%	0.706	44%	0.435	S	S	*	.			trans	-94.9	-27.9	-176.5	61.9	0	0	0	0	114.2	L301	S51-L301 WeakPolarHBondContact O-CD2 3.45Å
52	R	85.8	Confident	85.8	Confident	160 Å²	160	86.6 Å²	86.6	60%	0.604	43%	0.433	S	S	*	.			trans	-164.2	148.4	-179.3	-152.4	179.8	-177	-172.7	-1.5	113
53	L	87.9	Confident	85.6	Confident	13 Å²	13	91 Å²	91	7%	0.068	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-87.3	149	165.9	-67.5	171.1	0	0	0	111.7	K43 L44 L46 V302 F305	K43-L53 HydrophobicContact CB-CD2 4.26Å; L44-L53 VanDerWaalsContact O-CD1 3.3Å; L44-L53 WeakPolarHBondContact O-CD1 3.45Å; L46-L53 HydrophobicContact CB-CD1 4.17Å; L46-L53 HydrophobicContact CB-CD2 4.4Å; L46-L53 HydrophobicContact CB-CG 4.1Å; L46-L53 HydrophobicContact CD1-CD2 4.34Å; L46-L53 HydrophobicContact CD1-CG 4Å; L53-V302 HydrophobicContact CD1-CG1 4.4Å; L53-F305 HydrophobicContact CB-CD2 3.79Å; L53-F305 HydrophobicContact CB-CE2 3.32Å; L53-F305 HydrophobicContact CB-CZ 4.24Å; L53-F305 HydrophobicContact CD1-CD2 3.92Å; L53-F305 HydrophobicContact CD1-CE2 4.17Å; L53-F305 HydrophobicContact CG-CD2 4.48Å; L53-F305 HydrophobicContact CG-CE2 4.39Å
54	H	86.8	Confident	84.9	Confident	156 Å²	156	87.8 Å²	87.8	72%	0.722	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-77.2	138.2	171.9	-75.7	-86.4	0	0	0	110.9	Y40 P56 F305	Y40-H54 PolarHBondContact OH-O 3.47Å; Y40-H54 VanDerWaalsContact OH-O 3.05Å; H54-P56 VanDerWaalsContact O-CD 3.28Å; H54-P56 WeakPolarHBondContact O-CD 3.38Å; H54-F305 WeakPolarHBondContact O-CE2 3.23Å
55	L	87.2	Confident	83.9	Confident	61 Å²	61	91.2 Å²	91.2	32%	0.319	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-69.7	118.5	-176.2	-168.2	69.5	0	0	0	111	L59 R60 M293 F305	L55-L59 HydrophobicContact CD1-CB 3.64Å; L55-L59 HydrophobicContact CD1-CD1 3.95Å; L55-L59 HydrophobicContact CD1-CG 4.46Å; L55-L59 HydrophobicContact CD2-CB 4.47Å; L55-L59 HydrophobicContact CG-CB 3.98Å; L55-R60 HydrophobicContact CD2-CG 4.1Å; L55-R60 HydrophobicContact CG-CG 4.5Å; L55-R60 PolarHBondContact O-NH2 2.88Å; L55-M293 HydrophobicContact CD1-CE 3.37Å; L55-M293 HydrophobicContact CD1-SD 4.15Å; L55-M293 HydrophobicContact CD2-CE 4.37Å; L55-F305 HydrophobicContact CD1-CE1 3.98Å; L55-F305 HydrophobicContact CD1-CZ 3.9Å
56	P	90.7	Very high	83.1	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-68.3	157.3	178.5	28.2	-36.8	0	0	0	111.9	Y40 H54 W58 L59 F305	Y40-P56 HydrophobicContact CD1-CB 4.24Å; Y40-P56 HydrophobicContact CD2-CB 4.12Å; Y40-P56 HydrophobicContact CE1-CB 4.04Å; Y40-P56 HydrophobicContact CE2-CB 3.93Å; Y40-P56 HydrophobicContact CG-CB 4.25Å; H54-P56 VanDerWaalsContact O-CD 3.28Å; H54-P56 WeakPolarHBondContact O-CD 3.38Å; P56-W58 VanDerWaalsContact C-N 3.33Å; P56-W58 HydrophobicContact CB-CD2 3.82Å; P56-W58 HydrophobicContact CB-CE3 3.8Å; P56-W58 HydrophobicContact CB-CH2 3.51Å; P56-W58 HydrophobicContact CB-CZ2 3.5Å; P56-W58 VanDerWaalsContact CB-CZ2 3.5Å; P56-W58 HydrophobicContact CB-CZ3 3.65Å; P56-W58 HydrophobicContact CG-CD2 4.11Å; P56-W58 HydrophobicContact CG-CH2 4.1Å; P56-W58 HydrophobicContact CG-CZ2 3.55Å; P56-W58 PolarHBondContact O-N 2.94Å; P56-L59 HydrophobicContact CG-CB 4.39Å; P56-L59 HydrophobicContact CG-CD1 3.68Å; P56-L59 HydrophobicContact CG-CG 4.15Å; P56-L59 PolarHBondContact O-N 3.18Å; P56-L59 VanDerWaalsContact O-N 3.13Å; P56-F305 VanDerWaalsContact CD-CD2 3.45Å; P56-F305 HydrophobicContact CG-CB 4.03Å; P56-F305 HydrophobicContact CG-CD1 4.26Å; P56-F305 HydrophobicContact CG-CD2 4.1Å; P56-F305 HydrophobicContact CG-CG 3.89Å
57	P	89.7	Confident	82.6	Confident	59 Å²	59	90.2 Å²	90.2	38%	0.383	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-55.1	-41	-175.6	-27.7	34.7	0	0	0	114.4	Y40 L59 R60	Y40-P57 HydrophobicContact CD2-CG 4.17Å; P57-L59 PolarHBondContact O-N 2.87Å; P57-L59 VanDerWaalsContact O-N 3.11Å; P57-R60 WeakPolarHBondContact O-CB 3.34Å; P57-R60 PolarHBondContact O-N 2.77Å
58	W	90.5	Very high	82.1	Confident	31 Å²	31	87.6 Å²	87.6	12%	0.117	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-70.1	-6.2	-177.6	63.6	84.8	0	0	0	114.6	A37 Y40 L44 P56 P308	A37-W58 HydrophobicContact CB-CE3 4.42Å; A37-W58 HydrophobicContact CB-CZ3 4.3Å; Y40-W58 AromaticContact CD1-CH2 3.88Å; Y40-W58 HydrophobicContact CD1-CH2 3.88Å; Y40-W58 HydrophobicContact CD1-CZ3 4.12Å; Y40-W58 HydrophobicContact CG-CH2 4.13Å; Y40-W58 AromaticContact CG-CZ3 3.89Å; Y40-W58 HydrophobicContact CG-CZ3 3.89Å; L44-W58 HydrophobicContact CD2-CH2 3.71Å; L44-W58 HydrophobicContact CD2-CZ2 3.91Å; P56-W58 VanDerWaalsContact C-N 3.33Å; P56-W58 HydrophobicContact CB-CD2 3.82Å; P56-W58 HydrophobicContact CB-CE3 3.8Å; P56-W58 HydrophobicContact CB-CH2 3.51Å; P56-W58 HydrophobicContact CB-CZ2 3.5Å; P56-W58 VanDerWaalsContact CB-CZ2 3.5Å; P56-W58 HydrophobicContact CB-CZ3 3.65Å; P56-W58 HydrophobicContact CG-CD2 4.11Å; P56-W58 HydrophobicContact CG-CH2 4.1Å; P56-W58 HydrophobicContact CG-CZ2 3.55Å; P56-W58 PolarHBondContact O-N 2.94Å; W58-P308 HydrophobicContact CB-CG 4.45Å; W58-P308 HydrophobicContact CD2-CG 4.27Å; W58-P308 HydrophobicContact CG-CG 4.06Å
59	L	89	Confident	82	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.016	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-105.1	-3.7	173.6	-71.1	172.6	0	0	0	113.1	L55 P56 P57 Q291 M293 F305 P330 L331	L55-L59 HydrophobicContact CD1-CB 3.64Å; L55-L59 HydrophobicContact CD1-CD1 3.95Å; L55-L59 HydrophobicContact CD1-CG 4.46Å; L55-L59 HydrophobicContact CD2-CB 4.47Å; L55-L59 HydrophobicContact CG-CB 3.98Å; P56-L59 HydrophobicContact CG-CB 4.39Å; P56-L59 HydrophobicContact CG-CD1 3.68Å; P56-L59 HydrophobicContact CG-CG 4.15Å; P56-L59 PolarHBondContact O-N 3.18Å; P56-L59 VanDerWaalsContact O-N 3.13Å; P57-L59 PolarHBondContact O-N 2.87Å; P57-L59 VanDerWaalsContact O-N 3.11Å; L59-Q291 HydrophobicContact CD1-CG 3.79Å; L59-Q291 HydrophobicContact CD2-CB 4.01Å; L59-Q291 HydrophobicContact CD2-CG 4.03Å; L59-M293 HydrophobicContact CD1-SD 3.98Å; L59-M293 HydrophobicContact CD2-SD 4.28Å; L59-F305 HydrophobicContact CD1-CD1 3.34Å; L59-F305 HydrophobicContact CD1-CE1 3.6Å; L59-F305 HydrophobicContact CD1-CG 4.21Å; L59-P330 HydrophobicContact CD2-CB 3.48Å; L59-P330 VanDerWaalsContact CD2-CB 3.48Å; L59-P330 HydrophobicContact CG-CB 4.31Å; L59-L331 HydrophobicContact CD2-CD2 3.94Å; L59-L331 HydrophobicContact CD2-CG 4.45Å
60	R	85.5	Confident	82	Confident	163 Å²	163	80 Å²	80	62%	0.615	42%	0.42	S	S	*	.			trans	-75.8	141.5	176.8	-62.4	-177.6	-172.5	-176.5	3.1	109.5	L55 P57	L55-R60 HydrophobicContact CD2-CG 4.1Å; L55-R60 HydrophobicContact CG-CG 4.5Å; L55-R60 PolarHBondContact O-NH2 2.88Å; P57-R60 WeakPolarHBondContact O-CB 3.34Å; P57-R60 PolarHBondContact O-N 2.77Å
61	R	79.3	Confident	82.1	Confident	98 Å²	98	81.6 Å²	81.6	37%	0.37	42%	0.423	S	S	.	.			trans	-132	152.4	175.1	-74.2	-67.1	-157.4	170.9	0.5	109.3	P91 N92 E95 L331	R61-P91 HydrophobicContact CB-CB 4.5Å; R61-P91 HydrophobicContact CG-CB 4.18Å; R61-N92 PolarHBondContact NE-OD1 3.35Å; R61-N92 PolarHBondContact NH2-OD1 3.26Å; R61-E95 IonicContact CZ-OE2 2.63Å; R61-E95 IonicContact NH1-OE2 3.57Å; R61-E95 PolarHBondContact NH1-OE2 3.44Å; R61-E95 IonicContact NH2-OE2 3.84Å; R61-E95 PolarHBondContact NH2-OE2 3.21Å; R61-L331 HydrophobicContact CG-CD2 4.43Å
62	E	75.9	Confident	82	Confident	181 Å²	181	76.9 Å²	76.9	85%	0.846	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-73.2	155.4	172.8	-63.1	-174.4	169.4	0	0	111
63	V	74.2	Confident	81.9	Confident	120 Å²	120	71.2 Å²	71.2	73%	0.727	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-67.7	132.1	177.1	179.1	0	0	0	0	108.8	T65	V63-T65 PolarHBondContact O-N 3.36Å; V63-T65 VanDerWaalsContact O-N 3.14Å
64	P	69.3	Low	81.9	Confident	40 Å²	40	74 Å²	74	26%	0.26	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-56.5	120	177.9	-23	31.7	0	0	0	111.3	Y69 V93	P64-Y69 HydrophobicContact CB-CD2 4.05Å; P64-Y69 HydrophobicContact CB-CE1 4.47Å; P64-Y69 HydrophobicContact CB-CE2 3.99Å; P64-Y69 HydrophobicContact CB-CG 4.35Å; P64-V93 HydrophobicContact CB-CG1 4.07Å; P64-V93 HydrophobicContact CG-CG1 3.34Å
65	T	70.6	Confident	81.8	Confident	120 Å²	120	67.1 Å²	67.1	74%	0.736	36%	0.36	S	S	*	.			trans	-132.2	155.7	173.7	56.8	0	0	0	0	109.6	V63	V63-T65 PolarHBondContact O-N 3.36Å; V63-T65 VanDerWaalsContact O-N 3.14Å
66	G	75.8	Confident	81.7	Confident	45 Å²	45	64.3 Å²	64.3	46%	0.464	35%	0.345	S	S	.	.	S	Bend	trans	128.3	157.4	174.4	0	0	0	0	0	115.4	Q70	G66-Q70 PolarHBondContact O-N 3.05Å
67	A	79.2	Confident	81.6	Confident	86 Å²	86	72.3 Å²	72.3	71%	0.711	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	-39.3	-177.1	0	0	0	0	0	112.8	Q70 R71	A67-Q70 PolarHBondContact O-N 3.5Å; A67-R71 WeakPolarHBondContact O-CB 3.43Å; A67-R71 PolarHBondContact O-N 3.22Å
68	N	78	Confident	81.5	Confident	48 Å²	48	78 Å²	78	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-39.5	-178.7	-149.4	10.7	0	0	0	111.7	Q70 R71 L72 W97	N68-Q70 PolarHBondContact O-N 2.69Å; N68-R71 WeakPolarHBondContact O-CB 3.16Å; N68-R71 PolarHBondContact O-N 3.1Å; N68-R71 PolarHBondContact OD1-NE 2.88Å; N68-R71 PolarHBondContact OD1-NH2 3.41Å; N68-L72 WeakPolarHBondContact O-CD1 3.39Å; N68-L72 PolarHBondContact O-N 3.45Å; N68-W97 PolarHBondContact ND2-O 3.22Å
69	Y	79.3	Confident	81.3	Confident	28 Å²	28	78.1 Å²	78.1	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-57.1	-47.5	172.2	172.5	-98.1	0	0	0	111.7	P64 R71 L72 K73 V93 W97	P64-Y69 HydrophobicContact CB-CD2 4.05Å; P64-Y69 HydrophobicContact CB-CE1 4.47Å; P64-Y69 HydrophobicContact CB-CE2 3.99Å; P64-Y69 HydrophobicContact CB-CG 4.35Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.49Å; Y69-L72 PolarHBondContact O-N 3.11Å; Y69-K73 HydrophobicContact CE1-CD 4.02Å; Y69-K73 VanDerWaalsContact O-CB 3.25Å; Y69-K73 WeakPolarHBondContact O-CB 3.13Å; Y69-K73 PolarHBondContact O-N 3.43Å; Y69-K73 PolarHBondContact OH-NZ 2.65Å; Y69-V93 HydrophobicContact CD2-CG2 4.31Å; Y69-V93 HydrophobicContact CE2-CG1 4.2Å; Y69-V93 HydrophobicContact CE2-CG2 3.87Å; Y69-W97 HydrophobicContact CD2-CB 4.47Å; Y69-W97 HydrophobicContact CD2-CD2 4.26Å; Y69-W97 AromaticContact CD2-CE3 3.47Å; Y69-W97 HydrophobicContact CD2-CE3 3.47Å; Y69-W97 VanDerWaalsContact CD2-CE3 3.47Å; Y69-W97 HydrophobicContact CD2-CZ3 4.05Å; Y69-W97 AromaticContact CE2-CE3 3.74Å; Y69-W97 HydrophobicContact CE2-CE3 3.74Å; Y69-W97 AromaticContact CE2-CZ3 3.87Å; Y69-W97 HydrophobicContact CE2-CZ3 3.87Å; Y69-W97 HydrophobicContact CG-CE3 4.37Å
70	Q	83.2	Confident	81.2	Confident	102 Å²	102	87.4 Å²	87.4	48%	0.477	43%	0.431	S	S	.	.	H	α-helix	trans	-66.9	-34.5	178.4	-64.5	-63.1	-9	0	0	112.9	G66 A67 N68 S74	G66-Q70 PolarHBondContact O-N 3.05Å; A67-Q70 PolarHBondContact O-N 3.5Å; N68-Q70 PolarHBondContact O-N 2.69Å; Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.23Å; Q70-S74 PolarHBondContact O-N 2.92Å; Q70-S74 PolarHBondContact O-OG 3.05Å
71	R	83	Confident	81.3	Confident	98 Å²	98	80.1 Å²	80.1	37%	0.37	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-53.4	175	-174.2	-175.1	71.1	102	-4.5	111.1	A67 N68 Y69 K73 S74 S75	A67-R71 WeakPolarHBondContact O-CB 3.43Å; A67-R71 PolarHBondContact O-N 3.22Å; N68-R71 WeakPolarHBondContact O-CB 3.16Å; N68-R71 PolarHBondContact O-N 3.1Å; N68-R71 PolarHBondContact OD1-NE 2.88Å; N68-R71 PolarHBondContact OD1-NH2 3.41Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.49Å; R71-K73 VanDerWaalsContact C-N 3.35Å; R71-K73 PolarHBondContact O-N 2.94Å; R71-S74 PolarHBondContact O-N 3.32Å; R71-S75 WeakPolarHBondContact O-CB 3.06Å; R71-S75 PolarHBondContact O-N 2.76Å
72	L	81.5	Confident	81.7	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.01	40%	0.398	C	S	.	.	H	α-helix	trans	-60.9	-45.3	178.6	-92.3	67.6	0	0	0	110.9	N68 Y69 S74 S75 L76 W97	N68-L72 WeakPolarHBondContact O-CD1 3.39Å; N68-L72 PolarHBondContact O-N 3.45Å; Y69-L72 PolarHBondContact O-N 3.11Å; L72-S74 VanDerWaalsContact C-N 3.34Å; L72-S74 PolarHBondContact O-N 3.21Å; L72-S75 PolarHBondContact O-N 2.91Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.05Å; L72-W97 HydrophobicContact CB-CD2 4.07Å; L72-W97 HydrophobicContact CB-CE3 3.67Å; L72-W97 HydrophobicContact CB-CZ3 4.12Å; L72-W97 HydrophobicContact CD2-CB 3.83Å; L72-W97 HydrophobicContact CD2-CD2 3.87Å; L72-W97 HydrophobicContact CD2-CE3 4.35Å; L72-W97 HydrophobicContact CD2-CG 3.61Å
73	K	84.2	Confident	82.2	Confident	42 Å²	42	69.2 Å²	69.2	18%	0.183	36%	0.358	C	S	.	.	H	α-helix	trans	-57.4	-44.3	176.4	-171.7	169.4	-167.6	167	0	113.1	Y69 R71 R77 E86 W97	Y69-K73 HydrophobicContact CE1-CD 4.02Å; Y69-K73 VanDerWaalsContact O-CB 3.25Å; Y69-K73 WeakPolarHBondContact O-CB 3.13Å; Y69-K73 PolarHBondContact O-N 3.43Å; Y69-K73 PolarHBondContact OH-NZ 2.65Å; R71-K73 VanDerWaalsContact C-N 3.35Å; R71-K73 PolarHBondContact O-N 2.94Å; K73-R77 WeakPolarHBondContact O-CG 3.31Å; K73-R77 PolarHBondContact O-N 3.42Å; K73-E86 VanDerWaalsContact CE-OE1 3.31Å; K73-E86 WeakPolarHBondContact CE-OE1 3.5Å; K73-W97 HydrophobicContact CB-CZ3 4.09Å
74	S	86.7	Confident	82.4	Confident	71 Å²	71	65.3 Å²	65.3	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-67.8	-41	178.4	-60.6	0	0	0	0	111.9	Q70 R71 L72 R77 K78	Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.23Å; Q70-S74 PolarHBondContact O-N 2.92Å; Q70-S74 PolarHBondContact O-OG 3.05Å; R71-S74 PolarHBondContact O-N 3.32Å; L72-S74 VanDerWaalsContact C-N 3.34Å; L72-S74 PolarHBondContact O-N 3.21Å; S74-R77 PolarHBondContact O-N 2.89Å; S74-K78 WeakPolarHBondContact O-CB 3.48Å; S74-K78 PolarHBondContact O-N 3.27Å
75	S	85.3	Confident	83	Confident	12 Å²	12	63.8 Å²	63.8	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-48.2	177.5	179.3	0	0	0	0	111.6	R71 L72 R77 K78 L79 W149	R71-S75 WeakPolarHBondContact O-CB 3.06Å; R71-S75 PolarHBondContact O-N 2.76Å; L72-S75 PolarHBondContact O-N 2.91Å; S75-R77 PolarHBondContact O-N 2.91Å; S75-K78 PolarHBondContact O-N 2.97Å; S75-L79 WeakPolarHBondContact O-CG 3.44Å; S75-L79 PolarHBondContact O-N 3Å; S75-W149 PolarHBondContact OG-NE1 2.99Å
76	L	86	Confident	83.4	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-47.8	176	-73.3	163.1	0	0	0	112.3	L72 L79 R80 L81 T83 W97 W149	L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.05Å; L76-L79 PolarHBondContact O-N 3.29Å; L76-R80 PolarHBondContact O-N 2.92Å; L76-L81 HydrophobicContact CD2-CB 3.83Å; L76-L81 PolarHBondContact O-N 3.45Å; L76-T83 HydrophobicContact CD1-CG2 3.4Å; L76-T83 HydrophobicContact CD2-CG2 3.49Å; L76-T83 VanDerWaalsContact CD2-CG2 3.49Å; L76-T83 HydrophobicContact CG-CG2 4.07Å; L76-W97 HydrophobicContact CD1-CH2 3.3Å; L76-W97 HydrophobicContact CD1-CZ2 3.74Å; L76-W97 HydrophobicContact CD1-CZ3 4.02Å; L76-W149 HydrophobicContact CD2-CH2 3.56Å; L76-W149 HydrophobicContact CD2-CZ2 3.81Å; L76-W149 HydrophobicContact CG-CH2 4.17Å; L76-W149 HydrophobicContact CG-CZ2 3.97Å
77	R	87	Confident	83.5	Confident	168 Å²	168	61.5 Å²	61.5	63%	0.634	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-43	178	-73.4	176.6	176.6	-163.8	-6.2	112.8	K73 S74 S75 L79 R80	K73-R77 WeakPolarHBondContact O-CG 3.31Å; K73-R77 PolarHBondContact O-N 3.42Å; S74-R77 PolarHBondContact O-N 2.89Å; S75-R77 PolarHBondContact O-N 2.91Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 2.96Å; R77-R80 PolarHBondContact O-N 3.49Å
78	K	88.2	Confident	82.9	Confident	178 Å²	178	59.1 Å²	59.1	77%	0.774	27%	0.273	S	S	*	.	H	α-helix	trans	-61.6	-39.9	179.3	-177.2	-176.2	174.6	-169.1	0	111.3	S74 S75 R80	S74-K78 WeakPolarHBondContact O-CB 3.48Å; S74-K78 PolarHBondContact O-N 3.27Å; S75-K78 PolarHBondContact O-N 2.97Å; K78-R80 VanDerWaalsContact C-N 3.34Å
79	L	85.9	Confident	82.7	Confident	35 Å²	35	63.8 Å²	63.8	18%	0.183	29%	0.291	C	S	.	.	H	α-helix	trans	-88.7	-0.4	-178.2	-62.8	175.3	0	0	0	113.6	S75 L76 R77 L81 A145	S75-L79 WeakPolarHBondContact O-CG 3.44Å; S75-L79 PolarHBondContact O-N 3Å; L76-L79 PolarHBondContact O-N 3.29Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 2.96Å; L79-L81 HydrophobicContact CB-CD1 3.92Å; L79-L81 HydrophobicContact CB-CG 3.81Å; L79-L81 HydrophobicContact CD1-CD1 4.22Å; L79-L81 PolarHBondContact O-N 3.48Å; L79-A145 HydrophobicContact CD1-CB 3.37Å
80	R	86.3	Confident	82.7	Confident	197 Å²	197	63.7 Å²	63.7	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	37.8	-175.6	-54.2	-178.9	-174.9	173.1	1.1	112.5	L76 R77 K78	L76-R80 PolarHBondContact O-N 2.92Å; R77-R80 PolarHBondContact O-N 3.49Å; K78-R80 VanDerWaalsContact C-N 3.34Å
81	L	89	Confident	82.4	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	28%	0.284	C	S	.	.			trans	-94.8	148.9	176.6	-61.2	177.8	0	0	0	110.3	L76 L79 E138 K141 T142 A145	L76-L81 HydrophobicContact CD2-CB 3.83Å; L76-L81 PolarHBondContact O-N 3.45Å; L79-L81 HydrophobicContact CB-CD1 3.92Å; L79-L81 HydrophobicContact CB-CG 3.81Å; L79-L81 HydrophobicContact CD1-CD1 4.22Å; L79-L81 PolarHBondContact O-N 3.48Å; L81-E138 HydrophobicContact CD2-CG 4.27Å; L81-K141 HydrophobicContact CD2-CB 4.41Å; L81-T142 VanDerWaalsContact CD2-OG1 3.26Å; L81-T142 WeakPolarHBondContact CD2-OG1 3.12Å; L81-A145 HydrophobicContact CD1-CB 3.66Å
82	H	86.6	Confident	82.2	Confident	49 Å²	49	56.2 Å²	56.2	23%	0.227	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-105.1	154.3	178.9	-62	-83	0	0	0	111.2	E87 M110	H82-E87 IonicContact ND1-OE1 3.39Å; H82-M110 HydrophobicContact CB-CB 4.22Å; H82-M110 HydrophobicContact CB-CE 4.06Å; H82-M110 PolarHBondContact O-N 3.5Å
83	T	86.4	Confident	82	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.27	C	S	.	.			trans	-132.9	141	170.7	66.9	0	0	0	0	110.6	L76 C85 E86 E87 W97 T108	L76-T83 HydrophobicContact CD1-CG2 3.4Å; L76-T83 HydrophobicContact CD2-CG2 3.49Å; L76-T83 VanDerWaalsContact CD2-CG2 3.49Å; L76-T83 HydrophobicContact CG-CG2 4.07Å; T83-C85 PolarHBondContact O-N 3.2Å; T83-C85 VanDerWaalsContact O-N 3.16Å; T83-E86 PolarHBondContact O-N 3.14Å; T83-E86 PolarHBondContact OG1-N 3.45Å; T83-E87 WeakPolarHBondContact O-CG 3.25Å; T83-E87 PolarHBondContact O-N 2.98Å; T83-W97 HydrophobicContact CG2-CH2 4.5Å; T83-W97 HydrophobicContact CG2-CZ2 4.01Å; T83-T108 VanDerWaalsContact CB-O 3.26Å; T83-T108 WeakPolarHBondContact CB-O 3.39Å; T83-T108 WeakPolarHBondContact CG2-O 3.48Å
84	V	79	Confident	81.7	Confident	38 Å²	38	55.6 Å²	55.6	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-24	169.5	75.6	0	0	0	0	111.1	A88 T108 T157	V84-A88 HydrophobicContact CG2-CB 3.78Å; V84-A88 WeakPolarHBondContact O-CA 3.29Å; V84-A88 WeakPolarHBondContact O-CB 3.35Å; V84-A88 PolarHBondContact O-N 3.49Å; V84-T108 HydrophobicContact CG1-CG2 3.52Å; V84-T157 HydrophobicContact CB-CG2 4.21Å; V84-T157 HydrophobicContact CG1-CG2 4.47Å
85	C	80.9	Confident	81.2	Confident	8 Å²	8	55.2 Å²	55.2	5%	0.054	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-44.1	177.4	-59.5	0	0	0	0	112.4	T83 K89 C90 V93 W97	T83-C85 PolarHBondContact O-N 3.2Å; T83-C85 VanDerWaalsContact O-N 3.16Å; C85-K89 PolarHBondContact O-N 3.05Å; C85-C90 HydrophobicContact CB-CB 4.26Å; C85-C90 PolarHBondContact O-N 3.36Å; C85-V93 HydrophobicContact CB-CB 4.16Å; C85-V93 HydrophobicContact CB-CG2 3.7Å; C85-W97 HydrophobicContact CB-CZ2 3.89Å
86	E	80.6	Confident	80.8	Confident	57 Å²	57	55.3 Å²	55.3	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-78.9	-46	176.6	-67.7	-170.1	126.6	0	0	111.3	K73 T83 K89 W97	K73-E86 VanDerWaalsContact CE-OE1 3.31Å; K73-E86 WeakPolarHBondContact CE-OE1 3.5Å; T83-E86 PolarHBondContact O-N 3.14Å; T83-E86 PolarHBondContact OG1-N 3.45Å; E86-K89 PolarHBondContact O-N 2.95Å; E86-W97 HydrophobicContact CG-CH2 4.1Å
87	E	76.3	Confident	80.3	Confident	61 Å²	61	55.3 Å²	55.3	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-71.3	-35.3	-174.8	-60.4	-55.8	154	0	0	113.4	H82 T83 M110 S124	H82-E87 IonicContact ND1-OE1 3.39Å; T83-E87 WeakPolarHBondContact O-CG 3.25Å; T83-E87 PolarHBondContact O-N 2.98Å; E87-M110 HydrophobicContact CB-CE 4.14Å; E87-M110 HydrophobicContact CG-CE 3.65Å; E87-S124 PolarHBondContact O-OG 3.42Å
88	A	68.3	Low	79.5	Confident	35 Å²	35	49.1 Å²	49.1	29%	0.289	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.9	177	0	0	0	0	0	114	V84 C90 S124	V84-A88 HydrophobicContact CG2-CB 3.78Å; V84-A88 WeakPolarHBondContact O-CA 3.29Å; V84-A88 WeakPolarHBondContact O-CB 3.35Å; V84-A88 PolarHBondContact O-N 3.49Å; A88-C90 VanDerWaalsContact C-N 3.33Å; A88-C90 PolarHBondContact O-N 2.93Å; A88-S124 WeakPolarHBondContact CA-OG 3.42Å
89	K	72.8	Confident	78.3	Confident	146 Å²	146	41.9 Å²	41.9	64%	0.635	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	50.4	-178.2	-57	179.3	-178.6	-180	0	112.1	C85 E86	C85-K89 PolarHBondContact O-N 3.05Å; E86-K89 PolarHBondContact O-N 2.95Å
90	C	79.4	Confident	76.9	Confident	26 Å²	26	41.4 Å²	41.4	18%	0.176	23%	0.23	C	C	.	.			trans	-62	126.5	-172.2	-179.8	0	0	0	0	111.5	C85 A88 N92 V93	C85-C90 HydrophobicContact CB-CB 4.26Å; C85-C90 PolarHBondContact O-N 3.36Å; A88-C90 VanDerWaalsContact C-N 3.33Å; A88-C90 PolarHBondContact O-N 2.93Å; C90-N92 PolarHBondContact O-N 3.23Å; C90-N92 PolarHBondContact SG-N 3.38Å; C90-N92 VanDerWaalsContact SG-N 3.41Å; C90-V93 PolarHBondContact O-N 2.99Å
91	P	76.5	Confident	75.2	Confident	41 Å²	41	42 Å²	42	27%	0.266	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.8	179.1	29	-35.6	0	0	0	113.1	R61	R61-P91 HydrophobicContact CB-CB 4.5Å; R61-P91 HydrophobicContact CG-CB 4.18Å
92	N	79.1	Confident	73.5	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.011	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.1	-177.6	-59.5	-36.7	0	0	0	113.5	R61 C90 G94 E95 C96 L331	R61-N92 PolarHBondContact NE-OD1 3.35Å; R61-N92 PolarHBondContact NH2-OD1 3.26Å; C90-N92 PolarHBondContact O-N 3.23Å; C90-N92 PolarHBondContact SG-N 3.38Å; C90-N92 VanDerWaalsContact SG-N 3.41Å; N92-G94 VanDerWaalsContact C-N 3.28Å; N92-G94 PolarHBondContact O-N 3.18Å; N92-E95 PolarHBondContact O-N 3.44Å; N92-E95 VanDerWaalsContact O-N 3.14Å; N92-C96 PolarHBondContact O-N 3.39Å; N92-C96 PolarHBondContact O-SG 2.97Å; N92-L331 PolarHBondContact ND2-O 2.86Å
93	V	78.4	Confident	72	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-36.6	-171.9	67.6	0	0	0	0	113.1	P64 Y69 C85 C90 W97	P64-V93 HydrophobicContact CB-CG1 4.07Å; P64-V93 HydrophobicContact CG-CG1 3.34Å; Y69-V93 HydrophobicContact CD2-CG2 4.31Å; Y69-V93 HydrophobicContact CE2-CG1 4.2Å; Y69-V93 HydrophobicContact CE2-CG2 3.87Å; C85-V93 HydrophobicContact CB-CB 4.16Å; C85-V93 HydrophobicContact CB-CG2 3.7Å; C90-V93 PolarHBondContact O-N 2.99Å; V93-W97 HydrophobicContact CG2-CD2 3.69Å; V93-W97 HydrophobicContact CG2-CE3 4.04Å; V93-W97 HydrophobicContact CG2-CG 4.12Å; V93-W97 HydrophobicContact CG2-CH2 4.25Å; V93-W97 HydrophobicContact CG2-CZ2 3.94Å; V93-W97 HydrophobicContact CG2-CZ3 4.3Å; V93-W97 WeakPolarHBondContact O-CB 3.38Å; V93-W97 PolarHBondContact O-N 3.47Å
94	G	76.9	Confident	70.7	Confident	21 Å²	21	48.5 Å²	48.5	22%	0.216	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-44.7	176.8	0	0	0	0	0	112.7	N92 G98	N92-G94 VanDerWaalsContact C-N 3.28Å; N92-G94 PolarHBondContact O-N 3.18Å; G94-G98 WeakPolarHBondContact O-CA 3.46Å; G94-G98 PolarHBondContact O-N 3.28Å
95	E	75.9	Confident	70.2	Confident	63 Å²	63	47.3 Å²	47.3	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-69.5	-39.6	179.2	-172.4	-173.2	148	0	0	112	R61 N92 R337	R61-E95 IonicContact CZ-OE2 2.63Å; R61-E95 IonicContact NH1-OE2 3.57Å; R61-E95 PolarHBondContact NH1-OE2 3.44Å; R61-E95 IonicContact NH2-OE2 3.84Å; R61-E95 PolarHBondContact NH2-OE2 3.21Å; N92-E95 PolarHBondContact O-N 3.44Å; N92-E95 VanDerWaalsContact O-N 3.14Å; E95-R337 PolarHBondContact O-NH1 2.93Å
96	C	76.8	Confident	69.9	Low	13 Å²	13	47.2 Å²	47.2	9%	0.088	29%	0.287	C	S	.	.	H	α-helix	trans	-70.9	-41.4	-178.9	-66.6	0	0	0	0	112.9	N92 T106	N92-C96 PolarHBondContact O-N 3.39Å; N92-C96 PolarHBondContact O-SG 2.97Å; C96-T106 PolarHBondContact O-N 3.35Å; C96-T106 VanDerWaalsContact O-N 3.11Å
97	W	77	Confident	70	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-89.2	-23.2	-176.3	-66.7	9.8	0	0	0	113.3	N68 Y69 L72 K73 L76 T83 C85 E86 V93 G99	N68-W97 PolarHBondContact ND2-O 3.22Å; Y69-W97 HydrophobicContact CD2-CB 4.47Å; Y69-W97 HydrophobicContact CD2-CD2 4.26Å; Y69-W97 AromaticContact CD2-CE3 3.47Å; Y69-W97 HydrophobicContact CD2-CE3 3.47Å; Y69-W97 VanDerWaalsContact CD2-CE3 3.47Å; Y69-W97 HydrophobicContact CD2-CZ3 4.05Å; Y69-W97 AromaticContact CE2-CE3 3.74Å; Y69-W97 HydrophobicContact CE2-CE3 3.74Å; Y69-W97 AromaticContact CE2-CZ3 3.87Å; Y69-W97 HydrophobicContact CE2-CZ3 3.87Å; Y69-W97 HydrophobicContact CG-CE3 4.37Å; L72-W97 HydrophobicContact CB-CD2 4.07Å; L72-W97 HydrophobicContact CB-CE3 3.67Å; L72-W97 HydrophobicContact CB-CZ3 4.12Å; L72-W97 HydrophobicContact CD2-CB 3.83Å; L72-W97 HydrophobicContact CD2-CD2 3.87Å; L72-W97 HydrophobicContact CD2-CE3 4.35Å; L72-W97 HydrophobicContact CD2-CG 3.61Å; K73-W97 HydrophobicContact CB-CZ3 4.09Å; L76-W97 HydrophobicContact CD1-CH2 3.3Å; L76-W97 HydrophobicContact CD1-CZ2 3.74Å; L76-W97 HydrophobicContact CD1-CZ3 4.02Å; T83-W97 HydrophobicContact CG2-CH2 4.5Å; T83-W97 HydrophobicContact CG2-CZ2 4.01Å; C85-W97 HydrophobicContact CB-CZ2 3.89Å; E86-W97 HydrophobicContact CG-CH2 4.1Å; V93-W97 HydrophobicContact CG2-CD2 3.69Å; V93-W97 HydrophobicContact CG2-CE3 4.04Å; V93-W97 HydrophobicContact CG2-CG 4.12Å; V93-W97 HydrophobicContact CG2-CH2 4.25Å; V93-W97 HydrophobicContact CG2-CZ2 3.94Å; V93-W97 HydrophobicContact CG2-CZ3 4.3Å; V93-W97 WeakPolarHBondContact O-CB 3.38Å; V93-W97 PolarHBondContact O-N 3.47Å; W97-G99 VanDerWaalsContact C-N 3.27Å; W97-G99 PolarHBondContact O-N 3.02Å
98	G	68.5	Low	70.5	Confident	39 Å²	39	42 Å²	42	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-28.2	177	0	0	0	0	0	113.4	G94	G94-G98 WeakPolarHBondContact O-CA 3.46Å; G94-G98 PolarHBondContact O-N 3.28Å
99	G	63.4	Low	71.6	Confident	25 Å²	25	40.3 Å²	40.3	26%	0.258	25%	0.25	S	C	.	.			trans	79.4	120.2	-160.2	0	0	0	0	0	108.8	W97	W97-G99 VanDerWaalsContact C-N 3.27Å; W97-G99 PolarHBondContact O-N 3.02Å
100	G	56.2	Low	72.6	Confident	26 Å²	26	33.6 Å²	33.6	27%	0.268	22%	0.22	S	C	.	.			trans	-74.9	-166.8	177.4	0	0	0	0	0	112.4	D102 G103 R337	G100-D102 PolarHBondContact O-N 3.44Å; G100-D102 VanDerWaalsContact O-N 3.1Å; G100-G103 PolarHBondContact O-N 3.03Å; G100-R337 VanDerWaalsContact CA-NH1 3.32Å
101	E	51.9	Low	73.3	Confident	208 Å²	208	32.4 Å²	32.4	97%	0.972	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.7	175.1	-63.8	-179.6	176.3	0	0	112.8	G103	E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 3.23Å
102	D	53.2	Low	74.1	Confident	106 Å²	106	31 Å²	31	57%	0.567	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.5	178.3	-53.9	-48.6	0	0	0	114.5	G100 V104	G100-D102 PolarHBondContact O-N 3.44Å; G100-D102 VanDerWaalsContact O-N 3.1Å; D102-V104 PolarHBondContact O-N 3.37Å; D102-V104 VanDerWaalsContact O-N 3.09Å
103	G	54.1	Low	74.6	Confident	62 Å²	62	31.7 Å²	31.7	64%	0.639	21%	0.211	S	C	*	.			trans	71.4	-3.6	-178.9	0	0	0	0	0	115.7	G100 E101	G100-G103 PolarHBondContact O-N 3.03Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 3.23Å
104	V	58.7	Low	75.1	Confident	30 Å²	30	32.8 Å²	32.8	18%	0.182	22%	0.216	C	C	.	.			trans	-86.7	115.4	-178.3	-170	0	0	0	0	110.8	D102 R337 E340	D102-V104 PolarHBondContact O-N 3.37Å; D102-V104 VanDerWaalsContact O-N 3.09Å; V104-R337 VanDerWaalsContact O-CZ 3.24Å; V104-R337 PolarHBondContact O-NE 2.96Å; V104-R337 PolarHBondContact O-NH2 3.28Å; V104-E340 VanDerWaalsContact CG1-OE1 3.23Å; V104-E340 WeakPolarHBondContact CG1-OE1 3.31Å
105	A	68.9	Low	75.7	Confident	13 Å²	13	31.9 Å²	31.9	11%	0.107	21%	0.206	C	C	.	.			trans	-83.2	145.2	169.8	0	0	0	0	0	110.1	L151	A105-L151 HydrophobicContact CB-CD2 3.83Å; A105-L151 WeakPolarHBondContact O-CD2 3.41Å
106	T	75.3	Confident	76.4	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.031	20%	0.197	C	C	.	.			trans	-127.7	128	173.5	-43.7	0	0	0	0	108	C96 Y153 R337 E340	C96-T106 PolarHBondContact O-N 3.35Å; C96-T106 VanDerWaalsContact O-N 3.11Å; T106-Y153 HydrophobicContact CG2-CD1 4.06Å; T106-R337 WeakPolarHBondContact OG1-CG 3.49Å; T106-E340 PolarHBondContact OG1-OE2 3.08Å
107	A	81.7	Confident	77	Confident	2 Å²	2	29.6 Å²	29.6	2%	0.017	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.9	173.9	0	0	0	0	0	110.2	W149 L151 V155	A107-W149 HydrophobicContact CB-CE3 3.93Å; A107-W149 HydrophobicContact CB-CZ3 3.74Å; A107-L151 HydrophobicContact CB-CD1 3.56Å; A107-V155 PolarHBondContact O-N 2.61Å; A107-V155 VanDerWaalsContact O-N 3.13Å
108	T	88.4	Confident	77.7	Confident	6 Å²	6	30.4 Å²	30.4	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.3	168.3	-51.9	0	0	0	0	108.4	T83 V84 V155 T157 S335	T83-T108 VanDerWaalsContact CB-O 3.26Å; T83-T108 WeakPolarHBondContact CB-O 3.39Å; T83-T108 WeakPolarHBondContact CG2-O 3.48Å; V84-T108 HydrophobicContact CG1-CG2 3.52Å; T108-V155 CarbonylContact C-O 3.52Å; T108-V155 VanDerWaalsContact CA-O 3.24Å; T108-V155 WeakPolarHBondContact CA-O 3.26Å; T108-V155 HydrophobicContact CG2-CB 4.02Å; T108-V155 HydrophobicContact CG2-CG1 3.96Å; T108-T157 HydrophobicContact CG2-CG2 3.95Å; T108-S335 WeakPolarHBondContact OG1-CB 3.25Å; T108-S335 PolarHBondContact OG1-OG 3.31Å; T108-S335 VanDerWaalsContact OG1-OG 3.14Å
109	V	91.6	Very high	78.8	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.4	177.7	-175.2	0	0	0	0	108.5	L111 T142 I146 W149 V155 L156 T157	V109-L111 HydrophobicContact CG1-CD2 4.1Å; V109-T142 HydrophobicContact CB-CG2 4.5Å; V109-T142 HydrophobicContact CG1-CG2 3.97Å; V109-I146 HydrophobicContact CG2-CD1 4.42Å; V109-W149 HydrophobicContact CG2-CH2 4.01Å; V109-W149 HydrophobicContact CG2-CZ3 3.75Å; V109-V155 PolarHBondContact N-O 3.13Å; V109-L156 HydrophobicContact CB-CD2 4.11Å; V109-T157 PolarHBondContact O-N 2.84Å
110	M	93	Very high	80.3	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.7	176.1	-170.8	165.8	79.7	0	0	109.2	H82 E87 G113 D114 V125 T157 V159	H82-M110 HydrophobicContact CB-CB 4.22Å; H82-M110 HydrophobicContact CB-CE 4.06Å; H82-M110 PolarHBondContact O-N 3.5Å; E87-M110 HydrophobicContact CB-CE 4.14Å; E87-M110 HydrophobicContact CG-CE 3.65Å; M110-G113 WeakPolarHBondContact CE-O 3.25Å; M110-D114 HydrophobicContact CE-CB 4.43Å; M110-V125 HydrophobicContact SD-CG2 4.19Å; M110-T157 CarbonylContact C-O 3.54Å; M110-T157 WeakPolarHBondContact CA-O 3.32Å; M110-T157 HydrophobicContact CB-CG2 3.87Å; M110-T157 HydrophobicContact CG-CG2 3.95Å; M110-V159 HydrophobicContact CE-CG1 4.21Å; M110-V159 HydrophobicContact CG-CG1 4.33Å; M110-V159 HydrophobicContact SD-CG1 4.04Å
111	L	94.2	Very high	82.2	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	165.3	-179.8	-54.1	179.3	0	0	0	111.3	V109 G113 E138 T142 L156 T157 S158 V159 I176 T179	V109-L111 HydrophobicContact CG1-CD2 4.1Å; L111-G113 VanDerWaalsContact C-N 3.26Å; L111-E138 WeakPolarHBondContact CA-OE2 3.37Å; L111-E138 HydrophobicContact CD2-CG 4.44Å; L111-T142 HydrophobicContact CD2-CG2 4.13Å; L111-L156 HydrophobicContact CD1-CB 4.19Å; L111-L156 HydrophobicContact CD1-CD1 4.34Å; L111-T157 PolarHBondContact N-O 3.35Å; L111-S158 WeakPolarHBondContact O-CA 3.42Å; L111-V159 PolarHBondContact O-N 2.95Å; L111-I176 HydrophobicContact CD1-CB 4.38Å; L111-I176 HydrophobicContact CD1-CG1 4.13Å; L111-I176 HydrophobicContact CD1-CG2 4.24Å; L111-T179 HydrophobicContact CD1-CG2 3.99Å; L111-T179 HydrophobicContact CD2-CG2 4.02Å
112	L	92	Very high	84.2	Confident	11 Å²	11	27.7 Å²	27.7	6%	0.058	17%	0.169	C	C	.	.	S	Bend	trans	66.6	26.2	-177.5	-47.1	176.2	0	0	0	113.1	L134 E138 V159 H175 I176	L112-L134 HydrophobicContact CB-CD1 4.42Å; L112-L134 HydrophobicContact CD2-CD1 3.78Å; L112-L134 HydrophobicContact CD2-CD2 3.9Å; L112-E138 PolarHBondContact N-OE2 3.42Å; L112-V159 HydrophobicContact CB-CG2 3.68Å; L112-V159 VanDerWaalsContact O-CG2 3.31Å; L112-V159 WeakPolarHBondContact O-CG2 3.26Å; L112-H175 HydrophobicContact CD2-CB 3.84Å; L112-I176 HydrophobicContact CD1-CD1 4.4Å
113	G	89.6	Confident	86.1	Confident	18 Å²	18	24.8 Å²	24.8	19%	0.186	16%	0.156	C	C	.	.			trans	78.4	-157.8	-179.5	0	0	0	0	0	114.9	M110 L111	M110-G113 WeakPolarHBondContact CE-O 3.25Å; L111-G113 VanDerWaalsContact C-N 3.26Å
114	D	89.4	Confident	87.8	Confident	34 Å²	34	23.1 Å²	23.1	18%	0.182	14%	0.135	C	C	.	.	S	Bend	trans	-105.2	-1.7	-173	71.4	-5.1	0	0	0	115.1	M110 V125 R126	M110-D114 HydrophobicContact CE-CB 4.43Å; D114-V125 WeakPolarHBondContact O-CG1 3.42Å; D114-R126 WeakPolarHBondContact O-CB 3.31Å; D114-R126 PolarHBondContact O-N 3.14Å
115	T	90.1	Very high	89.3	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.9	-167.2	-60.7	0	0	0	0	111.2	R126 A128 P131	T115-R126 CarbonylContact C-O 3.58Å; T115-R126 WeakPolarHBondContact CA-O 3.44Å; T115-R126 VanDerWaalsContact OG1-CZ 3.23Å; T115-R126 PolarHBondContact OG1-NE 3.3Å; T115-R126 PolarHBondContact OG1-NH2 2.96Å; T115-A128 HydrophobicContact CG2-CB 3.5Å; T115-P131 HydrophobicContact CG2-CB 3.96Å
116	C	91.1	Very high	90.2	Very high	15 Å²	15	28.2 Å²	28.2	10%	0.101	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	150.6	177.7	-168.2	0	0	0	0	111.9	R118 V125 R126 T127 A128 V159 D160	C116-R118 PolarHBondContact SG-N 2.98Å; C116-V125 HydrophobicContact CB-CG1 3.84Å; C116-R126 PolarHBondContact N-O 3.28Å; C116-T127 VanDerWaalsContact O-CA 3.27Å; C116-T127 WeakPolarHBondContact O-CA 3.2Å; C116-A128 PolarHBondContact O-N 3.05Å; C116-A128 VanDerWaalsContact O-N 3.09Å; C116-V159 HydrophobicContact CB-CB 3.92Å; C116-V159 HydrophobicContact CB-CG1 4.17Å; C116-D160 PolarHBondContact SG-N 3.44Å; C116-D160 VanDerWaalsContact SG-N 3.41Å
117	T	89.8	Confident	90.9	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	17%	0.172	C	C	.	.	S	Bend	trans	-90.6	-13.8	171.7	64.6	0	0	0	0	112.7	P131 D160 V162 R235	T117-P131 HydrophobicContact CG2-CG 4.07Å; T117-D160 PolarHBondContact N-O 3.47Å; T117-D160 PolarHBondContact OG1-O 2.69Å; T117-V162 PolarHBondContact OG1-N 3.02Å; T117-R235 PolarHBondContact O-NH2 3.39Å
118	R	90.9	Very high	91.2	Very high	18 Å²	18	33.3 Å²	33.3	7%	0.068	18%	0.184	C	C	.	.			trans	-88.7	136	173.8	-67.7	-171	-173	-164.7	2.2	112.2	C116 T127 D160 D198 D233	C116-R118 PolarHBondContact SG-N 2.98Å; R118-T127 WeakPolarHBondContact O-CG2 3.35Å; R118-D160 HydrophobicContact CG-CB 4.03Å; R118-D160 IonicContact CZ-OD2 3.61Å; R118-D160 IonicContact NE-OD2 2.64Å; R118-D160 PolarHBondContact NE-OD2 3.02Å; R118-D160 IonicContact NH1-OD2 3.44Å; R118-D160 IonicContact NH2-OD2 2.84Å; R118-D160 PolarHBondContact NH2-OD2 3.43Å; R118-D198 IonicContact CZ-OD1 2.97Å; R118-D198 IonicContact CZ-OD2 2.62Å; R118-D198 VanDerWaalsContact NH1-CG 3.29Å; R118-D198 IonicContact NH1-OD1 3.82Å; R118-D198 PolarHBondContact NH1-OD1 3.23Å; R118-D198 IonicContact NH1-OD2 3.38Å; R118-D198 PolarHBondContact NH1-OD2 2.99Å; R118-D198 IonicContact NH2-OD1 2.6Å; R118-D198 PolarHBondContact NH2-OD1 2.9Å; R118-D198 IonicContact NH2-OD2 3.04Å; R118-D233 WeakPolarHBondContact CA-OD2 3.48Å; R118-D233 HydrophobicContact CB-CB 3.88Å; R118-D233 HydrophobicContact CG-CB 4.17Å
119	A	91.8	Very high	91	Very high	59 Å²	59	40.7 Å²	40.7	49%	0.488	22%	0.223	S	C	.	.			trans	-105.7	56.1	-179.3	0	0	0	0	0	112.2	R121 T127 D233	A119-R121 PolarHBondContact O-N 2.92Å; A119-T127 HydrophobicContact CB-CG2 4.45Å; A119-D233 PolarHBondContact N-OD2 3.45Å
120	C	95.3	Very high	90.6	Very high	22 Å²	22	50.5 Å²	50.5	15%	0.149	26%	0.259	C	S	.	.			trans	-62	127.9	174.3	-67.6	0	0	0	0	110.8	F122 C123 D233	C120-F122 HydrophobicContact CB-CD1 3.86Å; C120-F122 HydrophobicContact CB-CE1 3.53Å; C120-F122 HydrophobicContact CB-CZ 4.14Å; C120-F122 PolarHBondContact O-N 3.36Å; C120-C123 HydrophobicContact CB-CB 4.03Å; C120-C123 PolarHBondContact O-N 2.9Å; C120-C123 VanDerWaalsContact O-N 3.16Å; C120-D233 PolarHBondContact SG-N 3.36Å; C120-D233 VanDerWaalsContact SG-N 3.42Å
121	R	95.6	Very high	90.2	Very high	138 Å²	138	51.3 Å²	51.3	52%	0.521	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.9	-169	-56.4	-169	-172.5	157.3	-8.8	114.7	A119 Y230 V231 H299 L300	A119-R121 PolarHBondContact O-N 2.92Å; R121-Y230 VanDerWaalsContact CD-O 3.3Å; R121-Y230 WeakPolarHBondContact CD-O 3.32Å; R121-Y230 PolarHBondContact NH1-O 2.81Å; R121-Y230 VanDerWaalsContact NH1-O 3.15Å; R121-V231 PolarHBondContact N-O 3.48Å; R121-H299 WeakPolarHBondContact O-CA 3.36Å; R121-H299 WeakPolarHBondContact O-CB 3.46Å; R121-L300 HydrophobicContact CB-CD1 3.96Å; R121-L300 HydrophobicContact CB-CD2 3.95Å; R121-L300 HydrophobicContact CB-CG 3.72Å; R121-L300 PolarHBondContact O-N 2.96Å
122	F	94.3	Very high	89.7	Confident	23 Å²	23	55.2 Å²	55.2	10%	0.101	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-21.4	175.5	71.7	-93.3	0	0	0	113	C120 E222 V231 R232 M262 Y292 L300	C120-F122 HydrophobicContact CB-CD1 3.86Å; C120-F122 HydrophobicContact CB-CE1 3.53Å; C120-F122 HydrophobicContact CB-CZ 4.14Å; C120-F122 PolarHBondContact O-N 3.36Å; F122-E222 HydrophobicContact CE1-CB 4.24Å; F122-E222 HydrophobicContact CE1-CG 4.09Å; F122-E222 HydrophobicContact CZ-CB 4.21Å; F122-E222 HydrophobicContact CZ-CG 3.7Å; F122-V231 HydrophobicContact CB-CG1 4.4Å; F122-V231 HydrophobicContact CD1-CG1 3.52Å; F122-V231 HydrophobicContact CE1-CG1 4.18Å; F122-V231 HydrophobicContact CG-CG1 4.3Å; F122-R232 HydrophobicContact CE1-CG 4.33Å; F122-M262 HydrophobicContact CB-CE 4.28Å; F122-M262 HydrophobicContact CD1-CE 3.9Å; F122-M262 HydrophobicContact CD2-CE 3.45Å; F122-M262 VanDerWaalsContact CD2-CE 3.45Å; F122-M262 HydrophobicContact CD2-SD 3.67Å; F122-M262 HydrophobicContact CE1-CE 4.01Å; F122-M262 HydrophobicContact CE2-CE 3.59Å; F122-M262 HydrophobicContact CE2-SD 3.96Å; F122-M262 HydrophobicContact CG-CE 3.61Å; F122-M262 HydrophobicContact CG-SD 4.27Å; F122-M262 HydrophobicContact CZ-CE 3.87Å; F122-Y292 HydrophobicContact CB-CD2 4.29Å; F122-Y292 HydrophobicContact CB-CE2 3.68Å; F122-L300 HydrophobicContact CB-CD1 4.43Å
123	C	92.2	Very high	89.3	Confident	44 Å²	44	61.5 Å²	61.5	30%	0.297	33%	0.33	S	S	.	.			trans	-94	135.8	-167.3	-173.3	0	0	0	0	110.9	C120 V125 H299	C120-C123 HydrophobicContact CB-CB 4.03Å; C120-C123 PolarHBondContact O-N 2.9Å; C120-C123 VanDerWaalsContact O-N 3.16Å; C123-V125 VanDerWaalsContact SG-CG2 3.58Å; C123-H299 PolarHBondContact O-CD2 3.22Å; C123-H299 VanDerWaalsContact O-CD2 3.25Å; C123-H299 PolarHBondContact O-NE2 3.26Å
124	S	90.4	Very high	89.2	Confident	28 Å²	28	63.1 Å²	63.1	20%	0.196	33%	0.334	C	S	.	.			trans	-98.1	4.1	179.8	64	0	0	0	0	115.2	E87 A88 H299	E87-S124 PolarHBondContact O-OG 3.42Å; A88-S124 WeakPolarHBondContact CA-OG 3.42Å; S124-H299 WeakPolarHBondContact CA-NE2 2.97Å
125	V	89.6	Confident	89.2	Confident	17 Å²	17	64 Å²	64	10%	0.103	34%	0.338	C	S	.	.	S	Bend	trans	-59.3	140.8	171.9	173.2	0	0	0	0	108.9	M110 D114 C116 C123 T127 V159	M110-V125 HydrophobicContact SD-CG2 4.19Å; D114-V125 WeakPolarHBondContact O-CG1 3.42Å; C116-V125 HydrophobicContact CB-CG1 3.84Å; C123-V125 VanDerWaalsContact SG-CG2 3.58Å; V125-T127 PolarHBondContact O-N 2.87Å; V125-V159 HydrophobicContact CG1-CG1 3.71Å
126	R	88.8	Confident	89.2	Confident	133 Å²	133	68 Å²	68	50%	0.502	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.4	-178.7	-169.1	176.6	104	176.3	9.5	109.9	D114 T115 C116	D114-R126 WeakPolarHBondContact O-CB 3.31Å; D114-R126 PolarHBondContact O-N 3.14Å; T115-R126 CarbonylContact C-O 3.58Å; T115-R126 WeakPolarHBondContact CA-O 3.44Å; T115-R126 VanDerWaalsContact OG1-CZ 3.23Å; T115-R126 PolarHBondContact OG1-NE 3.3Å; T115-R126 PolarHBondContact OG1-NH2 2.96Å; C116-R126 PolarHBondContact N-O 3.28Å
127	T	89.5	Confident	89.4	Confident	81 Å²	81	71.5 Å²	71.5	50%	0.497	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131	-179.8	55.9	0	0	0	0	111.4	C116 R118 A119 V125	C116-T127 VanDerWaalsContact O-CA 3.27Å; C116-T127 WeakPolarHBondContact O-CA 3.2Å; R118-T127 WeakPolarHBondContact O-CG2 3.35Å; A119-T127 HydrophobicContact CB-CG2 4.45Å; V125-T127 PolarHBondContact O-N 2.87Å
128	A	88.4	Confident	89.7	Confident	32 Å²	32	71.4 Å²	71.4	26%	0.264	38%	0.378	S	S	.	.			trans	-147.3	149.4	169.6	0	0	0	0	0	110.9	T115 C116 R130	T115-A128 HydrophobicContact CG2-CB 3.5Å; C116-A128 PolarHBondContact O-N 3.05Å; C116-A128 VanDerWaalsContact O-N 3.09Å; A128-R130 VanDerWaalsContact C-N 3.25Å; A128-R130 PolarHBondContact O-N 3.21Å
129	L	83.7	Confident	90	Very high	162 Å²	162	70.5 Å²	70.5	85%	0.848	38%	0.375	S	S	*	.	S	Bend	trans	-66.1	-30.3	174	-69.3	172.8	0	0	0	112.4
130	R	82.7	Confident	90.2	Very high	206 Å²	206	68.7 Å²	68.7	78%	0.777	36%	0.357	S	S	*	.	S	Bend	trans	-125.4	94	176.8	-65	-175.4	-173.7	174.1	0.3	108.5	A128	A128-R130 VanDerWaalsContact C-N 3.25Å; A128-R130 PolarHBondContact O-N 3.21Å
131	P	84.1	Confident	90.2	Very high	21 Å²	21	70.4 Å²	70.4	14%	0.136	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.8	162.4	172.4	27.3	-34.9	0	0	0	111.1	T115 T117 L163	T115-P131 HydrophobicContact CG2-CB 3.96Å; T117-P131 HydrophobicContact CG2-CG 4.07Å; P131-L163 HydrophobicContact CG-CD2 3.84Å; P131-L163 HydrophobicContact CG-CG 4.5Å
132	P	84	Confident	90.2	Very high	83 Å²	83	63.8 Å²	63.8	54%	0.539	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-58.6	156.6	172.7	-21.8	33.9	0	0	0	112.6	L134	P132-L134 PolarHBondContact O-N 3.45Å
133	T	84.8	Confident	90.3	Very high	144 Å²	144	62.8 Å²	62.8	88%	0.883	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-58.8	135.2	173.3	-50.7	0	0	0	0	110.7
134	L	85.9	Confident	90.3	Very high	51 Å²	51	65.2 Å²	65.2	27%	0.267	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.5	135.7	179	-174.1	58.5	0	0	0	111.1	L112 P132 P136 L168 H175	L112-L134 HydrophobicContact CB-CD1 4.42Å; L112-L134 HydrophobicContact CD2-CD1 3.78Å; L112-L134 HydrophobicContact CD2-CD2 3.9Å; P132-L134 PolarHBondContact O-N 3.45Å; L134-P136 VanDerWaalsContact O-CD 3.26Å; L134-P136 WeakPolarHBondContact O-CD 3.44Å; L134-L168 HydrophobicContact CD2-CD1 4.48Å; L134-H175 HydrophobicContact CD2-CB 4.1Å; L134-H175 VanDerWaalsContact CD2-ND1 3.28Å; L134-H175 WeakPolarHBondContact CD2-ND1 3.46Å
135	D	90	Very high	90.4	Very high	53 Å²	53	63.9 Å²	63.9	28%	0.283	33%	0.331	S	S	.	.			trans	-75.6	110.9	171.5	-179.9	-1.8	0	0	0	109.1	E137 E138 K141 H175	D135-E137 PolarHBondContact O-N 2.82Å; D135-E137 PolarHBondContact OD1-N 3.41Å; D135-E138 HydrophobicContact CB-CB 4.22Å; D135-E138 WeakPolarHBondContact O-CB 3.45Å; D135-E138 PolarHBondContact O-N 2.76Å; D135-K141 IonicContact OD1-NZ 2.61Å; D135-K141 PolarHBondContact OD1-NZ 2.97Å; D135-K141 IonicContact OD2-NZ 3.81Å; D135-K141 PolarHBondContact OD2-NZ 3.49Å; D135-H175 PolarHBondContact O-CE1 2.88Å; D135-H175 VanDerWaalsContact O-CE1 3.3Å
136	P	91.3	Very high	90.4	Very high	84 Å²	84	63.2 Å²	63.2	55%	0.545	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	-178.3	26.9	-35.1	0	0	0	113.2	L134 P139 R178	L134-P136 VanDerWaalsContact O-CD 3.26Å; L134-P136 WeakPolarHBondContact O-CD 3.44Å; P136-P139 WeakPolarHBondContact O-CD 3.09Å; P136-R178 PolarHBondContact O-NH1 2.74Å
137	E	94.9	Very high	90.5	Very high	90 Å²	90	59 Å²	59	42%	0.421	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.2	179.3	-62.9	-60.8	104.9	0	0	113.4	D135 P139 V140 K141	D135-E137 PolarHBondContact O-N 2.82Å; D135-E137 PolarHBondContact OD1-N 3.41Å; E137-P139 VanDerWaalsContact C-N 3.3Å; E137-V140 PolarHBondContact O-N 3.36Å; E137-K141 HydrophobicContact CB-CD 4.35Å; E137-K141 WeakPolarHBondContact O-CG 3.24Å; E137-K141 PolarHBondContact O-N 3.08Å
138	E	95.2	Very high	90.4	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-50.6	-40.3	174.3	175.8	-178	-98.5	0	0	113.2	L81 L111 L112 D135 V140 K141 T142 H175	L81-E138 HydrophobicContact CD2-CG 4.27Å; L111-E138 WeakPolarHBondContact CA-OE2 3.37Å; L111-E138 HydrophobicContact CD2-CG 4.44Å; L112-E138 PolarHBondContact N-OE2 3.42Å; D135-E138 HydrophobicContact CB-CB 4.22Å; D135-E138 WeakPolarHBondContact O-CB 3.45Å; D135-E138 PolarHBondContact O-N 2.76Å; E138-V140 PolarHBondContact O-N 2.9Å; E138-K141 PolarHBondContact O-N 3.03Å; E138-T142 WeakPolarHBondContact O-CB 3.42Å; E138-T142 PolarHBondContact O-N 3.13Å; E138-T142 PolarHBondContact O-OG1 3.26Å; E138-H175 IonicContact OE2-CD2 2.75Å; E138-H175 PolarHBondContact OE2-CD2 2.65Å; E138-H175 IonicContact OE2-NE2 3.52Å; E138-H175 PolarHBondContact OE2-NE2 2.79Å; E138-H175 VanDerWaalsContact OE2-NE2 3.08Å
139	P	96.9	Very high	90.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-43.1	179.4	-27.3	39.5	0	0	0	112.8	P136 E137 A143 H175 R178 T179 E182	P136-P139 WeakPolarHBondContact O-CD 3.09Å; E137-P139 VanDerWaalsContact C-N 3.3Å; P139-A143 WeakPolarHBondContact O-CB 3.45Å; P139-A143 PolarHBondContact O-N 2.95Å; P139-H175 WeakPolarHBondContact CD-CE1 3.45Å; P139-H175 VanDerWaalsContact CD-NE2 3.35Å; P139-H175 WeakPolarHBondContact CD-NE2 3.3Å; P139-H175 VanDerWaalsContact CG-CE1 3.43Å; P139-H175 WeakPolarHBondContact CG-CE1 3.39Å; P139-H175 WeakPolarHBondContact CG-NE2 3.26Å; P139-R178 HydrophobicContact CB-CB 4.31Å; P139-R178 HydrophobicContact CB-CG 3.9Å; P139-R178 HydrophobicContact CG-CB 4.44Å; P139-R178 HydrophobicContact CG-CG 4.29Å; P139-T179 WeakPolarHBondContact CA-OG1 3.33Å; P139-T179 WeakPolarHBondContact CB-OG1 3.39Å; P139-E182 HydrophobicContact CB-CG 4.47Å
140	V	96.8	Very high	90.2	Very high	21 Å²	21	55.5 Å²	55.5	13%	0.127	30%	0.303	C	S	.	.	H	α-helix	trans	-69.7	-48.2	-179.7	178.1	0	0	0	0	109.9	E137 E138 T142 A143 E144	E137-V140 PolarHBondContact O-N 3.36Å; E138-V140 PolarHBondContact O-N 2.9Å; V140-T142 VanDerWaalsContact C-N 3.3Å; V140-T142 PolarHBondContact O-N 2.94Å; V140-A143 PolarHBondContact O-N 3.42Å; V140-E144 WeakPolarHBondContact O-CG 3.3Å; V140-E144 PolarHBondContact O-N 3.27Å
141	K	95.6	Very high	90.3	Very high	57 Å²	57	46 Å²	46	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-41.2	177.7	-68.7	169.4	-172.7	168	0	112	L81 D135 E137 E138 E144 A145	L81-K141 HydrophobicContact CD2-CB 4.41Å; D135-K141 IonicContact OD1-NZ 2.61Å; D135-K141 PolarHBondContact OD1-NZ 2.97Å; D135-K141 IonicContact OD2-NZ 3.81Å; D135-K141 PolarHBondContact OD2-NZ 3.49Å; E137-K141 HydrophobicContact CB-CD 4.35Å; E137-K141 WeakPolarHBondContact O-CG 3.24Å; E137-K141 PolarHBondContact O-N 3.08Å; E138-K141 PolarHBondContact O-N 3.03Å; K141-E144 PolarHBondContact O-N 2.99Å; K141-A145 WeakPolarHBondContact O-CB 3.34Å; K141-A145 PolarHBondContact O-N 2.89Å
142	T	95.5	Very high	90.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-46.2	177.2	-62.7	0	0	0	0	111.1	L81 V109 L111 E138 V140 E144 A145 I146 L156 T179	L81-T142 VanDerWaalsContact CD2-OG1 3.26Å; L81-T142 WeakPolarHBondContact CD2-OG1 3.12Å; V109-T142 HydrophobicContact CB-CG2 4.5Å; V109-T142 HydrophobicContact CG1-CG2 3.97Å; L111-T142 HydrophobicContact CD2-CG2 4.13Å; E138-T142 WeakPolarHBondContact O-CB 3.42Å; E138-T142 PolarHBondContact O-N 3.13Å; E138-T142 PolarHBondContact O-OG1 3.26Å; V140-T142 VanDerWaalsContact C-N 3.3Å; V140-T142 PolarHBondContact O-N 2.94Å; T142-E144 VanDerWaalsContact C-N 3.35Å; T142-E144 PolarHBondContact O-N 3.43Å; T142-A145 WeakPolarHBondContact O-CB 3.37Å; T142-A145 PolarHBondContact O-N 3.43Å; T142-I146 HydrophobicContact CG2-CD1 3.59Å; T142-I146 HydrophobicContact CG2-CG1 4.46Å; T142-I146 WeakPolarHBondContact O-CD1 3.46Å; T142-I146 VanDerWaalsContact O-CG1 3.31Å; T142-I146 WeakPolarHBondContact O-CG1 3.19Å; T142-I146 PolarHBondContact O-N 3.09Å; T142-L156 HydrophobicContact CG2-CD2 4.3Å; T142-T179 HydrophobicContact CG2-CG2 3.64Å
143	A	95.5	Very high	90.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-39.6	178.6	0	0	0	0	0	112.6	P139 V140 A147 E182 I183	P139-A143 WeakPolarHBondContact O-CB 3.45Å; P139-A143 PolarHBondContact O-N 2.95Å; V140-A143 PolarHBondContact O-N 3.42Å; A143-A147 WeakPolarHBondContact O-CB 3.21Å; A143-A147 PolarHBondContact O-N 3.23Å; A143-E182 HydrophobicContact CB-CB 3.58Å; A143-I183 HydrophobicContact CB-CG1 3.83Å
144	E	93.6	Very high	90.6	Very high	95 Å²	95	38.3 Å²	38.3	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-45.5	173.2	-72.7	176.1	174.1	0	0	112	V140 K141 T142 I146 A147 E148	V140-E144 WeakPolarHBondContact O-CG 3.3Å; V140-E144 PolarHBondContact O-N 3.27Å; K141-E144 PolarHBondContact O-N 2.99Å; T142-E144 VanDerWaalsContact C-N 3.35Å; T142-E144 PolarHBondContact O-N 3.43Å; E144-I146 PolarHBondContact O-N 3.44Å; E144-A147 PolarHBondContact O-N 3.06Å; E144-E148 WeakPolarHBondContact O-CB 3.37Å; E144-E148 PolarHBondContact O-N 2.77Å
145	A	91.3	Very high	90.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-49.1	177.2	0	0	0	0	0	111.7	L79 L81 K141 T142 A147 E148 W149	L79-A145 HydrophobicContact CD1-CB 3.37Å; L81-A145 HydrophobicContact CD1-CB 3.66Å; K141-A145 WeakPolarHBondContact O-CB 3.34Å; K141-A145 PolarHBondContact O-N 2.89Å; T142-A145 WeakPolarHBondContact O-CB 3.37Å; T142-A145 PolarHBondContact O-N 3.43Å; A145-A147 VanDerWaalsContact C-N 3.33Å; A145-A147 PolarHBondContact O-N 2.82Å; A145-E148 PolarHBondContact O-N 3.05Å; A145-W149 HydrophobicContact CB-CH2 4.06Å; A145-W149 HydrophobicContact CB-CZ2 3.79Å; A145-W149 VanDerWaalsContact O-CD1 3.26Å; A145-W149 VanDerWaalsContact O-CD2 3.3Å; A145-W149 PolarHBondContact O-N 3.06Å
146	I	90.9	Very high	91.1	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-177.7	-70.1	163.6	0	0	0	110.8	V109 T142 E144 W149 G150 V154 L156 I183 I190	V109-I146 HydrophobicContact CG2-CD1 4.42Å; T142-I146 HydrophobicContact CG2-CD1 3.59Å; T142-I146 HydrophobicContact CG2-CG1 4.46Å; T142-I146 WeakPolarHBondContact O-CD1 3.46Å; T142-I146 VanDerWaalsContact O-CG1 3.31Å; T142-I146 WeakPolarHBondContact O-CG1 3.19Å; T142-I146 PolarHBondContact O-N 3.09Å; E144-I146 PolarHBondContact O-N 3.44Å; I146-W149 HydrophobicContact CG1-CE3 4.12Å; I146-W149 HydrophobicContact CG1-CZ3 4.01Å; I146-W149 PolarHBondContact O-N 3.14Å; I146-G150 PolarHBondContact O-N 3.3Å; I146-V154 HydrophobicContact CD1-CB 4.46Å; I146-V154 HydrophobicContact CD1-CG1 4.29Å; I146-V154 HydrophobicContact CD1-CG2 3.74Å; I146-V154 HydrophobicContact CG1-CG2 4.08Å; I146-V154 HydrophobicContact CG2-CB 4.42Å; I146-V154 HydrophobicContact CG2-CG1 4.36Å; I146-L156 HydrophobicContact CD1-CD2 4.05Å; I146-I183 HydrophobicContact CD1-CD1 3.4Å; I146-I183 HydrophobicContact CD1-CG1 3.82Å; I146-I183 HydrophobicContact CG2-CG2 4.35Å; I146-I190 HydrophobicContact CG2-CD1 3.35Å
147	A	89.7	Confident	91.2	Very high	46 Å²	46	30.4 Å²	30.4	38%	0.38	17%	0.169	S	C	.	.	H	α-helix	trans	-63.3	-43.7	174.2	0	0	0	0	0	111.7	A143 E144 A145 W149 G150 R186	A143-A147 WeakPolarHBondContact O-CB 3.21Å; A143-A147 PolarHBondContact O-N 3.23Å; E144-A147 PolarHBondContact O-N 3.06Å; A145-A147 VanDerWaalsContact C-N 3.33Å; A145-A147 PolarHBondContact O-N 2.82Å; A147-W149 VanDerWaalsContact C-N 3.31Å; A147-W149 PolarHBondContact O-N 2.98Å; A147-G150 PolarHBondContact O-N 2.75Å; A147-R186 HydrophobicContact CB-CB 4.42Å
148	E	87.6	Confident	91.1	Very high	130 Å²	130	26.9 Å²	26.9	61%	0.607	15%	0.154	S	C	*	.	H	α-helix	trans	-64.3	-34.9	176.2	-171.5	-172.2	158.5	0	0	112.3	E144 A145 G150	E144-E148 WeakPolarHBondContact O-CB 3.37Å; E144-E148 PolarHBondContact O-N 2.77Å; A145-E148 PolarHBondContact O-N 3.05Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 3.24Å
149	W	85.9	Confident	90.8	Very high	14 Å²	14	26.6 Å²	26.6	5%	0.053	15%	0.153	C	C	.	.	H	α-helix	trans	-71.7	-19.2	179.2	-62.8	-14.8	0	0	0	113.6	S75 L76 A107 V109 A145 I146 A147 L151	S75-W149 PolarHBondContact OG-NE1 2.99Å; L76-W149 HydrophobicContact CD2-CH2 3.56Å; L76-W149 HydrophobicContact CD2-CZ2 3.81Å; L76-W149 HydrophobicContact CG-CH2 4.17Å; L76-W149 HydrophobicContact CG-CZ2 3.97Å; A107-W149 HydrophobicContact CB-CE3 3.93Å; A107-W149 HydrophobicContact CB-CZ3 3.74Å; V109-W149 HydrophobicContact CG2-CH2 4.01Å; V109-W149 HydrophobicContact CG2-CZ3 3.75Å; A145-W149 HydrophobicContact CB-CH2 4.06Å; A145-W149 HydrophobicContact CB-CZ2 3.79Å; A145-W149 VanDerWaalsContact O-CD1 3.26Å; A145-W149 VanDerWaalsContact O-CD2 3.3Å; A145-W149 PolarHBondContact O-N 3.06Å; I146-W149 HydrophobicContact CG1-CE3 4.12Å; I146-W149 HydrophobicContact CG1-CZ3 4.01Å; I146-W149 PolarHBondContact O-N 3.14Å; A147-W149 VanDerWaalsContact C-N 3.31Å; A147-W149 PolarHBondContact O-N 2.98Å; W149-L151 VanDerWaalsContact C-N 3.32Å; W149-L151 HydrophobicContact CB-CD1 4.29Å; W149-L151 HydrophobicContact CB-CD2 4.07Å; W149-L151 HydrophobicContact CB-CG 3.77Å; W149-L151 HydrophobicContact CE3-CD1 3.78Å; W149-L151 PolarHBondContact O-N 3.17Å
150	G	82.3	Confident	90.1	Very high	56 Å²	56	27.1 Å²	27.1	58%	0.577	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	33.3	178	0	0	0	0	0	113.3	I146 A147 E148	I146-G150 PolarHBondContact O-N 3.3Å; A147-G150 PolarHBondContact O-N 2.75Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 3.24Å
151	L	83.5	Confident	88.9	Confident	6 Å²	6	26.3 Å²	26.3	3%	0.031	15%	0.152	C	C	.	.			trans	-76.3	145.8	-178.5	-52.9	-178.6	0	0	0	111.2	A105 A107 W149 I190	A105-L151 HydrophobicContact CB-CD2 3.83Å; A105-L151 WeakPolarHBondContact O-CD2 3.41Å; A107-L151 HydrophobicContact CB-CD1 3.56Å; W149-L151 VanDerWaalsContact C-N 3.32Å; W149-L151 HydrophobicContact CB-CD1 4.29Å; W149-L151 HydrophobicContact CB-CD2 4.07Å; W149-L151 HydrophobicContact CB-CG 3.77Å; W149-L151 HydrophobicContact CE3-CD1 3.78Å; W149-L151 PolarHBondContact O-N 3.17Å; L151-I190 HydrophobicContact CB-CD1 4.38Å; L151-I190 WeakPolarHBondContact O-CD1 3.38Å; L151-I190 WeakPolarHBondContact O-CG1 3.41Å
152	N	82.9	Confident	87.3	Confident	82 Å²	82	26 Å²	26	44%	0.439	16%	0.155	S	C	.	.	S	Bend	trans	-90.8	-18.5	170.4	-66.6	-51.3	0	0	0	112.5	L191	N152-L191 PolarHBondContact O-N 3.45Å
153	Y	86.3	Confident	85.3	Confident	6 Å²	6	27.9 Å²	27.9	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.6	-179.2	-165.7	-84.2	0	0	0	110	T106 V155 L191 E193 E340 L343	T106-Y153 HydrophobicContact CG2-CD1 4.06Å; Y153-V155 HydrophobicContact CD1-CG2 4.25Å; Y153-V155 HydrophobicContact CE1-CG2 3.68Å; Y153-L191 WeakPolarHBondContact CA-O 3.43Å; Y153-L191 HydrophobicContact CD2-CB 3.45Å; Y153-L191 VanDerWaalsContact CD2-CB 3.45Å; Y153-L191 HydrophobicContact CD2-CD1 3.98Å; Y153-L191 HydrophobicContact CD2-CG 4.37Å; Y153-L191 HydrophobicContact CE2-CB 3.93Å; Y153-L191 HydrophobicContact CE2-CD1 4.39Å; Y153-L191 HydrophobicContact CG-CB 4.3Å; Y153-E193 HydrophobicContact CE1-CB 4.03Å; Y153-E193 WeakPolarHBondContact OH-CB 3.31Å; Y153-E193 PolarHBondContact OH-OE2 2.74Å; Y153-E340 WeakPolarHBondContact CB-OE1 3.43Å; Y153-E340 HydrophobicContact CD1-CG 4.37Å; Y153-E340 HydrophobicContact CD2-CB 4.47Å; Y153-E340 HydrophobicContact CD2-CG 3.74Å; Y153-E340 HydrophobicContact CE2-CG 4.45Å; Y153-E340 HydrophobicContact CG-CB 4.44Å; Y153-E340 HydrophobicContact CG-CG 3.69Å; Y153-L343 HydrophobicContact CE2-CB 4.33Å; Y153-L343 WeakPolarHBondContact OH-CD1 3.15Å
154	V	90.3	Very high	83.2	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.9	175.4	65.8	0	0	0	0	110.3	I146 L156 I190 L191 V192 E193	I146-V154 HydrophobicContact CD1-CB 4.46Å; I146-V154 HydrophobicContact CD1-CG1 4.29Å; I146-V154 HydrophobicContact CD1-CG2 3.74Å; I146-V154 HydrophobicContact CG1-CG2 4.08Å; I146-V154 HydrophobicContact CG2-CB 4.42Å; I146-V154 HydrophobicContact CG2-CG1 4.36Å; V154-L156 HydrophobicContact CG2-CD2 4.16Å; V154-I190 HydrophobicContact CB-CD1 4.22Å; V154-I190 HydrophobicContact CG1-CD1 3.87Å; V154-I190 HydrophobicContact CG1-CG1 4.47Å; V154-L191 PolarHBondContact N-O 3.23Å; V154-V192 HydrophobicContact CG1-CB 4.41Å; V154-V192 HydrophobicContact CG1-CG1 4.29Å; V154-V192 HydrophobicContact CG1-CG2 3.98Å; V154-E193 PolarHBondContact O-N 3.46Å
155	V	92.5	Very high	81.1	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.2	169	-175.4	0	0	0	0	107.9	A107 T108 V109 Y153 E193 L195	A107-V155 PolarHBondContact O-N 2.61Å; A107-V155 VanDerWaalsContact O-N 3.13Å; T108-V155 CarbonylContact C-O 3.52Å; T108-V155 VanDerWaalsContact CA-O 3.24Å; T108-V155 WeakPolarHBondContact CA-O 3.26Å; T108-V155 HydrophobicContact CG2-CB 4.02Å; T108-V155 HydrophobicContact CG2-CG1 3.96Å; V109-V155 PolarHBondContact N-O 3.13Å; Y153-V155 HydrophobicContact CD1-CG2 4.25Å; Y153-V155 HydrophobicContact CE1-CG2 3.68Å; V155-E193 CarbonylContact C-O 3.38Å; V155-E193 WeakPolarHBondContact CA-O 3.36Å; V155-E193 HydrophobicContact CG1-CG 4.31Å; V155-E193 HydrophobicContact CG2-CB 4.26Å; V155-L195 HydrophobicContact CG1-CB 4.46Å
156	L	94.9	Very high	79.3	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123	167	-56.1	179	0	0	0	107.2	V109 L111 T142 I146 V154 T179 I180 I183 V192 E193 A194 L195	V109-L156 HydrophobicContact CB-CD2 4.11Å; L111-L156 HydrophobicContact CD1-CB 4.19Å; L111-L156 HydrophobicContact CD1-CD1 4.34Å; T142-L156 HydrophobicContact CG2-CD2 4.3Å; I146-L156 HydrophobicContact CD1-CD2 4.05Å; V154-L156 HydrophobicContact CG2-CD2 4.16Å; L156-T179 HydrophobicContact CD1-CG2 4.13Å; L156-I180 HydrophobicContact CD1-CG1 3.57Å; L156-I183 HydrophobicContact CD1-CD1 3.72Å; L156-I183 HydrophobicContact CD2-CD1 4.02Å; L156-I183 HydrophobicContact CG-CD1 4.35Å; L156-V192 HydrophobicContact CD1-CG1 3.78Å; L156-V192 HydrophobicContact CG-CG1 4.13Å; L156-E193 PolarHBondContact N-O 3.28Å; L156-A194 CarbonylContact O-C 3.55Å; L156-A194 WeakPolarHBondContact O-CA 3.35Å; L156-L195 PolarHBondContact O-N 3.17Å
157	T	93.9	Very high	77.9	Confident	19 Å²	19	45.8 Å²	45.8	12%	0.117	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.6	166.2	-168.8	0	0	0	0	108.1	V84 T108 V109 M110 L111 L195	V84-T157 HydrophobicContact CB-CG2 4.21Å; V84-T157 HydrophobicContact CG1-CG2 4.47Å; T108-T157 HydrophobicContact CG2-CG2 3.95Å; V109-T157 PolarHBondContact O-N 2.84Å; M110-T157 CarbonylContact C-O 3.54Å; M110-T157 WeakPolarHBondContact CA-O 3.32Å; M110-T157 HydrophobicContact CB-CG2 3.87Å; M110-T157 HydrophobicContact CG-CG2 3.95Å; L111-T157 PolarHBondContact N-O 3.35Å; T157-L195 VanDerWaalsContact CA-O 3.3Å; T157-L195 WeakPolarHBondContact CA-O 3.3Å; T157-L195 PolarHBondContact OG1-O 2.94Å
158	S	92	Very high	77.2	Confident	15 Å²	15	45.1 Å²	45.1	11%	0.105	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.7	168.2	74.2	0	0	0	0	111	L111 I176 L195 P197	L111-S158 WeakPolarHBondContact O-CA 3.42Å; S158-I176 WeakPolarHBondContact OG-CD1 3.35Å; S158-L195 PolarHBondContact N-O 2.76Å; S158-P197 WeakPolarHBondContact OG-CD 3.26Å; S158-P197 WeakPolarHBondContact OG-CG 3.31Å
159	V	89.2	Confident	76.6	Confident	5 Å²	5	44 Å²	44	3%	0.03	26%	0.262	C	S	.	.			trans	-68.1	166.4	157.3	-60.7	0	0	0	0	109.6	M110 L111 L112 C116 V125	M110-V159 HydrophobicContact CE-CG1 4.21Å; M110-V159 HydrophobicContact CG-CG1 4.33Å; M110-V159 HydrophobicContact SD-CG1 4.04Å; L111-V159 PolarHBondContact O-N 2.95Å; L112-V159 HydrophobicContact CB-CG2 3.68Å; L112-V159 VanDerWaalsContact O-CG2 3.31Å; L112-V159 WeakPolarHBondContact O-CG2 3.26Å; C116-V159 HydrophobicContact CB-CB 3.92Å; C116-V159 HydrophobicContact CB-CG1 4.17Å; V125-V159 HydrophobicContact CG1-CG1 3.71Å
160	D	81.9	Confident	76.8	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.053	27%	0.266	C	S	.	.			trans	-92.7	127.1	165.9	-166.4	-36.5	0	0	0	109	C116 T117 R118 V162 P197	C116-D160 PolarHBondContact SG-N 3.44Å; C116-D160 VanDerWaalsContact SG-N 3.41Å; T117-D160 PolarHBondContact N-O 3.47Å; T117-D160 PolarHBondContact OG1-O 2.69Å; R118-D160 HydrophobicContact CG-CB 4.03Å; R118-D160 IonicContact CZ-OD2 3.61Å; R118-D160 IonicContact NE-OD2 2.64Å; R118-D160 PolarHBondContact NE-OD2 3.02Å; R118-D160 IonicContact NH1-OD2 3.44Å; R118-D160 IonicContact NH2-OD2 2.84Å; R118-D160 PolarHBondContact NH2-OD2 3.43Å; D160-V162 WeakPolarHBondContact OD1-CG2 3.44Å; D160-V162 PolarHBondContact OD1-N 2.96Å; D160-P197 HydrophobicContact CB-CB 4.27Å; D160-P197 HydrophobicContact CB-CG 4.26Å
161	S	72.2	Confident	77	Confident	5 Å²	5	42.5 Å²	42.5	4%	0.035	24%	0.244	C	C	.	.			trans	-119.9	59.7	175.3	-59.5	0	0	0	0	110.7	L163	S161-L163 PolarHBondContact O-N 2.98Å
162	V	61.9	Low	77.4	Confident	51 Å²	51	42.2 Å²	42.2	31%	0.309	24%	0.242	S	C	.	.			trans	-65.9	90.5	160	-160.7	0	0	0	0	108.2	T117 D160	T117-V162 PolarHBondContact OG1-N 3.02Å; D160-V162 WeakPolarHBondContact OD1-CG2 3.44Å; D160-V162 PolarHBondContact OD1-N 2.96Å
163	L	53.2	Low	77.9	Confident	39 Å²	39	38.3 Å²	38.3	20%	0.204	22%	0.221	C	C	.	.			trans	-78.2	176.2	173.2	-77.8	165.8	0	0	0	110.8	P131 S161 D167 L168	P131-L163 HydrophobicContact CG-CD2 3.84Å; P131-L163 HydrophobicContact CG-CG 4.5Å; S161-L163 PolarHBondContact O-N 2.98Å; L163-D167 HydrophobicContact CB-CB 4.01Å; L163-D167 HydrophobicContact CD1-CB 3.27Å; L163-D167 HydrophobicContact CD2-CB 4.4Å; L163-D167 HydrophobicContact CG-CB 4.07Å; L163-L168 HydrophobicContact CB-CB 4.47Å; L163-L168 HydrophobicContact CD1-CB 3.51Å; L163-L168 HydrophobicContact CG-CB 4.36Å
164	L	50.3	Low	78.3	Confident	108 Å²	108	40.2 Å²	40.2	57%	0.565	24%	0.238	S	C	*	.			trans	-55.1	144.2	152.8	-68.4	165.6	0	0	0	107.8	D166 D167	L164-D166 PolarHBondContact O-N 2.74Å; L164-D167 PolarHBondContact O-N 2.88Å
165	P	50	Low	78.6	Confident	100 Å²	100	41.1 Å²	41.1	65%	0.649	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-22.4	-173.5	-30.3	34.8	0	0	0	116.2
166	D	54.3	Low	78.8	Confident	148 Å²	148	41.2 Å²	41.2	79%	0.791	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.7	-173.1	-56.6	-33.8	0	0	0	114.8	L164	L164-D166 PolarHBondContact O-N 2.74Å
167	D	61.1	Low	78.9	Confident	119 Å²	119	41.5 Å²	41.5	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-37	-171.4	-70.9	-34	0	0	0	114.8	L163 L164	L163-D167 HydrophobicContact CB-CB 4.01Å; L163-D167 HydrophobicContact CD1-CB 3.27Å; L163-D167 HydrophobicContact CD2-CB 4.4Å; L163-D167 HydrophobicContact CG-CB 4.07Å; L164-D167 PolarHBondContact O-N 2.88Å
168	L	74.7	Confident	79.1	Confident	32 Å²	32	45.1 Å²	45.1	17%	0.168	26%	0.257	C	S	.	.			trans	-156.5	72.8	-178.9	-162.9	67.4	0	0	0	111.3	L134 L163 D170 G171	L134-L168 HydrophobicContact CD2-CD1 4.48Å; L163-L168 HydrophobicContact CB-CB 4.47Å; L163-L168 HydrophobicContact CD1-CB 3.51Å; L163-L168 HydrophobicContact CG-CB 4.36Å; L168-D170 PolarHBondContact O-N 2.64Å; L168-D170 VanDerWaalsContact O-N 3.13Å; L168-G171 PolarHBondContact O-N 3.13Å
169	P	76.1	Confident	79.4	Confident	107 Å²	107	44.4 Å²	44.4	70%	0.695	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.5	-171.2	24.9	-34.8	0	0	0	114
170	D	88.4	Confident	79.9	Confident	28 Å²	28	44.1 Å²	44.1	15%	0.15	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	10.9	-177.5	77.4	-19.3	0	0	0	113.8	L168 G172 S173 A174 C205 R208	L168-D170 PolarHBondContact O-N 2.64Å; L168-D170 VanDerWaalsContact O-N 3.13Å; D170-G172 PolarHBondContact O-N 2.83Å; D170-G172 VanDerWaalsContact O-N 3.09Å; D170-G172 WeakPolarHBondContact OD1-CA 3.5Å; D170-G172 PolarHBondContact OD1-N 3.15Å; D170-S173 WeakPolarHBondContact CB-OG 2.98Å; D170-S173 WeakPolarHBondContact O-CB 3.24Å; D170-S173 PolarHBondContact O-N 2.98Å; D170-S173 VanDerWaalsContact O-N 3.08Å; D170-S173 PolarHBondContact O-OG 3.17Å; D170-S173 PolarHBondContact OD2-OG 3.01Å; D170-A174 WeakPolarHBondContact OD2-CB 3.43Å; D170-A174 PolarHBondContact OD2-N 3.16Å; D170-C205 PolarHBondContact O-SG 2.84Å; D170-R208 IonicContact OD2-NH1 2.92Å; D170-R208 PolarHBondContact OD2-NH1 3.45Å
171	G	87.2	Confident	80.6	Confident	10 Å²	10	46.3 Å²	46.3	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	18	-177.9	0	0	0	0	0	114.6	L168	L168-G171 PolarHBondContact O-N 3.13Å
172	G	91.3	Very high	81.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	6.9	-178.2	0	0	0	0	0	114.4	D170 A174 H175 I176	D170-G172 PolarHBondContact O-N 2.83Å; D170-G172 VanDerWaalsContact O-N 3.09Å; D170-G172 WeakPolarHBondContact OD1-CA 3.5Å; D170-G172 PolarHBondContact OD1-N 3.15Å; G172-A174 VanDerWaalsContact C-N 3.31Å; G172-A174 PolarHBondContact O-N 3.41Å; G172-H175 WeakPolarHBondContact O-CB 3.41Å; G172-H175 PolarHBondContact O-N 2.55Å; G172-I176 WeakPolarHBondContact O-CG1 3.19Å; G172-I176 PolarHBondContact O-N 2.92Å
173	S	94.7	Very high	83.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-37.5	-179.4	58.1	0	0	0	0	113.2	D170 H175 I176 A177 C205 R208 I209	D170-S173 WeakPolarHBondContact CB-OG 2.98Å; D170-S173 WeakPolarHBondContact O-CB 3.24Å; D170-S173 PolarHBondContact O-N 2.98Å; D170-S173 VanDerWaalsContact O-N 3.08Å; D170-S173 PolarHBondContact O-OG 3.17Å; D170-S173 PolarHBondContact OD2-OG 3.01Å; S173-H175 VanDerWaalsContact C-N 3.32Å; S173-H175 PolarHBondContact O-N 3.11Å; S173-I176 PolarHBondContact O-N 2.79Å; S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.36Å; S173-A177 PolarHBondContact O-N 2.96Å; S173-C205 WeakPolarHBondContact OG-CB 3.35Å; S173-C205 PolarHBondContact OG-SG 3.48Å; S173-R208 PolarHBondContact OG-NH1 2.73Å; S173-I209 VanDerWaalsContact O-CD1 3.3Å; S173-I209 WeakPolarHBondContact O-CD1 3.29Å
174	A	94.8	Very high	85.6	Confident	45 Å²	45	44.7 Å²	44.7	37%	0.372	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-35.8	174.2	0	0	0	0	0	112.7	D170 G172 R178 R208	D170-A174 WeakPolarHBondContact OD2-CB 3.43Å; D170-A174 PolarHBondContact OD2-N 3.16Å; G172-A174 VanDerWaalsContact C-N 3.31Å; G172-A174 PolarHBondContact O-N 3.41Å; A174-R178 VanDerWaalsContact O-CB 3.31Å; A174-R178 WeakPolarHBondContact O-CB 3.18Å; A174-R178 PolarHBondContact O-N 3.32Å; A174-R208 VanDerWaalsContact CA-CD 3.45Å
175	H	95.2	Very high	87.8	Confident	20 Å²	20	45.8 Å²	45.8	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-44	178	-163.1	92	0	0	0	111.9	L112 L134 D135 E138 P139 G172 S173 R178 T179	L112-H175 HydrophobicContact CD2-CB 3.84Å; L134-H175 HydrophobicContact CD2-CB 4.1Å; L134-H175 VanDerWaalsContact CD2-ND1 3.28Å; L134-H175 WeakPolarHBondContact CD2-ND1 3.46Å; D135-H175 PolarHBondContact O-CE1 2.88Å; D135-H175 VanDerWaalsContact O-CE1 3.3Å; E138-H175 IonicContact OE2-CD2 2.75Å; E138-H175 PolarHBondContact OE2-CD2 2.65Å; E138-H175 IonicContact OE2-NE2 3.52Å; E138-H175 PolarHBondContact OE2-NE2 2.79Å; E138-H175 VanDerWaalsContact OE2-NE2 3.08Å; P139-H175 WeakPolarHBondContact CD-CE1 3.45Å; P139-H175 VanDerWaalsContact CD-NE2 3.35Å; P139-H175 WeakPolarHBondContact CD-NE2 3.3Å; P139-H175 VanDerWaalsContact CG-CE1 3.43Å; P139-H175 WeakPolarHBondContact CG-CE1 3.39Å; P139-H175 WeakPolarHBondContact CG-NE2 3.26Å; G172-H175 WeakPolarHBondContact O-CB 3.41Å; G172-H175 PolarHBondContact O-N 2.55Å; S173-H175 VanDerWaalsContact C-N 3.32Å; S173-H175 PolarHBondContact O-N 3.11Å; H175-R178 PolarHBondContact O-N 3.35Å; H175-T179 PolarHBondContact O-N 2.77Å; H175-T179 PolarHBondContact O-OG1 3.07Å
176	I	97.1	Very high	90	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-47.9	175.1	-60.8	165.1	0	0	0	109.9	L111 L112 S158 G172 S173 R178 T179 I180 V196 F199 I209	L111-I176 HydrophobicContact CD1-CB 4.38Å; L111-I176 HydrophobicContact CD1-CG1 4.13Å; L111-I176 HydrophobicContact CD1-CG2 4.24Å; L112-I176 HydrophobicContact CD1-CD1 4.4Å; S158-I176 WeakPolarHBondContact OG-CD1 3.35Å; G172-I176 WeakPolarHBondContact O-CG1 3.19Å; G172-I176 PolarHBondContact O-N 2.92Å; S173-I176 PolarHBondContact O-N 2.79Å; I176-R178 PolarHBondContact O-N 2.83Å; I176-T179 WeakPolarHBondContact O-CB 3.06Å; I176-T179 PolarHBondContact O-N 2.89Å; I176-T179 VanDerWaalsContact O-N 3.12Å; I176-I180 HydrophobicContact CG2-CD1 3.93Å; I176-I180 WeakPolarHBondContact O-CG1 3.08Å; I176-I180 PolarHBondContact O-N 3.32Å; I176-V196 HydrophobicContact CD1-CG1 4.35Å; I176-V196 HydrophobicContact CG2-CG1 4.21Å; I176-F199 HydrophobicContact CD1-CE1 4.35Å; I176-F199 HydrophobicContact CD1-CZ 4.3Å; I176-I209 HydrophobicContact CB-CD1 3.72Å; I176-I209 HydrophobicContact CG2-CD1 3.66Å
177	A	98.1	Very high	91.9	Very high	9 Å²	9	41 Å²	41	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-43.5	177.6	0	0	0	0	0	112.3	S173 T179 I180 T181 R208 I209	S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.36Å; S173-A177 PolarHBondContact O-N 2.96Å; A177-T179 VanDerWaalsContact C-N 3.3Å; A177-T179 PolarHBondContact O-N 2.58Å; A177-I180 PolarHBondContact O-N 2.81Å; A177-T181 PolarHBondContact O-N 2.78Å; A177-T181 PolarHBondContact O-OG1 3.17Å; A177-T181 VanDerWaalsContact O-OG1 3.09Å; A177-R208 HydrophobicContact CB-CG 3.8Å; A177-I209 HydrophobicContact CB-CD1 4.2Å
178	R	98	Very high	93.4	Very high	94 Å²	94	39.6 Å²	39.6	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-43.6	174.2	-176.4	177.1	173.3	-141.2	0.9	110.9	P136 P139 A174 H175 I176 I180 T181 E182	P136-R178 PolarHBondContact O-NH1 2.74Å; P139-R178 HydrophobicContact CB-CB 4.31Å; P139-R178 HydrophobicContact CB-CG 3.9Å; P139-R178 HydrophobicContact CG-CB 4.44Å; P139-R178 HydrophobicContact CG-CG 4.29Å; A174-R178 VanDerWaalsContact O-CB 3.31Å; A174-R178 WeakPolarHBondContact O-CB 3.18Å; A174-R178 PolarHBondContact O-N 3.32Å; H175-R178 PolarHBondContact O-N 3.35Å; I176-R178 PolarHBondContact O-N 2.83Å; R178-I180 VanDerWaalsContact C-N 3.33Å; R178-I180 PolarHBondContact O-N 3.14Å; R178-T181 PolarHBondContact O-N 2.74Å; R178-E182 HydrophobicContact CG-CG 4.15Å; R178-E182 IonicContact NE-OE1 2.73Å; R178-E182 WeakPolarHBondContact O-CB 3.26Å; R178-E182 WeakPolarHBondContact O-CG 3.36Å; R178-E182 PolarHBondContact O-N 2.94Å
179	T	98.2	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-44.7	178.1	-54.7	0	0	0	0	111.5	L111 P139 T142 L156 H175 I176 A177 E182 I183	L111-T179 HydrophobicContact CD1-CG2 3.99Å; L111-T179 HydrophobicContact CD2-CG2 4.02Å; P139-T179 WeakPolarHBondContact CA-OG1 3.33Å; P139-T179 WeakPolarHBondContact CB-OG1 3.39Å; T142-T179 HydrophobicContact CG2-CG2 3.64Å; L156-T179 HydrophobicContact CD1-CG2 4.13Å; H175-T179 PolarHBondContact O-N 2.77Å; H175-T179 PolarHBondContact O-OG1 3.07Å; I176-T179 WeakPolarHBondContact O-CB 3.06Å; I176-T179 PolarHBondContact O-N 2.89Å; I176-T179 VanDerWaalsContact O-N 3.12Å; A177-T179 VanDerWaalsContact C-N 3.3Å; A177-T179 PolarHBondContact O-N 2.58Å; T179-E182 PolarHBondContact O-N 2.9Å; T179-I183 HydrophobicContact CG2-CD1 3.96Å; T179-I183 WeakPolarHBondContact O-CD1 3.24Å; T179-I183 VanDerWaalsContact O-CG1 3.25Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 3.47Å
180	I	98.3	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-47	177.4	-62.2	159.9	0	0	0	110.5	L156 I176 A177 R178 E182 I183 K184 V192 A194 I209 S212 V214	L156-I180 HydrophobicContact CD1-CG1 3.57Å; I176-I180 HydrophobicContact CG2-CD1 3.93Å; I176-I180 WeakPolarHBondContact O-CG1 3.08Å; I176-I180 PolarHBondContact O-N 3.32Å; A177-I180 PolarHBondContact O-N 2.81Å; R178-I180 VanDerWaalsContact C-N 3.33Å; R178-I180 PolarHBondContact O-N 3.14Å; I180-E182 PolarHBondContact O-N 3.12Å; I180-I183 WeakPolarHBondContact O-CB 3.36Å; I180-I183 PolarHBondContact O-N 3.4Å; I180-K184 HydrophobicContact CG2-CG 4.32Å; I180-K184 WeakPolarHBondContact O-CB 3.26Å; I180-K184 VanDerWaalsContact O-CG 3.31Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.41Å; I180-V192 HydrophobicContact CG1-CG1 4.05Å; I180-V192 HydrophobicContact CG2-CB 4.5Å; I180-V192 HydrophobicContact CG2-CG1 4.14Å; I180-A194 HydrophobicContact CD1-CB 3.95Å; I180-I209 HydrophobicContact CD1-CG2 4.27Å; I180-S212 WeakPolarHBondContact CB-OG 3.38Å; I180-S212 VanDerWaalsContact CD1-OG 3.26Å; I180-S212 WeakPolarHBondContact CD1-OG 3.46Å; I180-S212 WeakPolarHBondContact CG2-O 3.2Å; I180-S212 VanDerWaalsContact CG2-OG 3.3Å; I180-S212 WeakPolarHBondContact CG2-OG 3.35Å; I180-V214 HydrophobicContact CD1-CB 4.2Å; I180-V214 HydrophobicContact CD1-CG2 4.28Å; I180-V214 HydrophobicContact CG2-CB 4.23Å
181	T	98.3	Very high	94.9	Very high	55 Å²	55	35.6 Å²	35.6	34%	0.337	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-45.7	177.6	-61	0	0	0	0	111.9	A177 R178 I183 K184 Q185	A177-T181 PolarHBondContact O-N 2.78Å; A177-T181 PolarHBondContact O-OG1 3.17Å; A177-T181 VanDerWaalsContact O-OG1 3.09Å; R178-T181 PolarHBondContact O-N 2.74Å; T181-I183 VanDerWaalsContact C-N 3.33Å; T181-I183 PolarHBondContact O-N 3.24Å; T181-K184 PolarHBondContact O-N 2.79Å; T181-Q185 HydrophobicContact CG2-CG 4.42Å; T181-Q185 VanDerWaalsContact O-CG 3.29Å; T181-Q185 WeakPolarHBondContact O-CG 3.4Å; T181-Q185 PolarHBondContact O-N 2.84Å
182	E	98.2	Very high	95.3	Very high	30 Å²	30	35.1 Å²	35.1	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-38.1	179	-68.9	-76.3	173.6	0	0	112.1	P139 A143 R178 T179 I180 R186	P139-E182 HydrophobicContact CB-CG 4.47Å; A143-E182 HydrophobicContact CB-CB 3.58Å; R178-E182 HydrophobicContact CG-CG 4.15Å; R178-E182 IonicContact NE-OE1 2.73Å; R178-E182 WeakPolarHBondContact O-CB 3.26Å; R178-E182 WeakPolarHBondContact O-CG 3.36Å; R178-E182 PolarHBondContact O-N 2.94Å; T179-E182 PolarHBondContact O-N 2.9Å; I180-E182 PolarHBondContact O-N 3.12Å; E182-R186 PolarHBondContact O-N 2.98Å; E182-R186 PolarHBondContact O-NH1 3.49Å; E182-R186 IonicContact OE2-CZ 3.51Å; E182-R186 IonicContact OE2-NH1 2.68Å; E182-R186 PolarHBondContact OE2-NH1 3.19Å; E182-R186 IonicContact OE2-NH2 3.47Å; E182-R186 PolarHBondContact OE2-NH2 3.22Å
183	I	97.3	Very high	95.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-49.1	173.3	-70.4	159.8	0	0	0	110	A143 I146 L156 T179 I180 T181 Q185 R186 N187 I190 V192	A143-I183 HydrophobicContact CB-CG1 3.83Å; I146-I183 HydrophobicContact CD1-CD1 3.4Å; I146-I183 HydrophobicContact CD1-CG1 3.82Å; I146-I183 HydrophobicContact CG2-CG2 4.35Å; L156-I183 HydrophobicContact CD1-CD1 3.72Å; L156-I183 HydrophobicContact CD2-CD1 4.02Å; L156-I183 HydrophobicContact CG-CD1 4.35Å; T179-I183 HydrophobicContact CG2-CD1 3.96Å; T179-I183 WeakPolarHBondContact O-CD1 3.24Å; T179-I183 VanDerWaalsContact O-CG1 3.25Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 3.47Å; I180-I183 WeakPolarHBondContact O-CB 3.36Å; I180-I183 PolarHBondContact O-N 3.4Å; T181-I183 VanDerWaalsContact C-N 3.33Å; T181-I183 PolarHBondContact O-N 3.24Å; I183-Q185 VanDerWaalsContact C-N 3.32Å; I183-Q185 PolarHBondContact O-N 2.83Å; I183-R186 PolarHBondContact O-N 3.03Å; I183-N187 PolarHBondContact O-N 2.93Å; I183-I190 HydrophobicContact CG2-CD1 4.37Å; I183-I190 HydrophobicContact CG2-CG2 3.53Å; I183-V192 HydrophobicContact CG2-CG2 3.85Å
184	K	96.7	Very high	95.5	Very high	29 Å²	29	35.3 Å²	35.3	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-33.5	-178.1	-72	-64.2	-170.7	168.9	0	113.1	I180 T181 N187 P188 I190 V192 G213 D215	I180-K184 HydrophobicContact CG2-CG 4.32Å; I180-K184 WeakPolarHBondContact O-CB 3.26Å; I180-K184 VanDerWaalsContact O-CG 3.31Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.41Å; T181-K184 PolarHBondContact O-N 2.79Å; K184-N187 CarbonylContact O-C 3.58Å; K184-P188 VanDerWaalsContact O-CA 3.3Å; K184-P188 WeakPolarHBondContact O-CA 3.46Å; K184-P188 WeakPolarHBondContact O-CD 3.4Å; K184-P188 WeakPolarHBondContact O-CG 3.21Å; K184-P188 VanDerWaalsContact O-N 3.11Å; K184-I190 PolarHBondContact NZ-O 3.08Å; K184-V192 HydrophobicContact CD-CG2 4.35Å; K184-G213 WeakPolarHBondContact CE-O 3.36Å; K184-D215 WeakPolarHBondContact CE-OD2 3.39Å; K184-D215 IonicContact NZ-OD1 2.72Å; K184-D215 PolarHBondContact NZ-OD1 3.11Å; K184-D215 IonicContact NZ-OD2 2.9Å; K184-D215 PolarHBondContact NZ-OD2 3.13Å
185	Q	96.8	Very high	95.6	Very high	130 Å²	130	34 Å²	34	61%	0.607	18%	0.178	S	C	*	.	H	α-helix	trans	-64.8	-38.9	174.1	-75.9	173.3	-5.3	0	0	112.4	T181 I183	T181-Q185 HydrophobicContact CG2-CG 4.42Å; T181-Q185 VanDerWaalsContact O-CG 3.29Å; T181-Q185 WeakPolarHBondContact O-CG 3.4Å; T181-Q185 PolarHBondContact O-N 2.84Å; I183-Q185 VanDerWaalsContact C-N 3.32Å; I183-Q185 PolarHBondContact O-N 2.83Å
186	R	95.5	Very high	95.6	Very high	101 Å²	101	33.4 Å²	33.4	38%	0.381	18%	0.176	S	C	.	.	H	α-helix	trans	-80.6	-35	-179.8	-72.6	167.9	179.6	67.3	-1.2	112.7	A147 E182 I183	A147-R186 HydrophobicContact CB-CB 4.42Å; E182-R186 PolarHBondContact O-N 2.98Å; E182-R186 PolarHBondContact O-NH1 3.49Å; E182-R186 IonicContact OE2-CZ 3.51Å; E182-R186 IonicContact OE2-NH1 2.68Å; E182-R186 PolarHBondContact OE2-NH1 3.19Å; E182-R186 IonicContact OE2-NH2 3.47Å; E182-R186 PolarHBondContact OE2-NH2 3.22Å; I183-R186 PolarHBondContact O-N 3.03Å
187	N	93.2	Very high	95.5	Very high	46 Å²	46	33.9 Å²	33.9	25%	0.246	18%	0.179	C	C	.	.			trans	-142.9	89.6	178.1	-174.3	-7.7	0	0	0	110.5	I183 K184 A189 I190	I183-N187 PolarHBondContact O-N 2.93Å; K184-N187 CarbonylContact O-C 3.58Å; N187-A189 PolarHBondContact O-N 3.05Å; N187-A189 PolarHBondContact OD1-N 3.16Å; N187-I190 HydrophobicContact CB-CB 4.27Å; N187-I190 HydrophobicContact CB-CG2 4.19Å; N187-I190 WeakPolarHBondContact O-CG2 3.24Å; N187-I190 PolarHBondContact O-N 2.8Å; N187-I190 PolarHBondContact OD1-N 3.46Å
188	P	93	Very high	95.3	Very high	91 Å²	91	33.5 Å²	33.5	59%	0.591	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.8	178.9	-24.4	33.4	0	0	0	114.1	K184	K184-P188 VanDerWaalsContact O-CA 3.3Å; K184-P188 WeakPolarHBondContact O-CA 3.46Å; K184-P188 WeakPolarHBondContact O-CD 3.4Å; K184-P188 WeakPolarHBondContact O-CG 3.21Å; K184-P188 VanDerWaalsContact O-N 3.11Å
189	A	90.5	Very high	95.1	Very high	72 Å²	72	29.6 Å²	29.6	60%	0.595	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-23.3	-177	0	0	0	0	0	113.2	N187	N187-A189 PolarHBondContact O-N 3.05Å; N187-A189 PolarHBondContact OD1-N 3.16Å
190	I	90.1	Very high	94.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-60.7	142.1	178.9	-161.9	173.9	0	0	0	110.7	I146 L151 V154 I183 K184 N187 V192	I146-I190 HydrophobicContact CG2-CD1 3.35Å; L151-I190 HydrophobicContact CB-CD1 4.38Å; L151-I190 WeakPolarHBondContact O-CD1 3.38Å; L151-I190 WeakPolarHBondContact O-CG1 3.41Å; V154-I190 HydrophobicContact CB-CD1 4.22Å; V154-I190 HydrophobicContact CG1-CD1 3.87Å; V154-I190 HydrophobicContact CG1-CG1 4.47Å; I183-I190 HydrophobicContact CG2-CD1 4.37Å; I183-I190 HydrophobicContact CG2-CG2 3.53Å; K184-I190 PolarHBondContact NZ-O 3.08Å; N187-I190 HydrophobicContact CB-CB 4.27Å; N187-I190 HydrophobicContact CB-CG2 4.19Å; N187-I190 WeakPolarHBondContact O-CG2 3.24Å; N187-I190 PolarHBondContact O-N 2.8Å; N187-I190 PolarHBondContact OD1-N 3.46Å; I190-V192 HydrophobicContact CG2-CG2 3.96Å
191	L	91.4	Very high	94.5	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.4	170.2	-65.5	176.6	0	0	0	110.2	N152 Y153 V154 D215 K344 V347	N152-L191 PolarHBondContact O-N 3.45Å; Y153-L191 WeakPolarHBondContact CA-O 3.43Å; Y153-L191 HydrophobicContact CD2-CB 3.45Å; Y153-L191 VanDerWaalsContact CD2-CB 3.45Å; Y153-L191 HydrophobicContact CD2-CD1 3.98Å; Y153-L191 HydrophobicContact CD2-CG 4.37Å; Y153-L191 HydrophobicContact CE2-CB 3.93Å; Y153-L191 HydrophobicContact CE2-CD1 4.39Å; Y153-L191 HydrophobicContact CG-CB 4.3Å; V154-L191 PolarHBondContact N-O 3.23Å; L191-D215 VanDerWaalsContact CA-OD2 3.3Å; L191-D215 WeakPolarHBondContact CA-OD2 3.32Å; L191-D215 HydrophobicContact CD2-CB 4.13Å; L191-K344 VanDerWaalsContact CD1-CA 3.49Å; L191-K344 HydrophobicContact CD1-CB 3.62Å; L191-K344 HydrophobicContact CD1-CG 3.77Å; L191-V347 HydrophobicContact CD2-CB 4.07Å; L191-V347 HydrophobicContact CD2-CG1 3.59Å
192	V	94.6	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116	-178.5	-174.7	0	0	0	0	109.2	V154 L156 I180 I183 K184 I190 V214 D215 V216	V154-V192 HydrophobicContact CG1-CB 4.41Å; V154-V192 HydrophobicContact CG1-CG1 4.29Å; V154-V192 HydrophobicContact CG1-CG2 3.98Å; L156-V192 HydrophobicContact CD1-CG1 3.78Å; L156-V192 HydrophobicContact CG-CG1 4.13Å; I180-V192 HydrophobicContact CG1-CG1 4.05Å; I180-V192 HydrophobicContact CG2-CB 4.5Å; I180-V192 HydrophobicContact CG2-CG1 4.14Å; I183-V192 HydrophobicContact CG2-CG2 3.85Å; K184-V192 HydrophobicContact CD-CG2 4.35Å; I190-V192 HydrophobicContact CG2-CG2 3.96Å; V192-V214 WeakPolarHBondContact O-CG2 3.31Å; V192-D215 PolarHBondContact N-OD2 3.27Å; V192-D215 PolarHBondContact O-N 2.91Å; V192-V216 PolarHBondContact O-N 3.06Å
193	E	95.1	Very high	94.2	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.8	166.9	175.3	179.8	159.8	0	0	109.3	Y153 V154 V155 L156 V216 A218 K258	Y153-E193 HydrophobicContact CE1-CB 4.03Å; Y153-E193 WeakPolarHBondContact OH-CB 3.31Å; Y153-E193 PolarHBondContact OH-OE2 2.74Å; V154-E193 PolarHBondContact O-N 3.46Å; V155-E193 CarbonylContact C-O 3.38Å; V155-E193 WeakPolarHBondContact CA-O 3.36Å; V155-E193 HydrophobicContact CG1-CG 4.31Å; V155-E193 HydrophobicContact CG2-CB 4.26Å; L156-E193 PolarHBondContact N-O 3.28Å; E193-V216 WeakPolarHBondContact CA-O 3.37Å; E193-V216 HydrophobicContact CB-CB 3.92Å; E193-V216 HydrophobicContact CB-CG1 4.44Å; E193-V216 HydrophobicContact CG-CB 3.96Å; E193-V216 HydrophobicContact CG-CG1 3.94Å; E193-A218 HydrophobicContact CG-CB 4.14Å; E193-K258 WeakPolarHBondContact OE1-CD 3.46Å; E193-K258 IonicContact OE1-NZ 3.94Å; E193-K258 PolarHBondContact OE1-NZ 3.47Å; E193-K258 IonicContact OE2-NZ 3.94Å; E193-K258 PolarHBondContact OE2-NZ 2.95Å
194	A	96.3	Very high	94.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	104.6	174.5	0	0	0	0	0	109.9	L156 I180 V196 I209 V214 V216 A218	L156-A194 CarbonylContact O-C 3.55Å; L156-A194 WeakPolarHBondContact O-CA 3.35Å; I180-A194 HydrophobicContact CD1-CB 3.95Å; A194-V196 HydrophobicContact CB-CG1 3.87Å; A194-V196 PolarHBondContact O-N 2.95Å; A194-I209 HydrophobicContact CB-CG2 4.21Å; A194-V214 HydrophobicContact CB-CG2 3.68Å; A194-V216 PolarHBondContact N-O 3.17Å; A194-A218 WeakPolarHBondContact O-CA 3.48Å; A194-A218 PolarHBondContact O-N 2.96Å; A194-A218 VanDerWaalsContact O-O 3.1Å
195	L	95.9	Very high	94.2	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	93.7	167.8	177.7	57.7	0	0	0	109.5	V155 L156 T157 S158 A218	V155-L195 HydrophobicContact CG1-CB 4.46Å; L156-L195 PolarHBondContact O-N 3.17Å; T157-L195 VanDerWaalsContact CA-O 3.3Å; T157-L195 WeakPolarHBondContact CA-O 3.3Å; T157-L195 PolarHBondContact OG1-O 2.94Å; S158-L195 PolarHBondContact N-O 2.76Å; L195-A218 CarbonylContact C-O 3.51Å; L195-A218 WeakPolarHBondContact CA-O 3.32Å; L195-A218 HydrophobicContact CB-CB 4.3Å; L195-A218 HydrophobicContact CD1-CB 4.07Å
196	V	95.4	Very high	94.2	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.042	21%	0.209	C	C	.	.			trans	-104.1	160.3	-170.1	-64.2	0	0	0	0	112.9	I176 A194 F199 I209 Y217 A218 H219	I176-V196 HydrophobicContact CD1-CG1 4.35Å; I176-V196 HydrophobicContact CG2-CG1 4.21Å; A194-V196 HydrophobicContact CB-CG1 3.87Å; A194-V196 PolarHBondContact O-N 2.95Å; V196-F199 HydrophobicContact CB-CE2 3.83Å; V196-F199 HydrophobicContact CB-CZ 3.72Å; V196-F199 HydrophobicContact CG1-CE2 4.49Å; V196-F199 HydrophobicContact CG1-CZ 4.15Å; V196-F199 HydrophobicContact CG2-CE2 3.79Å; V196-F199 HydrophobicContact CG2-CZ 4.21Å; V196-I209 HydrophobicContact CG1-CG1 4.41Å; V196-I209 HydrophobicContact CG1-CG2 4.24Å; V196-Y217 HydrophobicContact CG2-CD2 4.48Å; V196-Y217 HydrophobicContact CG2-CE1 4.01Å; V196-Y217 HydrophobicContact CG2-CE2 3.73Å; V196-Y217 VanDerWaalsContact CG2-CZ 3.44Å; V196-Y217 WeakPolarHBondContact CG2-OH 3.39Å; V196-A218 PolarHBondContact N-O 3.41Å; V196-H219 PolarHBondContact O-ND1 3.46Å
197	P	94.4	Very high	94.3	Very high	12 Å²	12	34.8 Å²	34.8	8%	0.078	20%	0.203	C	C	.	.			trans	-61.4	173	166.2	-20	33.7	0	0	0	111.5	S158 D160 F199	S158-P197 WeakPolarHBondContact OG-CD 3.26Å; S158-P197 WeakPolarHBondContact OG-CG 3.31Å; D160-P197 HydrophobicContact CB-CB 4.27Å; D160-P197 HydrophobicContact CB-CG 4.26Å; P197-F199 HydrophobicContact CG-CE1 4.44Å; P197-F199 PolarHBondContact O-N 3.22Å
198	D	94.7	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.			trans	-82	0	174.9	62.1	24.3	0	0	0	113.3	R118 C200 G201 H219 Q240	R118-D198 IonicContact CZ-OD1 2.97Å; R118-D198 IonicContact CZ-OD2 2.62Å; R118-D198 VanDerWaalsContact NH1-CG 3.29Å; R118-D198 IonicContact NH1-OD1 3.82Å; R118-D198 PolarHBondContact NH1-OD1 3.23Å; R118-D198 IonicContact NH1-OD2 3.38Å; R118-D198 PolarHBondContact NH1-OD2 2.99Å; R118-D198 IonicContact NH2-OD1 2.6Å; R118-D198 PolarHBondContact NH2-OD1 2.9Å; R118-D198 IonicContact NH2-OD2 3.04Å; D198-C200 PolarHBondContact O-N 3.11Å; D198-C200 PolarHBondContact OD1-N 2.73Å; D198-G201 PolarHBondContact O-N 3.15Å; D198-H219 PolarHBondContact N-CE1 2.75Å; D198-Q240 HydrophobicContact CB-CG 4.13Å; D198-Q240 PolarHBondContact OD1-NE2 3.4Å; D198-Q240 VanDerWaalsContact OD1-NE2 3.17Å; D198-Q240 PolarHBondContact OD2-NE2 3.17Å
199	F	93.1	Very high	94.8	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.053	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	48.7	29.8	-177.2	-54.4	-66.3	0	0	0	114.4	I176 V196 P197 G201 D202 C205 I206 I209	I176-F199 HydrophobicContact CD1-CE1 4.35Å; I176-F199 HydrophobicContact CD1-CZ 4.3Å; V196-F199 HydrophobicContact CB-CE2 3.83Å; V196-F199 HydrophobicContact CB-CZ 3.72Å; V196-F199 HydrophobicContact CG1-CE2 4.49Å; V196-F199 HydrophobicContact CG1-CZ 4.15Å; V196-F199 HydrophobicContact CG2-CE2 3.79Å; V196-F199 HydrophobicContact CG2-CZ 4.21Å; P197-F199 HydrophobicContact CG-CE1 4.44Å; P197-F199 PolarHBondContact O-N 3.22Å; F199-G201 PolarHBondContact O-N 3.24Å; F199-D202 WeakPolarHBondContact O-CB 3.26Å; F199-D202 PolarHBondContact O-N 2.94Å; F199-C205 HydrophobicContact CB-CB 3.63Å; F199-C205 HydrophobicContact CD1-CB 3.96Å; F199-C205 HydrophobicContact CD2-CB 3.92Å; F199-C205 HydrophobicContact CG-CB 3.56Å; F199-I206 HydrophobicContact CD2-CG1 4.16Å; F199-I209 HydrophobicContact CE2-CG1 3.95Å; F199-I209 HydrophobicContact CZ-CD1 4.29Å; F199-I209 HydrophobicContact CZ-CG1 3.89Å
200	C	91.5	Very high	95.2	Very high	64 Å²	64	28.8 Å²	28.8	43%	0.432	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	53.9	25.5	-173.2	-62.1	0	0	0	0	113.4	D198	D198-C200 PolarHBondContact O-N 3.11Å; D198-C200 PolarHBondContact OD1-N 2.73Å
201	G	92	Very high	95.5	Very high	36 Å²	36	33.6 Å²	33.6	37%	0.371	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	78.9	11.1	-177.1	0	0	0	0	0	115.3	D198 F199 K203	D198-G201 PolarHBondContact O-N 3.15Å; F199-G201 PolarHBondContact O-N 3.24Å; G201-K203 PolarHBondContact O-N 3.02Å; G201-K203 VanDerWaalsContact O-N 3.14Å
202	D	94.4	Very high	95.8	Very high	59 Å²	59	33.6 Å²	33.6	32%	0.316	18%	0.176	S	C	.	.			trans	-69.5	110.3	177.2	-175.7	-1.9	0	0	0	111.7	F199 Q204 C205 I206	F199-D202 WeakPolarHBondContact O-CB 3.26Å; F199-D202 PolarHBondContact O-N 2.94Å; D202-Q204 VanDerWaalsContact C-N 3.3Å; D202-Q204 PolarHBondContact O-N 2.89Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.32Å; D202-Q204 PolarHBondContact OD1-N 2.88Å; D202-C205 HydrophobicContact CB-CB 4.16Å; D202-C205 WeakPolarHBondContact O-CB 3.39Å; D202-C205 PolarHBondContact O-N 3Å; D202-C205 PolarHBondContact OD2-SG 3.12Å; D202-I206 WeakPolarHBondContact O-CG1 3.35Å; D202-I206 PolarHBondContact O-N 3.25Å
203	K	96.6	Very high	95.9	Very high	119 Å²	119	35.2 Å²	35.2	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-60.5	-35.3	178.7	-71.1	179.6	176.1	-179.8	0	113.1	G201 C205 I206 Q207 Y247	G201-K203 PolarHBondContact O-N 3.02Å; G201-K203 VanDerWaalsContact O-N 3.14Å; K203-C205 VanDerWaalsContact C-N 3.32Å; K203-C205 PolarHBondContact O-N 3.19Å; K203-I206 PolarHBondContact O-N 2.72Å; K203-Q207 VanDerWaalsContact O-CG 3.3Å; K203-Q207 WeakPolarHBondContact O-CG 3.04Å; K203-Q207 PolarHBondContact O-N 3.22Å; K203-Y247 HydrophobicContact CB-CD1 4.12Å; K203-Y247 HydrophobicContact CB-CE1 3.46Å; K203-Y247 VanDerWaalsContact CB-CE1 3.46Å; K203-Y247 HydrophobicContact CB-CE2 4.39Å; K203-Y247 HydrophobicContact CD-CD2 4.02Å; K203-Y247 HydrophobicContact CD-CE1 4.18Å; K203-Y247 HydrophobicContact CD-CE2 3.57Å; K203-Y247 HydrophobicContact CG-CD1 3.87Å; K203-Y247 HydrophobicContact CG-CD2 4.13Å; K203-Y247 HydrophobicContact CG-CE1 3.61Å; K203-Y247 HydrophobicContact CG-CE2 3.91Å; K203-Y247 HydrophobicContact CG-CG 4.11Å
204	Q	96.7	Very high	96	Very high	123 Å²	123	35.1 Å²	35.1	58%	0.575	19%	0.192	S	C	*	.	H	α-helix	trans	-67.2	-38	179.4	-64.5	-175.6	3	0	0	111.1	D202 Q207 R208	D202-Q204 VanDerWaalsContact C-N 3.3Å; D202-Q204 PolarHBondContact O-N 2.89Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.32Å; D202-Q204 PolarHBondContact OD1-N 2.88Å; Q204-Q207 PolarHBondContact O-N 3.12Å; Q204-R208 WeakPolarHBondContact O-CB 3.33Å; Q204-R208 PolarHBondContact O-N 3.22Å
205	C	96.4	Very high	95.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-44.3	173.7	-67.2	0	0	0	0	111	D170 S173 F199 D202 K203 R208 I209	D170-C205 PolarHBondContact O-SG 2.84Å; S173-C205 WeakPolarHBondContact OG-CB 3.35Å; S173-C205 PolarHBondContact OG-SG 3.48Å; F199-C205 HydrophobicContact CB-CB 3.63Å; F199-C205 HydrophobicContact CD1-CB 3.96Å; F199-C205 HydrophobicContact CD2-CB 3.92Å; F199-C205 HydrophobicContact CG-CB 3.56Å; D202-C205 HydrophobicContact CB-CB 4.16Å; D202-C205 WeakPolarHBondContact O-CB 3.39Å; D202-C205 PolarHBondContact O-N 3Å; D202-C205 PolarHBondContact OD2-SG 3.12Å; K203-C205 VanDerWaalsContact C-N 3.32Å; K203-C205 PolarHBondContact O-N 3.19Å; C205-R208 PolarHBondContact O-N 2.73Å; C205-I209 WeakPolarHBondContact O-CG1 3.37Å; C205-I209 PolarHBondContact O-N 2.89Å
206	I	97.3	Very high	95.9	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-49.7	177	-59.7	165.9	0	0	0	111.2	F199 D202 K203 R208 I209 V210 Y217 C244 Y247 A248	F199-I206 HydrophobicContact CD2-CG1 4.16Å; D202-I206 WeakPolarHBondContact O-CG1 3.35Å; D202-I206 PolarHBondContact O-N 3.25Å; K203-I206 PolarHBondContact O-N 2.72Å; I206-R208 VanDerWaalsContact C-N 3.3Å; I206-R208 PolarHBondContact O-N 2.94Å; I206-I209 PolarHBondContact O-N 2.82Å; I206-V210 HydrophobicContact CG2-CG2 4.38Å; I206-V210 WeakPolarHBondContact O-CG2 3.5Å; I206-V210 PolarHBondContact O-N 3.03Å; I206-Y217 HydrophobicContact CG2-CE2 4.12Å; I206-C244 HydrophobicContact CD1-CB 4.2Å; I206-Y247 HydrophobicContact CB-CD1 3.97Å; I206-Y247 HydrophobicContact CB-CE1 4.4Å; I206-Y247 HydrophobicContact CD1-CD1 3.89Å; I206-Y247 HydrophobicContact CG2-CD1 3.83Å; I206-Y247 HydrophobicContact CG2-CE1 4.49Å; I206-A248 HydrophobicContact CG2-CB 3.9Å
207	Q	98.2	Very high	96	Very high	53 Å²	53	34.7 Å²	34.7	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-46.7	178.1	-73.2	174.8	-33.4	0	0	111.4	K203 Q204 I209 V210 D211 Y247 Y251	K203-Q207 VanDerWaalsContact O-CG 3.3Å; K203-Q207 WeakPolarHBondContact O-CG 3.04Å; K203-Q207 PolarHBondContact O-N 3.22Å; Q204-Q207 PolarHBondContact O-N 3.12Å; Q207-I209 VanDerWaalsContact C-N 3.28Å; Q207-I209 PolarHBondContact O-N 3.36Å; Q207-V210 PolarHBondContact O-N 3.18Å; Q207-D211 WeakPolarHBondContact O-CB 3.28Å; Q207-D211 PolarHBondContact O-N 3.27Å; Q207-Y247 HydrophobicContact CG-CE1 3.95Å; Q207-Y247 PolarHBondContact NE2-OH 2.72Å; Q207-Y251 HydrophobicContact CB-CD1 4.33Å; Q207-Y251 HydrophobicContact CB-CE1 3.93Å; Q207-Y251 HydrophobicContact CG-CD1 3.91Å; Q207-Y251 HydrophobicContact CG-CD2 3.88Å; Q207-Y251 HydrophobicContact CG-CE1 3.81Å; Q207-Y251 HydrophobicContact CG-CE2 3.78Å; Q207-Y251 HydrophobicContact CG-CG 3.95Å
208	R	98	Very high	96.1	Very high	82 Å²	82	34.1 Å²	34.1	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-57.5	-40	179.9	-169.1	178.6	-61.5	121.1	3.6	112.8	D170 S173 A174 A177 Q204 C205 I206 S212	D170-R208 IonicContact OD2-NH1 2.92Å; D170-R208 PolarHBondContact OD2-NH1 3.45Å; S173-R208 PolarHBondContact OG-NH1 2.73Å; A174-R208 VanDerWaalsContact CA-CD 3.45Å; A177-R208 HydrophobicContact CB-CG 3.8Å; Q204-R208 WeakPolarHBondContact O-CB 3.33Å; Q204-R208 PolarHBondContact O-N 3.22Å; C205-R208 PolarHBondContact O-N 2.73Å; I206-R208 VanDerWaalsContact C-N 3.3Å; I206-R208 PolarHBondContact O-N 2.94Å; R208-S212 PolarHBondContact O-N 3.36Å
209	I	98.2	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-45.8	174.5	-58.7	-55.2	0	0	0	110.5	S173 I176 A177 I180 A194 V196 F199 C205 I206 Q207 D211 S212 V214 Y217	S173-I209 VanDerWaalsContact O-CD1 3.3Å; S173-I209 WeakPolarHBondContact O-CD1 3.29Å; I176-I209 HydrophobicContact CB-CD1 3.72Å; I176-I209 HydrophobicContact CG2-CD1 3.66Å; A177-I209 HydrophobicContact CB-CD1 4.2Å; I180-I209 HydrophobicContact CD1-CG2 4.27Å; A194-I209 HydrophobicContact CB-CG2 4.21Å; V196-I209 HydrophobicContact CG1-CG1 4.41Å; V196-I209 HydrophobicContact CG1-CG2 4.24Å; F199-I209 HydrophobicContact CE2-CG1 3.95Å; F199-I209 HydrophobicContact CZ-CD1 4.29Å; F199-I209 HydrophobicContact CZ-CG1 3.89Å; C205-I209 WeakPolarHBondContact O-CG1 3.37Å; C205-I209 PolarHBondContact O-N 2.89Å; I206-I209 PolarHBondContact O-N 2.82Å; Q207-I209 VanDerWaalsContact C-N 3.28Å; Q207-I209 PolarHBondContact O-N 3.36Å; I209-D211 VanDerWaalsContact C-N 3.28Å; I209-D211 PolarHBondContact O-N 3.04Å; I209-S212 WeakPolarHBondContact O-CB 3.48Å; I209-S212 PolarHBondContact O-N 3.02Å; I209-S212 VanDerWaalsContact O-N 3.17Å; I209-S212 PolarHBondContact O-OG 3.42Å; I209-V214 HydrophobicContact CG2-CG1 4.34Å; I209-V214 VanDerWaalsContact O-CG1 3.24Å; I209-V214 WeakPolarHBondContact O-CG1 3.4Å; I209-Y217 HydrophobicContact CB-CD2 4.29Å; I209-Y217 HydrophobicContact CB-CE2 3.9Å; I209-Y217 HydrophobicContact CG2-CD2 3.74Å; I209-Y217 HydrophobicContact CG2-CE2 3.74Å
210	V	98	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-36.9	-179.6	175.3	0	0	0	0	112	I206 Q207 S212 Y217 A248 Y251 K252	I206-V210 HydrophobicContact CG2-CG2 4.38Å; I206-V210 WeakPolarHBondContact O-CG2 3.5Å; I206-V210 PolarHBondContact O-N 3.03Å; Q207-V210 PolarHBondContact O-N 3.18Å; V210-S212 VanDerWaalsContact C-N 3.32Å; V210-S212 PolarHBondContact O-N 3.27Å; V210-Y217 HydrophobicContact CG2-CD2 3.99Å; V210-Y217 HydrophobicContact CG2-CE2 4.38Å; V210-A248 HydrophobicContact CG2-CB 4Å; V210-Y251 HydrophobicContact CB-CD1 4.06Å; V210-Y251 HydrophobicContact CB-CE1 4.44Å; V210-Y251 HydrophobicContact CG1-CD1 3.82Å; V210-Y251 HydrophobicContact CG1-CE1 4.28Å; V210-K252 HydrophobicContact CG1-CB 3.44Å; V210-K252 VanDerWaalsContact CG1-CB 3.44Å; V210-K252 HydrophobicContact CG1-CD 3.6Å; V210-K252 HydrophobicContact CG1-CG 4.13Å
211	D	98.2	Very high	96.7	Very high	102 Å²	102	31.3 Å²	31.3	55%	0.545	17%	0.167	S	C	.	.	H	α-helix	trans	-77.9	-12.5	179.1	-69.4	-27.8	0	0	0	114	Q207 I209 G213 Y251	Q207-D211 WeakPolarHBondContact O-CB 3.28Å; Q207-D211 PolarHBondContact O-N 3.27Å; I209-D211 VanDerWaalsContact C-N 3.28Å; I209-D211 PolarHBondContact O-N 3.04Å; D211-G213 PolarHBondContact O-N 3.49Å; D211-G213 VanDerWaalsContact O-N 3.08Å; D211-Y251 WeakPolarHBondContact OD1-CE1 3.41Å; D211-Y251 PolarHBondContact OD2-OH 3.35Å; D211-Y251 VanDerWaalsContact OD2-OH 3.12Å
212	S	97.9	Very high	96.9	Very high	10 Å²	10	31 Å²	31	7%	0.07	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-5	-179	70.8	0	0	0	0	114.6	I180 R208 I209 V210	I180-S212 WeakPolarHBondContact CB-OG 3.38Å; I180-S212 VanDerWaalsContact CD1-OG 3.26Å; I180-S212 WeakPolarHBondContact CD1-OG 3.46Å; I180-S212 WeakPolarHBondContact CG2-O 3.2Å; I180-S212 VanDerWaalsContact CG2-OG 3.3Å; I180-S212 WeakPolarHBondContact CG2-OG 3.35Å; R208-S212 PolarHBondContact O-N 3.36Å; I209-S212 WeakPolarHBondContact O-CB 3.48Å; I209-S212 PolarHBondContact O-N 3.02Å; I209-S212 VanDerWaalsContact O-N 3.17Å; I209-S212 PolarHBondContact O-OG 3.42Å; V210-S212 VanDerWaalsContact C-N 3.32Å; V210-S212 PolarHBondContact O-N 3.27Å
213	G	95.2	Very high	97.1	Very high	33 Å²	33	28.2 Å²	28.2	34%	0.34	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	11.6	-173.3	0	0	0	0	0	113.8	K184 D211	K184-G213 WeakPolarHBondContact CE-O 3.36Å; D211-G213 PolarHBondContact O-N 3.49Å; D211-G213 VanDerWaalsContact O-N 3.08Å
214	V	97	Very high	97.2	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	12%	0.117	C	C	.	.			trans	-54.7	142.2	173.4	72.1	0	0	0	0	111.6	I180 V192 A194 I209 V216 I255	I180-V214 HydrophobicContact CD1-CB 4.2Å; I180-V214 HydrophobicContact CD1-CG2 4.28Å; I180-V214 HydrophobicContact CG2-CB 4.23Å; V192-V214 WeakPolarHBondContact O-CG2 3.31Å; A194-V214 HydrophobicContact CB-CG2 3.68Å; I209-V214 HydrophobicContact CG2-CG1 4.34Å; I209-V214 VanDerWaalsContact O-CG1 3.24Å; I209-V214 WeakPolarHBondContact O-CG1 3.4Å; V214-V216 WeakPolarHBondContact CG2-O 3.04Å; V214-I255 HydrophobicContact CG1-CD1 3.95Å; V214-I255 WeakPolarHBondContact O-CD1 3.45Å
215	D	95.1	Very high	97.3	Very high	16 Å²	16	21.4 Å²	21.4	9%	0.086	11%	0.114	C	C	.	.	S	Bend	trans	-94	-36.3	179.2	-55.2	-81.5	0	0	0	112	K184 L191 V192 V347 R351	K184-D215 WeakPolarHBondContact CE-OD2 3.39Å; K184-D215 IonicContact NZ-OD1 2.72Å; K184-D215 PolarHBondContact NZ-OD1 3.11Å; K184-D215 IonicContact NZ-OD2 2.9Å; K184-D215 PolarHBondContact NZ-OD2 3.13Å; L191-D215 VanDerWaalsContact CA-OD2 3.3Å; L191-D215 WeakPolarHBondContact CA-OD2 3.32Å; L191-D215 HydrophobicContact CD2-CB 4.13Å; V192-D215 PolarHBondContact N-OD2 3.27Å; V192-D215 PolarHBondContact O-N 2.91Å; D215-V347 HydrophobicContact CB-CG1 4.19Å; D215-V347 HydrophobicContact CB-CG2 4.18Å; D215-R351 IonicContact OD1-CZ 3.66Å; D215-R351 IonicContact OD1-NE 3.89Å; D215-R351 IonicContact OD1-NH2 2.69Å; D215-R351 PolarHBondContact OD1-NH2 3.3Å; D215-R351 IonicContact OD2-NH2 3.94Å
216	V	95.2	Very high	97.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.2	-179.9	-174.5	0	0	0	0	109.6	V192 E193 A194 V214 V256 K258 L343	V192-V216 PolarHBondContact O-N 3.06Å; E193-V216 WeakPolarHBondContact CA-O 3.37Å; E193-V216 HydrophobicContact CB-CB 3.92Å; E193-V216 HydrophobicContact CB-CG1 4.44Å; E193-V216 HydrophobicContact CG-CB 3.96Å; E193-V216 HydrophobicContact CG-CG1 3.94Å; A194-V216 PolarHBondContact N-O 3.17Å; V214-V216 WeakPolarHBondContact CG2-O 3.04Å; V216-V256 CarbonylContact C-O 3.54Å; V216-V256 WeakPolarHBondContact CA-O 3.27Å; V216-V256 HydrophobicContact CG1-CB 4.44Å; V216-V256 HydrophobicContact CG1-CG1 4.22Å; V216-V256 HydrophobicContact CG2-CB 4.19Å; V216-V256 HydrophobicContact CG2-CG1 4.37Å; V216-K258 HydrophobicContact CG1-CB 3.97Å; V216-K258 HydrophobicContact CG1-CD 4.4Å; V216-L343 HydrophobicContact CG2-CD1 4.43Å; V216-L343 HydrophobicContact CG2-CD2 4.18Å
217	Y	97	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.1	172.3	-172.9	-82.8	0	0	0	109.2	V196 I206 I209 V210 C244 L245 A248 V256 T257 K258	V196-Y217 HydrophobicContact CG2-CD2 4.48Å; V196-Y217 HydrophobicContact CG2-CE1 4.01Å; V196-Y217 HydrophobicContact CG2-CE2 3.73Å; V196-Y217 VanDerWaalsContact CG2-CZ 3.44Å; V196-Y217 WeakPolarHBondContact CG2-OH 3.39Å; I206-Y217 HydrophobicContact CG2-CE2 4.12Å; I209-Y217 HydrophobicContact CB-CD2 4.29Å; I209-Y217 HydrophobicContact CB-CE2 3.9Å; I209-Y217 HydrophobicContact CG2-CD2 3.74Å; I209-Y217 HydrophobicContact CG2-CE2 3.74Å; V210-Y217 HydrophobicContact CG2-CD2 3.99Å; V210-Y217 HydrophobicContact CG2-CE2 4.38Å; Y217-C244 PolarHBondContact OH-SG 2.87Å; Y217-L245 HydrophobicContact CD1-CD2 4.33Å; Y217-A248 HydrophobicContact CD1-CB 3.68Å; Y217-A248 HydrophobicContact CD2-CB 4.26Å; Y217-A248 HydrophobicContact CE1-CB 3.92Å; Y217-A248 HydrophobicContact CE2-CB 4.46Å; Y217-A248 HydrophobicContact CG-CB 3.87Å; Y217-V256 PolarHBondContact N-O 3.35Å; Y217-T257 CarbonylContact O-C 3.56Å; Y217-T257 VanDerWaalsContact O-CA 3.28Å; Y217-T257 WeakPolarHBondContact O-CA 3.21Å; Y217-K258 PolarHBondContact O-N 3.16Å
218	A	96.7	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.6	-176.8	0	0	0	0	0	111.9	E193 A194 L195 V196 K258	E193-A218 HydrophobicContact CG-CB 4.14Å; A194-A218 WeakPolarHBondContact O-CA 3.48Å; A194-A218 PolarHBondContact O-N 2.96Å; A194-A218 VanDerWaalsContact O-O 3.1Å; L195-A218 CarbonylContact C-O 3.51Å; L195-A218 WeakPolarHBondContact CA-O 3.32Å; L195-A218 HydrophobicContact CB-CB 4.3Å; L195-A218 HydrophobicContact CD1-CB 4.07Å; V196-A218 PolarHBondContact N-O 3.41Å; A218-K258 VanDerWaalsContact CA-O 3.24Å; A218-K258 WeakPolarHBondContact CA-O 3.42Å; A218-K258 HydrophobicContact CB-CB 4.05Å
219	H	97	Very high	97.4	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	14%	0.139	C	C	.	.			trans	-148.9	130.3	169.3	179.4	72.1	0	0	0	109	V196 D198 S241 L245 K258 S259	V196-H219 PolarHBondContact O-ND1 3.46Å; D198-H219 PolarHBondContact N-CE1 2.75Å; H219-S241 VanDerWaalsContact CD2-CB 3.43Å; H219-S241 WeakPolarHBondContact CD2-CB 3.49Å; H219-S241 PolarHBondContact CD2-OG 3.49Å; H219-S241 VanDerWaalsContact NE2-CB 3.27Å; H219-S241 WeakPolarHBondContact NE2-CB 3.3Å; H219-S241 PolarHBondContact NE2-OG 3.4Å; H219-L245 HydrophobicContact CB-CD2 3.83Å; H219-L245 HydrophobicContact CB-CG 4.08Å; H219-K258 PolarHBondContact N-O 3.49Å; H219-S259 WeakPolarHBondContact O-CA 3.47Å; H219-S259 WeakPolarHBondContact O-CB 3.43Å; H219-S259 PolarHBondContact O-OG 3.08Å
220	N	96.9	Very high	97.3	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.048	17%	0.166	C	C	.	.			trans	-89.3	129.7	-176.4	-65.2	-18.7	0	0	0	111.5	E222 R232 S260 S334	N220-E222 HydrophobicContact CB-CG 3.82Å; N220-E222 WeakPolarHBondContact CB-OE1 3.41Å; N220-E222 PolarHBondContact ND2-OE1 3.23Å; N220-E222 VanDerWaalsContact ND2-OE1 3.07Å; N220-R232 PolarHBondContact O-NH2 2.95Å; N220-S260 WeakPolarHBondContact OD1-CB 3.36Å; N220-S260 PolarHBondContact OD1-N 3.08Å; N220-S334 WeakPolarHBondContact ND2-CB 3.34Å
221	V	97.8	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.			trans	-72.9	-20.1	163.8	-63.9	0	0	0	0	111.9	T223 R232 M242 S259 S260 I261 T275 L279	V221-T223 PolarHBondContact O-N 2.85Å; V221-R232 WeakPolarHBondContact O-CD 3.28Å; V221-R232 PolarHBondContact O-NH1 3.47Å; V221-R232 VanDerWaalsContact O-NH1 3.1Å; V221-M242 HydrophobicContact CG1-CE 3.71Å; V221-M242 HydrophobicContact CG1-SD 3.77Å; V221-S259 PolarHBondContact N-OG 3.09Å; V221-S259 VanDerWaalsContact N-OG 3.16Å; V221-S260 WeakPolarHBondContact CG2-O 3.31Å; V221-I261 HydrophobicContact CG2-CG1 3.86Å; V221-T275 HydrophobicContact CG2-CG2 4.03Å; V221-L279 HydrophobicContact CG1-CD2 3.93Å; V221-L279 HydrophobicContact CG2-CD1 4.42Å
222	E	97.1	Very high	97.3	Very high	30 Å²	30	28.2 Å²	28.2	14%	0.14	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	67.7	-42.2	174.8	-58.2	-65.7	179.3	0	0	115.2	F122 N220 R232 S260 M262	F122-E222 HydrophobicContact CE1-CB 4.24Å; F122-E222 HydrophobicContact CE1-CG 4.09Å; F122-E222 HydrophobicContact CZ-CB 4.21Å; F122-E222 HydrophobicContact CZ-CG 3.7Å; N220-E222 HydrophobicContact CB-CG 3.82Å; N220-E222 WeakPolarHBondContact CB-OE1 3.41Å; N220-E222 PolarHBondContact ND2-OE1 3.23Å; N220-E222 VanDerWaalsContact ND2-OE1 3.07Å; E222-R232 HydrophobicContact CB-CG 4.33Å; E222-S260 PolarHBondContact N-O 3.22Å; E222-M262 HydrophobicContact CB-CE 3.81Å; E222-M262 HydrophobicContact CG-CE 4.48Å; E222-M262 WeakPolarHBondContact O-CB 3.27Å; E222-M262 PolarHBondContact O-N 2.93Å; E222-M262 WeakPolarHBondContact OE2-CE 3.34Å
223	T	98.2	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-155.4	179.5	-178.2	-165.1	0	0	0	0	111	V221 L227 V231	V221-T223 PolarHBondContact O-N 2.85Å; T223-L227 HydrophobicContact CG2-CB 3.84Å; T223-L227 WeakPolarHBondContact OG1-CB 3.41Å; T223-V231 HydrophobicContact CG2-CB 3.85Å; T223-V231 HydrophobicContact CG2-CG1 3.96Å; T223-V231 HydrophobicContact CG2-CG2 4.1Å
224	V	98.6	Very high	97.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.162	C	C	.	.			trans	-74.4	160.6	179.3	-57.4	0	0	0	0	111.9	R226 L227 T228 E267 E271 I272	V224-R226 PolarHBondContact O-N 3.31Å; V224-L227 HydrophobicContact CG2-CB 3.98Å; V224-L227 HydrophobicContact CG2-CD1 4Å; V224-L227 HydrophobicContact CG2-CG 3.77Å; V224-L227 PolarHBondContact O-N 3.23Å; V224-L227 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-N 3.08Å; V224-T228 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 3.38Å; V224-T228 VanDerWaalsContact O-OG1 3.1Å; V224-E267 HydrophobicContact CG1-CB 3.86Å; V224-E267 HydrophobicContact CG1-CG 4.49Å; V224-E267 HydrophobicContact CG2-CB 3.81Å; V224-E271 HydrophobicContact CB-CB 3.95Å; V224-E271 HydrophobicContact CG1-CB 3.78Å; V224-E271 HydrophobicContact CG2-CB 4.06Å; V224-I272 HydrophobicContact CG1-CG1 4.34Å
225	L	98.5	Very high	96.8	Very high	98 Å²	98	36.4 Å²	36.4	51%	0.513	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-49.9	-176.3	176.4	59.9	0	0	0	113.1	L227 T228 Y238	L225-L227 VanDerWaalsContact C-N 3.29Å; L225-L227 PolarHBondContact O-N 3.09Å; L225-T228 WeakPolarHBondContact O-CB 3.42Å; L225-T228 PolarHBondContact O-N 2.92Å; L225-Y238 HydrophobicContact CB-CD1 4.38Å; L225-Y238 HydrophobicContact CB-CD2 4.25Å; L225-Y238 HydrophobicContact CB-CE1 4.32Å; L225-Y238 HydrophobicContact CB-CE2 4.2Å; L225-Y238 HydrophobicContact CB-CG 4.31Å; L225-Y238 HydrophobicContact CD1-CD1 3.76Å; L225-Y238 HydrophobicContact CD1-CD2 4.4Å; L225-Y238 HydrophobicContact CD1-CE1 4.42Å; L225-Y238 HydrophobicContact CD1-CG 3.71Å
226	R	98.4	Very high	96.8	Very high	118 Å²	118	35.8 Å²	35.8	45%	0.445	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.8	-179.4	180	178.7	56.6	80.6	5.2	113	V224 Y230 G266 E271	V224-R226 PolarHBondContact O-N 3.31Å; R226-Y230 WeakPolarHBondContact O-CD2 3.39Å; R226-Y230 WeakPolarHBondContact O-CE2 3.14Å; R226-G266 PolarHBondContact NH2-O 3.16Å; R226-E271 IonicContact CZ-OE1 3.39Å; R226-E271 IonicContact CZ-OE2 3.63Å; R226-E271 IonicContact NE-OE1 2.66Å; R226-E271 PolarHBondContact NE-OE1 3.36Å; R226-E271 IonicContact NE-OE2 3.69Å; R226-E271 IonicContact NH2-OE1 3.28Å; R226-E271 PolarHBondContact NH2-OE1 2.76Å; R226-E271 IonicContact NH2-OE2 2.73Å; R226-E271 PolarHBondContact NH2-OE2 3.39Å
227	L	98.4	Very high	96.8	Very high	12 Å²	12	42 Å²	42	6%	0.063	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.1	-175.9	-68.7	-173.8	0	0	0	112.9	T223 V224 L225 Y230 V231 L265 E267	T223-L227 HydrophobicContact CG2-CB 3.84Å; T223-L227 WeakPolarHBondContact OG1-CB 3.41Å; V224-L227 HydrophobicContact CG2-CB 3.98Å; V224-L227 HydrophobicContact CG2-CD1 4Å; V224-L227 HydrophobicContact CG2-CG 3.77Å; V224-L227 PolarHBondContact O-N 3.23Å; V224-L227 VanDerWaalsContact O-N 3.08Å; L225-L227 VanDerWaalsContact C-N 3.29Å; L225-L227 PolarHBondContact O-N 3.09Å; L227-Y230 PolarHBondContact O-N 3.34Å; L227-V231 HydrophobicContact CB-CG2 3.95Å; L227-V231 WeakPolarHBondContact O-CB 3.49Å; L227-V231 WeakPolarHBondContact O-CG2 3.36Å; L227-V231 PolarHBondContact O-N 3.23Å; L227-L265 HydrophobicContact CD1-CB 3.89Å; L227-E267 HydrophobicContact CD1-CB 3.97Å
228	T	98.3	Very high	96.9	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	20%	0.203	C	C	.	.	H	α-helix	trans	-48.9	-49.6	-176.2	-70.5	0	0	0	0	113.4	V224 L225 Y230 V231 R232	V224-T228 PolarHBondContact O-N 3.08Å; V224-T228 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 3.38Å; V224-T228 VanDerWaalsContact O-OG1 3.1Å; L225-T228 WeakPolarHBondContact O-CB 3.42Å; L225-T228 PolarHBondContact O-N 2.92Å; T228-Y230 PolarHBondContact O-N 2.81Å; T228-V231 PolarHBondContact O-N 2.88Å; T228-R232 PolarHBondContact O-N 3.45Å
229	P	97.4	Very high	96.9	Very high	84 Å²	84	47.1 Å²	47.1	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-22	179.4	-21.8	34.5	0	0	0	114.8
230	Y	97	Very high	96.9	Very high	144 Å²	144	48.5 Å²	48.5	57%	0.565	24%	0.235	S	C	*	.	H	α-helix	trans	-95.5	-23.7	-178.7	-55.1	-76.5	0	0	0	112.6	R121 R226 L227 T228	R121-Y230 VanDerWaalsContact CD-O 3.3Å; R121-Y230 WeakPolarHBondContact CD-O 3.32Å; R121-Y230 PolarHBondContact NH1-O 2.81Å; R121-Y230 VanDerWaalsContact NH1-O 3.15Å; R226-Y230 WeakPolarHBondContact O-CD2 3.39Å; R226-Y230 WeakPolarHBondContact O-CE2 3.14Å; L227-Y230 PolarHBondContact O-N 3.34Å; T228-Y230 PolarHBondContact O-N 2.81Å
231	V	97.6	Very high	97	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-100.5	-46.1	-173.5	172.9	0	0	0	0	111.9	R121 F122 T223 L227 T228 L265 L300	R121-V231 PolarHBondContact N-O 3.48Å; F122-V231 HydrophobicContact CB-CG1 4.4Å; F122-V231 HydrophobicContact CD1-CG1 3.52Å; F122-V231 HydrophobicContact CE1-CG1 4.18Å; F122-V231 HydrophobicContact CG-CG1 4.3Å; T223-V231 HydrophobicContact CG2-CB 3.85Å; T223-V231 HydrophobicContact CG2-CG1 3.96Å; T223-V231 HydrophobicContact CG2-CG2 4.1Å; L227-V231 HydrophobicContact CB-CG2 3.95Å; L227-V231 WeakPolarHBondContact O-CB 3.49Å; L227-V231 WeakPolarHBondContact O-CG2 3.36Å; L227-V231 PolarHBondContact O-N 3.23Å; T228-V231 PolarHBondContact O-N 2.88Å; V231-L265 HydrophobicContact CG1-CD1 3.91Å; V231-L265 HydrophobicContact CG2-CD1 4.05Å; V231-L300 HydrophobicContact CB-CD1 4.2Å; V231-L300 HydrophobicContact CG1-CD1 4.23Å; V231-L300 HydrophobicContact CG2-CD1 3.85Å
232	R	97.2	Very high	97	Very high	13 Å²	13	48.1 Å²	48.1	5%	0.049	23%	0.233	C	C	.	.	S	Bend	trans	-100.5	163.6	-172.5	-52.4	-178.5	76.1	-168.8	-1.2	111	F122 N220 V221 E222 T228 A236 S241	F122-R232 HydrophobicContact CE1-CG 4.33Å; N220-R232 PolarHBondContact O-NH2 2.95Å; V221-R232 WeakPolarHBondContact O-CD 3.28Å; V221-R232 PolarHBondContact O-NH1 3.47Å; V221-R232 VanDerWaalsContact O-NH1 3.1Å; E222-R232 HydrophobicContact CB-CG 4.33Å; T228-R232 PolarHBondContact O-N 3.45Å; R232-A236 HydrophobicContact CB-CB 4.02Å; R232-S241 PolarHBondContact NH1-OG 3.36Å; R232-S241 PolarHBondContact NH2-OG 2.94Å
233	D	94.9	Very high	97.1	Very high	14 Å²	14	51.7 Å²	51.7	8%	0.075	25%	0.249	C	C	.	.			trans	-60	142.5	169.8	-174.6	-74.4	0	0	0	110	R118 A119 C120 R235 A236	R118-D233 WeakPolarHBondContact CA-OD2 3.48Å; R118-D233 HydrophobicContact CB-CB 3.88Å; R118-D233 HydrophobicContact CG-CB 4.17Å; A119-D233 PolarHBondContact N-OD2 3.45Å; C120-D233 PolarHBondContact SG-N 3.36Å; C120-D233 VanDerWaalsContact SG-N 3.42Å; D233-R235 PolarHBondContact O-N 3.19Å; D233-R235 WeakPolarHBondContact OD1-CB 3.47Å; D233-R235 IonicContact OD1-CZ 2.77Å; D233-R235 PolarHBondContact OD1-N 3.38Å; D233-R235 IonicContact OD1-NE 2.73Å; D233-R235 PolarHBondContact OD1-NE 3.43Å; D233-R235 IonicContact OD1-NH2 3.45Å; D233-R235 PolarHBondContact OD1-NH2 3.35Å; D233-R235 IonicContact OD2-CZ 2.74Å; D233-R235 IonicContact OD2-NE 3.22Å; D233-R235 IonicContact OD2-NH2 3.08Å; D233-R235 PolarHBondContact OD2-NH2 3.35Å; D233-A236 HydrophobicContact CB-CB 4.49Å; D233-A236 WeakPolarHBondContact O-CA 3.24Å; D233-A236 WeakPolarHBondContact O-CB 3.3Å; D233-A236 PolarHBondContact O-N 3.35Å
234	P	93.9	Very high	97	Very high	112 Å²	112	51.8 Å²	51.8	73%	0.727	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.3	-179.7	-28.2	35.9	0	0	0	115.5
235	R	92.5	Very high	97	Very high	92 Å²	92	51.7 Å²	51.7	35%	0.347	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.2	174.8	-65.2	167.7	-71	176.1	-4.8	113.1	T117 D233 K237 Q240	T117-R235 PolarHBondContact O-NH2 3.39Å; D233-R235 PolarHBondContact O-N 3.19Å; D233-R235 WeakPolarHBondContact OD1-CB 3.47Å; D233-R235 IonicContact OD1-CZ 2.77Å; D233-R235 PolarHBondContact OD1-N 3.38Å; D233-R235 IonicContact OD1-NE 2.73Å; D233-R235 PolarHBondContact OD1-NE 3.43Å; D233-R235 IonicContact OD1-NH2 3.45Å; D233-R235 PolarHBondContact OD1-NH2 3.35Å; D233-R235 IonicContact OD2-CZ 2.74Å; D233-R235 IonicContact OD2-NE 3.22Å; D233-R235 IonicContact OD2-NH2 3.08Å; D233-R235 PolarHBondContact OD2-NH2 3.35Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.23Å; R235-K237 VanDerWaalsContact O-N 3.16Å; R235-Q240 PolarHBondContact O-NE2 2.92Å
236	A	93.5	Very high	97	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	24%	0.237	C	C	.	.	S	Bend	trans	-88.1	67.6	-179.4	0	0	0	0	0	111.4	R232 D233	R232-A236 HydrophobicContact CB-CB 4.02Å; D233-A236 HydrophobicContact CB-CB 4.49Å; D233-A236 WeakPolarHBondContact O-CA 3.24Å; D233-A236 WeakPolarHBondContact O-CB 3.3Å; D233-A236 PolarHBondContact O-N 3.35Å
237	K	95.9	Very high	97	Very high	131 Å²	131	46 Å²	46	57%	0.57	22%	0.224	S	C	*	.			trans	-73.3	145.7	-175.3	-62.4	179.2	-179	176.1	0	111.7	R235 Q240 S241	R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.23Å; R235-K237 VanDerWaalsContact O-N 3.16Å; K237-Q240 HydrophobicContact CB-CB 4.01Å; K237-Q240 PolarHBondContact O-N 3.08Å; K237-S241 PolarHBondContact O-N 3.41Å; K237-S241 VanDerWaalsContact O-N 3.08Å; K237-S241 PolarHBondContact O-OG 3.21Å
238	Y	98.4	Very high	97	Very high	11 Å²	11	45.4 Å²	45.4	4%	0.043	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-55	178.8	-175.1	-95.7	0	0	0	112.1	L225 Q240 S241 M242 T275 D278	L225-Y238 HydrophobicContact CB-CD1 4.38Å; L225-Y238 HydrophobicContact CB-CD2 4.25Å; L225-Y238 HydrophobicContact CB-CE1 4.32Å; L225-Y238 HydrophobicContact CB-CE2 4.2Å; L225-Y238 HydrophobicContact CB-CG 4.31Å; L225-Y238 HydrophobicContact CD1-CD1 3.76Å; L225-Y238 HydrophobicContact CD1-CD2 4.4Å; L225-Y238 HydrophobicContact CD1-CE1 4.42Å; L225-Y238 HydrophobicContact CD1-CG 3.71Å; Y238-Q240 VanDerWaalsContact C-N 3.27Å; Y238-Q240 PolarHBondContact O-N 2.94Å; Y238-S241 WeakPolarHBondContact O-CB 3.45Å; Y238-S241 PolarHBondContact O-N 3.49Å; Y238-S241 VanDerWaalsContact O-N 3.13Å; Y238-M242 HydrophobicContact CD1-CE 4.37Å; Y238-M242 HydrophobicContact CD1-CG 4.34Å; Y238-M242 HydrophobicContact CD2-CE 4.48Å; Y238-M242 HydrophobicContact CE1-CE 3.6Å; Y238-M242 HydrophobicContact CE1-CG 4.2Å; Y238-M242 HydrophobicContact CE2-CE 3.71Å; Y238-M242 WeakPolarHBondContact O-CG 3.39Å; Y238-M242 PolarHBondContact O-N 2.66Å; Y238-M242 VanDerWaalsContact O-N 3.11Å; Y238-M242 VanDerWaalsContact OH-CE 3.25Å; Y238-M242 WeakPolarHBondContact OH-CE 3.35Å; Y238-T275 HydrophobicContact CE2-CG2 4.01Å; Y238-T275 WeakPolarHBondContact OH-CA 3.32Å; Y238-T275 WeakPolarHBondContact OH-CB 3.47Å; Y238-T275 WeakPolarHBondContact OH-CG2 3.46Å; Y238-T275 PolarHBondContact OH-OG1 3.43Å; Y238-D278 WeakPolarHBondContact CE1-OD2 3.44Å; Y238-D278 PolarHBondContact OH-OD2 3.23Å
239	D	97.9	Very high	96.9	Very high	97 Å²	97	46.1 Å²	46.1	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-32.5	-178.7	-53.3	-34.5	0	0	0	112.5	M242 H243	D239-M242 PolarHBondContact O-N 2.94Å; D239-H243 WeakPolarHBondContact O-CB 3.48Å; D239-H243 PolarHBondContact O-N 3.5Å; D239-H243 PolarHBondContact O-ND1 3.48Å
240	Q	97.3	Very high	97	Very high	38 Å²	38	47.6 Å²	47.6	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-42.8	176.3	-174.9	170.9	-83.4	0	0	111.2	D198 R235 K237 Y238 M242 C244	D198-Q240 HydrophobicContact CB-CG 4.13Å; D198-Q240 PolarHBondContact OD1-NE2 3.4Å; D198-Q240 VanDerWaalsContact OD1-NE2 3.17Å; D198-Q240 PolarHBondContact OD2-NE2 3.17Å; R235-Q240 PolarHBondContact O-NE2 2.92Å; K237-Q240 HydrophobicContact CB-CB 4.01Å; K237-Q240 PolarHBondContact O-N 3.08Å; Y238-Q240 VanDerWaalsContact C-N 3.27Å; Y238-Q240 PolarHBondContact O-N 2.94Å; Q240-M242 VanDerWaalsContact C-N 3.31Å; Q240-M242 PolarHBondContact O-N 3.29Å; Q240-C244 VanDerWaalsContact O-CB 3.3Å; Q240-C244 WeakPolarHBondContact O-CB 3.46Å; Q240-C244 PolarHBondContact O-N 3.28Å
241	S	98	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-42.9	172.7	-69.4	0	0	0	0	112	H219 R232 K237 Y238 L245	H219-S241 VanDerWaalsContact CD2-CB 3.43Å; H219-S241 WeakPolarHBondContact CD2-CB 3.49Å; H219-S241 PolarHBondContact CD2-OG 3.49Å; H219-S241 VanDerWaalsContact NE2-CB 3.27Å; H219-S241 WeakPolarHBondContact NE2-CB 3.3Å; H219-S241 PolarHBondContact NE2-OG 3.4Å; R232-S241 PolarHBondContact NH1-OG 3.36Å; R232-S241 PolarHBondContact NH2-OG 2.94Å; K237-S241 PolarHBondContact O-N 3.41Å; K237-S241 VanDerWaalsContact O-N 3.08Å; K237-S241 PolarHBondContact O-OG 3.21Å; Y238-S241 WeakPolarHBondContact O-CB 3.45Å; Y238-S241 PolarHBondContact O-N 3.49Å; Y238-S241 VanDerWaalsContact O-N 3.13Å; S241-L245 PolarHBondContact O-N 3.43Å
242	M	98.3	Very high	97	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-50.1	178.6	-64.3	-59.2	-171.9	0	0	112	V221 Y238 D239 Q240 C244 L245 Q246 T275 D278 L279	V221-M242 HydrophobicContact CG1-CE 3.71Å; V221-M242 HydrophobicContact CG1-SD 3.77Å; Y238-M242 HydrophobicContact CD1-CE 4.37Å; Y238-M242 HydrophobicContact CD1-CG 4.34Å; Y238-M242 HydrophobicContact CD2-CE 4.48Å; Y238-M242 HydrophobicContact CE1-CE 3.6Å; Y238-M242 HydrophobicContact CE1-CG 4.2Å; Y238-M242 HydrophobicContact CE2-CE 3.71Å; Y238-M242 WeakPolarHBondContact O-CG 3.39Å; Y238-M242 PolarHBondContact O-N 2.66Å; Y238-M242 VanDerWaalsContact O-N 3.11Å; Y238-M242 VanDerWaalsContact OH-CE 3.25Å; Y238-M242 WeakPolarHBondContact OH-CE 3.35Å; D239-M242 PolarHBondContact O-N 2.94Å; Q240-M242 VanDerWaalsContact C-N 3.31Å; Q240-M242 PolarHBondContact O-N 3.29Å; M242-C244 VanDerWaalsContact C-N 3.27Å; M242-C244 PolarHBondContact O-N 3.16Å; M242-L245 PolarHBondContact O-N 2.89Å; M242-Q246 WeakPolarHBondContact O-CB 3.22Å; M242-Q246 PolarHBondContact O-N 3.29Å; M242-T275 HydrophobicContact CE-CG2 4.22Å; M242-D278 HydrophobicContact CE-CB 3.74Å; M242-L279 HydrophobicContact CE-CD2 4.02Å; M242-L279 HydrophobicContact CE-CG 4Å; M242-L279 HydrophobicContact SD-CD2 3.6Å; M242-L279 VanDerWaalsContact SD-CD2 3.6Å; M242-L279 HydrophobicContact SD-CG 4.11Å
243	H	98	Very high	96.9	Very high	104 Å²	104	56.3 Å²	56.3	48%	0.481	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-32.8	179	-67.1	157.4	0	0	0	112.7	D239 Y247 H282	D239-H243 WeakPolarHBondContact O-CB 3.48Å; D239-H243 PolarHBondContact O-N 3.5Å; D239-H243 PolarHBondContact O-ND1 3.48Å; H243-Y247 WeakPolarHBondContact O-CB 3.44Å; H243-Y247 PolarHBondContact O-N 3.31Å; H243-H282 AromaticContact CD2-NE2 3.86Å
244	C	97.6	Very high	96.8	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-48.9	174.6	179.1	0	0	0	0	111.4	I206 Y217 Q240 M242 Y247 A248	I206-C244 HydrophobicContact CD1-CB 4.2Å; Y217-C244 PolarHBondContact OH-SG 2.87Å; Q240-C244 VanDerWaalsContact O-CB 3.3Å; Q240-C244 WeakPolarHBondContact O-CB 3.46Å; Q240-C244 PolarHBondContact O-N 3.28Å; M242-C244 VanDerWaalsContact C-N 3.27Å; M242-C244 PolarHBondContact O-N 3.16Å; C244-Y247 PolarHBondContact O-N 3.49Å; C244-A248 PolarHBondContact O-N 2.89Å
245	L	98.3	Very high	96.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-45.6	177.2	-69.4	164.7	0	0	0	111.9	Y217 H219 S241 M242 Y247 A248 K249 L279 V284	Y217-L245 HydrophobicContact CD1-CD2 4.33Å; H219-L245 HydrophobicContact CB-CD2 3.83Å; H219-L245 HydrophobicContact CB-CG 4.08Å; S241-L245 PolarHBondContact O-N 3.43Å; M242-L245 PolarHBondContact O-N 2.89Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 3.2Å; L245-A248 PolarHBondContact O-N 2.91Å; L245-K249 PolarHBondContact O-N 3.4Å; L245-L279 HydrophobicContact CD1-CD2 4.02Å; L245-V284 HydrophobicContact CB-CG2 3.82Å; L245-V284 HydrophobicContact CD1-CG2 3.77Å; L245-V284 HydrophobicContact CG-CG2 4.3Å
246	Q	98.4	Very high	97	Very high	56 Å²	56	50.4 Å²	50.4	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-44	178.6	-167.1	-175.8	32.2	0	0	111.3	M242 A248 K249 I250 H282	M242-Q246 WeakPolarHBondContact O-CB 3.22Å; M242-Q246 PolarHBondContact O-N 3.29Å; Q246-A248 PolarHBondContact O-N 3.34Å; Q246-K249 WeakPolarHBondContact O-CB 3.42Å; Q246-K249 PolarHBondContact O-N 2.79Å; Q246-K249 VanDerWaalsContact O-N 3.15Å; Q246-I250 HydrophobicContact CG-CD1 3.93Å; Q246-I250 HydrophobicContact CG-CG1 4.48Å; Q246-I250 WeakPolarHBondContact O-CG1 3.37Å; Q246-I250 PolarHBondContact O-N 2.99Å; Q246-H282 WeakPolarHBondContact CA-O 3.11Å; Q246-H282 HydrophobicContact CB-CB 4.01Å; Q246-H282 HydrophobicContact CG-CB 4.3Å; Q246-H282 PolarHBondContact OE1-CD2 2.78Å
247	Y	98.5	Very high	97.1	Very high	40 Å²	40	50.3 Å²	50.3	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-39.2	-178.3	-174.3	-103.8	0	0	0	112.2	K203 I206 Q207 H243 C244 L245 K249 I250 Y251	K203-Y247 HydrophobicContact CB-CD1 4.12Å; K203-Y247 HydrophobicContact CB-CE1 3.46Å; K203-Y247 VanDerWaalsContact CB-CE1 3.46Å; K203-Y247 HydrophobicContact CB-CE2 4.39Å; K203-Y247 HydrophobicContact CD-CD2 4.02Å; K203-Y247 HydrophobicContact CD-CE1 4.18Å; K203-Y247 HydrophobicContact CD-CE2 3.57Å; K203-Y247 HydrophobicContact CG-CD1 3.87Å; K203-Y247 HydrophobicContact CG-CD2 4.13Å; K203-Y247 HydrophobicContact CG-CE1 3.61Å; K203-Y247 HydrophobicContact CG-CE2 3.91Å; K203-Y247 HydrophobicContact CG-CG 4.11Å; I206-Y247 HydrophobicContact CB-CD1 3.97Å; I206-Y247 HydrophobicContact CB-CE1 4.4Å; I206-Y247 HydrophobicContact CD1-CD1 3.89Å; I206-Y247 HydrophobicContact CG2-CD1 3.83Å; I206-Y247 HydrophobicContact CG2-CE1 4.49Å; Q207-Y247 HydrophobicContact CG-CE1 3.95Å; Q207-Y247 PolarHBondContact NE2-OH 2.72Å; H243-Y247 WeakPolarHBondContact O-CB 3.44Å; H243-Y247 PolarHBondContact O-N 3.31Å; C244-Y247 PolarHBondContact O-N 3.49Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 3.2Å; Y247-K249 PolarHBondContact O-N 2.94Å; Y247-I250 PolarHBondContact O-N 3.24Å; Y247-Y251 WeakPolarHBondContact O-CB 3.49Å; Y247-Y251 PolarHBondContact O-N 3.38Å
248	A	98.2	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.6	-42.3	172.5	0	0	0	0	0	111.4	I206 V210 Y217 C244 L245 Q246 Y251 K252 T257	I206-A248 HydrophobicContact CG2-CB 3.9Å; V210-A248 HydrophobicContact CG2-CB 4Å; Y217-A248 HydrophobicContact CD1-CB 3.68Å; Y217-A248 HydrophobicContact CD2-CB 4.26Å; Y217-A248 HydrophobicContact CE1-CB 3.92Å; Y217-A248 HydrophobicContact CE2-CB 4.46Å; Y217-A248 HydrophobicContact CG-CB 3.87Å; C244-A248 PolarHBondContact O-N 2.89Å; L245-A248 PolarHBondContact O-N 2.91Å; Q246-A248 PolarHBondContact O-N 3.34Å; A248-Y251 PolarHBondContact O-N 3.45Å; A248-K252 PolarHBondContact O-N 3.15Å; A248-T257 HydrophobicContact CB-CG2 4.47Å
249	K	96.9	Very high	97.1	Very high	24 Å²	24	43.7 Å²	43.7	10%	0.104	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-40.3	177.8	-166.2	62.3	162.2	-172.8	0	113.5	L245 Q246 Y247 Y251 K252 K253 I255 T257 D283 D285	L245-K249 PolarHBondContact O-N 3.4Å; Q246-K249 WeakPolarHBondContact O-CB 3.42Å; Q246-K249 PolarHBondContact O-N 2.79Å; Q246-K249 VanDerWaalsContact O-N 3.15Å; Y247-K249 PolarHBondContact O-N 2.94Å; K249-Y251 VanDerWaalsContact C-N 3.35Å; K249-K252 CarbonylContact O-C 3.5Å; K249-K252 VanDerWaalsContact O-C 3.22Å; K249-K253 WeakPolarHBondContact CE-O 3.45Å; K249-K253 PolarHBondContact NZ-O 3.18Å; K249-K253 VanDerWaalsContact NZ-O 3.11Å; K249-K253 VanDerWaalsContact O-CA 3.27Å; K249-K253 WeakPolarHBondContact O-CA 3.39Å; K249-K253 PolarHBondContact O-N 3.48Å; K249-I255 HydrophobicContact CD-CG2 4.27Å; K249-I255 PolarHBondContact NZ-O 2.98Å; K249-T257 HydrophobicContact CB-CG2 4.21Å; K249-T257 HydrophobicContact CD-CG2 4.39Å; K249-D283 HydrophobicContact CB-CB 4.46Å; K249-D283 HydrophobicContact CG-CB 3.76Å; K249-D285 VanDerWaalsContact NZ-CG 3.25Å; K249-D285 IonicContact NZ-OD1 3.75Å; K249-D285 PolarHBondContact NZ-OD1 3.3Å; K249-D285 IonicContact NZ-OD2 3.32Å; K249-D285 PolarHBondContact NZ-OD2 3.06Å
250	I	97.9	Very high	97	Very high	115 Å²	115	39.4 Å²	39.4	59%	0.59	18%	0.181	S	C	*	.	H	α-helix	trans	-63	-44.2	175	-71.3	167	0	0	0	110.4	Q246 Y247	Q246-I250 HydrophobicContact CG-CD1 3.93Å; Q246-I250 HydrophobicContact CG-CG1 4.48Å; Q246-I250 WeakPolarHBondContact O-CG1 3.37Å; Q246-I250 PolarHBondContact O-N 2.99Å; Y247-I250 PolarHBondContact O-N 3.24Å
251	Y	98.1	Very high	97	Very high	95 Å²	95	37.6 Å²	37.6	37%	0.373	17%	0.173	S	C	.	.	H	α-helix	trans	-67.9	-41.1	-178	-174.4	-113.8	0	0	0	112	Q207 V210 D211 Y247 A248 K249	Q207-Y251 HydrophobicContact CB-CD1 4.33Å; Q207-Y251 HydrophobicContact CB-CE1 3.93Å; Q207-Y251 HydrophobicContact CG-CD1 3.91Å; Q207-Y251 HydrophobicContact CG-CD2 3.88Å; Q207-Y251 HydrophobicContact CG-CE1 3.81Å; Q207-Y251 HydrophobicContact CG-CE2 3.78Å; Q207-Y251 HydrophobicContact CG-CG 3.95Å; V210-Y251 HydrophobicContact CB-CD1 4.06Å; V210-Y251 HydrophobicContact CB-CE1 4.44Å; V210-Y251 HydrophobicContact CG1-CD1 3.82Å; V210-Y251 HydrophobicContact CG1-CE1 4.28Å; D211-Y251 WeakPolarHBondContact OD1-CE1 3.41Å; D211-Y251 PolarHBondContact OD2-OH 3.35Å; D211-Y251 VanDerWaalsContact OD2-OH 3.12Å; Y247-Y251 WeakPolarHBondContact O-CB 3.49Å; Y247-Y251 PolarHBondContact O-N 3.38Å; A248-Y251 PolarHBondContact O-N 3.45Å; K249-Y251 VanDerWaalsContact C-N 3.35Å
252	K	97.2	Very high	97	Very high	67 Å²	67	38.8 Å²	38.8	29%	0.291	18%	0.179	S	C	.	.			trans	-135.1	96.4	177.2	-175.3	172.2	-178.3	179.7	0	110.9	V210 A248 K249 D254 I255	V210-K252 HydrophobicContact CG1-CB 3.44Å; V210-K252 VanDerWaalsContact CG1-CB 3.44Å; V210-K252 HydrophobicContact CG1-CD 3.6Å; V210-K252 HydrophobicContact CG1-CG 4.13Å; A248-K252 PolarHBondContact O-N 3.15Å; K249-K252 CarbonylContact O-C 3.5Å; K249-K252 VanDerWaalsContact O-C 3.22Å; K252-D254 VanDerWaalsContact CE-OD1 3.29Å; K252-D254 WeakPolarHBondContact CE-OD1 3.32Å; K252-D254 WeakPolarHBondContact CG-OD1 3.31Å; K252-D254 PolarHBondContact O-N 2.85Å; K252-D254 VanDerWaalsContact O-N 3.15Å; K252-I255 HydrophobicContact CB-CB 4.19Å; K252-I255 HydrophobicContact CB-CG2 4.46Å; K252-I255 HydrophobicContact CD-CB 4.28Å; K252-I255 HydrophobicContact CD-CD1 4.28Å; K252-I255 HydrophobicContact CG-CB 4.11Å; K252-I255 WeakPolarHBondContact O-CB 3.09Å; K252-I255 WeakPolarHBondContact O-CG2 3.35Å; K252-I255 PolarHBondContact O-N 3.48Å
253	K	94.8	Very high	97	Very high	181 Å²	181	38.8 Å²	38.8	79%	0.787	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.6	-172.3	-170.1	174.3	-178.5	177.5	0	114.2	K249	K249-K253 WeakPolarHBondContact CE-O 3.45Å; K249-K253 PolarHBondContact NZ-O 3.18Å; K249-K253 VanDerWaalsContact NZ-O 3.11Å; K249-K253 VanDerWaalsContact O-CA 3.27Å; K249-K253 WeakPolarHBondContact O-CA 3.39Å; K249-K253 PolarHBondContact O-N 3.48Å
254	D	92.4	Very high	97	Very high	89 Å²	89	33.8 Å²	33.8	48%	0.476	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.3	-179	68.8	-48.3	0	0	0	113.9	K252 R350	K252-D254 VanDerWaalsContact CE-OD1 3.29Å; K252-D254 WeakPolarHBondContact CE-OD1 3.32Å; K252-D254 WeakPolarHBondContact CG-OD1 3.31Å; K252-D254 PolarHBondContact O-N 2.85Å; K252-D254 VanDerWaalsContact O-N 3.15Å; D254-R350 WeakPolarHBondContact O-CD 3.33Å; D254-R350 PolarHBondContact O-NH1 3.28Å
255	I	95.2	Very high	97	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-63.6	143	172.5	-160.1	73	0	0	0	109.8	V214 K249 K252 T257 D285 R350	V214-I255 HydrophobicContact CG1-CD1 3.95Å; V214-I255 WeakPolarHBondContact O-CD1 3.45Å; K249-I255 HydrophobicContact CD-CG2 4.27Å; K249-I255 PolarHBondContact NZ-O 2.98Å; K252-I255 HydrophobicContact CB-CB 4.19Å; K252-I255 HydrophobicContact CB-CG2 4.46Å; K252-I255 HydrophobicContact CD-CB 4.28Å; K252-I255 HydrophobicContact CD-CD1 4.28Å; K252-I255 HydrophobicContact CG-CB 4.11Å; K252-I255 WeakPolarHBondContact O-CB 3.09Å; K252-I255 WeakPolarHBondContact O-CG2 3.35Å; K252-I255 PolarHBondContact O-N 3.48Å; I255-T257 HydrophobicContact CG2-CG2 4.05Å; I255-D285 VanDerWaalsContact O-OD2 3.11Å; I255-R350 VanDerWaalsContact C-NH1 3.27Å; I255-R350 PolarHBondContact O-NH1 2.66Å
256	V	95.2	Very high	96.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.5	170.3	-178.2	0	0	0	0	108.6	V216 Y217 D285 L343 I346 V347 R350	V216-V256 CarbonylContact C-O 3.54Å; V216-V256 WeakPolarHBondContact CA-O 3.27Å; V216-V256 HydrophobicContact CG1-CB 4.44Å; V216-V256 HydrophobicContact CG1-CG1 4.22Å; V216-V256 HydrophobicContact CG2-CB 4.19Å; V216-V256 HydrophobicContact CG2-CG1 4.37Å; Y217-V256 PolarHBondContact N-O 3.35Å; V256-D285 VanDerWaalsContact CA-OD2 3.31Å; V256-D285 WeakPolarHBondContact CA-OD2 3.28Å; V256-D285 HydrophobicContact CG1-CB 4.12Å; V256-L343 HydrophobicContact CG1-CD2 3.69Å; V256-I346 HydrophobicContact CG2-CG2 3.86Å; V256-V347 HydrophobicContact CG2-CG2 4Å; V256-R350 VanDerWaalsContact CG2-NH1 3.34Å
257	T	96.6	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.9	175.2	49.9	0	0	0	0	111.6	Y217 A248 K249 I255 D283 V284 D285 C286	Y217-T257 CarbonylContact O-C 3.56Å; Y217-T257 VanDerWaalsContact O-CA 3.28Å; Y217-T257 WeakPolarHBondContact O-CA 3.21Å; A248-T257 HydrophobicContact CB-CG2 4.47Å; K249-T257 HydrophobicContact CB-CG2 4.21Å; K249-T257 HydrophobicContact CD-CG2 4.39Å; I255-T257 HydrophobicContact CG2-CG2 4.05Å; T257-D283 PolarHBondContact OG1-O 3.44Å; T257-V284 VanDerWaalsContact OG1-CA 3.29Å; T257-V284 WeakPolarHBondContact OG1-CA 3.41Å; T257-D285 PolarHBondContact N-OD2 2.94Å; T257-D285 WeakPolarHBondContact O-CB 3.47Å; T257-D285 PolarHBondContact O-N 2.91Å; T257-D285 PolarHBondContact OG1-N 3.17Å; T257-D285 PolarHBondContact OG1-OD2 3.36Å; T257-C286 PolarHBondContact O-N 3.19Å
258	K	96.1	Very high	96.8	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.8	-177.6	-177.9	-179.9	166.3	-160.3	0	112.4	E193 V216 Y217 A218 H219 C286 S334 L343	E193-K258 WeakPolarHBondContact OE1-CD 3.46Å; E193-K258 IonicContact OE1-NZ 3.94Å; E193-K258 PolarHBondContact OE1-NZ 3.47Å; E193-K258 IonicContact OE2-NZ 3.94Å; E193-K258 PolarHBondContact OE2-NZ 2.95Å; V216-K258 HydrophobicContact CG1-CB 3.97Å; V216-K258 HydrophobicContact CG1-CD 4.4Å; Y217-K258 PolarHBondContact O-N 3.16Å; A218-K258 VanDerWaalsContact CA-O 3.24Å; A218-K258 WeakPolarHBondContact CA-O 3.42Å; A218-K258 HydrophobicContact CB-CB 4.05Å; H219-K258 PolarHBondContact N-O 3.49Å; K258-C286 WeakPolarHBondContact CA-O 3.4Å; K258-C286 HydrophobicContact CB-CB 4.03Å; K258-C286 HydrophobicContact CG-CB 3.94Å; K258-S334 VanDerWaalsContact CE-O 3.32Å; K258-S334 WeakPolarHBondContact CE-O 3.44Å; K258-S334 PolarHBondContact NZ-O 3.19Å; K258-L343 HydrophobicContact CD-CD1 4.38Å
259	S	97.2	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	171	171.5	-155.3	0	0	0	0	112.8	H219 V221 C286 T288	H219-S259 WeakPolarHBondContact O-CA 3.47Å; H219-S259 WeakPolarHBondContact O-CB 3.43Å; H219-S259 PolarHBondContact O-OG 3.08Å; V221-S259 PolarHBondContact N-OG 3.09Å; V221-S259 VanDerWaalsContact N-OG 3.16Å; S259-C286 PolarHBondContact N-O 3.25Å; S259-T288 PolarHBondContact O-N 3.36Å; S259-T288 PolarHBondContact O-OG1 2.83Å
260	S	96.6	Very high	96.9	Very high	6 Å²	6	43 Å²	43	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.8	-179.5	-172.9	0	0	0	0	111.2	N220 V221 E222 T288	N220-S260 WeakPolarHBondContact OD1-CB 3.36Å; N220-S260 PolarHBondContact OD1-N 3.08Å; V221-S260 WeakPolarHBondContact CG2-O 3.31Å; E222-S260 PolarHBondContact N-O 3.22Å; S260-T288 CarbonylContact C-O 3.59Å; S260-T288 VanDerWaalsContact CA-O 3.26Å; S260-T288 WeakPolarHBondContact CA-O 3.14Å; S260-T288 WeakPolarHBondContact CA-OG1 3.48Å; S260-T288 WeakPolarHBondContact CB-OG1 3.39Å; S260-T288 PolarHBondContact OG-OG1 3.25Å; S260-T288 VanDerWaalsContact OG-OG1 3.12Å
261	I	98	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.8	169.7	-46.1	173	0	0	0	108.2	V221 L263 T275 M276 L279 L287 T288 L289 G290	V221-I261 HydrophobicContact CG2-CG1 3.86Å; I261-L263 HydrophobicContact CG2-CD2 4Å; I261-T275 HydrophobicContact CD1-CG2 3.55Å; I261-T275 HydrophobicContact CG1-CG2 4.23Å; I261-M276 HydrophobicContact CD1-CG 4.38Å; I261-L279 HydrophobicContact CD1-CD1 4.35Å; I261-L287 HydrophobicContact CD1-CD1 4.16Å; I261-L287 HydrophobicContact CG1-CD1 4.05Å; I261-T288 PolarHBondContact N-O 3.07Å; I261-L289 HydrophobicContact CB-CD2 3.69Å; I261-L289 HydrophobicContact CD1-CD2 3.87Å; I261-L289 HydrophobicContact CG1-CD2 4.02Å; I261-L289 WeakPolarHBondContact O-CA 2.98Å; I261-G290 PolarHBondContact O-N 2.94Å
262	M	97.4	Very high	96.9	Very high	26 Å²	26	35.4 Å²	35.4	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.3	169.7	-64.5	178.3	-67.8	0	0	110	F122 E222 L265 G290 Y292	F122-M262 HydrophobicContact CB-CE 4.28Å; F122-M262 HydrophobicContact CD1-CE 3.9Å; F122-M262 HydrophobicContact CD2-CE 3.45Å; F122-M262 VanDerWaalsContact CD2-CE 3.45Å; F122-M262 HydrophobicContact CD2-SD 3.67Å; F122-M262 HydrophobicContact CE1-CE 4.01Å; F122-M262 HydrophobicContact CE2-CE 3.59Å; F122-M262 HydrophobicContact CE2-SD 3.96Å; F122-M262 HydrophobicContact CG-CE 3.61Å; F122-M262 HydrophobicContact CG-SD 4.27Å; F122-M262 HydrophobicContact CZ-CE 3.87Å; E222-M262 HydrophobicContact CB-CE 3.81Å; E222-M262 HydrophobicContact CG-CE 4.48Å; E222-M262 WeakPolarHBondContact O-CB 3.27Å; E222-M262 PolarHBondContact O-N 2.93Å; E222-M262 WeakPolarHBondContact OE2-CE 3.34Å; M262-L265 HydrophobicContact CB-CD1 4.37Å; M262-L265 HydrophobicContact CE-CD1 4.25Å; M262-G290 CarbonylContact C-O 3.56Å; M262-G290 WeakPolarHBondContact CA-O 3.48Å; M262-Y292 HydrophobicContact SD-CD2 4Å
263	L	98.3	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151	179.7	-51.6	-171.4	0	0	0	111.8	I261 E267 I272 L289 G290 Q291 Y292 V306 F311 L314	I261-L263 HydrophobicContact CG2-CD2 4Å; L263-E267 WeakPolarHBondContact CA-OE1 3.29Å; L263-E267 WeakPolarHBondContact CB-OE1 3.41Å; L263-E267 HydrophobicContact CD2-CG 4.29Å; L263-I272 HydrophobicContact CD1-CD1 4.26Å; L263-I272 HydrophobicContact CD2-CD1 3.58Å; L263-I272 HydrophobicContact CD2-CG1 3.87Å; L263-I272 HydrophobicContact CD2-CG2 4.46Å; L263-L289 HydrophobicContact CD1-CB 4.45Å; L263-G290 PolarHBondContact N-O 2.95Å; L263-Q291 PolarHBondContact O-NE2 3.42Å; L263-Y292 WeakPolarHBondContact O-CB 3.37Å; L263-Y292 PolarHBondContact O-N 3.1Å; L263-V306 HydrophobicContact CB-CG2 3.88Å; L263-V306 HydrophobicContact CD1-CG1 4.44Å; L263-F311 HydrophobicContact CB-CE1 4.43Å; L263-F311 HydrophobicContact CB-CZ 4.39Å; L263-F311 HydrophobicContact CD1-CD1 4.06Å; L263-F311 HydrophobicContact CD1-CE1 3.56Å; L263-F311 HydrophobicContact CD1-CZ 4.15Å; L263-F311 HydrophobicContact CG-CE1 4.19Å; L263-L314 HydrophobicContact CD1-CD1 3.44Å; L263-L314 VanDerWaalsContact CD1-CD1 3.44Å
264	G	97.3	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	99.5	17.7	-177	0	0	0	0	0	114.4	E267 K303 E304	G264-E267 PolarHBondContact N-OE1 3.47Å; G264-E267 PolarHBondContact N-OE2 2.67Å; G264-K303 PolarHBondContact O-N 2.97Å; G264-E304 WeakPolarHBondContact CA-O 3.2Å; G264-E304 PolarHBondContact O-N 3.47Å
265	L	97.4	Very high	97.5	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.063	14%	0.138	C	C	.	.	S	Bend	trans	-98.1	-2.8	176.7	-70.3	170.1	0	0	0	112.9	L227 V231 M262 E267 Y292 L300 K303	L227-L265 HydrophobicContact CD1-CB 3.89Å; V231-L265 HydrophobicContact CG1-CD1 3.91Å; V231-L265 HydrophobicContact CG2-CD1 4.05Å; M262-L265 HydrophobicContact CB-CD1 4.37Å; M262-L265 HydrophobicContact CE-CD1 4.25Å; L265-E267 WeakPolarHBondContact CA-OE2 3.42Å; L265-E267 PolarHBondContact N-OE2 3.03Å; L265-Y292 HydrophobicContact CD2-CD1 3.38Å; L265-Y292 HydrophobicContact CD2-CD2 4.48Å; L265-Y292 HydrophobicContact CD2-CE1 3.63Å; L265-Y292 HydrophobicContact CD2-CG 3.84Å; L265-Y292 HydrophobicContact CG-CD1 4.04Å; L265-Y292 HydrophobicContact CG-CG 4.14Å; L265-L300 HydrophobicContact CD2-CB 4.2Å; L265-L300 HydrophobicContact CD2-CD1 4.01Å; L265-K303 WeakPolarHBondContact O-CG 3.23Å
266	G	96.6	Very high	97.7	Very high	33 Å²	33	23.7 Å²	23.7	34%	0.34	14%	0.137	S	C	.	.	S	Bend	trans	103.2	21.4	179	0	0	0	0	0	113.4	R226	R226-G266 PolarHBondContact NH2-O 3.16Å
267	E	98.1	Very high	97.8	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.065	16%	0.158	C	C	.	.			trans	-71.1	146.5	168.3	69.4	-67.9	164.8	0	0	110.8	V224 L227 L263 G264 L265 E271 I272	V224-E267 HydrophobicContact CG1-CB 3.86Å; V224-E267 HydrophobicContact CG1-CG 4.49Å; V224-E267 HydrophobicContact CG2-CB 3.81Å; L227-E267 HydrophobicContact CD1-CB 3.97Å; L263-E267 WeakPolarHBondContact CA-OE1 3.29Å; L263-E267 WeakPolarHBondContact CB-OE1 3.41Å; L263-E267 HydrophobicContact CD2-CG 4.29Å; G264-E267 PolarHBondContact N-OE1 3.47Å; G264-E267 PolarHBondContact N-OE2 2.67Å; L265-E267 WeakPolarHBondContact CA-OE2 3.42Å; L265-E267 PolarHBondContact N-OE2 3.03Å; E267-E271 WeakPolarHBondContact CA-OE2 3.3Å; E267-I272 HydrophobicContact CB-CG1 4.29Å; E267-I272 HydrophobicContact CG-CD1 3.63Å; E267-I272 HydrophobicContact CG-CG1 3.54Å
268	T	97.8	Very high	97.9	Very high	70 Å²	70	30.4 Å²	30.4	43%	0.429	17%	0.168	S	C	.	.			trans	-87.7	162.2	167.4	74	0	0	0	0	110	D270 E271 I272	T268-D270 VanDerWaalsContact C-N 3.32Å; T268-D270 PolarHBondContact O-N 3.37Å; T268-E271 PolarHBondContact N-OE2 3.34Å; T268-E271 WeakPolarHBondContact O-CB 3.41Å; T268-E271 PolarHBondContact O-N 3.5Å; T268-E271 VanDerWaalsContact OG1-CG 3.29Å; T268-E271 WeakPolarHBondContact OG1-CG 3.24Å; T268-E271 PolarHBondContact OG1-N 3.14Å; T268-I272 WeakPolarHBondContact O-CG1 3.41Å; T268-I272 PolarHBondContact O-N 2.78Å
269	E	97.5	Very high	98.1	Very high	61 Å²	61	30.3 Å²	30.3	29%	0.285	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-41.1	174.4	-175.7	-178.3	172.6	0	0	112.8	E271 I272 V273 R313 L314	E269-E271 PolarHBondContact O-N 3.06Å; E269-I272 WeakPolarHBondContact O-CB 3.45Å; E269-I272 PolarHBondContact O-N 3.27Å; E269-I272 VanDerWaalsContact O-N 3.08Å; E269-V273 HydrophobicContact CG-CG2 4.19Å; E269-V273 WeakPolarHBondContact O-CG2 3.3Å; E269-V273 PolarHBondContact O-N 3.2Å; E269-R313 IonicContact OE1-CZ 3.77Å; E269-R313 IonicContact OE1-NE 3.06Å; E269-R313 IonicContact OE1-NH1 2.74Å; E269-R313 PolarHBondContact OE1-NH1 3.17Å; E269-R313 IonicContact OE1-NH2 2.88Å; E269-R313 PolarHBondContact OE1-NH2 2.85Å; E269-R313 IonicContact OE2-CZ 3.17Å; E269-R313 IonicContact OE2-NH1 3.81Å; E269-R313 PolarHBondContact OE2-NH1 3.04Å; E269-R313 IonicContact OE2-NH2 3.95Å; E269-R313 PolarHBondContact OE2-NH2 2.75Å; E269-L314 HydrophobicContact CG-CD2 4.19Å
270	D	98.4	Very high	98.1	Very high	126 Å²	126	33 Å²	33	67%	0.674	18%	0.177	S	C	*	.	H	α-helix	trans	-59.5	-36.7	178	-67	-27.3	0	0	0	111.5	T268 T274	T268-D270 VanDerWaalsContact C-N 3.32Å; T268-D270 PolarHBondContact O-N 3.37Å; D270-T274 WeakPolarHBondContact O-CB 3.29Å; D270-T274 PolarHBondContact O-N 3.42Å; D270-T274 PolarHBondContact O-OG1 3.24Å
271	E	98.7	Very high	98.2	Very high	41 Å²	41	38.3 Å²	38.3	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-42.1	174.8	-68.7	175.6	139.7	0	0	112	V224 R226 E267 T268 E269 T274 T275	V224-E271 HydrophobicContact CB-CB 3.95Å; V224-E271 HydrophobicContact CG1-CB 3.78Å; V224-E271 HydrophobicContact CG2-CB 4.06Å; R226-E271 IonicContact CZ-OE1 3.39Å; R226-E271 IonicContact CZ-OE2 3.63Å; R226-E271 IonicContact NE-OE1 2.66Å; R226-E271 PolarHBondContact NE-OE1 3.36Å; R226-E271 IonicContact NE-OE2 3.69Å; R226-E271 IonicContact NH2-OE1 3.28Å; R226-E271 PolarHBondContact NH2-OE1 2.76Å; R226-E271 IonicContact NH2-OE2 2.73Å; R226-E271 PolarHBondContact NH2-OE2 3.39Å; E267-E271 WeakPolarHBondContact CA-OE2 3.3Å; T268-E271 PolarHBondContact N-OE2 3.34Å; T268-E271 WeakPolarHBondContact O-CB 3.41Å; T268-E271 PolarHBondContact O-N 3.5Å; T268-E271 VanDerWaalsContact OG1-CG 3.29Å; T268-E271 WeakPolarHBondContact OG1-CG 3.24Å; T268-E271 PolarHBondContact OG1-N 3.14Å; E269-E271 PolarHBondContact O-N 3.06Å; E271-T274 PolarHBondContact O-N 3.18Å; E271-T275 PolarHBondContact O-N 3.43Å; E271-T275 PolarHBondContact O-OG1 3.34Å
272	I	98.7	Very high	98.2	Very high	8 Å²	8	40 Å²	40	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-49.7	174.4	-62.9	163.6	0	0	0	109.5	V224 L263 E267 T268 E269 T274 T275 M276 L314	V224-I272 HydrophobicContact CG1-CG1 4.34Å; L263-I272 HydrophobicContact CD1-CD1 4.26Å; L263-I272 HydrophobicContact CD2-CD1 3.58Å; L263-I272 HydrophobicContact CD2-CG1 3.87Å; L263-I272 HydrophobicContact CD2-CG2 4.46Å; E267-I272 HydrophobicContact CB-CG1 4.29Å; E267-I272 HydrophobicContact CG-CD1 3.63Å; E267-I272 HydrophobicContact CG-CG1 3.54Å; T268-I272 WeakPolarHBondContact O-CG1 3.41Å; T268-I272 PolarHBondContact O-N 2.78Å; E269-I272 WeakPolarHBondContact O-CB 3.45Å; E269-I272 PolarHBondContact O-N 3.27Å; E269-I272 VanDerWaalsContact O-N 3.08Å; I272-T274 VanDerWaalsContact C-N 3.29Å; I272-T274 PolarHBondContact O-N 3.21Å; I272-T275 PolarHBondContact O-N 3.07Å; I272-M276 HydrophobicContact CG2-CG 4.38Å; I272-M276 HydrophobicContact CG2-SD 3.9Å; I272-M276 VanDerWaalsContact O-CG 3.23Å; I272-M276 WeakPolarHBondContact O-CG 3.26Å; I272-M276 PolarHBondContact O-N 3.44Å; I272-L314 HydrophobicContact CB-CD2 4.44Å; I272-L314 HydrophobicContact CD1-CD1 4.14Å; I272-L314 HydrophobicContact CG2-CD1 4.38Å; I272-L314 HydrophobicContact CG2-CD2 3.87Å
273	V	98.6	Very high	98.2	Very high	23 Å²	23	42.7 Å²	42.7	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-36.5	-179.5	175.2	0	0	0	0	111.3	E269 M276 K277 I317	E269-V273 HydrophobicContact CG-CG2 4.19Å; E269-V273 WeakPolarHBondContact O-CG2 3.3Å; E269-V273 PolarHBondContact O-N 3.2Å; V273-M276 WeakPolarHBondContact O-CB 3.16Å; V273-M276 PolarHBondContact O-N 3.38Å; V273-K277 WeakPolarHBondContact O-CG 3.49Å; V273-K277 PolarHBondContact O-N 2.83Å; V273-I317 HydrophobicContact CG1-CG2 4.28Å; V273-I317 HydrophobicContact CG2-CD1 4Å; V273-I317 HydrophobicContact CG2-CG2 4.14Å
274	T	98.8	Very high	98.2	Very high	71 Å²	71	42.7 Å²	42.7	44%	0.436	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-48.8	173.1	-59.4	0	0	0	0	110.7	D270 E271 I272 M276 K277 D278	D270-T274 WeakPolarHBondContact O-CB 3.29Å; D270-T274 PolarHBondContact O-N 3.42Å; D270-T274 PolarHBondContact O-OG1 3.24Å; E271-T274 PolarHBondContact O-N 3.18Å; I272-T274 VanDerWaalsContact C-N 3.29Å; I272-T274 PolarHBondContact O-N 3.21Å; T274-M276 VanDerWaalsContact C-N 3.26Å; T274-M276 PolarHBondContact O-N 2.72Å; T274-K277 WeakPolarHBondContact O-CB 3.12Å; T274-K277 PolarHBondContact O-N 3.21Å; T274-D278 PolarHBondContact O-N 3.2Å
275	T	98.8	Very high	98.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-33.8	175.7	-64.4	0	0	0	0	112.8	V221 Y238 M242 I261 E271 I272 D278 L279	V221-T275 HydrophobicContact CG2-CG2 4.03Å; Y238-T275 HydrophobicContact CE2-CG2 4.01Å; Y238-T275 WeakPolarHBondContact OH-CA 3.32Å; Y238-T275 WeakPolarHBondContact OH-CB 3.47Å; Y238-T275 WeakPolarHBondContact OH-CG2 3.46Å; Y238-T275 PolarHBondContact OH-OG1 3.43Å; M242-T275 HydrophobicContact CE-CG2 4.22Å; I261-T275 HydrophobicContact CD1-CG2 3.55Å; I261-T275 HydrophobicContact CG1-CG2 4.23Å; E271-T275 PolarHBondContact O-N 3.43Å; E271-T275 PolarHBondContact O-OG1 3.34Å; I272-T275 PolarHBondContact O-N 3.07Å; T275-D278 PolarHBondContact O-N 3.04Å; T275-L279 HydrophobicContact CG2-CD1 4.44Å; T275-L279 VanDerWaalsContact O-CG 3.3Å; T275-L279 WeakPolarHBondContact O-CG 3.46Å; T275-L279 PolarHBondContact O-N 3.5Å
276	M	98.8	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-39.8	173.4	-67.8	171.2	68.6	0	0	112.3	I261 I272 V273 T274 R280 L287 L289 I317 L321 F323	I261-M276 HydrophobicContact CD1-CG 4.38Å; I272-M276 HydrophobicContact CG2-CG 4.38Å; I272-M276 HydrophobicContact CG2-SD 3.9Å; I272-M276 VanDerWaalsContact O-CG 3.23Å; I272-M276 WeakPolarHBondContact O-CG 3.26Å; I272-M276 PolarHBondContact O-N 3.44Å; V273-M276 WeakPolarHBondContact O-CB 3.16Å; V273-M276 PolarHBondContact O-N 3.38Å; T274-M276 VanDerWaalsContact C-N 3.26Å; T274-M276 PolarHBondContact O-N 2.72Å; M276-R280 WeakPolarHBondContact O-CG 3.35Å; M276-R280 PolarHBondContact O-N 2.63Å; M276-L287 HydrophobicContact CE-CD2 3.81Å; M276-L287 HydrophobicContact CG-CD2 3.66Å; M276-L287 HydrophobicContact SD-CD2 4.22Å; M276-L289 HydrophobicContact SD-CD1 4.45Å; M276-I317 HydrophobicContact CE-CB 4.35Å; M276-I317 HydrophobicContact CE-CG2 4.11Å; M276-L321 HydrophobicContact CB-CD1 3.62Å; M276-L321 HydrophobicContact CE-CD1 4.19Å; M276-F323 HydrophobicContact CB-CE2 4.2Å; M276-F323 HydrophobicContact CE-CE2 4.42Å; M276-F323 WeakPolarHBondContact O-CZ 3.36Å
277	K	98.7	Very high	98	Very high	103 Å²	103	41.1 Å²	41.1	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-47.3	174.1	-70.3	170	179.9	176.1	0	110.9	V273 T274 L279 R280 D281 L321	V273-K277 WeakPolarHBondContact O-CG 3.49Å; V273-K277 PolarHBondContact O-N 2.83Å; T274-K277 WeakPolarHBondContact O-CB 3.12Å; T274-K277 PolarHBondContact O-N 3.21Å; K277-L279 VanDerWaalsContact C-N 3.29Å; K277-L279 PolarHBondContact O-N 3.13Å; K277-R280 CarbonylContact O-C 3.51Å; K277-R280 WeakPolarHBondContact O-CA 3.2Å; K277-R280 WeakPolarHBondContact O-CB 3.4Å; K277-R280 PolarHBondContact O-N 3.41Å; K277-D281 PolarHBondContact O-N 3.15Å; K277-L321 HydrophobicContact CG-CD1 4.22Å; K277-L321 HydrophobicContact CG-CD2 3.98Å
278	D	98.8	Very high	97.9	Very high	40 Å²	40	40.6 Å²	40.6	21%	0.214	21%	0.209	C	C	.	.	H	α-helix	trans	-56	-44.9	177.4	-62.4	-16.1	0	0	0	111.1	Y238 M242 T274 T275 R280 D281 H282	Y238-D278 WeakPolarHBondContact CE1-OD2 3.44Å; Y238-D278 PolarHBondContact OH-OD2 3.23Å; M242-D278 HydrophobicContact CE-CB 3.74Å; T274-D278 PolarHBondContact O-N 3.2Å; T275-D278 PolarHBondContact O-N 3.04Å; D278-R280 VanDerWaalsContact C-N 3.3Å; D278-R280 PolarHBondContact O-N 2.91Å; D278-D281 PolarHBondContact O-N 2.89Å; D278-H282 PolarHBondContact O-N 3.33Å; D278-H282 VanDerWaalsContact O-N 3.07Å; D278-H282 PolarHBondContact O-ND1 3.25Å
279	L	98.7	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-39.9	175.5	-75.9	170.2	0	0	0	112.4	V221 M242 L245 I261 T275 K277 H282 D283 V284 L287 F323	V221-L279 HydrophobicContact CG1-CD2 3.93Å; V221-L279 HydrophobicContact CG2-CD1 4.42Å; M242-L279 HydrophobicContact CE-CD2 4.02Å; M242-L279 HydrophobicContact CE-CG 4Å; M242-L279 HydrophobicContact SD-CD2 3.6Å; M242-L279 VanDerWaalsContact SD-CD2 3.6Å; M242-L279 HydrophobicContact SD-CG 4.11Å; L245-L279 HydrophobicContact CD1-CD2 4.02Å; I261-L279 HydrophobicContact CD1-CD1 4.35Å; T275-L279 HydrophobicContact CG2-CD1 4.44Å; T275-L279 VanDerWaalsContact O-CG 3.3Å; T275-L279 WeakPolarHBondContact O-CG 3.46Å; T275-L279 PolarHBondContact O-N 3.5Å; K277-L279 VanDerWaalsContact C-N 3.29Å; K277-L279 PolarHBondContact O-N 3.13Å; L279-H282 CarbonylContact O-C 3.48Å; L279-H282 PolarHBondContact O-N 3.4Å; L279-D283 PolarHBondContact O-N 3.35Å; L279-V284 HydrophobicContact CB-CB 4.13Å; L279-V284 HydrophobicContact CB-CG2 4.29Å; L279-V284 HydrophobicContact CD2-CB 4.26Å; L279-V284 HydrophobicContact CD2-CG1 4.32Å; L279-V284 HydrophobicContact CD2-CG2 3.82Å; L279-V284 WeakPolarHBondContact O-CB 3.32Å; L279-V284 VanDerWaalsContact O-CG2 3.23Å; L279-V284 WeakPolarHBondContact O-CG2 3.39Å; L279-V284 PolarHBondContact O-N 3.09Å; L279-L287 HydrophobicContact CD1-CD1 3.73Å; L279-F323 HydrophobicContact CB-CE1 4.13Å; L279-F323 HydrophobicContact CB-CZ 3.83Å; L279-F323 HydrophobicContact CD1-CZ 4.39Å
280	R	98.4	Very high	97.7	Very high	57 Å²	57	34.5 Å²	34.5	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-71.5	-37.1	176.8	-69.9	-55.8	-55.2	146.8	8.5	112.7	M276 K277 D278 H282 D283 V284 L321 G322 F323	M276-R280 WeakPolarHBondContact O-CG 3.35Å; M276-R280 PolarHBondContact O-N 2.63Å; K277-R280 CarbonylContact O-C 3.51Å; K277-R280 WeakPolarHBondContact O-CA 3.2Å; K277-R280 WeakPolarHBondContact O-CB 3.4Å; K277-R280 PolarHBondContact O-N 3.41Å; D278-R280 VanDerWaalsContact C-N 3.3Å; D278-R280 PolarHBondContact O-N 2.91Å; R280-H282 PolarHBondContact O-N 3.5Å; R280-D283 PolarHBondContact O-N 2.88Å; R280-V284 PolarHBondContact NH1-O 2.8Å; R280-L321 HydrophobicContact CG-CB 4.17Å; R280-L321 PolarHBondContact NE-O 3.08Å; R280-G322 VanDerWaalsContact CZ-O 3.26Å; R280-G322 PolarHBondContact NE-O 2.64Å; R280-G322 PolarHBondContact NH2-O 2.62Å; R280-F323 VanDerWaalsContact CD-CD1 3.47Å; R280-F323 VanDerWaalsContact CD-CE1 3.4Å; R280-F323 VanDerWaalsContact CD-CZ 3.49Å; R280-F323 HydrophobicContact CG-CD1 4.44Å; R280-F323 HydrophobicContact CG-CD2 4.04Å; R280-F323 HydrophobicContact CG-CE1 4.01Å; R280-F323 HydrophobicContact CG-CE2 3.57Å; R280-F323 HydrophobicContact CG-CG 4.46Å; R280-F323 HydrophobicContact CG-CZ 3.55Å
281	D	98.3	Very high	97.6	Very high	117 Å²	117	28.7 Å²	28.7	63%	0.626	15%	0.146	S	C	*	.	H	α-helix	trans	-64	-22	174.3	-66.4	-17.2	0	0	0	111.8	K277 D278	K277-D281 PolarHBondContact O-N 3.15Å; D278-D281 PolarHBondContact O-N 2.89Å
282	H	98.4	Very high	97.5	Very high	36 Å²	36	27 Å²	27	17%	0.167	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	17.5	172.5	-67.2	82.9	0	0	0	113.4	H243 Q246 D278 L279 R280 V284	H243-H282 AromaticContact CD2-NE2 3.86Å; Q246-H282 WeakPolarHBondContact CA-O 3.11Å; Q246-H282 HydrophobicContact CB-CB 4.01Å; Q246-H282 HydrophobicContact CG-CB 4.3Å; Q246-H282 PolarHBondContact OE1-CD2 2.78Å; D278-H282 PolarHBondContact O-N 3.33Å; D278-H282 VanDerWaalsContact O-N 3.07Å; D278-H282 PolarHBondContact O-ND1 3.25Å; L279-H282 CarbonylContact O-C 3.48Å; L279-H282 PolarHBondContact O-N 3.4Å; R280-H282 PolarHBondContact O-N 3.5Å; H282-V284 VanDerWaalsContact C-N 3.31Å; H282-V284 PolarHBondContact O-N 3.22Å
283	D	97.4	Very high	97.1	Very high	83 Å²	83	29 Å²	29	44%	0.444	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	33.6	177.6	-68.9	-48.8	0	0	0	115.2	K249 T257 L279 R280 D285	K249-D283 HydrophobicContact CB-CB 4.46Å; K249-D283 HydrophobicContact CG-CB 3.76Å; T257-D283 PolarHBondContact OG1-O 3.44Å; L279-D283 PolarHBondContact O-N 3.35Å; R280-D283 PolarHBondContact O-N 2.88Å; D283-D285 PolarHBondContact O-N 3.45Å
284	V	98	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.			trans	-75.5	115.1	177	179.8	0	0	0	0	111.3	L245 T257 L279 R280 H282 F323	L245-V284 HydrophobicContact CB-CG2 3.82Å; L245-V284 HydrophobicContact CD1-CG2 3.77Å; L245-V284 HydrophobicContact CG-CG2 4.3Å; T257-V284 VanDerWaalsContact OG1-CA 3.29Å; T257-V284 WeakPolarHBondContact OG1-CA 3.41Å; L279-V284 HydrophobicContact CB-CB 4.13Å; L279-V284 HydrophobicContact CB-CG2 4.29Å; L279-V284 HydrophobicContact CD2-CB 4.26Å; L279-V284 HydrophobicContact CD2-CG1 4.32Å; L279-V284 HydrophobicContact CD2-CG2 3.82Å; L279-V284 WeakPolarHBondContact O-CB 3.32Å; L279-V284 VanDerWaalsContact O-CG2 3.23Å; L279-V284 WeakPolarHBondContact O-CG2 3.39Å; L279-V284 PolarHBondContact O-N 3.09Å; R280-V284 PolarHBondContact NH1-O 2.8Å; H282-V284 VanDerWaalsContact C-N 3.31Å; H282-V284 PolarHBondContact O-N 3.22Å; V284-F323 HydrophobicContact CB-CE1 4.42Å; V284-F323 HydrophobicContact CG1-CE1 4.39Å; V284-F323 VanDerWaalsContact O-CD1 3.27Å; V284-F323 WeakPolarHBondContact O-CD1 3.22Å; V284-F323 VanDerWaalsContact O-CE1 3.31Å; V284-F323 WeakPolarHBondContact O-CE1 3.36Å
285	D	96.2	Very high	96.3	Very high	11 Å²	11	27.2 Å²	27.2	6%	0.059	14%	0.136	C	C	.	.			trans	-68.5	-41.7	-172.5	-64.6	-72.6	0	0	0	113.5	K249 I255 V256 T257 D283 F323 L324 R350	K249-D285 VanDerWaalsContact NZ-CG 3.25Å; K249-D285 IonicContact NZ-OD1 3.75Å; K249-D285 PolarHBondContact NZ-OD1 3.3Å; K249-D285 IonicContact NZ-OD2 3.32Å; K249-D285 PolarHBondContact NZ-OD2 3.06Å; I255-D285 VanDerWaalsContact O-OD2 3.11Å; V256-D285 VanDerWaalsContact CA-OD2 3.31Å; V256-D285 WeakPolarHBondContact CA-OD2 3.28Å; V256-D285 HydrophobicContact CG1-CB 4.12Å; T257-D285 PolarHBondContact N-OD2 2.94Å; T257-D285 WeakPolarHBondContact O-CB 3.47Å; T257-D285 PolarHBondContact O-N 2.91Å; T257-D285 PolarHBondContact OG1-N 3.17Å; T257-D285 PolarHBondContact OG1-OD2 3.36Å; D283-D285 PolarHBondContact O-N 3.45Å; D285-F323 CarbonylContact O-C 3.56Å; D285-F323 WeakPolarHBondContact O-CA 3.42Å; D285-L324 HydrophobicContact CB-CD1 3.81Å; D285-L324 HydrophobicContact CB-CG 4.06Å; D285-L324 PolarHBondContact O-N 3.33Å; D285-L324 WeakPolarHBondContact OD1-CD1 3.25Å; D285-R350 IonicContact OD1-NH2 3.36Å; D285-R350 PolarHBondContact OD1-NH2 3.27Å; D285-R350 IonicContact OD2-NH1 3.5Å; D285-R350 IonicContact OD2-NH2 2.65Å
286	C	95.4	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.9	-169.7	-60	0	0	0	0	112.8	T257 K258 S259 Y325 L343	T257-C286 PolarHBondContact O-N 3.19Å; K258-C286 WeakPolarHBondContact CA-O 3.4Å; K258-C286 HydrophobicContact CB-CB 4.03Å; K258-C286 HydrophobicContact CG-CB 3.94Å; S259-C286 PolarHBondContact N-O 3.25Å; C286-Y325 WeakPolarHBondContact CA-O 3.47Å; C286-L343 VanDerWaalsContact SG-CD2 3.6Å
287	L	95.8	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.8	-179.8	176.7	63.4	0	0	0	111.7	I261 M276 L279 L289 F323 Y325 T326 A327	I261-L287 HydrophobicContact CD1-CD1 4.16Å; I261-L287 HydrophobicContact CG1-CD1 4.05Å; M276-L287 HydrophobicContact CE-CD2 3.81Å; M276-L287 HydrophobicContact CG-CD2 3.66Å; M276-L287 HydrophobicContact SD-CD2 4.22Å; L279-L287 HydrophobicContact CD1-CD1 3.73Å; L287-L289 HydrophobicContact CD1-CD2 4.18Å; L287-L289 HydrophobicContact CD2-CD1 4.31Å; L287-L289 HydrophobicContact CD2-CD2 4.1Å; L287-L289 HydrophobicContact CD2-CG 4.16Å; L287-L289 HydrophobicContact CG-CD2 4.19Å; L287-L289 HydrophobicContact CG-CG 4.16Å; L287-F323 HydrophobicContact CB-CD1 3.82Å; L287-F323 HydrophobicContact CB-CD2 4.31Å; L287-F323 HydrophobicContact CB-CE1 3.79Å; L287-F323 HydrophobicContact CB-CE2 4.29Å; L287-F323 HydrophobicContact CB-CG 4.1Å; L287-F323 HydrophobicContact CB-CZ 4.03Å; L287-F323 HydrophobicContact CD2-CD2 4.31Å; L287-F323 HydrophobicContact CD2-CE2 3.81Å; L287-F323 HydrophobicContact CD2-CZ 3.94Å; L287-Y325 PolarHBondContact N-O 3.01Å; L287-T326 HydrophobicContact CD2-CG2 4.39Å; L287-T326 WeakPolarHBondContact O-CA 3.38Å; L287-A327 PolarHBondContact O-N 3.46Å
288	T	95.6	Very high	94.9	Very high	3 Å²	3	45 Å²	45	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.5	169.3	58	0	0	0	0	111.2	S259 S260 I261 A327 V332	S259-T288 PolarHBondContact O-N 3.36Å; S259-T288 PolarHBondContact O-OG1 2.83Å; S260-T288 CarbonylContact C-O 3.59Å; S260-T288 VanDerWaalsContact CA-O 3.26Å; S260-T288 WeakPolarHBondContact CA-O 3.14Å; S260-T288 WeakPolarHBondContact CA-OG1 3.48Å; S260-T288 WeakPolarHBondContact CB-OG1 3.39Å; S260-T288 PolarHBondContact OG-OG1 3.25Å; S260-T288 VanDerWaalsContact OG-OG1 3.12Å; I261-T288 PolarHBondContact N-O 3.07Å; T288-A327 CarbonylContact C-O 3.22Å; T288-A327 VanDerWaalsContact CA-O 3.29Å; T288-A327 WeakPolarHBondContact CA-O 3.38Å; T288-A327 HydrophobicContact CG2-CB 3.87Å; T288-V332 HydrophobicContact CG2-CG1 4.4Å
289	L	96.9	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.9	179.9	-60.2	173.2	0	0	0	108.4	I261 L263 M276 L287 F311 L314 A327 S328 G329 V332	I261-L289 HydrophobicContact CB-CD2 3.69Å; I261-L289 HydrophobicContact CD1-CD2 3.87Å; I261-L289 HydrophobicContact CG1-CD2 4.02Å; I261-L289 WeakPolarHBondContact O-CA 2.98Å; L263-L289 HydrophobicContact CD1-CB 4.45Å; M276-L289 HydrophobicContact SD-CD1 4.45Å; L287-L289 HydrophobicContact CD1-CD2 4.18Å; L287-L289 HydrophobicContact CD2-CD1 4.31Å; L287-L289 HydrophobicContact CD2-CD2 4.1Å; L287-L289 HydrophobicContact CD2-CG 4.16Å; L287-L289 HydrophobicContact CG-CD2 4.19Å; L287-L289 HydrophobicContact CG-CG 4.16Å; L289-F311 HydrophobicContact CB-CD1 4.48Å; L289-L314 HydrophobicContact CD1-CB 3.66Å; L289-L314 HydrophobicContact CD1-CD1 4.33Å; L289-A327 PolarHBondContact N-O 3.05Å; L289-S328 WeakPolarHBondContact O-CA 3.35Å; L289-G329 PolarHBondContact O-N 2.6Å; L289-G329 VanDerWaalsContact O-N 3.08Å; L289-V332 WeakPolarHBondContact O-CB 3.46Å
290	G	95.3	Very high	94.5	Very high	4 Å²	4	47 Å²	47	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.8	-172.9	0	0	0	0	0	113.4	I261 M262 L263 Y292 V332	I261-G290 PolarHBondContact O-N 2.94Å; M262-G290 CarbonylContact C-O 3.56Å; M262-G290 WeakPolarHBondContact CA-O 3.48Å; L263-G290 PolarHBondContact N-O 2.95Å; G290-Y292 PolarHBondContact O-N 2.88Å; G290-V332 VanDerWaalsContact CA-O 3.32Å; G290-V332 WeakPolarHBondContact CA-O 3.27Å
291	Q	96	Very high	94.3	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	124.8	174.8	178.7	67.4	57.4	0	0	110.5	L59 L263 M293 E304 F305 F311 P330 R333	L59-Q291 HydrophobicContact CD1-CG 3.79Å; L59-Q291 HydrophobicContact CD2-CB 4.01Å; L59-Q291 HydrophobicContact CD2-CG 4.03Å; L263-Q291 PolarHBondContact O-NE2 3.42Å; Q291-M293 HydrophobicContact CG-SD 4Å; Q291-M293 PolarHBondContact O-N 3.36Å; Q291-E304 PolarHBondContact NE2-O 3.28Å; Q291-F305 HydrophobicContact CG-CD1 4.24Å; Q291-F311 HydrophobicContact CB-CZ 4.06Å; Q291-P330 WeakPolarHBondContact CB-O 3.42Å; Q291-P330 PolarHBondContact N-O 3.08Å; Q291-R333 PolarHBondContact O-NH1 2.86Å
292	Y	95.2	Very high	94.2	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.024	20%	0.197	C	C	.	.			trans	-61.8	127.3	164.2	171.5	-117.8	0	0	0	109.8	F122 M262 L263 L265 G290 Q294 L300 V302	F122-Y292 HydrophobicContact CB-CD2 4.29Å; F122-Y292 HydrophobicContact CB-CE2 3.68Å; M262-Y292 HydrophobicContact SD-CD2 4Å; L263-Y292 WeakPolarHBondContact O-CB 3.37Å; L263-Y292 PolarHBondContact O-N 3.1Å; L265-Y292 HydrophobicContact CD2-CD1 3.38Å; L265-Y292 HydrophobicContact CD2-CD2 4.48Å; L265-Y292 HydrophobicContact CD2-CE1 3.63Å; L265-Y292 HydrophobicContact CD2-CG 3.84Å; L265-Y292 HydrophobicContact CG-CD1 4.04Å; L265-Y292 HydrophobicContact CG-CG 4.14Å; G290-Y292 PolarHBondContact O-N 2.88Å; Y292-Q294 HydrophobicContact CE1-CB 4.34Å; Y292-L300 HydrophobicContact CE1-CB 4.22Å; Y292-L300 VanDerWaalsContact CE1-O 3.22Å; Y292-L300 WeakPolarHBondContact CE1-O 3.5Å; Y292-L300 PolarHBondContact OH-O 3.21Å; Y292-V302 HydrophobicContact CD1-CG2 3.99Å; Y292-V302 HydrophobicContact CE1-CG2 4.17Å
293	M	90.7	Very high	94.1	Very high	50 Å²	50	45 Å²	45	25%	0.246	21%	0.21	C	C	.	.			trans	-117	115.3	177.4	-67.7	-63.4	-74.1	0	0	108.7	L55 L59 Q291 P295 F305	L55-M293 HydrophobicContact CD1-CE 3.37Å; L55-M293 HydrophobicContact CD1-SD 4.15Å; L55-M293 HydrophobicContact CD2-CE 4.37Å; L59-M293 HydrophobicContact CD1-SD 3.98Å; L59-M293 HydrophobicContact CD2-SD 4.28Å; Q291-M293 HydrophobicContact CG-SD 4Å; Q291-M293 PolarHBondContact O-N 3.36Å; M293-P295 WeakPolarHBondContact O-CD 3.33Å; M293-P295 VanDerWaalsContact O-N 3.17Å; M293-F305 HydrophobicContact SD-CE1 4.34Å
294	Q	91.3	Very high	94	Very high	23 Å²	23	43.3 Å²	43.3	11%	0.107	20%	0.199	C	C	.	.			trans	-60.1	116.5	179.7	-177.9	-174.2	34	0	0	111.1	Y292 T296 H299 L300 V302	Y292-Q294 HydrophobicContact CE1-CB 4.34Å; Q294-T296 VanDerWaalsContact CG-O 3.25Å; Q294-T296 WeakPolarHBondContact CG-O 3.44Å; Q294-T296 PolarHBondContact NE2-O 2.93Å; Q294-H299 HydrophobicContact CG-CB 4.38Å; Q294-H299 PolarHBondContact NE2-O 3.01Å; Q294-L300 WeakPolarHBondContact CG-O 3.49Å; Q294-V302 HydrophobicContact CB-CG2 4.04Å
295	P	88.6	Confident	93.9	Very high	33 Å²	33	43.7 Å²	43.7	21%	0.214	20%	0.201	C	C	.	.			trans	-71.8	-41.2	-176.3	-21.5	34	0	0	0	113.6	M293	M293-P295 WeakPolarHBondContact O-CD 3.33Å; M293-P295 VanDerWaalsContact O-N 3.17Å
296	T	89.1	Confident	93.9	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.301	20%	0.2	S	C	.	.	S	Bend	trans	-147.7	166.7	178.3	83.8	0	0	0	0	110.6	Q294 R298 H299	Q294-T296 VanDerWaalsContact CG-O 3.25Å; Q294-T296 WeakPolarHBondContact CG-O 3.44Å; Q294-T296 PolarHBondContact NE2-O 2.93Å; T296-R298 PolarHBondContact O-N 2.71Å; T296-R298 PolarHBondContact OG1-N 3.46Å; T296-H299 PolarHBondContact N-ND1 3.26Å; T296-H299 PolarHBondContact O-N 2.99Å; T296-H299 VanDerWaalsContact O-N 3.08Å; T296-H299 PolarHBondContact OG1-CE1 3.32Å; T296-H299 PolarHBondContact OG1-ND1 2.92Å
297	K	88.9	Confident	93.9	Very high	190 Å²	190	44.8 Å²	44.8	83%	0.826	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.8	177.9	-63	-175.4	179.5	-177.6	0	114.9
298	R	90.2	Very high	93.9	Very high	240 Å²	240	45.5 Å²	45.5	91%	0.906	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-14.8	179.2	-62.2	-177.8	-178.5	174.9	-0.5	113.4	T296	T296-R298 PolarHBondContact O-N 2.71Å; T296-R298 PolarHBondContact OG1-N 3.46Å
299	H	94	Very high	94	Very high	37 Å²	37	49.3 Å²	49.3	17%	0.171	23%	0.23	C	C	.	.	S	Bend	trans	-92.2	167.3	-179.2	-59	89.5	0	0	0	110.8	R121 C123 S124 Q294 T296 L301	R121-H299 WeakPolarHBondContact O-CA 3.36Å; R121-H299 WeakPolarHBondContact O-CB 3.46Å; C123-H299 PolarHBondContact O-CD2 3.22Å; C123-H299 VanDerWaalsContact O-CD2 3.25Å; C123-H299 PolarHBondContact O-NE2 3.26Å; S124-H299 WeakPolarHBondContact CA-NE2 2.97Å; Q294-H299 HydrophobicContact CG-CB 4.38Å; Q294-H299 PolarHBondContact NE2-O 3.01Å; T296-H299 PolarHBondContact N-ND1 3.26Å; T296-H299 PolarHBondContact O-N 2.99Å; T296-H299 VanDerWaalsContact O-N 3.08Å; T296-H299 PolarHBondContact OG1-CE1 3.32Å; T296-H299 PolarHBondContact OG1-ND1 2.92Å; H299-L301 PolarHBondContact O-N 3.05Å
300	L	95.1	Very high	94	Very high	44 Å²	44	51.1 Å²	51.1	23%	0.23	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-48.1	138.7	178.3	-63.9	177.2	0	0	0	112	R121 F122 V231 L265 Y292 Q294	R121-L300 HydrophobicContact CB-CD1 3.96Å; R121-L300 HydrophobicContact CB-CD2 3.95Å; R121-L300 HydrophobicContact CB-CG 3.72Å; R121-L300 PolarHBondContact O-N 2.96Å; F122-L300 HydrophobicContact CB-CD1 4.43Å; V231-L300 HydrophobicContact CB-CD1 4.2Å; V231-L300 HydrophobicContact CG1-CD1 4.23Å; V231-L300 HydrophobicContact CG2-CD1 3.85Å; L265-L300 HydrophobicContact CD2-CB 4.2Å; L265-L300 HydrophobicContact CD2-CD1 4.01Å; Y292-L300 HydrophobicContact CE1-CB 4.22Å; Y292-L300 VanDerWaalsContact CE1-O 3.22Å; Y292-L300 WeakPolarHBondContact CE1-O 3.5Å; Y292-L300 PolarHBondContact OH-O 3.21Å; Q294-L300 WeakPolarHBondContact CG-O 3.49Å
301	L	94.9	Very high	94.1	Very high	56 Å²	56	51 Å²	51	29%	0.293	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-70.3	143.9	174.4	-57.5	-177.1	0	0	0	109.7	L46 S51 H299 K303	L46-L301 HydrophobicContact CD2-CB 3.85Å; L46-L301 HydrophobicContact CD2-CD1 3.65Å; L46-L301 HydrophobicContact CD2-CG 4.39Å; S51-L301 WeakPolarHBondContact O-CD2 3.45Å; H299-L301 PolarHBondContact O-N 3.05Å; L301-K303 PolarHBondContact O-N 2.85Å
302	V	95.4	Very high	94.1	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.067	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67.1	117.2	164.6	-176.8	0	0	0	0	107.5	L53 Y292 Q294 E304 F305	L53-V302 HydrophobicContact CD1-CG1 4.4Å; Y292-V302 HydrophobicContact CD1-CG2 3.99Å; Y292-V302 HydrophobicContact CE1-CG2 4.17Å; Q294-V302 HydrophobicContact CB-CG2 4.04Å; V302-E304 VanDerWaalsContact CG1-O 3.24Å; V302-E304 WeakPolarHBondContact CG1-O 3.5Å; V302-F305 HydrophobicContact CB-CE1 4.42Å; V302-F305 HydrophobicContact CG1-CD1 3.9Å; V302-F305 HydrophobicContact CG1-CE1 3.81Å; V302-F305 HydrophobicContact CG1-CG 4.39Å; V302-F305 HydrophobicContact CG1-CZ 4.23Å; V302-F305 HydrophobicContact CG2-CE1 4.33Å
303	K	95.9	Very high	94.2	Very high	101 Å²	101	60.4 Å²	60.4	44%	0.439	28%	0.279	S	S	.	.			trans	-81.3	-33.6	176.4	-66.1	-59.7	-171.5	173.2	0	111.9	K45 L46 G264 L265 L301	K45-K303 WeakPolarHBondContact CA-O 3.44Å; L46-K303 HydrophobicContact CD2-CD 4.2Å; L46-K303 PolarHBondContact N-O 2.93Å; G264-K303 PolarHBondContact O-N 2.97Å; L265-K303 WeakPolarHBondContact O-CG 3.23Å; L301-K303 PolarHBondContact O-N 2.85Å
304	E	95.8	Very high	94.6	Very high	48 Å²	48	58 Å²	58	22%	0.224	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-147.4	136.4	179.1	-178.5	166.3	-169	0	0	111.6	L44 K45 G264 Q291 V302 V306	L44-E304 CarbonylContact O-C 3.49Å; L44-E304 WeakPolarHBondContact O-CA 3.46Å; K45-E304 WeakPolarHBondContact CE-OE1 3.37Å; K45-E304 WeakPolarHBondContact CE-OE2 3.43Å; K45-E304 HydrophobicContact CG-CB 4.31Å; K45-E304 HydrophobicContact CG-CG 4Å; K45-E304 IonicContact NZ-OE1 3.63Å; K45-E304 IonicContact NZ-OE2 2.99Å; G264-E304 WeakPolarHBondContact CA-O 3.2Å; G264-E304 PolarHBondContact O-N 3.47Å; Q291-E304 PolarHBondContact NE2-O 3.28Å; V302-E304 VanDerWaalsContact CG1-O 3.24Å; V302-E304 WeakPolarHBondContact CG1-O 3.5Å; E304-V306 HydrophobicContact CG-CG2 4.36Å
305	F	96.4	Very high	94.9	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.035	28%	0.276	C	S	.	.			trans	-88.8	103.6	161.5	-73.7	-55.5	0	0	0	109.1	L44 L53 H54 L55 P56 L59 Q291 M293 V302	L44-F305 HydrophobicContact CD2-CB 3.99Å; L44-F305 PolarHBondContact O-N 3.11Å; L53-F305 HydrophobicContact CB-CD2 3.79Å; L53-F305 HydrophobicContact CB-CE2 3.32Å; L53-F305 HydrophobicContact CB-CZ 4.24Å; L53-F305 HydrophobicContact CD1-CD2 3.92Å; L53-F305 HydrophobicContact CD1-CE2 4.17Å; L53-F305 HydrophobicContact CG-CD2 4.48Å; L53-F305 HydrophobicContact CG-CE2 4.39Å; H54-F305 WeakPolarHBondContact O-CE2 3.23Å; L55-F305 HydrophobicContact CD1-CE1 3.98Å; L55-F305 HydrophobicContact CD1-CZ 3.9Å; P56-F305 VanDerWaalsContact CD-CD2 3.45Å; P56-F305 HydrophobicContact CG-CB 4.03Å; P56-F305 HydrophobicContact CG-CD1 4.26Å; P56-F305 HydrophobicContact CG-CD2 4.1Å; P56-F305 HydrophobicContact CG-CG 3.89Å; L59-F305 HydrophobicContact CD1-CD1 3.34Å; L59-F305 HydrophobicContact CD1-CE1 3.6Å; L59-F305 HydrophobicContact CD1-CG 4.21Å; Q291-F305 HydrophobicContact CG-CD1 4.24Å; M293-F305 HydrophobicContact SD-CE1 4.34Å; V302-F305 HydrophobicContact CB-CE1 4.42Å; V302-F305 HydrophobicContact CG1-CD1 3.9Å; V302-F305 HydrophobicContact CG1-CE1 3.81Å; V302-F305 HydrophobicContact CG1-CG 4.39Å; V302-F305 HydrophobicContact CG1-CZ 4.23Å; V302-F305 HydrophobicContact CG2-CE1 4.33Å
306	V	96.1	Very high	95.3	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.042	29%	0.292	C	S	.	.			trans	-69.2	135.4	-177.9	179.8	0	0	0	0	109.7	L263 E304 T310 F311	L263-V306 HydrophobicContact CB-CG2 3.88Å; L263-V306 HydrophobicContact CD1-CG1 4.44Å; E304-V306 HydrophobicContact CG-CG2 4.36Å; V306-T310 HydrophobicContact CG1-CG2 3.58Å; V306-F311 HydrophobicContact CB-CD2 4.3Å; V306-F311 HydrophobicContact CB-CE2 3.59Å; V306-F311 HydrophobicContact CB-CZ 3.9Å; V306-F311 HydrophobicContact CG1-CD2 3.84Å; V306-F311 HydrophobicContact CG1-CE2 3.62Å; V306-F311 HydrophobicContact CG1-CG 4.42Å; V306-F311 HydrophobicContact CG1-CZ 4.01Å; V306-F311 WeakPolarHBondContact O-CE2 3.43Å
307	T	95.6	Very high	95.7	Very high	28 Å²	28	63.7 Å²	63.7	17%	0.172	29%	0.286	C	S	.	.			trans	-76.1	149.7	-176.5	67.5	0	0	0	0	111.8	L44 E309 T310 F311	L44-T307 HydrophobicContact CD1-CG2 3.71Å; T307-E309 VanDerWaalsContact CB-OE2 3.3Å; T307-E309 WeakPolarHBondContact CB-OE2 3.46Å; T307-E309 PolarHBondContact O-N 3.47Å; T307-E309 PolarHBondContact OG1-OE2 3.37Å; T307-T310 WeakPolarHBondContact O-CB 3.36Å; T307-T310 PolarHBondContact O-N 2.85Å; T307-T310 PolarHBondContact OG1-N 2.97Å; T307-T310 PolarHBondContact OG1-OG1 3.38Å; T307-F311 VanDerWaalsContact O-CD2 3.3Å; T307-F311 WeakPolarHBondContact O-CD2 3.27Å; T307-F311 PolarHBondContact O-N 2.71Å; T307-F311 VanDerWaalsContact O-N 3.1Å
308	P	95.4	Very high	96.2	Very high	15 Å²	15	54.7 Å²	54.7	10%	0.097	25%	0.246	C	C	.	.	H	α-helix	trans	-52.1	-36.6	173.2	-27.4	36	0	0	0	113.7	C35 A37 W58 T310 F311 Q312 P330	C35-P308 HydrophobicContact CB-CB 4.4Å; C35-P308 HydrophobicContact CB-CG 4.42Å; A37-P308 HydrophobicContact CB-CG 4.22Å; W58-P308 HydrophobicContact CB-CG 4.45Å; W58-P308 HydrophobicContact CD2-CG 4.27Å; W58-P308 HydrophobicContact CG-CG 4.06Å; P308-T310 VanDerWaalsContact C-N 3.34Å; P308-T310 PolarHBondContact O-N 3.08Å; P308-F311 PolarHBondContact O-N 3.13Å; P308-Q312 PolarHBondContact O-N 2.84Å; P308-P330 HydrophobicContact CG-CG 4.16Å
309	E	96.3	Very high	96.4	Very high	83 Å²	83	46.6 Å²	46.6	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-39.9	177.3	-61.8	72.8	-159	0	0	111.4	A37 T307 Q312 R313	A37-E309 WeakPolarHBondContact CB-OE1 3.3Å; T307-E309 VanDerWaalsContact CB-OE2 3.3Å; T307-E309 WeakPolarHBondContact CB-OE2 3.46Å; T307-E309 PolarHBondContact O-N 3.47Å; T307-E309 PolarHBondContact OG1-OE2 3.37Å; E309-Q312 PolarHBondContact O-N 3.1Å; E309-R313 PolarHBondContact O-N 2.71Å
310	T	96.9	Very high	96.6	Very high	38 Å²	38	52.5 Å²	52.5	23%	0.233	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-44.4	175.9	-59.2	0	0	0	0	110.7	V306 T307 P308 Q312 R313 L314	V306-T310 HydrophobicContact CG1-CG2 3.58Å; T307-T310 WeakPolarHBondContact O-CB 3.36Å; T307-T310 PolarHBondContact O-N 2.85Å; T307-T310 PolarHBondContact OG1-N 2.97Å; T307-T310 PolarHBondContact OG1-OG1 3.38Å; P308-T310 VanDerWaalsContact C-N 3.34Å; P308-T310 PolarHBondContact O-N 3.08Å; T310-Q312 VanDerWaalsContact C-N 3.31Å; T310-Q312 PolarHBondContact O-N 3.2Å; T310-R313 PolarHBondContact O-N 3.44Å; T310-L314 HydrophobicContact CG2-CD1 4.23Å; T310-L314 WeakPolarHBondContact O-CG 3.48Å; T310-L314 PolarHBondContact O-N 3.17Å
311	F	97.4	Very high	96.7	Very high	1 Å²	1	53 Å²	53	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-42.9	172.8	-77.3	-74.5	0	0	0	111.9	L263 L289 Q291 V306 T307 P308 R313 L314 K315 S328 G329 P330	L263-F311 HydrophobicContact CB-CE1 4.43Å; L263-F311 HydrophobicContact CB-CZ 4.39Å; L263-F311 HydrophobicContact CD1-CD1 4.06Å; L263-F311 HydrophobicContact CD1-CE1 3.56Å; L263-F311 HydrophobicContact CD1-CZ 4.15Å; L263-F311 HydrophobicContact CG-CE1 4.19Å; L289-F311 HydrophobicContact CB-CD1 4.48Å; Q291-F311 HydrophobicContact CB-CZ 4.06Å; V306-F311 HydrophobicContact CB-CD2 4.3Å; V306-F311 HydrophobicContact CB-CE2 3.59Å; V306-F311 HydrophobicContact CB-CZ 3.9Å; V306-F311 HydrophobicContact CG1-CD2 3.84Å; V306-F311 HydrophobicContact CG1-CE2 3.62Å; V306-F311 HydrophobicContact CG1-CG 4.42Å; V306-F311 HydrophobicContact CG1-CZ 4.01Å; V306-F311 WeakPolarHBondContact O-CE2 3.43Å; T307-F311 VanDerWaalsContact O-CD2 3.3Å; T307-F311 WeakPolarHBondContact O-CD2 3.27Å; T307-F311 PolarHBondContact O-N 2.71Å; T307-F311 VanDerWaalsContact O-N 3.1Å; P308-F311 PolarHBondContact O-N 3.13Å; F311-R313 VanDerWaalsContact C-N 3.32Å; F311-R313 PolarHBondContact O-N 2.98Å; F311-L314 PolarHBondContact O-N 2.84Å; F311-K315 PolarHBondContact O-N 3.32Å; F311-S328 WeakPolarHBondContact CA-OG 3.34Å; F311-S328 WeakPolarHBondContact CD1-OG 3.4Å; F311-S328 VanDerWaalsContact O-CB 3.24Å; F311-S328 WeakPolarHBondContact O-CB 3.48Å; F311-S328 PolarHBondContact O-OG 3.28Å; F311-G329 VanDerWaalsContact CD1-N 3.33Å; F311-P330 HydrophobicContact CD2-CB 4.41Å; F311-P330 HydrophobicContact CD2-CG 3.72Å; F311-P330 HydrophobicContact CE2-CB 4.03Å; F311-P330 HydrophobicContact CE2-CG 3.83Å
312	Q	97	Very high	96.8	Very high	99 Å²	99	52.1 Å²	52.1	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-35.6	179.3	-162.7	178.2	50.7	0	0	112.3	P308 E309 T310 K315 K316	P308-Q312 PolarHBondContact O-N 2.84Å; E309-Q312 PolarHBondContact O-N 3.1Å; T310-Q312 VanDerWaalsContact C-N 3.31Å; T310-Q312 PolarHBondContact O-N 3.2Å; Q312-K315 WeakPolarHBondContact O-CB 3.3Å; Q312-K316 WeakPolarHBondContact O-CG 3.24Å; Q312-K316 PolarHBondContact O-N 2.86Å
313	R	98.1	Very high	96.8	Very high	107 Å²	107	52.1 Å²	52.1	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-68.9	-45.3	174	-175.8	171.2	57	119.9	5.3	112.2	E269 E309 T310 F311 K315 K316 I317	E269-R313 IonicContact OE1-CZ 3.77Å; E269-R313 IonicContact OE1-NE 3.06Å; E269-R313 IonicContact OE1-NH1 2.74Å; E269-R313 PolarHBondContact OE1-NH1 3.17Å; E269-R313 IonicContact OE1-NH2 2.88Å; E269-R313 PolarHBondContact OE1-NH2 2.85Å; E269-R313 IonicContact OE2-CZ 3.17Å; E269-R313 IonicContact OE2-NH1 3.81Å; E269-R313 PolarHBondContact OE2-NH1 3.04Å; E269-R313 IonicContact OE2-NH2 3.95Å; E269-R313 PolarHBondContact OE2-NH2 2.75Å; E309-R313 PolarHBondContact O-N 2.71Å; T310-R313 PolarHBondContact O-N 3.44Å; F311-R313 VanDerWaalsContact C-N 3.32Å; F311-R313 PolarHBondContact O-N 2.98Å; R313-K315 VanDerWaalsContact C-N 3.26Å; R313-K315 PolarHBondContact O-N 2.81Å; R313-K316 WeakPolarHBondContact O-CB 3.41Å; R313-K316 PolarHBondContact O-N 3.05Å; R313-K316 VanDerWaalsContact O-N 3.08Å; R313-I317 HydrophobicContact CG-CD1 4.42Å; R313-I317 WeakPolarHBondContact O-CG1 3.05Å; R313-I317 PolarHBondContact O-N 3.24Å
314	L	98.2	Very high	96.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-36.1	174.9	-69.3	172	0	0	0	111.9	L263 E269 I272 L289 T310 F311 K316 I317 G318	L263-L314 HydrophobicContact CD1-CD1 3.44Å; L263-L314 VanDerWaalsContact CD1-CD1 3.44Å; E269-L314 HydrophobicContact CG-CD2 4.19Å; I272-L314 HydrophobicContact CB-CD2 4.44Å; I272-L314 HydrophobicContact CD1-CD1 4.14Å; I272-L314 HydrophobicContact CG2-CD1 4.38Å; I272-L314 HydrophobicContact CG2-CD2 3.87Å; L289-L314 HydrophobicContact CD1-CB 3.66Å; L289-L314 HydrophobicContact CD1-CD1 4.33Å; T310-L314 HydrophobicContact CG2-CD1 4.23Å; T310-L314 WeakPolarHBondContact O-CG 3.48Å; T310-L314 PolarHBondContact O-N 3.17Å; F311-L314 PolarHBondContact O-N 2.84Å; L314-K316 PolarHBondContact O-N 3.42Å; L314-I317 HydrophobicContact CD2-CD1 4.46Å; L314-I317 PolarHBondContact O-N 3.21Å; L314-G318 PolarHBondContact O-N 2.63Å
315	K	96.9	Very high	96.3	Very high	68 Å²	68	49.6 Å²	49.6	30%	0.296	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-50.1	171.1	176.6	162.4	172.1	42.8	0	111.7	F311 Q312 R313 I317 G318 D319 T326	F311-K315 PolarHBondContact O-N 3.32Å; Q312-K315 WeakPolarHBondContact O-CB 3.3Å; R313-K315 VanDerWaalsContact C-N 3.26Å; R313-K315 PolarHBondContact O-N 2.81Å; K315-I317 VanDerWaalsContact C-N 3.29Å; K315-I317 PolarHBondContact O-N 2.93Å; K315-G318 PolarHBondContact O-N 3.05Å; K315-G318 VanDerWaalsContact O-N 3.17Å; K315-D319 WeakPolarHBondContact CG-OD2 3.5Å; K315-D319 IonicContact NZ-OD1 3.97Å; K315-D319 PolarHBondContact NZ-OD1 3.03Å; K315-D319 IonicContact NZ-OD2 2.63Å; K315-D319 PolarHBondContact NZ-OD2 2.84Å; K315-D319 VanDerWaalsContact O-CG 3.22Å; K315-D319 PolarHBondContact O-N 2.87Å; K315-T326 PolarHBondContact NZ-O 2.96Å
316	K	97.8	Very high	96.1	Very high	125 Å²	125	49.3 Å²	49.3	54%	0.543	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-41.1	179.6	-69.1	174	-177.7	178.3	0	111.6	Q312 R313 L314 D319 Q320	Q312-K316 WeakPolarHBondContact O-CG 3.24Å; Q312-K316 PolarHBondContact O-N 2.86Å; R313-K316 WeakPolarHBondContact O-CB 3.41Å; R313-K316 PolarHBondContact O-N 3.05Å; R313-K316 VanDerWaalsContact O-N 3.08Å; L314-K316 PolarHBondContact O-N 3.42Å; K316-D319 PolarHBondContact O-N 2.74Å; K316-Q320 WeakPolarHBondContact O-CB 3.16Å; K316-Q320 WeakPolarHBondContact O-CG 3.49Å; K316-Q320 PolarHBondContact O-N 2.95Å
317	I	98.3	Very high	96	Very high	32 Å²	32	49.2 Å²	49.2	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-45.1	176.2	-63.8	167.6	0	0	0	110.5	V273 M276 R313 L314 K315 D319 Q320 L321	V273-I317 HydrophobicContact CG1-CG2 4.28Å; V273-I317 HydrophobicContact CG2-CD1 4Å; V273-I317 HydrophobicContact CG2-CG2 4.14Å; M276-I317 HydrophobicContact CE-CB 4.35Å; M276-I317 HydrophobicContact CE-CG2 4.11Å; R313-I317 HydrophobicContact CG-CD1 4.42Å; R313-I317 WeakPolarHBondContact O-CG1 3.05Å; R313-I317 PolarHBondContact O-N 3.24Å; L314-I317 HydrophobicContact CD2-CD1 4.46Å; L314-I317 PolarHBondContact O-N 3.21Å; K315-I317 VanDerWaalsContact C-N 3.29Å; K315-I317 PolarHBondContact O-N 2.93Å; I317-D319 PolarHBondContact O-N 3.19Å; I317-Q320 WeakPolarHBondContact O-CB 3.44Å; I317-Q320 PolarHBondContact O-N 3.44Å; I317-L321 HydrophobicContact CG2-CD1 4.01Å; I317-L321 HydrophobicContact CG2-CG 4.32Å; I317-L321 WeakPolarHBondContact O-CG 3.11Å; I317-L321 PolarHBondContact O-N 3.01Å
318	G	97.6	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-45.6	177.5	0	0	0	0	0	112.6	L314 K315 Q320 L321 G322 F323	L314-G318 PolarHBondContact O-N 2.63Å; K315-G318 PolarHBondContact O-N 3.05Å; K315-G318 VanDerWaalsContact O-N 3.17Å; G318-Q320 VanDerWaalsContact C-N 3.27Å; G318-Q320 PolarHBondContact O-N 2.73Å; G318-L321 PolarHBondContact O-N 3.28Å; G318-G322 PolarHBondContact O-N 3.2Å; G318-F323 WeakPolarHBondContact O-CD2 3.36Å; G318-F323 PolarHBondContact O-N 3.16Å
319	D	95	Very high	95.9	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-62.4	-35.8	176.6	-61.4	-18.5	0	0	0	111.2	K315 K316 I317 G322 T326	K315-D319 WeakPolarHBondContact CG-OD2 3.5Å; K315-D319 IonicContact NZ-OD1 3.97Å; K315-D319 PolarHBondContact NZ-OD1 3.03Å; K315-D319 IonicContact NZ-OD2 2.63Å; K315-D319 PolarHBondContact NZ-OD2 2.84Å; K315-D319 VanDerWaalsContact O-CG 3.22Å; K315-D319 PolarHBondContact O-N 2.87Å; K316-D319 PolarHBondContact O-N 2.74Å; I317-D319 PolarHBondContact O-N 3.19Å; D319-G322 PolarHBondContact O-N 3.39Å; D319-T326 PolarHBondContact N-OG1 2.91Å; D319-T326 WeakPolarHBondContact OD1-CB 3.11Å; D319-T326 PolarHBondContact OD1-OG1 2.9Å
320	Q	97.7	Very high	95.7	Very high	161 Å²	161	45.7 Å²	45.7	75%	0.752	23%	0.232	S	C	*	.	H	α-helix	trans	-71.2	-31.7	174.9	-75.1	170.9	-8.7	0	0	113.9	K316 I317 G318 G322	K316-Q320 WeakPolarHBondContact O-CB 3.16Å; K316-Q320 WeakPolarHBondContact O-CG 3.49Å; K316-Q320 PolarHBondContact O-N 2.95Å; I317-Q320 WeakPolarHBondContact O-CB 3.44Å; I317-Q320 PolarHBondContact O-N 3.44Å; G318-Q320 VanDerWaalsContact C-N 3.27Å; G318-Q320 PolarHBondContact O-N 2.73Å; Q320-G322 PolarHBondContact O-N 2.83Å
321	L	98	Very high	95.4	Very high	56 Å²	56	45.2 Å²	45.2	29%	0.293	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.5	175.3	-70.4	174.2	0	0	0	113	M276 K277 R280 I317 G318 F323	M276-L321 HydrophobicContact CB-CD1 3.62Å; M276-L321 HydrophobicContact CE-CD1 4.19Å; K277-L321 HydrophobicContact CG-CD1 4.22Å; K277-L321 HydrophobicContact CG-CD2 3.98Å; R280-L321 HydrophobicContact CG-CB 4.17Å; R280-L321 PolarHBondContact NE-O 3.08Å; I317-L321 HydrophobicContact CG2-CD1 4.01Å; I317-L321 HydrophobicContact CG2-CG 4.32Å; I317-L321 WeakPolarHBondContact O-CG 3.11Å; I317-L321 PolarHBondContact O-N 3.01Å; G318-L321 PolarHBondContact O-N 3.28Å; L321-F323 HydrophobicContact CB-CD2 4.47Å; L321-F323 HydrophobicContact CB-CE2 4.49Å
322	G	96.1	Very high	95.1	Very high	36 Å²	36	45.7 Å²	45.7	37%	0.371	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	23.5	173.7	0	0	0	0	0	114.9	R280 G318 D319 Q320	R280-G322 VanDerWaalsContact CZ-O 3.26Å; R280-G322 PolarHBondContact NE-O 2.64Å; R280-G322 PolarHBondContact NH2-O 2.62Å; G318-G322 PolarHBondContact O-N 3.2Å; D319-G322 PolarHBondContact O-N 3.39Å; Q320-G322 PolarHBondContact O-N 2.83Å
323	F	95.8	Very high	94.5	Very high	11 Å²	11	43 Å²	43	5%	0.048	22%	0.217	C	C	.	.			trans	-60.6	137.8	162.3	-72.6	-78.5	0	0	0	109.3	M276 L279 R280 V284 D285 L287 G318 L321 Y325	M276-F323 HydrophobicContact CB-CE2 4.2Å; M276-F323 HydrophobicContact CE-CE2 4.42Å; M276-F323 WeakPolarHBondContact O-CZ 3.36Å; L279-F323 HydrophobicContact CB-CE1 4.13Å; L279-F323 HydrophobicContact CB-CZ 3.83Å; L279-F323 HydrophobicContact CD1-CZ 4.39Å; R280-F323 VanDerWaalsContact CD-CD1 3.47Å; R280-F323 VanDerWaalsContact CD-CE1 3.4Å; R280-F323 VanDerWaalsContact CD-CZ 3.49Å; R280-F323 HydrophobicContact CG-CD1 4.44Å; R280-F323 HydrophobicContact CG-CD2 4.04Å; R280-F323 HydrophobicContact CG-CE1 4.01Å; R280-F323 HydrophobicContact CG-CE2 3.57Å; R280-F323 HydrophobicContact CG-CG 4.46Å; R280-F323 HydrophobicContact CG-CZ 3.55Å; V284-F323 HydrophobicContact CB-CE1 4.42Å; V284-F323 HydrophobicContact CG1-CE1 4.39Å; V284-F323 VanDerWaalsContact O-CD1 3.27Å; V284-F323 WeakPolarHBondContact O-CD1 3.22Å; V284-F323 VanDerWaalsContact O-CE1 3.31Å; V284-F323 WeakPolarHBondContact O-CE1 3.36Å; D285-F323 CarbonylContact O-C 3.56Å; D285-F323 WeakPolarHBondContact O-CA 3.42Å; L287-F323 HydrophobicContact CB-CD1 3.82Å; L287-F323 HydrophobicContact CB-CD2 4.31Å; L287-F323 HydrophobicContact CB-CE1 3.79Å; L287-F323 HydrophobicContact CB-CE2 4.29Å; L287-F323 HydrophobicContact CB-CG 4.1Å; L287-F323 HydrophobicContact CB-CZ 4.03Å; L287-F323 HydrophobicContact CD2-CD2 4.31Å; L287-F323 HydrophobicContact CD2-CE2 3.81Å; L287-F323 HydrophobicContact CD2-CZ 3.94Å; G318-F323 WeakPolarHBondContact O-CD2 3.36Å; G318-F323 PolarHBondContact O-N 3.16Å; L321-F323 HydrophobicContact CB-CD2 4.47Å; L321-F323 HydrophobicContact CB-CE2 4.49Å; F323-Y325 PolarHBondContact O-N 3.38Å
324	L	92.5	Very high	93.7	Very high	83 Å²	83	39.1 Å²	39.1	44%	0.435	21%	0.206	S	C	.	.	S	Bend	trans	-62	-29.4	172.7	-60.7	-172	0	0	0	111.4	D285 I346 R350	D285-L324 HydrophobicContact CB-CD1 3.81Å; D285-L324 HydrophobicContact CB-CG 4.06Å; D285-L324 PolarHBondContact O-N 3.33Å; D285-L324 WeakPolarHBondContact OD1-CD1 3.25Å; L324-I346 HydrophobicContact CB-CD1 3.85Å; L324-I346 HydrophobicContact CD1-CD1 4.36Å; L324-I346 HydrophobicContact CD1-CG2 4.14Å; L324-R350 VanDerWaalsContact CD1-NH2 3.31Å
325	Y	88.5	Confident	92.5	Very high	14 Å²	14	40 Å²	40	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	128	177.5	171.6	-107.8	0	0	0	111.5	C286 L287 F323 A327 A338 G339 F342	C286-Y325 WeakPolarHBondContact CA-O 3.47Å; L287-Y325 PolarHBondContact N-O 3.01Å; F323-Y325 PolarHBondContact O-N 3.38Å; Y325-A327 HydrophobicContact CE1-CB 3.59Å; Y325-A327 WeakPolarHBondContact OH-CB 3.47Å; Y325-A338 WeakPolarHBondContact OH-CB 3.05Å; Y325-A338 PolarHBondContact OH-O 2.54Å; Y325-A338 VanDerWaalsContact OH-O 3.11Å; Y325-G339 VanDerWaalsContact CZ-CA 3.45Å; Y325-G339 WeakPolarHBondContact OH-CA 3.5Å; Y325-G339 PolarHBondContact OH-N 3.28Å; Y325-G339 VanDerWaalsContact OH-N 3.15Å; Y325-F342 HydrophobicContact CD2-CB 3.64Å; Y325-F342 HydrophobicContact CD2-CD1 4Å; Y325-F342 AromaticContact CD2-CD2 3.56Å; Y325-F342 HydrophobicContact CD2-CD2 3.56Å; Y325-F342 HydrophobicContact CD2-CE2 4.2Å; Y325-F342 AromaticContact CD2-CG 3.44Å; Y325-F342 HydrophobicContact CD2-CG 3.44Å; Y325-F342 VanDerWaalsContact CD2-CG 3.44Å; Y325-F342 HydrophobicContact CE2-CB 4.12Å; Y325-F342 AromaticContact CE2-CD2 3.32Å; Y325-F342 HydrophobicContact CE2-CD2 3.32Å; Y325-F342 AromaticContact CE2-CE2 3.82Å; Y325-F342 HydrophobicContact CE2-CE2 3.82Å; Y325-F342 AromaticContact CE2-CG 3.75Å; Y325-F342 HydrophobicContact CE2-CG 3.75Å; Y325-F342 HydrophobicContact CG-CB 3.96Å; Y325-F342 HydrophobicContact CG-CG 4.26Å
326	T	93.9	Very high	91	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.7	170.1	-44.8	0	0	0	0	110.4	L287 K315 D319	L287-T326 HydrophobicContact CD2-CG2 4.39Å; L287-T326 WeakPolarHBondContact O-CA 3.38Å; K315-T326 PolarHBondContact NZ-O 2.96Å; D319-T326 PolarHBondContact N-OG1 2.91Å; D319-T326 WeakPolarHBondContact OD1-CB 3.11Å; D319-T326 PolarHBondContact OD1-OG1 2.9Å
327	A	93	Very high	89.4	Confident	5 Å²	5	34.2 Å²	34.2	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.7	165.1	0	0	0	0	0	109.1	L287 T288 L289 Y325 V332	L287-A327 PolarHBondContact O-N 3.46Å; T288-A327 CarbonylContact C-O 3.22Å; T288-A327 VanDerWaalsContact CA-O 3.29Å; T288-A327 WeakPolarHBondContact CA-O 3.38Å; T288-A327 HydrophobicContact CG2-CB 3.87Å; L289-A327 PolarHBondContact N-O 3.05Å; Y325-A327 HydrophobicContact CE1-CB 3.59Å; Y325-A327 WeakPolarHBondContact OH-CB 3.47Å; A327-V332 HydrophobicContact CB-CG1 3.84Å; A327-V332 HydrophobicContact CB-CG2 4.34Å
328	S	95	Very high	87.2	Confident	21 Å²	21	34.8 Å²	34.8	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	122.2	177.3	-167.9	0	0	0	0	109.4	L289 F311	L289-S328 WeakPolarHBondContact O-CA 3.35Å; F311-S328 WeakPolarHBondContact CA-OG 3.34Å; F311-S328 WeakPolarHBondContact CD1-OG 3.4Å; F311-S328 VanDerWaalsContact O-CB 3.24Å; F311-S328 WeakPolarHBondContact O-CB 3.48Å; F311-S328 PolarHBondContact O-OG 3.28Å
329	G	94	Very high	85.3	Confident	11 Å²	11	34.9 Å²	34.9	11%	0.113	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	159.5	178.1	0	0	0	0	0	112.7	L289 F311 L331 V332	L289-G329 PolarHBondContact O-N 2.6Å; L289-G329 VanDerWaalsContact O-N 3.08Å; F311-G329 VanDerWaalsContact CD1-N 3.33Å; G329-L331 PolarHBondContact O-N 3.28Å; G329-L331 VanDerWaalsContact O-N 3.09Å; G329-V332 WeakPolarHBondContact O-CB 3.43Å; G329-V332 PolarHBondContact O-N 2.85Å; G329-V332 VanDerWaalsContact O-N 3.08Å
330	P	92.9	Very high	83.9	Confident	20 Å²	20	32.3 Å²	32.3	13%	0.13	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.4	-176.1	-22.8	31.2	0	0	0	113.4	L59 Q291 P308 F311 R333	L59-P330 HydrophobicContact CD2-CB 3.48Å; L59-P330 VanDerWaalsContact CD2-CB 3.48Å; L59-P330 HydrophobicContact CG-CB 4.31Å; Q291-P330 WeakPolarHBondContact CB-O 3.42Å; Q291-P330 PolarHBondContact N-O 3.08Å; P308-P330 HydrophobicContact CG-CG 4.16Å; F311-P330 HydrophobicContact CD2-CB 4.41Å; F311-P330 HydrophobicContact CD2-CG 3.72Å; F311-P330 HydrophobicContact CE2-CB 4.03Å; F311-P330 HydrophobicContact CE2-CG 3.83Å; P330-R333 PolarHBondContact O-NH1 2.88Å
331	L	89.9	Confident	82.2	Confident	29 Å²	29	30.3 Å²	30.3	15%	0.152	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	2.1	-175.9	-60.8	166.7	0	0	0	113.2	L59 R61 N92 G329	L59-L331 HydrophobicContact CD2-CD2 3.94Å; L59-L331 HydrophobicContact CD2-CG 4.45Å; R61-L331 HydrophobicContact CG-CD2 4.43Å; N92-L331 PolarHBondContact ND2-O 2.86Å; G329-L331 PolarHBondContact O-N 3.28Å; G329-L331 VanDerWaalsContact O-N 3.09Å
332	V	90.1	Very high	80.7	Confident	10 Å²	10	32.2 Å²	32.2	6%	0.061	18%	0.176	C	C	.	.			trans	-64.6	140.2	171.9	172.8	0	0	0	0	109.2	T288 L289 G290 A327 G329 Y336	T288-V332 HydrophobicContact CG2-CG1 4.4Å; L289-V332 WeakPolarHBondContact O-CB 3.46Å; G290-V332 VanDerWaalsContact CA-O 3.32Å; G290-V332 WeakPolarHBondContact CA-O 3.27Å; A327-V332 HydrophobicContact CB-CG1 3.84Å; A327-V332 HydrophobicContact CB-CG2 4.34Å; G329-V332 WeakPolarHBondContact O-CB 3.43Å; G329-V332 PolarHBondContact O-N 2.85Å; G329-V332 VanDerWaalsContact O-N 3.08Å; V332-Y336 HydrophobicContact CB-CD1 4.47Å; V332-Y336 HydrophobicContact CG2-CD1 4.09Å; V332-Y336 HydrophobicContact CG2-CE1 4.34Å
333	R	86.2	Confident	79.5	Confident	43 Å²	43	30.5 Å²	30.5	16%	0.162	16%	0.159	C	C	.	.			trans	-133.6	163	176.3	-61.4	-63.8	179.2	-92.3	2.2	108.1	Q291 P330 S335 Y336	Q291-R333 PolarHBondContact O-NH1 2.86Å; P330-R333 PolarHBondContact O-NH1 2.88Å; R333-S335 PolarHBondContact O-N 3.4Å; R333-Y336 WeakPolarHBondContact O-CB 3.45Å; R333-Y336 PolarHBondContact O-N 3.32Å
334	S	80	Confident	78.4	Confident	26 Å²	26	33.9 Å²	33.9	18%	0.182	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-42.8	177.6	51.9	0	0	0	0	111.8	N220 K258 Y336	N220-S334 WeakPolarHBondContact ND2-CB 3.34Å; K258-S334 VanDerWaalsContact CE-O 3.32Å; K258-S334 WeakPolarHBondContact CE-O 3.44Å; K258-S334 PolarHBondContact NZ-O 3.19Å; S334-Y336 PolarHBondContact O-N 3.06Å
335	S	72.7	Confident	77.6	Confident	18 Å²	18	34.6 Å²	34.6	13%	0.126	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	18.2	177.5	65.7	0	0	0	0	115.3	T108 R333	T108-S335 WeakPolarHBondContact OG1-CB 3.25Å; T108-S335 PolarHBondContact OG1-OG 3.31Å; T108-S335 VanDerWaalsContact OG1-OG 3.14Å; R333-S335 PolarHBondContact O-N 3.4Å
336	Y	66.7	Low	77.1	Confident	43 Å²	43	35.3 Å²	35.3	17%	0.169	18%	0.182	C	C	.	.			trans	-76.2	140.1	-170.2	-171.7	-110.4	0	0	0	114.7	V332 R333 S334 A338 G339	V332-Y336 HydrophobicContact CB-CD1 4.47Å; V332-Y336 HydrophobicContact CG2-CD1 4.09Å; V332-Y336 HydrophobicContact CG2-CE1 4.34Å; R333-Y336 WeakPolarHBondContact O-CB 3.45Å; R333-Y336 PolarHBondContact O-N 3.32Å; S334-Y336 PolarHBondContact O-N 3.06Å; Y336-A338 VanDerWaalsContact C-N 3.29Å; Y336-A338 HydrophobicContact CD1-CB 3.6Å; Y336-A338 HydrophobicContact CE1-CB 3.55Å; Y336-A338 PolarHBondContact O-N 2.99Å; Y336-A338 VanDerWaalsContact O-N 3.16Å; Y336-G339 PolarHBondContact O-N 3.27Å
337	R	63.6	Low	76.2	Confident	29 Å²	29	35.8 Å²	35.8	11%	0.109	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.6	-174.8	-68	-174.9	58.1	-153.9	-7.1	115.7	E95 G100 V104 T106 G339 E340	E95-R337 PolarHBondContact O-NH1 2.93Å; G100-R337 VanDerWaalsContact CA-NH1 3.32Å; V104-R337 VanDerWaalsContact O-CZ 3.24Å; V104-R337 PolarHBondContact O-NE 2.96Å; V104-R337 PolarHBondContact O-NH2 3.28Å; T106-R337 WeakPolarHBondContact OG1-CG 3.49Å; R337-G339 PolarHBondContact O-N 3.36Å; R337-E340 VanDerWaalsContact O-CB 3.24Å; R337-E340 WeakPolarHBondContact O-CB 3.39Å; R337-E340 PolarHBondContact O-N 2.83Å
338	A	52	Low	75.4	Confident	44 Å²	44	37.9 Å²	37.9	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-57.7	-25.3	-173.4	0	0	0	0	0	113.3	Y325 Y336	Y325-A338 WeakPolarHBondContact OH-CB 3.05Å; Y325-A338 PolarHBondContact OH-O 2.54Å; Y325-A338 VanDerWaalsContact OH-O 3.11Å; Y336-A338 VanDerWaalsContact C-N 3.29Å; Y336-A338 HydrophobicContact CD1-CB 3.6Å; Y336-A338 HydrophobicContact CE1-CB 3.55Å; Y336-A338 PolarHBondContact O-N 2.99Å; Y336-A338 VanDerWaalsContact O-N 3.16Å
339	G	57.9	Low	74.6	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-76.5	-20.8	174.9	0	0	0	0	0	114.8	Y325 Y336 R337 F341 F342 L343	Y325-G339 VanDerWaalsContact CZ-CA 3.45Å; Y325-G339 WeakPolarHBondContact OH-CA 3.5Å; Y325-G339 PolarHBondContact OH-N 3.28Å; Y325-G339 VanDerWaalsContact OH-N 3.15Å; Y336-G339 PolarHBondContact O-N 3.27Å; R337-G339 PolarHBondContact O-N 3.36Å; G339-F341 PolarHBondContact O-N 3.08Å; G339-F342 PolarHBondContact O-N 3.16Å; G339-L343 VanDerWaalsContact O-CB 3.26Å; G339-L343 WeakPolarHBondContact O-CB 3.39Å; G339-L343 WeakPolarHBondContact O-CG 3.21Å; G339-L343 PolarHBondContact O-N 3.34Å
340	E	65.5	Low	73.8	Confident	15 Å²	15	45.1 Å²	45.1	7%	0.07	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-48	-171.8	-179.6	176.9	166.1	0	0	112.3	V104 T106 Y153 R337 F342 L343 K344	V104-E340 VanDerWaalsContact CG1-OE1 3.23Å; V104-E340 WeakPolarHBondContact CG1-OE1 3.31Å; T106-E340 PolarHBondContact OG1-OE2 3.08Å; Y153-E340 WeakPolarHBondContact CB-OE1 3.43Å; Y153-E340 HydrophobicContact CD1-CG 4.37Å; Y153-E340 HydrophobicContact CD2-CB 4.47Å; Y153-E340 HydrophobicContact CD2-CG 3.74Å; Y153-E340 HydrophobicContact CE2-CG 4.45Å; Y153-E340 HydrophobicContact CG-CB 4.44Å; Y153-E340 HydrophobicContact CG-CG 3.69Å; R337-E340 VanDerWaalsContact O-CB 3.24Å; R337-E340 WeakPolarHBondContact O-CB 3.39Å; R337-E340 PolarHBondContact O-N 2.83Å; E340-F342 VanDerWaalsContact C-N 3.34Å; E340-F342 PolarHBondContact O-N 2.85Å; E340-L343 PolarHBondContact O-N 3.1Å; E340-K344 WeakPolarHBondContact O-CB 3.42Å; E340-K344 PolarHBondContact O-N 3.24Å
341	F	61.9	Low	73	Confident	119 Å²	119	49 Å²	49	52%	0.522	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-42	-180	-111.3	-82.1	0	0	0	112	G339 N345	G339-F341 PolarHBondContact O-N 3.08Å; F341-N345 WeakPolarHBondContact O-CB 3.45Å; F341-N345 PolarHBondContact O-N 2.89Å; F341-N345 PolarHBondContact O-ND2 2.92Å
342	F	67	Low	72.2	Confident	96 Å²	96	53.5 Å²	53.5	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-47.4	178.2	-74.7	-83.4	0	0	0	111.4	Y325 G339 E340 K344 N345 I346	Y325-F342 HydrophobicContact CD2-CB 3.64Å; Y325-F342 HydrophobicContact CD2-CD1 4Å; Y325-F342 AromaticContact CD2-CD2 3.56Å; Y325-F342 HydrophobicContact CD2-CD2 3.56Å; Y325-F342 HydrophobicContact CD2-CE2 4.2Å; Y325-F342 AromaticContact CD2-CG 3.44Å; Y325-F342 HydrophobicContact CD2-CG 3.44Å; Y325-F342 VanDerWaalsContact CD2-CG 3.44Å; Y325-F342 HydrophobicContact CE2-CB 4.12Å; Y325-F342 AromaticContact CE2-CD2 3.32Å; Y325-F342 HydrophobicContact CE2-CD2 3.32Å; Y325-F342 AromaticContact CE2-CE2 3.82Å; Y325-F342 HydrophobicContact CE2-CE2 3.82Å; Y325-F342 AromaticContact CE2-CG 3.75Å; Y325-F342 HydrophobicContact CE2-CG 3.75Å; Y325-F342 HydrophobicContact CG-CB 3.96Å; Y325-F342 HydrophobicContact CG-CG 4.26Å; G339-F342 PolarHBondContact O-N 3.16Å; E340-F342 VanDerWaalsContact C-N 3.34Å; E340-F342 PolarHBondContact O-N 2.85Å; F342-K344 VanDerWaalsContact C-N 3.34Å; F342-K344 PolarHBondContact O-N 3.5Å; F342-N345 PolarHBondContact O-N 2.91Å; F342-I346 WeakPolarHBondContact O-CD1 3.39Å; F342-I346 VanDerWaalsContact O-CG1 3.24Å; F342-I346 WeakPolarHBondContact O-CG1 3.44Å; F342-I346 PolarHBondContact O-N 3.15Å
343	L	71.3	Confident	71.5	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-40.5	178.5	-69.7	169.5	0	0	0	111.1	Y153 V216 V256 K258 C286 G339 E340 N345 I346 V347	Y153-L343 HydrophobicContact CE2-CB 4.33Å; Y153-L343 WeakPolarHBondContact OH-CD1 3.15Å; V216-L343 HydrophobicContact CG2-CD1 4.43Å; V216-L343 HydrophobicContact CG2-CD2 4.18Å; V256-L343 HydrophobicContact CG1-CD2 3.69Å; K258-L343 HydrophobicContact CD-CD1 4.38Å; C286-L343 VanDerWaalsContact SG-CD2 3.6Å; G339-L343 VanDerWaalsContact O-CB 3.26Å; G339-L343 WeakPolarHBondContact O-CB 3.39Å; G339-L343 WeakPolarHBondContact O-CG 3.21Å; G339-L343 PolarHBondContact O-N 3.34Å; E340-L343 PolarHBondContact O-N 3.1Å; L343-N345 VanDerWaalsContact C-N 3.34Å; L343-N345 PolarHBondContact O-N 3.3Å; L343-I346 PolarHBondContact O-N 3.2Å; L343-V347 WeakPolarHBondContact O-CB 3.33Å; L343-V347 VanDerWaalsContact O-CG2 3.26Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 2.83Å
344	K	72	Confident	70.8	Confident	82 Å²	82	60.3 Å²	60.3	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-44.9	173.8	-178.5	174	-175.6	-179.9	0	111.6	L191 E340 F342 S348	L191-K344 VanDerWaalsContact CD1-CA 3.49Å; L191-K344 HydrophobicContact CD1-CB 3.62Å; L191-K344 HydrophobicContact CD1-CG 3.77Å; E340-K344 WeakPolarHBondContact O-CB 3.42Å; E340-K344 PolarHBondContact O-N 3.24Å; F342-K344 VanDerWaalsContact C-N 3.34Å; F342-K344 PolarHBondContact O-N 3.5Å; K344-S348 WeakPolarHBondContact O-CB 3.3Å; K344-S348 PolarHBondContact O-N 2.78Å; K344-S348 PolarHBondContact O-OG 3.46Å
345	N	75.6	Confident	70.3	Confident	98 Å²	98	63.2 Å²	63.2	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-66.8	-41.2	177.1	-71.9	-22.1	0	0	0	112.1	F341 F342 L343 K349	F341-N345 WeakPolarHBondContact O-CB 3.45Å; F341-N345 PolarHBondContact O-N 2.89Å; F341-N345 PolarHBondContact O-ND2 2.92Å; F342-N345 PolarHBondContact O-N 2.91Å; L343-N345 VanDerWaalsContact C-N 3.34Å; L343-N345 PolarHBondContact O-N 3.3Å; N345-K349 WeakPolarHBondContact O-CB 3.49Å; N345-K349 PolarHBondContact O-N 2.88Å
346	I	77.3	Confident	69.6	Low	29 Å²	29	69.7 Å²	69.7	15%	0.149	38%	0.377	C	S	.	.	H	α-helix	trans	-63.5	-51.2	177.6	-68.1	162.1	0	0	0	110.6	V256 L324 F342 L343 K349 R350	V256-I346 HydrophobicContact CG2-CG2 3.86Å; L324-I346 HydrophobicContact CB-CD1 3.85Å; L324-I346 HydrophobicContact CD1-CD1 4.36Å; L324-I346 HydrophobicContact CD1-CG2 4.14Å; F342-I346 WeakPolarHBondContact O-CD1 3.39Å; F342-I346 VanDerWaalsContact O-CG1 3.24Å; F342-I346 WeakPolarHBondContact O-CG1 3.44Å; F342-I346 PolarHBondContact O-N 3.15Å; L343-I346 PolarHBondContact O-N 3.2Å; I346-K349 PolarHBondContact O-N 3.45Å; I346-R350 WeakPolarHBondContact O-CG 3.34Å; I346-R350 PolarHBondContact O-N 2.87Å
347	V	76	Confident	69.8	Low	11 Å²	11	71.1 Å²	71.1	7%	0.067	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-43.1	-179.3	175.5	0	0	0	0	110.6	L191 D215 V256 L343 K349 R350 R351	L191-V347 HydrophobicContact CD2-CB 4.07Å; L191-V347 HydrophobicContact CD2-CG1 3.59Å; D215-V347 HydrophobicContact CB-CG1 4.19Å; D215-V347 HydrophobicContact CB-CG2 4.18Å; V256-V347 HydrophobicContact CG2-CG2 4Å; L343-V347 WeakPolarHBondContact O-CB 3.33Å; L343-V347 VanDerWaalsContact O-CG2 3.26Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 2.83Å; V347-K349 VanDerWaalsContact C-N 3.34Å; V347-K349 PolarHBondContact O-N 2.72Å; V347-R350 PolarHBondContact O-N 2.73Å; V347-R351 HydrophobicContact CG1-CG 4.39Å; V347-R351 WeakPolarHBondContact O-CG 3.41Å; V347-R351 PolarHBondContact O-N 2.9Å
348	S	76.8	Confident	70.1	Confident	49 Å²	49	73.3 Å²	73.3	34%	0.343	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-42.3	177.4	-58.4	0	0	0	0	111.5	K344 R351 L352	K344-S348 WeakPolarHBondContact O-CB 3.3Å; K344-S348 PolarHBondContact O-N 2.78Å; K344-S348 PolarHBondContact O-OG 3.46Å; S348-R351 PolarHBondContact O-N 3Å; S348-L352 WeakPolarHBondContact O-CG 3.39Å; S348-L352 PolarHBondContact O-N 2.95Å
349	K	77.1	Confident	71.1	Confident	130 Å²	130	74.9 Å²	74.9	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-46.5	175.4	-177.4	177.4	171.9	-179	0	111.6	N345 I346 V347 R351 L352 E353	N345-K349 WeakPolarHBondContact O-CB 3.49Å; N345-K349 PolarHBondContact O-N 2.88Å; I346-K349 PolarHBondContact O-N 3.45Å; V347-K349 VanDerWaalsContact C-N 3.34Å; V347-K349 PolarHBondContact O-N 2.72Å; K349-R351 VanDerWaalsContact C-N 3.35Å; K349-R351 PolarHBondContact O-N 3.25Å; K349-L352 PolarHBondContact O-N 2.73Å; K349-E353 WeakPolarHBondContact CE-OE1 3.41Å; K349-E353 IonicContact NZ-OE1 3.47Å; K349-E353 WeakPolarHBondContact O-CG 3.35Å; K349-E353 PolarHBondContact O-N 3.26Å
350	R	77.3	Confident	71.9	Confident	54 Å²	54	79.2 Å²	79.2	20%	0.204	43%	0.427	C	S	.	.	H	α-helix	trans	-62.3	-39.2	177	-72.7	-175.7	-179.9	175.3	3.9	112.4	D254 I255 V256 D285 L324 I346 V347 L352 E353 A354	D254-R350 WeakPolarHBondContact O-CD 3.33Å; D254-R350 PolarHBondContact O-NH1 3.28Å; I255-R350 VanDerWaalsContact C-NH1 3.27Å; I255-R350 PolarHBondContact O-NH1 2.66Å; V256-R350 VanDerWaalsContact CG2-NH1 3.34Å; D285-R350 IonicContact OD1-NH2 3.36Å; D285-R350 PolarHBondContact OD1-NH2 3.27Å; D285-R350 IonicContact OD2-NH1 3.5Å; D285-R350 IonicContact OD2-NH2 2.65Å; L324-R350 VanDerWaalsContact CD1-NH2 3.31Å; I346-R350 WeakPolarHBondContact O-CG 3.34Å; I346-R350 PolarHBondContact O-N 2.87Å; V347-R350 PolarHBondContact O-N 2.73Å; R350-L352 PolarHBondContact O-N 3.19Å; R350-E353 PolarHBondContact O-N 3.4Å; R350-A354 WeakPolarHBondContact O-CB 3.35Å; R350-A354 PolarHBondContact O-N 3.15Å
351	R	76.1	Confident	72.3	Confident	102 Å²	102	83.2 Å²	83.2	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-39.4	174.9	-74.5	-179.4	-178.7	-174.7	2.7	112.4	D215 V347 S348 K349 A355	D215-R351 IonicContact OD1-CZ 3.66Å; D215-R351 IonicContact OD1-NE 3.89Å; D215-R351 IonicContact OD1-NH2 2.69Å; D215-R351 PolarHBondContact OD1-NH2 3.3Å; D215-R351 IonicContact OD2-NH2 3.94Å; V347-R351 HydrophobicContact CG1-CG 4.39Å; V347-R351 WeakPolarHBondContact O-CG 3.41Å; V347-R351 PolarHBondContact O-N 2.9Å; S348-R351 PolarHBondContact O-N 3Å; K349-R351 VanDerWaalsContact C-N 3.35Å; K349-R351 PolarHBondContact O-N 3.25Å; R351-A355 WeakPolarHBondContact O-CB 3.29Å; R351-A355 PolarHBondContact O-N 3.27Å
352	L	73.7	Confident	73	Confident	123 Å²	123	80.8 Å²	80.8	64%	0.644	45%	0.445	S	S	*	.	H	α-helix	trans	-68.5	-40.3	176.4	-69.5	169.6	0	0	0	111.9	S348 K349 R350 A355 S356	S348-L352 WeakPolarHBondContact O-CG 3.39Å; S348-L352 PolarHBondContact O-N 2.95Å; K349-L352 PolarHBondContact O-N 2.73Å; R350-L352 PolarHBondContact O-N 3.19Å; L352-A355 PolarHBondContact O-N 2.72Å; L352-S356 PolarHBondContact O-N 2.92Å; L352-S356 PolarHBondContact O-OG 3.45Å
353	E	74.5	Confident	73.4	Confident	113 Å²	113	79.7 Å²	79.7	53%	0.528	45%	0.447	S	S	.	.	H	α-helix	trans	-65.8	-35.2	176.1	-72.6	171.4	177.4	0	0	112.4	K349 R350	K349-E353 WeakPolarHBondContact CE-OE1 3.41Å; K349-E353 IonicContact NZ-OE1 3.47Å; K349-E353 WeakPolarHBondContact O-CG 3.35Å; K349-E353 PolarHBondContact O-N 3.26Å; R350-E353 PolarHBondContact O-N 3.4Å
354	A	71.8	Confident	73.5	Confident	82 Å²	82	85.8 Å²	85.8	68%	0.678	48%	0.48	S	S	*	.	H	α-helix	trans	-76.8	-20.4	177	0	0	0	0	0	114	R350	R350-A354 WeakPolarHBondContact O-CB 3.35Å; R350-A354 PolarHBondContact O-N 3.15Å
355	A	69.4	Low	73.7	Confident	88 Å²	88	86.1 Å²	86.1	73%	0.727	49%	0.491	S	S	*	.	H	α-helix	trans	-91.9	-11.5	178.7	0	0	0	0	0	113.5	R351 L352	R351-A355 WeakPolarHBondContact O-CB 3.29Å; R351-A355 PolarHBondContact O-N 3.27Å; L352-A355 PolarHBondContact O-N 2.72Å
356	S	58.5	Low	73.5	Confident	154 Å²	154	85 Å²	85	100%	1.077	49%	0.488	S	S	*	.			trans	-93.3	0	175.7	-54.2	0	0	0	0	110.1	L352	L352-S356 PolarHBondContact O-N 2.92Å; L352-S356 PolarHBondContact O-OG 3.45Å

Retrieved 356 of 356 residues in 336.4 ms (Link to these results)

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