A0A077Z3Z7_TRITR Loading...

GDA1 CD39 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3Z7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	32.1	Very low	246 Å²	246	176.7 Å²	176.7	100%	1.212	85%	0.853	S	S	*	*				0	131.6	0	-81	173.2	162.1	0	0	108.7
2	T	36.7	Very low	32.3	Very low	133 Å²	133	175.1 Å²	175.1	82%	0.816	85%	0.849	S	S	*	*			trans	-14.1	123	177.8	52.2	0	0	0	0	119
3	A	34.2	Very low	32.3	Very low	108 Å²	108	180.2 Å²	180.2	89%	0.893	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-90.9	122.6	164.2	0	0	0	0	0	110.1
4	R	35.8	Very low	32.1	Very low	228 Å²	228	178.9 Å²	178.9	86%	0.86	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-89	156.4	175.9	-82.3	-176.9	178	-179.5	-0.3	111.2
5	P	37.8	Very low	32.4	Very low	126 Å²	126	177.9 Å²	177.9	82%	0.818	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-88.4	152.5	-167.6	35.3	-33.6	0	0	0	113.7
6	V	34.4	Very low	32.9	Very low	130 Å²	130	173.3 Å²	173.3	79%	0.788	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-87.2	117	-178.6	175.6	0	0	0	0	110.2
7	E	27.8	Very low	33.6	Very low	153 Å²	153	170.1 Å²	170.1	72%	0.715	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.9	131.4	162.1	-75.4	-166.1	163.5	0	0	110.3	R9	E7-R9 IonicContact OE2-NE 2.59Å
8	M	28	Very low	34.1	Very low	163 Å²	163	170.6 Å²	170.6	80%	0.803	83%	0.833	S	S	*	*			trans	-112.7	108.4	159.1	-85.3	-170.6	-171	0	0	109.6
9	R	26	Very low	34.6	Very low	202 Å²	202	170.3 Å²	170.3	76%	0.762	83%	0.834	S	S	*	*			trans	-87.4	127.7	168	-72.7	176.8	175.4	-164.1	-6.4	109.3	E7	E7-R9 IonicContact OE2-NE 2.59Å
10	W	29.9	Very low	35.2	Very low	221 Å²	221	165.8 Å²	165.8	84%	0.837	82%	0.82	S	S	*	*			trans	-122.9	119.9	159	-76.1	92	0	0	0	109.6
11	R	25.3	Very low	35.7	Very low	234 Å²	234	162.7 Å²	162.7	88%	0.883	81%	0.81	S	S	*	*			trans	-96.8	120.9	168.6	-76.6	-179.6	168.8	-171.8	-3.4	107.7
12	I	34.3	Very low	36.4	Very low	157 Å²	157	155.8 Å²	155.8	81%	0.805	78%	0.782	S	S	*	*			trans	-136.4	142.8	159.6	-63.3	-175.3	0	0	0	110.1
13	R	32.9	Very low	37.1	Very low	241 Å²	241	151.5 Å²	151.5	91%	0.909	76%	0.764	S	S	*	*			trans	-74.2	152.6	-159.9	-70.6	171.7	168	174.1	-4.9	114.8
14	I	29.7	Very low	38	Very low	163 Å²	163	152.8 Å²	152.8	84%	0.836	75%	0.75	S	S	*	*			trans	-70.5	130.5	172.9	-61.5	160.8	0	0	0	110.4
15	L	36	Very low	38.9	Very low	163 Å²	163	146.3 Å²	146.3	85%	0.853	74%	0.736	S	S	*	*			trans	-147.6	157.6	160.5	-132.1	88.6	0	0	0	108
16	P	41.2	Very low	39.9	Very low	104 Å²	104	148.4 Å²	148.4	68%	0.675	73%	0.732	S	S	*	*				-105.3	149.2	-104.6	18.4	0.8	0	0	0	114.5	F18	P16-F18 PolarHBondContact O-N 3.16Å
17	T	44.1	Very low	41.1	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	71%	0.714	S	S	*	*			trans	-68	84.4	177.3	45.6	0	0	0	0	113.5
18	F	42.4	Very low	42.7	Very low	179 Å²	179	140 Å²	140	79%	0.785	70%	0.698	S	S	*	*	S	Bend	trans	-143.8	-4.3	161.9	-94.8	-73.5	0	0	0	117	P16	P16-F18 PolarHBondContact O-N 3.16Å
19	L	43.2	Very low	44.3	Very low	165 Å²	165	134.7 Å²	134.7	86%	0.864	68%	0.681	S	S	*	*	S	Bend	trans	-110.6	3.8	176.9	-83.1	150.1	0	0	0	114.4
20	C	46.4	Very low	46	Very low	80 Å²	80	130.4 Å²	130.4	54%	0.541	67%	0.672	S	S	.	*	S	Bend	trans	-97.7	-15.9	-177	-145.9	0	0	0	0	114	T22 G23 F24	C20-T22 PolarHBondContact O-N 3.06Å; C20-G23 PolarHBondContact O-N 2.66Å; C20-F24 WeakPolarHBondContact O-CB 3.23Å; C20-F24 PolarHBondContact O-N 3.21Å
21	T	47.2	Very low	47.5	Very low	100 Å²	100	122.8 Å²	122.8	61%	0.613	65%	0.652	S	S	*	*	H	α-helix	trans	-71.3	-30.9	-173.7	50.2	0	0	0	0	113.4
22	T	50.3	Low	48.8	Very low	102 Å²	102	118.5 Å²	118.5	63%	0.626	64%	0.64	S	S	*	*	H	α-helix	trans	-81.4	-29.5	175.6	54.4	0	0	0	0	112.8	C20 T25	C20-T22 PolarHBondContact O-N 3.06Å; T22-T25 PolarHBondContact O-OG1 3.09Å
23	G	52.1	Low	49.7	Very low	43 Å²	43	117.3 Å²	117.3	44%	0.443	63%	0.634	S	S	.	*	H	α-helix	trans	-71.3	-36.8	173.3	0	0	0	0	0	112.9	C20 F26 A27	C20-G23 PolarHBondContact O-N 2.66Å; G23-F26 PolarHBondContact O-N 2.78Å; G23-A27 WeakPolarHBondContact O-CB 3.28Å; G23-A27 PolarHBondContact O-N 3.36Å
24	F	53.5	Low	50.5	Low	134 Å²	134	111.8 Å²	111.8	59%	0.588	62%	0.622	S	S	*	*	H	α-helix	trans	-70.8	-33.7	-178.5	-120	-91.7	0	0	0	113.4	C20 A27 C28	C20-F24 WeakPolarHBondContact O-CB 3.23Å; C20-F24 PolarHBondContact O-N 3.21Å; F24-A27 PolarHBondContact O-N 2.95Å; F24-C28 VanDerWaalsContact O-CB 3.3Å; F24-C28 WeakPolarHBondContact O-CB 3.25Å; F24-C28 PolarHBondContact O-N 3.23Å; F24-C28 PolarHBondContact O-SG 3.37Å
25	T	55.2	Low	51.5	Low	92 Å²	92	112.2 Å²	112.2	56%	0.564	62%	0.618	S	S	*	*	H	α-helix	trans	-70.4	-38.2	177	52.5	0	0	0	0	111.6	T22 A29	T22-T25 PolarHBondContact O-OG1 3.09Å; T25-A29 WeakPolarHBondContact O-CB 3.48Å; T25-A29 PolarHBondContact O-N 3.17Å
26	F	57	Low	51.8	Low	171 Å²	171	108.5 Å²	108.5	75%	0.75	61%	0.606	S	S	*	*	H	α-helix	trans	-67.6	-40.8	173.7	-114.8	-87	0	0	0	112.3	G23 A29 L30	G23-F26 PolarHBondContact O-N 2.78Å; F26-A29 PolarHBondContact O-N 3.08Å; F26-L30 WeakPolarHBondContact O-CB 3.03Å; F26-L30 PolarHBondContact O-N 3.32Å
27	A	61.1	Low	51.8	Low	50 Å²	50	108.4 Å²	108.4	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-66.8	-39.5	176.2	0	0	0	0	0	112.4	G23 F24 L30 C31	G23-A27 WeakPolarHBondContact O-CB 3.28Å; G23-A27 PolarHBondContact O-N 3.36Å; F24-A27 PolarHBondContact O-N 2.95Å; A27-L30 PolarHBondContact O-N 3Å; A27-C31 WeakPolarHBondContact O-CB 3.47Å; A27-C31 PolarHBondContact O-N 3.48Å; A27-C31 PolarHBondContact O-SG 3.38Å; A27-C31 VanDerWaalsContact O-SG 3.41Å
28	C	61.9	Low	51.6	Low	55 Å²	55	107.6 Å²	107.6	37%	0.372	60%	0.6	S	S	.	*	H	α-helix	trans	-67.7	-41.3	175.5	-80.1	0	0	0	0	112.2	F24 L30 C31 F32	F24-C28 VanDerWaalsContact O-CB 3.3Å; F24-C28 WeakPolarHBondContact O-CB 3.25Å; F24-C28 PolarHBondContact O-N 3.23Å; F24-C28 PolarHBondContact O-SG 3.37Å; C28-L30 VanDerWaalsContact C-N 3.34Å; C28-L30 PolarHBondContact O-N 3.28Å; C28-C31 PolarHBondContact O-N 2.67Å; C28-F32 VanDerWaalsContact O-CD2 3.28Å; C28-F32 WeakPolarHBondContact O-CD2 3.26Å; C28-F32 PolarHBondContact O-N 2.99Å
29	A	59.9	Low	51.4	Low	53 Å²	53	110.7 Å²	110.7	44%	0.438	61%	0.607	S	S	.	*	H	α-helix	trans	-63.9	-39.6	176.2	0	0	0	0	0	111.9	T25 F26 F32 L33	T25-A29 WeakPolarHBondContact O-CB 3.48Å; T25-A29 PolarHBondContact O-N 3.17Å; F26-A29 PolarHBondContact O-N 3.08Å; A29-F32 PolarHBondContact O-N 2.61Å; A29-L33 WeakPolarHBondContact O-CG 2.82Å; A29-L33 PolarHBondContact O-N 2.87Å
30	L	62.8	Low	51	Low	111 Å²	111	107.2 Å²	107.2	58%	0.581	60%	0.596	S	S	*	*	H	α-helix	trans	-66	-41.1	174.2	-156.2	80.3	0	0	0	111.5	F26 A27 C28 L33 L34	F26-L30 WeakPolarHBondContact O-CB 3.03Å; F26-L30 PolarHBondContact O-N 3.32Å; A27-L30 PolarHBondContact O-N 3Å; C28-L30 VanDerWaalsContact C-N 3.34Å; C28-L30 PolarHBondContact O-N 3.28Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-L34 HydrophobicContact CG-CD1 4.31Å; L30-L34 WeakPolarHBondContact O-CB 3.07Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 2.75Å
31	C	60.4	Low	50.4	Low	61 Å²	61	108.7 Å²	108.7	41%	0.412	61%	0.605	S	S	.	*	H	α-helix	trans	-64.6	-44.2	174.5	-79.8	0	0	0	0	112.2	A27 C28 L33 L34 F35	A27-C31 WeakPolarHBondContact O-CB 3.47Å; A27-C31 PolarHBondContact O-N 3.48Å; A27-C31 PolarHBondContact O-SG 3.38Å; A27-C31 VanDerWaalsContact O-SG 3.41Å; C28-C31 PolarHBondContact O-N 2.67Å; C31-L33 VanDerWaalsContact C-N 3.31Å; C31-L33 PolarHBondContact O-N 3.29Å; C31-L34 CarbonylContact O-C 3.5Å; C31-L34 PolarHBondContact O-N 3.31Å; C31-L34 VanDerWaalsContact O-N 3.12Å; C31-F35 HydrophobicContact CB-CD2 4.23Å; C31-F35 HydrophobicContact CB-CE2 4.41Å; C31-F35 WeakPolarHBondContact O-CB 3.38Å; C31-F35 WeakPolarHBondContact O-CD2 3.42Å; C31-F35 PolarHBondContact O-N 3.47Å
32	F	52.9	Low	49.7	Very low	145 Å²	145	108.4 Å²	108.4	64%	0.636	61%	0.612	S	S	*	*	H	α-helix	trans	-64.8	-35.4	177.5	-88.1	-75.7	0	0	0	112.1	C28 A29 S36	C28-F32 VanDerWaalsContact O-CD2 3.28Å; C28-F32 WeakPolarHBondContact O-CD2 3.26Å; C28-F32 PolarHBondContact O-N 2.99Å; A29-F32 PolarHBondContact O-N 2.61Å; F32-S36 WeakPolarHBondContact O-CB 3.37Å; F32-S36 PolarHBondContact O-N 3.25Å; F32-S36 PolarHBondContact O-OG 2.98Å
33	L	53.2	Low	49	Very low	131 Å²	131	107 Å²	107	69%	0.686	61%	0.612	S	S	*	*	H	α-helix	trans	-70.1	-31.7	172.3	-73.1	168.9	0	0	0	112.7	A29 L30 C31	A29-L33 WeakPolarHBondContact O-CG 2.82Å; A29-L33 PolarHBondContact O-N 2.87Å; L30-L33 PolarHBondContact O-N 3.33Å; C31-L33 VanDerWaalsContact C-N 3.31Å; C31-L33 PolarHBondContact O-N 3.29Å
34	L	51	Low	48.2	Very low	125 Å²	125	112.5 Å²	112.5	65%	0.654	63%	0.63	S	S	*	*	H	α-helix	trans	-78	-27.4	175.5	-70.8	170.1	0	0	0	113.6	L30 C31	L30-L34 HydrophobicContact CG-CD1 4.31Å; L30-L34 WeakPolarHBondContact O-CB 3.07Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 2.75Å; C31-L34 CarbonylContact O-C 3.5Å; C31-L34 PolarHBondContact O-N 3.31Å; C31-L34 VanDerWaalsContact O-N 3.12Å
35	F	48.8	Very low	47.2	Very low	172 Å²	172	115 Å²	115	75%	0.754	64%	0.643	S	S	*	*	H	α-helix	trans	-98.4	-13.3	-178.9	-74.6	-70.5	0	0	0	114.6	C31	C31-F35 HydrophobicContact CB-CD2 4.23Å; C31-F35 HydrophobicContact CB-CE2 4.41Å; C31-F35 WeakPolarHBondContact O-CB 3.38Å; C31-F35 WeakPolarHBondContact O-CD2 3.42Å; C31-F35 PolarHBondContact O-N 3.47Å
36	S	42.5	Very low	46.3	Very low	85 Å²	85	114.3 Å²	114.3	59%	0.594	65%	0.647	S	S	*	*	S	Bend	trans	-94.1	0.2	178.5	-50.5	0	0	0	0	114	F32 P38	F32-S36 WeakPolarHBondContact O-CB 3.37Å; F32-S36 PolarHBondContact O-N 3.25Å; F32-S36 PolarHBondContact O-OG 2.98Å; S36-P38 WeakPolarHBondContact O-CD 3.29Å
37	V	42.9	Very low	45.5	Very low	103 Å²	103	109.7 Å²	109.7	62%	0.624	64%	0.636	S	S	*	*	S	Bend	trans	-76.5	117.7	164.8	-177.2	0	0	0	0	106.8	R39	V37-R39 PolarHBondContact O-N 3.03Å
38	P	39.8	Very low	44.5	Very low	103 Å²	103	112.8 Å²	112.8	67%	0.669	65%	0.654	S	S	*	*			trans	-53.6	118.2	171.9	-18.9	30	0	0	0	107.2	S36 S40	S36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-S40 PolarHBondContact O-N 3.44Å
39	R	36.6	Very low	43.6	Very low	243 Å²	243	115.3 Å²	115.3	92%	0.917	66%	0.664	S	S	*	*			trans	-70.8	62.4	168.4	-151.8	178	-168.9	160.7	1.7	107	V37	V37-R39 PolarHBondContact O-N 3.03Å
40	S	35.2	Very low	43.1	Very low	92 Å²	92	120.8 Å²	120.8	64%	0.643	68%	0.681	S	S	*	*			trans	-51	125.7	155.2	-69.6	0	0	0	0	104.3	P38 A42	P38-S40 PolarHBondContact O-N 3.44Å; S40-A42 PolarHBondContact O-N 3.05Å
41	P	35.3	Very low	42.4	Very low	112 Å²	112	124 Å²	124	73%	0.727	69%	0.693	S	S	*	*			trans	-53.7	115.7	174.4	22.1	-29.9	0	0	0	104.9	A43	P41-A43 PolarHBondContact O-N 2.81Å
42	A	32.4	Very low	42.3	Very low	93 Å²	93	123 Å²	123	77%	0.769	68%	0.684	S	S	*	*			trans	-60.5	74.3	144.9	0	0	0	0	0	104.5	S40 L44	S40-A42 PolarHBondContact O-N 3.05Å; A42-L44 PolarHBondContact O-N 3.45Å
43	A	35.7	Very low	43.3	Very low	74 Å²	74	118.9 Å²	118.9	61%	0.612	68%	0.678	S	S	*	*				-42.2	91	123.6	0	0	0	0	0	103.3	P41 H45	P41-A43 PolarHBondContact O-N 2.81Å; A43-H45 PolarHBondContact O-N 2.78Å
44	L	34.8	Very low	44.9	Very low	157 Å²	157	112.8 Å²	112.8	82%	0.822	65%	0.647	S	S	*	*			trans	-29.7	109.9	140.4	-83.4	148.3	0	0	0	103.1	A42 A46	A42-L44 PolarHBondContact O-N 3.45Å; L44-A46 PolarHBondContact O-N 3.39Å
45	H	31.9	Very low	46.9	Very low	186 Å²	186	108.9 Å²	108.9	86%	0.861	63%	0.628	S	S	*	*			trans	-51.5	94.3	161.2	-80.7	-58.2	0	0	0	102.7	A43 S47	A43-H45 PolarHBondContact O-N 2.78Å; H45-S47 PolarHBondContact O-N 3.04Å
46	A	37	Very low	49.1	Very low	78 Å²	78	101.2 Å²	101.2	65%	0.645	59%	0.594	S	S	*	*			trans	-49.9	100.6	153.2	0	0	0	0	0	100.1	L44 S48	L44-A46 PolarHBondContact O-N 3.39Å; A46-S48 PolarHBondContact O-N 3.49Å; A46-S48 VanDerWaalsContact O-N 3.16Å
47	S	38.7	Very low	51.7	Low	75 Å²	75	98.4 Å²	98.4	52%	0.524	57%	0.571	S	S	.	*			trans	-46.7	133.5	-178.3	59.3	0	0	0	0	104.9	H45 N49	H45-S47 PolarHBondContact O-N 3.04Å; S47-N49 PolarHBondContact O-N 2.92Å
48	S	41.5	Very low	54.3	Low	114 Å²	114	93.5 Å²	93.5	80%	0.797	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-56.5	16.5	176.4	41.8	0	0	0	0	114.6	A46 E50	A46-S48 PolarHBondContact O-N 3.49Å; A46-S48 VanDerWaalsContact O-N 3.16Å; S48-E50 PolarHBondContact O-N 3.27Å
49	N	42.9	Very low	57.1	Low	109 Å²	109	88.6 Å²	88.6	58%	0.583	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-70.4	0.9	164.6	-84.3	-4.2	0	0	0	114.4	S47 Q51 T52	S47-N49 PolarHBondContact O-N 2.92Å; N49-Q51 PolarHBondContact O-N 2.97Å; N49-Q51 VanDerWaalsContact O-N 3.15Å; N49-T52 PolarHBondContact O-N 3.4Å; N49-T52 PolarHBondContact O-OG1 3.3Å
50	E	48.1	Very low	60	Low	168 Å²	168	77 Å²	77	79%	0.785	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-65.8	-14.1	176.3	-144	166.4	-155.6	0	0	113.2	S48 T52	S48-E50 PolarHBondContact O-N 3.27Å; E50-T52 VanDerWaalsContact C-N 3.34Å; E50-T52 PolarHBondContact O-N 2.92Å
51	Q	49.1	Very low	63	Low	179 Å²	179	72.7 Å²	72.7	84%	0.836	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-79.4	-4.5	174.6	-92.1	176.9	0.2	0	0	115.3	N49	N49-Q51 PolarHBondContact O-N 2.97Å; N49-Q51 VanDerWaalsContact O-N 3.15Å
52	T	57.3	Low	66	Low	38 Å²	38	68 Å²	68	23%	0.233	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-90.1	-16.7	-178.4	65.5	0	0	0	0	114	N49 E50 R79	N49-T52 PolarHBondContact O-N 3.4Å; N49-T52 PolarHBondContact O-OG1 3.3Å; E50-T52 VanDerWaalsContact C-N 3.34Å; E50-T52 PolarHBondContact O-N 2.92Å; T52-R79 VanDerWaalsContact O-CB 3.28Å; T52-R79 WeakPolarHBondContact O-CB 3.37Å; T52-R79 VanDerWaalsContact O-CG 3.23Å; T52-R79 WeakPolarHBondContact O-CG 3.36Å; T52-R79 PolarHBondContact O-N 2.89Å
53	A	73.9	Confident	69.1	Low	60 Å²	60	63.6 Å²	63.6	50%	0.496	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.8	-177.5	0	0	0	0	0	111.6	Y77	A53-Y77 WeakPolarHBondContact CA-O 3.43Å
54	G	88.3	Confident	71.9	Confident	3 Å²	3	60.4 Å²	60.4	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	154	169	0	0	0	0	0	111.6	Y77	G54-Y77 PolarHBondContact N-O 3.18Å; G54-Y77 VanDerWaalsContact O-CD1 3.32Å; G54-Y77 WeakPolarHBondContact O-CD1 3.28Å; G54-Y77 PolarHBondContact O-N 3.11Å
55	V	92.7	Very high	74.7	Confident	43 Å²	43	54.3 Å²	54.3	26%	0.261	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.3	175.3	-178.3	0	0	0	0	108.5	Y57 R74	V55-Y57 HydrophobicContact CG1-CD2 4.4Å; V55-Y57 HydrophobicContact CG1-CE2 3.78Å; V55-R74 HydrophobicContact CG1-CG 3.83Å
56	H	95	Very high	77.5	Confident	11 Å²	11	48 Å²	48	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.2	172.9	-169.7	92.9	0	0	0	109.4	C75 Y77 Q139 S141 L538	H56-C75 HydrophobicContact CB-CB 4.17Å; H56-C75 PolarHBondContact N-O 3.46Å; H56-C75 PolarHBondContact O-N 3.5Å; H56-Y77 HydrophobicContact CB-CD1 4.35Å; H56-Y77 HydrophobicContact CB-CE1 4.03Å; H56-Q139 PolarHBondContact CE1-O 2.86Å; H56-Q139 PolarHBondContact ND1-O 3.34Å; H56-Q139 PolarHBondContact NE2-O 2.76Å; H56-S141 PolarHBondContact CE1-OG 2.85Å; H56-S141 PolarHBondContact NE2-OG 2.98Å; H56-L538 HydrophobicContact CB-CD1 3.66Å; H56-L538 HydrophobicContact CB-CD2 4.31Å
57	Y	97.1	Very high	80.2	Confident	25 Å²	25	44.3 Å²	44.3	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.8	174.9	-64.8	-93.7	0	0	0	109.9	V55 Y73 R74 L91 P133 N136 T140 S141	V55-Y57 HydrophobicContact CG1-CD2 4.4Å; V55-Y57 HydrophobicContact CG1-CE2 3.78Å; Y57-Y73 WeakPolarHBondContact CA-O 3.33Å; Y57-R74 HydrophobicContact CD1-CB 4.47Å; Y57-R74 HydrophobicContact CE1-CB 4.33Å; Y57-R74 HydrophobicContact CE1-CG 4.25Å; Y57-L91 HydrophobicContact CE1-CD1 4.07Å; Y57-L91 HydrophobicContact CE1-CD2 4.5Å; Y57-P133 HydrophobicContact CE2-CG 4.11Å; Y57-N136 HydrophobicContact CD2-CB 3.73Å; Y57-N136 HydrophobicContact CE2-CB 3.84Å; Y57-T140 WeakPolarHBondContact O-CA 3.39Å; Y57-T140 WeakPolarHBondContact O-CG2 3.37Å; Y57-S141 PolarHBondContact O-N 3.49Å
58	A	97.4	Very high	83	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.2	175.4	0	0	0	0	0	110	I72 Y73 S141 F143 V531 L535	A58-I72 WeakPolarHBondContact O-CA 3.29Å; A58-Y73 PolarHBondContact N-O 2.97Å; A58-Y73 PolarHBondContact O-N 3.47Å; A58-S141 CarbonylContact C-O 3.59Å; A58-S141 WeakPolarHBondContact CA-O 3.36Å; A58-F143 HydrophobicContact CB-CE2 4.38Å; A58-V531 HydrophobicContact CB-CG1 3.98Å; A58-V531 HydrophobicContact CB-CG2 4.04Å; A58-L535 HydrophobicContact CB-CD1 3.9Å
59	V	98.1	Very high	85.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.8	167.2	-180	0	0	0	0	107.5	L70 A128 I132 T140 S141 L142 F143 F175	V59-L70 HydrophobicContact CG1-CD1 3.67Å; V59-L70 HydrophobicContact CG1-CD2 4.18Å; V59-L70 HydrophobicContact CG1-CG 3.83Å; V59-A128 HydrophobicContact CG1-CB 4.18Å; V59-A128 HydrophobicContact CG2-CB 4.08Å; V59-I132 HydrophobicContact CG2-CD1 3.61Å; V59-T140 HydrophobicContact CG2-CG2 3.94Å; V59-S141 PolarHBondContact N-O 2.95Å; V59-L142 HydrophobicContact CB-CD1 3.94Å; V59-L142 HydrophobicContact CG1-CD1 3.7Å; V59-L142 CarbonylContact O-C 3.33Å; V59-L142 WeakPolarHBondContact O-CA 3.23Å; V59-F143 PolarHBondContact O-N 3.48Å; V59-F175 HydrophobicContact CG2-CZ 4.43Å
60	V	98.1	Very high	88.2	Confident	1 Å²	1	33 Å²	33	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.3	178.2	-173.5	0	0	0	0	109.6	L70 Y71 Y73 F143 T527 V531	V60-L70 WeakPolarHBondContact O-CA 3.13Å; V60-Y71 PolarHBondContact N-O 3.22Å; V60-Y71 PolarHBondContact O-N 3.15Å; V60-Y73 HydrophobicContact CG2-CD2 4.21Å; V60-Y73 HydrophobicContact CG2-CE2 4.35Å; V60-F143 CarbonylContact C-O 3.58Å; V60-F143 HydrophobicContact CB-CB 4.45Å; V60-F143 HydrophobicContact CG1-CB 4.19Å; V60-F143 HydrophobicContact CG2-CB 4.21Å; V60-F143 HydrophobicContact CG2-CD2 3.96Å; V60-F143 HydrophobicContact CG2-CG 4.43Å; V60-T527 HydrophobicContact CG1-CG2 3.71Å; V60-V531 HydrophobicContact CG2-CG2 3.34Å
61	V	98.2	Very high	90.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.9	168.1	-174.2	0	0	0	0	109	A63 R69 L70 M121 L124 I125 F143 V144 L145	V61-A63 PolarHBondContact O-N 3.34Å; V61-R69 CarbonylContact C-O 3.49Å; V61-R69 WeakPolarHBondContact CA-O 3.44Å; V61-L70 HydrophobicContact CG2-CB 4.22Å; V61-L70 HydrophobicContact CG2-CD1 4Å; V61-L70 HydrophobicContact CG2-CG 4.21Å; V61-M121 HydrophobicContact CB-SD 4.22Å; V61-M121 HydrophobicContact CG1-CE 4.13Å; V61-M121 HydrophobicContact CG1-SD 3.74Å; V61-M121 HydrophobicContact CG2-SD 4.13Å; V61-L124 HydrophobicContact CG1-CD2 3.78Å; V61-L124 HydrophobicContact CG2-CD2 4.47Å; V61-I125 HydrophobicContact CG2-CG1 4.07Å; V61-F143 PolarHBondContact N-O 3.26Å; V61-V144 HydrophobicContact CB-CG1 4.44Å; V61-V144 HydrophobicContact CB-CG2 4.2Å; V61-V144 HydrophobicContact CG2-CG2 4.22Å; V61-L145 PolarHBondContact O-N 3.01Å
62	D	97.5	Very high	92.8	Very high	13 Å²	13	17.4 Å²	17.4	7%	0.07	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	105.5	159	166	22.4	0	0	0	107.9	G64 S68 R69 Y71 W526 T527	D62-G64 VanDerWaalsContact C-N 3.29Å; D62-G64 PolarHBondContact O-N 2.77Å; D62-G64 PolarHBondContact OD1-N 2.94Å; D62-S68 CarbonylContact O-C 3.34Å; D62-S68 WeakPolarHBondContact O-CA 3.39Å; D62-R69 PolarHBondContact N-O 3.19Å; D62-R69 PolarHBondContact O-N 2.88Å; D62-Y71 HydrophobicContact CB-CE2 4.5Å; D62-W526 HydrophobicContact CB-CH2 4.33Å; D62-W526 HydrophobicContact CB-CZ2 3.68Å; D62-W526 WeakPolarHBondContact OD1-CZ2 3.44Å; D62-T527 HydrophobicContact CB-CG2 3.83Å
63	A	97.7	Very high	94.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	71.7	173.6	0	0	0	0	0	110.1	V61 L107 M121 L145 A146 T147	V61-A63 PolarHBondContact O-N 3.34Å; A63-L107 HydrophobicContact CB-CB 3.98Å; A63-L107 HydrophobicContact CB-CD2 3.73Å; A63-L107 HydrophobicContact CB-CG 4.5Å; A63-M121 HydrophobicContact CB-CE 4.4Å; A63-L145 PolarHBondContact N-O 3.38Å; A63-A146 HydrophobicContact CB-CB 3.94Å; A63-T147 PolarHBondContact O-N 3.14Å
64	G	94.5	Very high	95.7	Very high	8 Å²	8	16.6 Å²	16.6	8%	0.082	9%	0.086	C	C	.	.			trans	-69.3	164.3	-178.3	0	0	0	0	0	115.4	D62 G67 G106 T147	D62-G64 VanDerWaalsContact C-N 3.29Å; D62-G64 PolarHBondContact O-N 2.77Å; D62-G64 PolarHBondContact OD1-N 2.94Å; G64-G67 CarbonylContact C-O 3.49Å; G64-G67 VanDerWaalsContact CA-O 3.27Å; G64-G67 WeakPolarHBondContact CA-O 3.42Å; G64-G67 PolarHBondContact N-O 2.97Å; G64-G67 PolarHBondContact O-N 2.99Å; G64-G106 VanDerWaalsContact O-CA 3.31Å; G64-G106 WeakPolarHBondContact O-CA 3.29Å; G64-T147 WeakPolarHBondContact CA-OG1 3.11Å
65	S	92.9	Very high	96.1	Very high	29 Å²	29	16.5 Å²	16.5	20%	0.203	8%	0.084	C	C	.	.	S	Bend	trans	-66.3	-37.2	-178.4	57.5	0	0	0	0	114.2	A238	S65-A238 PolarHBondContact OG-N 2.92Å
66	S	90.9	Very high	96	Very high	54 Å²	54	16.6 Å²	16.6	38%	0.378	8%	0.084	S	C	.	.	S	Bend	trans	-88.1	-20.6	179.2	-51.6	0	0	0	0	113.5	N104 G106 N289	S66-N104 PolarHBondContact O-OD1 3.48Å; S66-G106 PolarHBondContact O-N 2.93Å; S66-N289 PolarHBondContact OG-ND2 3.03Å
67	G	94.7	Very high	95.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.			trans	172.1	169.8	-175.5	0	0	0	0	0	111.1	G64 R69 K103	G64-G67 CarbonylContact C-O 3.49Å; G64-G67 VanDerWaalsContact CA-O 3.27Å; G64-G67 WeakPolarHBondContact CA-O 3.42Å; G64-G67 PolarHBondContact N-O 2.97Å; G64-G67 PolarHBondContact O-N 2.99Å; G67-R69 PolarHBondContact O-NH1 3.35Å; G67-K103 CarbonylContact C-O 3.53Å; G67-K103 VanDerWaalsContact CA-O 3.26Å; G67-K103 WeakPolarHBondContact CA-O 3.3Å
68	S	97.2	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	144.2	178.2	-48.9	0	0	0	0	111.7	D62 K102 K103 Y120	D62-S68 CarbonylContact O-C 3.34Å; D62-S68 WeakPolarHBondContact O-CA 3.39Å; S68-K102 WeakPolarHBondContact O-CA 3.46Å; S68-K103 PolarHBondContact N-O 2.79Å; S68-K103 PolarHBondContact O-N 3.29Å; S68-Y120 WeakPolarHBondContact CB-OH 3.41Å; S68-Y120 PolarHBondContact N-OH 2.85Å; S68-Y120 WeakPolarHBondContact OG-CE1 3.46Å; S68-Y120 PolarHBondContact OG-OH 2.65Å
69	R	96.1	Very high	93.6	Very high	60 Å²	60	26.3 Å²	26.3	23%	0.226	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.8	176.4	-70.7	89.4	178.8	138.8	8.1	110.1	V61 D62 G67 Y71 K101 K102	V61-R69 CarbonylContact C-O 3.49Å; V61-R69 WeakPolarHBondContact CA-O 3.44Å; D62-R69 PolarHBondContact N-O 3.19Å; D62-R69 PolarHBondContact O-N 2.88Å; G67-R69 PolarHBondContact O-NH1 3.35Å; R69-Y71 HydrophobicContact CB-CD2 4.4Å; R69-Y71 HydrophobicContact CB-CE2 3.52Å; R69-K101 CarbonylContact C-O 3.58Å; R69-K101 VanDerWaalsContact CA-O 3.3Å; R69-K101 WeakPolarHBondContact CA-O 3.49Å; R69-K102 HydrophobicContact CG-CB 4.32Å; R69-K102 HydrophobicContact CG-CD 4.32Å; R69-K102 HydrophobicContact CG-CG 3.84Å
70	L	97.6	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.5	173.9	-178.8	154	0	0	0	109.4	V59 V60 V61 I72 V100 K101 L124 I125 A128	V59-L70 HydrophobicContact CG1-CD1 3.67Å; V59-L70 HydrophobicContact CG1-CD2 4.18Å; V59-L70 HydrophobicContact CG1-CG 3.83Å; V60-L70 WeakPolarHBondContact O-CA 3.13Å; V61-L70 HydrophobicContact CG2-CB 4.22Å; V61-L70 HydrophobicContact CG2-CD1 4Å; V61-L70 HydrophobicContact CG2-CG 4.21Å; L70-I72 HydrophobicContact CD2-CD1 4.25Å; L70-I72 HydrophobicContact CD2-CG1 3.7Å; L70-V100 WeakPolarHBondContact O-CA 3.4Å; L70-K101 HydrophobicContact CB-CB 4.29Å; L70-K101 PolarHBondContact N-O 2.86Å; L70-K101 PolarHBondContact O-N 3.37Å; L70-L124 HydrophobicContact CB-CD1 4.11Å; L70-L124 HydrophobicContact CB-CD2 4.06Å; L70-L124 HydrophobicContact CB-CG 3.83Å; L70-L124 HydrophobicContact CD1-CG 4.24Å; L70-I125 HydrophobicContact CD1-CG1 4.24Å; L70-A128 HydrophobicContact CD1-CB 4.07Å; L70-A128 HydrophobicContact CD2-CB 4.04Å
71	Y	96.8	Very high	90.3	Very high	17 Å²	17	36.2 Å²	36.2	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147	174	-59	-88.9	0	0	0	109.2	V60 D62 R69 Y73 V100 T527	V60-Y71 PolarHBondContact N-O 3.22Å; V60-Y71 PolarHBondContact O-N 3.15Å; D62-Y71 HydrophobicContact CB-CE2 4.5Å; R69-Y71 HydrophobicContact CB-CD2 4.4Å; R69-Y71 HydrophobicContact CB-CE2 3.52Å; Y71-Y73 HydrophobicContact CG-CE2 4.39Å; Y71-V100 HydrophobicContact CD1-CG1 4.3Å; Y71-V100 HydrophobicContact CD1-CG2 3.8Å; Y71-V100 HydrophobicContact CE1-CB 4.41Å; Y71-V100 HydrophobicContact CE1-CG1 3.81Å; Y71-V100 HydrophobicContact CE1-CG2 3.7Å; Y71-T527 HydrophobicContact CD2-CG2 3.93Å; Y71-T527 HydrophobicContact CE2-CG2 4.15Å
72	I	97.3	Very high	88.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.7	171.7	-48.5	177	0	0	0	107.8	A58 L70 L91 I99 A128 Y131 I132	A58-I72 WeakPolarHBondContact O-CA 3.29Å; L70-I72 HydrophobicContact CD2-CD1 4.25Å; L70-I72 HydrophobicContact CD2-CG1 3.7Å; I72-L91 HydrophobicContact CB-CB 4Å; I72-L91 HydrophobicContact CB-CD2 4.18Å; I72-L91 HydrophobicContact CD1-CD2 4.5Å; I72-L91 HydrophobicContact CG2-CB 3.91Å; I72-L91 HydrophobicContact CG2-CD2 3.57Å; I72-L91 HydrophobicContact CG2-CG 4.41Å; I72-L91 WeakPolarHBondContact O-CB 3.13Å; I72-L91 PolarHBondContact O-N 3.1Å; I72-I99 HydrophobicContact CD1-CG2 3.88Å; I72-I99 HydrophobicContact CG1-CG2 4.34Å; I72-A128 HydrophobicContact CD1-CB 3.82Å; I72-A128 HydrophobicContact CG1-CB 4.35Å; I72-Y131 HydrophobicContact CD1-CD2 4.11Å; I72-Y131 HydrophobicContact CD1-CG 4.34Å; I72-I132 HydrophobicContact CG2-CG1 4.41Å
73	Y	96.8	Very high	87.2	Confident	7 Å²	7	48 Å²	48	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.9	178.5	-64.3	-78.7	0	0	0	110.9	Y57 A58 V60 Y71 V88 S89 T527 L528 V531	Y57-Y73 WeakPolarHBondContact CA-O 3.33Å; A58-Y73 PolarHBondContact N-O 2.97Å; A58-Y73 PolarHBondContact O-N 3.47Å; V60-Y73 HydrophobicContact CG2-CD2 4.21Å; V60-Y73 HydrophobicContact CG2-CE2 4.35Å; Y71-Y73 HydrophobicContact CG-CE2 4.39Å; Y73-V88 HydrophobicContact CD1-CG1 3.87Å; Y73-V88 HydrophobicContact CG-CG1 4Å; Y73-S89 CarbonylContact C-O 3.49Å; Y73-S89 WeakPolarHBondContact CA-O 3.33Å; Y73-T527 PolarHBondContact OH-OG1 3.01Å; Y73-L528 HydrophobicContact CD1-CD1 4.14Å; Y73-L528 HydrophobicContact CE1-CB 4.14Å; Y73-L528 HydrophobicContact CE1-CD1 3.9Å; Y73-L528 PolarHBondContact OH-N 2.94Å; Y73-V531 HydrophobicContact CD2-CG2 3.61Å; Y73-V531 HydrophobicContact CE2-CG2 4.09Å; Y73-V531 HydrophobicContact CG-CG2 4.27Å
74	R	95.9	Very high	86.5	Confident	75 Å²	75	50.6 Å²	50.6	28%	0.283	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.6	168.1	-177.4	174.2	171.1	-75.4	-8.5	108.3	V55 Y57 D76 V88 S89	V55-R74 HydrophobicContact CG1-CG 3.83Å; Y57-R74 HydrophobicContact CD1-CB 4.47Å; Y57-R74 HydrophobicContact CE1-CB 4.33Å; Y57-R74 HydrophobicContact CE1-CG 4.25Å; R74-D76 IonicContact CZ-OD1 2.64Å; R74-D76 IonicContact CZ-OD2 3.52Å; R74-D76 IonicContact NH1-OD1 2.98Å; R74-D76 PolarHBondContact NH1-OD1 2.85Å; R74-D76 IonicContact NH1-OD2 3.72Å; R74-D76 PolarHBondContact NH1-OD2 2.96Å; R74-D76 IonicContact NH2-OD1 3.16Å; R74-D76 PolarHBondContact NH2-OD1 2.85Å; R74-D76 IonicContact NH2-OD2 2.81Å; R74-V88 WeakPolarHBondContact O-CA 3.16Å; R74-S89 PolarHBondContact N-O 3.26Å; R74-S89 PolarHBondContact O-N 3.13Å
75	C	94.8	Very high	86.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111.3	-177.8	-57.5	0	0	0	0	109.2	H56 L86 R87 V531 L538	H56-C75 HydrophobicContact CB-CB 4.17Å; H56-C75 PolarHBondContact N-O 3.46Å; H56-C75 PolarHBondContact O-N 3.5Å; C75-L86 HydrophobicContact CB-CD1 4.22Å; C75-L86 HydrophobicContact CB-CD2 4.19Å; C75-L86 HydrophobicContact CB-CG 4.42Å; C75-R87 CarbonylContact C-O 3.57Å; C75-R87 VanDerWaalsContact CA-O 3.32Å; C75-R87 WeakPolarHBondContact CA-O 3.35Å; C75-V531 WeakPolarHBondContact SG-CG1 3.32Å; C75-L538 HydrophobicContact CB-CD1 4.25Å
76	D	92.2	Very high	86.1	Confident	46 Å²	46	50.5 Å²	50.5	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.1	172	-66.5	-56	0	0	0	109.7	R74 R87	R74-D76 IonicContact CZ-OD1 2.64Å; R74-D76 IonicContact CZ-OD2 3.52Å; R74-D76 IonicContact NH1-OD1 2.98Å; R74-D76 PolarHBondContact NH1-OD1 2.85Å; R74-D76 IonicContact NH1-OD2 3.72Å; R74-D76 PolarHBondContact NH1-OD2 2.96Å; R74-D76 IonicContact NH2-OD1 3.16Å; R74-D76 PolarHBondContact NH2-OD1 2.85Å; R74-D76 IonicContact NH2-OD2 2.81Å; D76-R87 HydrophobicContact CB-CB 4.12Å; D76-R87 PolarHBondContact N-O 2.98Å; D76-R87 PolarHBondContact O-N 2.8Å
77	Y	87.1	Confident	86.2	Confident	33 Å²	33	55.8 Å²	55.8	13%	0.129	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.4	176.6	65.6	-88.1	0	0	0	111	A53 G54 H56 R79 L538 P539	A53-Y77 WeakPolarHBondContact CA-O 3.43Å; G54-Y77 PolarHBondContact N-O 3.18Å; G54-Y77 VanDerWaalsContact O-CD1 3.32Å; G54-Y77 WeakPolarHBondContact O-CD1 3.28Å; G54-Y77 PolarHBondContact O-N 3.11Å; H56-Y77 HydrophobicContact CB-CD1 4.35Å; H56-Y77 HydrophobicContact CB-CE1 4.03Å; Y77-R79 HydrophobicContact CD2-CG 4.43Å; Y77-R79 HydrophobicContact CE2-CG 3.99Å; Y77-L538 HydrophobicContact CD1-CB 4.12Å; Y77-L538 HydrophobicContact CD1-CD1 4.22Å; Y77-L538 HydrophobicContact CD2-CB 4.47Å; Y77-L538 HydrophobicContact CG-CB 4.01Å; Y77-P539 HydrophobicContact CD2-CB 4.36Å; Y77-P539 HydrophobicContact CD2-CG 4.41Å; Y77-P539 HydrophobicContact CE2-CB 3.65Å; Y77-P539 HydrophobicContact CE2-CG 3.98Å
78	D	80.6	Confident	86.2	Confident	61 Å²	61	55.9 Å²	55.9	33%	0.326	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.3	172.1	-172.8	-26.6	0	0	0	108.8	H80 T81	D78-H80 PolarHBondContact O-N 3.26Å; D78-H80 PolarHBondContact OD1-N 3.27Å; D78-T81 PolarHBondContact OD1-N 2.87Å; D78-T81 WeakPolarHBondContact OD2-CB 3.37Å; D78-T81 PolarHBondContact OD2-OG1 3.09Å
79	R	70.8	Confident	86	Confident	145 Å²	145	57.8 Å²	57.8	55%	0.547	27%	0.271	S	S	.	.	S	Bend	trans	-70.1	-17	178.8	-66.5	175.4	-178.4	-145.6	0.5	113.3	T52 Y77	T52-R79 VanDerWaalsContact O-CB 3.28Å; T52-R79 WeakPolarHBondContact O-CB 3.37Å; T52-R79 VanDerWaalsContact O-CG 3.23Å; T52-R79 WeakPolarHBondContact O-CG 3.36Å; T52-R79 PolarHBondContact O-N 2.89Å; Y77-R79 HydrophobicContact CD2-CG 4.43Å; Y77-R79 HydrophobicContact CE2-CG 3.99Å
80	H	66.9	Low	86	Confident	145 Å²	145	56 Å²	56	67%	0.671	27%	0.267	S	S	*	.	S	Bend	trans	-123	-19.9	-171.2	-59.1	-56.2	0	0	0	114.8	D78	D78-H80 PolarHBondContact O-N 3.26Å; D78-H80 PolarHBondContact OD1-N 3.27Å
81	T	59.9	Low	85.8	Confident	65 Å²	65	57.2 Å²	57.2	40%	0.399	27%	0.273	S	S	.	.			trans	-104.3	111.5	-172.9	-53.8	0	0	0	0	113.5	D78 K83	D78-T81 PolarHBondContact OD1-N 2.87Å; D78-T81 WeakPolarHBondContact OD2-CB 3.37Å; D78-T81 PolarHBondContact OD2-OG1 3.09Å; T81-K83 HydrophobicContact CG2-CB 3.69Å; T81-K83 HydrophobicContact CG2-CD 4.45Å; T81-K83 HydrophobicContact CG2-CG 4.02Å; T81-K83 PolarHBondContact O-N 2.75Å
82	V	63	Low	85.7	Confident	84 Å²	84	60.9 Å²	60.9	51%	0.509	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.3	174.1	177.5	0	0	0	0	113	S84 N268	V82-S84 PolarHBondContact O-N 3.01Å; V82-N268 HydrophobicContact CG1-CB 4.13Å
83	K	68.3	Low	85.4	Confident	177 Å²	177	61.6 Å²	61.6	77%	0.77	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.6	-164.5	-62.6	-176	179	176.5	0	115.5	T81	T81-K83 HydrophobicContact CG2-CB 3.69Å; T81-K83 HydrophobicContact CG2-CD 4.45Å; T81-K83 HydrophobicContact CG2-CG 4.02Å; T81-K83 PolarHBondContact O-N 2.75Å
84	S	81.7	Confident	85.2	Confident	55 Å²	55	73.9 Å²	73.9	39%	0.385	35%	0.347	S	S	.	.	S	Bend	trans	-135.6	158.9	-180	58.6	0	0	0	0	112.5	V82	V82-S84 PolarHBondContact O-N 3.01Å
85	I	88.8	Confident	85	Confident	20 Å²	20	76 Å²	76	10%	0.103	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-69.6	160.9	166.2	61.8	175.1	0	0	0	110.6	R87 Y200 F205 L265 F274 L532	I85-R87 PolarHBondContact O-N 3.13Å; I85-Y200 HydrophobicContact CD1-CD2 3.81Å; I85-Y200 HydrophobicContact CD1-CE2 4.06Å; I85-F205 HydrophobicContact CD1-CB 3.66Å; I85-F205 HydrophobicContact CD1-CD2 3.88Å; I85-F205 HydrophobicContact CD1-CG 4.21Å; I85-L265 HydrophobicContact CG2-CB 3.84Å; I85-F274 HydrophobicContact CG2-CB 4.19Å; I85-F274 HydrophobicContact CG2-CD1 3.46Å; I85-F274 VanDerWaalsContact CG2-CD1 3.46Å; I85-F274 HydrophobicContact CG2-CD2 3.99Å; I85-F274 HydrophobicContact CG2-CE1 3.72Å; I85-F274 HydrophobicContact CG2-CE2 4.22Å; I85-F274 HydrophobicContact CG2-CG 3.6Å; I85-F274 HydrophobicContact CG2-CZ 4.1Å; I85-L532 HydrophobicContact CD1-CD1 4.42Å
86	L	91.6	Very high	84.8	Confident	14 Å²	14	78 Å²	78	7%	0.073	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-58.7	133.4	174.3	-177.6	67.5	0	0	0	110.8	C75 V88 L535 L538	C75-L86 HydrophobicContact CB-CD1 4.22Å; C75-L86 HydrophobicContact CB-CD2 4.19Å; C75-L86 HydrophobicContact CB-CG 4.42Å; L86-V88 HydrophobicContact CD2-CG2 3.78Å; L86-V88 HydrophobicContact CG-CG2 3.85Å; L86-L535 HydrophobicContact CD2-CB 3.78Å; L86-L538 HydrophobicContact CD1-CD1 4.24Å; L86-L538 HydrophobicContact CD2-CD1 4.33Å
87	R	92.1	Very high	84.7	Confident	166 Å²	166	80 Å²	80	63%	0.626	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	118.5	173.6	-69.7	179.8	-179.1	167.9	0.8	109.3	C75 D76 I85	C75-R87 CarbonylContact C-O 3.57Å; C75-R87 VanDerWaalsContact CA-O 3.32Å; C75-R87 WeakPolarHBondContact CA-O 3.35Å; D76-R87 HydrophobicContact CB-CB 4.12Å; D76-R87 PolarHBondContact N-O 2.98Å; D76-R87 PolarHBondContact O-N 2.8Å; I85-R87 PolarHBondContact O-N 3.13Å
88	V	93.8	Very high	85	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.012	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131	-179.4	-171.5	0	0	0	0	109.5	Y73 R74 L86 Y200 L528 V531 L532	Y73-V88 HydrophobicContact CD1-CG1 3.87Å; Y73-V88 HydrophobicContact CG-CG1 4Å; R74-V88 WeakPolarHBondContact O-CA 3.16Å; L86-V88 HydrophobicContact CD2-CG2 3.78Å; L86-V88 HydrophobicContact CG-CG2 3.85Å; V88-Y200 PolarHBondContact N-OH 3.01Å; V88-Y200 VanDerWaalsContact O-CE1 3.29Å; V88-Y200 WeakPolarHBondContact O-CE1 3.49Å; V88-Y200 PolarHBondContact O-OH 3.25Å; V88-L528 HydrophobicContact CB-CD1 3.82Å; V88-L528 HydrophobicContact CG1-CD1 3.55Å; V88-V531 HydrophobicContact CG1-CB 4.4Å; V88-V531 HydrophobicContact CG1-CG1 3.88Å; V88-V531 HydrophobicContact CG2-CG1 4.14Å; V88-L532 HydrophobicContact CG2-CB 4.29Å
89	S	93.9	Very high	85.6	Confident	39 Å²	39	77.4 Å²	77.4	27%	0.273	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.3	173.6	57	0	0	0	0	110.6	Y73 R74	Y73-S89 CarbonylContact C-O 3.49Å; Y73-S89 WeakPolarHBondContact CA-O 3.33Å; R74-S89 PolarHBondContact N-O 3.26Å; R74-S89 PolarHBondContact O-N 3.13Å
90	P	95.2	Very high	86.7	Confident	23 Å²	23	72.2 Å²	72.2	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140.8	171.3	27.3	-33.3	0	0	0	109.7	L92 P98	P90-L92 HydrophobicContact CG-CD2 4.21Å; P90-L92 PolarHBondContact O-N 3.31Å; P90-P98 HydrophobicContact CB-CB 3.9Å; P90-P98 HydrophobicContact CB-CG 4.15Å; P90-P98 HydrophobicContact CG-CB 4.46Å; P90-P98 HydrophobicContact CG-CG 4.16Å
91	L	95.1	Very high	88	Confident	26 Å²	26	68.8 Å²	68.8	14%	0.136	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-71.8	124.5	168	-173.2	64	0	0	0	108.5	Y57 I72 I99	Y57-L91 HydrophobicContact CE1-CD1 4.07Å; Y57-L91 HydrophobicContact CE1-CD2 4.5Å; I72-L91 HydrophobicContact CB-CB 4Å; I72-L91 HydrophobicContact CB-CD2 4.18Å; I72-L91 HydrophobicContact CD1-CD2 4.5Å; I72-L91 HydrophobicContact CG2-CB 3.91Å; I72-L91 HydrophobicContact CG2-CD2 3.57Å; I72-L91 HydrophobicContact CG2-CG 4.41Å; I72-L91 WeakPolarHBondContact O-CB 3.13Å; I72-L91 PolarHBondContact O-N 3.1Å; L91-I99 PolarHBondContact O-N 3.45Å
92	L	93.6	Very high	89.7	Confident	94 Å²	94	72.8 Å²	72.8	49%	0.492	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-89.8	144.2	-178	-54.3	-177.9	0	0	0	111.1	P90 E97 P98	P90-L92 HydrophobicContact CG-CD2 4.21Å; P90-L92 PolarHBondContact O-N 3.31Å; L92-E97 CarbonylContact C-O 3.53Å; L92-E97 WeakPolarHBondContact CA-O 3.35Å; L92-P98 HydrophobicContact CD2-CG 4.14Å
93	G	92	Very high	91.2	Very high	16 Å²	16	71.9 Å²	71.9	17%	0.165	35%	0.351	C	S	.	.			trans	-76.7	-177.7	170	0	0	0	0	0	112.9	D95 G96 E97	G93-D95 PolarHBondContact O-N 3.08Å; G93-G96 PolarHBondContact O-N 3.35Å; G93-E97 PolarHBondContact N-O 3.04Å
94	R	91.5	Very high	92.5	Very high	265 Å²	265	68.7 Å²	68.7	100%	1	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.9	177.3	-63.7	-175.6	-174.2	177.3	2.2	113	G96	R94-G96 VanDerWaalsContact C-N 3.28Å
95	D	92.1	Very high	93.1	Very high	121 Å²	121	68.8 Å²	68.8	65%	0.647	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.9	174.6	55.1	-4.5	0	0	0	113.1	G93 E97	G93-D95 PolarHBondContact O-N 3.08Å; D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 2.84Å; D95-E97 PolarHBondContact OD1-N 3.27Å
96	G	91.1	Very high	93.4	Very high	42 Å²	42	67.9 Å²	67.9	43%	0.433	34%	0.337	S	S	.	.	S	Bend	trans	80.2	1.8	-175.9	0	0	0	0	0	114.1	G93 R94	G93-G96 PolarHBondContact O-N 3.35Å; R94-G96 VanDerWaalsContact C-N 3.28Å
97	E	90.5	Very high	93.7	Very high	87 Å²	87	67.2 Å²	67.2	41%	0.407	33%	0.334	S	S	.	.	S	Bend	trans	-90.9	151.5	177.1	-72.2	-68.4	128.9	0	0	111.5	L92 G93 D95 I99 R518	L92-E97 CarbonylContact C-O 3.53Å; L92-E97 WeakPolarHBondContact CA-O 3.35Å; G93-E97 PolarHBondContact N-O 3.04Å; D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 2.84Å; D95-E97 PolarHBondContact OD1-N 3.27Å; E97-I99 PolarHBondContact O-N 3.43Å; E97-R518 IonicContact OE2-CZ 3.69Å; E97-R518 IonicContact OE2-NH1 3.58Å; E97-R518 PolarHBondContact OE2-NH1 3.38Å; E97-R518 IonicContact OE2-NH2 3.63Å; E97-R518 PolarHBondContact OE2-NH2 3.35Å; E97-R518 VanDerWaalsContact OE2-NH2 3.12Å
98	P	92.9	Very high	94	Very high	24 Å²	24	60.5 Å²	60.5	16%	0.156	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-54.4	134.4	172	-28.2	36.9	0	0	0	113.2	P90 L92 V100	P90-P98 HydrophobicContact CB-CB 3.9Å; P90-P98 HydrophobicContact CB-CG 4.15Å; P90-P98 HydrophobicContact CG-CB 4.46Å; P90-P98 HydrophobicContact CG-CG 4.16Å; L92-P98 HydrophobicContact CD2-CG 4.14Å; P98-V100 HydrophobicContact CB-CG2 4.42Å; P98-V100 PolarHBondContact O-N 3.13Å; P98-V100 VanDerWaalsContact O-N 3.15Å
99	I	93.5	Very high	94.1	Very high	16 Å²	16	64.1 Å²	64.1	8%	0.082	34%	0.337	C	S	.	.			trans	-71.9	110.2	173.2	-61.7	-57.2	0	0	0	110.2	I72 L91 E97 Y131	I72-I99 HydrophobicContact CD1-CG2 3.88Å; I72-I99 HydrophobicContact CG1-CG2 4.34Å; L91-I99 PolarHBondContact O-N 3.45Å; E97-I99 PolarHBondContact O-N 3.43Å; I99-Y131 HydrophobicContact CD1-CD1 3.78Å; I99-Y131 HydrophobicContact CD1-CE1 3.37Å; I99-Y131 HydrophobicContact CD1-CE2 4.48Å; I99-Y131 HydrophobicContact CD1-CG 4.48Å; I99-Y131 HydrophobicContact CG1-CD1 3.85Å; I99-Y131 HydrophobicContact CG1-CE1 3.97Å; I99-Y131 HydrophobicContact CG1-CG 4.19Å; I99-Y131 HydrophobicContact CG2-CD2 3.92Å; I99-Y131 HydrophobicContact CG2-CE2 3.88Å; I99-Y131 HydrophobicContact CG2-CG 4.27Å
100	V	93.7	Very high	94.3	Very high	35 Å²	35	63.1 Å²	63.1	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.3	174.2	-173.6	0	0	0	0	109.8	L70 Y71 P98 K102	L70-V100 WeakPolarHBondContact O-CA 3.4Å; Y71-V100 HydrophobicContact CD1-CG1 4.3Å; Y71-V100 HydrophobicContact CD1-CG2 3.8Å; Y71-V100 HydrophobicContact CE1-CB 4.41Å; Y71-V100 HydrophobicContact CE1-CG1 3.81Å; Y71-V100 HydrophobicContact CE1-CG2 3.7Å; P98-V100 HydrophobicContact CB-CG2 4.42Å; P98-V100 PolarHBondContact O-N 3.13Å; P98-V100 VanDerWaalsContact O-N 3.15Å; V100-K102 HydrophobicContact CG1-CG 4.13Å
101	K	94.9	Very high	94.3	Very high	73 Å²	73	62.2 Å²	62.2	32%	0.317	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.5	170.6	-55.8	-65	-177.8	-177.6	0	109.2	R69 L70 L124 Y131	R69-K101 CarbonylContact C-O 3.58Å; R69-K101 VanDerWaalsContact CA-O 3.3Å; R69-K101 WeakPolarHBondContact CA-O 3.49Å; L70-K101 HydrophobicContact CB-CB 4.29Å; L70-K101 PolarHBondContact N-O 2.86Å; L70-K101 PolarHBondContact O-N 3.37Å; K101-L124 HydrophobicContact CB-CD1 3.65Å; K101-Y131 PolarHBondContact NZ-OH 3.1Å
102	K	94.5	Very high	94.4	Very high	150 Å²	150	67.5 Å²	67.5	65%	0.652	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	141.8	-177.7	-51.5	-172.9	178.5	170.8	0	109.8	S68 R69 V100	S68-K102 WeakPolarHBondContact O-CA 3.46Å; R69-K102 HydrophobicContact CG-CB 4.32Å; R69-K102 HydrophobicContact CG-CD 4.32Å; R69-K102 HydrophobicContact CG-CG 3.84Å; V100-K102 HydrophobicContact CG1-CG 4.13Å
103	K	95.4	Very high	94.6	Very high	64 Å²	64	66.4 Å²	66.4	28%	0.278	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.5	175.7	-163.4	173.9	-179	171.5	0	110.7	G67 S68 Y120 L124	G67-K103 CarbonylContact C-O 3.53Å; G67-K103 VanDerWaalsContact CA-O 3.26Å; G67-K103 WeakPolarHBondContact CA-O 3.3Å; S68-K103 PolarHBondContact N-O 2.79Å; S68-K103 PolarHBondContact O-N 3.29Å; K103-Y120 HydrophobicContact CB-CE2 4.18Å; K103-Y120 HydrophobicContact CD-CD2 3.77Å; K103-Y120 HydrophobicContact CD-CE2 3.57Å; K103-Y120 HydrophobicContact CD-CG 4.4Å; K103-Y120 HydrophobicContact CG-CD2 4.21Å; K103-Y120 HydrophobicContact CG-CE2 3.54Å; K103-Y120 PolarHBondContact NZ-O 3.05Å; K103-Y120 PolarHBondContact O-OH 3.3Å; K103-L124 HydrophobicContact CB-CD1 4.22Å
104	N	93.8	Very high	94.9	Very high	110 Å²	110	67 Å²	67	59%	0.588	35%	0.347	S	S	*	.	S	Bend	trans	-115.9	154.4	174.6	-64	-26.4	0	0	0	109	S66	S66-N104 PolarHBondContact O-OD1 3.48Å
105	P	95.2	Very high	95.2	Very high	57 Å²	57	60.3 Å²	60.3	37%	0.37	33%	0.327	S	S	.	.	S	Bend	cis	-77.7	-171.7	-1.8	37.2	-39.3	0	0	0	112.1	S109 F110 Y120	P105-S109 WeakPolarHBondContact CB-OG 3.25Å; P105-F110 HydrophobicContact CG-CE2 4.17Å; P105-F110 HydrophobicContact CG-CZ 3.92Å; P105-Y120 VanDerWaalsContact O-CZ 3.3Å; P105-Y120 PolarHBondContact O-OH 3Å
106	G	95.5	Very high	95.5	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.01	32%	0.321	C	S	.	.			trans	-64.6	157.5	171.9	0	0	0	0	0	112.6	G64 S66 S108 S109	G64-G106 VanDerWaalsContact O-CA 3.31Å; G64-G106 WeakPolarHBondContact O-CA 3.29Å; S66-G106 PolarHBondContact O-N 2.93Å; G106-S108 PolarHBondContact O-N 3.25Å; G106-S108 VanDerWaalsContact O-N 3.15Å; G106-S109 WeakPolarHBondContact O-CB 3.46Å; G106-S109 PolarHBondContact O-N 3.2Å; G106-S109 VanDerWaalsContact O-N 3.1Å; G106-S109 PolarHBondContact O-OG 3.16Å
107	L	98.1	Very high	95.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-58	-31.4	-177.5	-178.5	62.1	0	0	0	112.5	A63 S109 F110 A117 Y120 M121 A146 M150 V161 L165	A63-L107 HydrophobicContact CB-CB 3.98Å; A63-L107 HydrophobicContact CB-CD2 3.73Å; A63-L107 HydrophobicContact CB-CG 4.5Å; L107-S109 PolarHBondContact O-N 3.46Å; L107-F110 HydrophobicContact CD1-CD2 4.45Å; L107-F110 WeakPolarHBondContact O-CD2 3.21Å; L107-F110 PolarHBondContact O-N 3.44Å; L107-F110 VanDerWaalsContact O-N 3.12Å; L107-A117 HydrophobicContact CD1-CB 4.1Å; L107-Y120 HydrophobicContact CD1-CD1 4.31Å; L107-M121 HydrophobicContact CD1-CE 4.1Å; L107-M121 HydrophobicContact CD2-CE 4.23Å; L107-A146 HydrophobicContact CD2-CB 4.26Å; L107-M150 HydrophobicContact CB-CG 4.43Å; L107-M150 HydrophobicContact CB-SD 4.25Å; L107-M150 HydrophobicContact CD2-CG 4.17Å; L107-M150 HydrophobicContact CD2-SD 4.22Å; L107-M150 HydrophobicContact CG-CG 4.36Å; L107-M150 HydrophobicContact CG-SD 3.92Å; L107-V161 HydrophobicContact CD1-CG1 4.36Å; L107-V161 HydrophobicContact CG-CG1 4.4Å; L107-L165 HydrophobicContact CD1-CD1 4.33Å; L107-L165 HydrophobicContact CD2-CD1 3.92Å
108	S	97	Very high	96.2	Very high	25 Å²	25	54.4 Å²	54.4	18%	0.175	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.2	-18.5	-179.8	54.7	0	0	0	0	114.5	G106 F110 G111 G149 M150	G106-S108 PolarHBondContact O-N 3.25Å; G106-S108 VanDerWaalsContact O-N 3.15Å; S108-F110 PolarHBondContact O-N 2.94Å; S108-F110 VanDerWaalsContact O-N 3.09Å; S108-G111 PolarHBondContact O-N 3.37Å; S108-G111 VanDerWaalsContact O-N 3.12Å; S108-G149 VanDerWaalsContact CB-C 3.47Å; S108-G149 WeakPolarHBondContact CB-O 3.35Å; S108-M150 WeakPolarHBondContact CA-SD 3.48Å
109	S	97.2	Very high	96.5	Very high	77 Å²	77	58 Å²	58	54%	0.538	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-64.6	-11.4	172.7	-57.9	0	0	0	0	113.4	P105 G106 L107	P105-S109 WeakPolarHBondContact CB-OG 3.25Å; G106-S109 WeakPolarHBondContact O-CB 3.46Å; G106-S109 PolarHBondContact O-N 3.2Å; G106-S109 VanDerWaalsContact O-N 3.1Å; G106-S109 PolarHBondContact O-OG 3.16Å; L107-S109 PolarHBondContact O-N 3.46Å
110	F	97.6	Very high	96.7	Very high	19 Å²	19	57.7 Å²	57.7	8%	0.083	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-107.5	18.8	177.2	-48.7	-73.4	0	0	0	112.8	P105 L107 S108 N112 D113 K116 A117 Y120 V161	P105-F110 HydrophobicContact CG-CE2 4.17Å; P105-F110 HydrophobicContact CG-CZ 3.92Å; L107-F110 HydrophobicContact CD1-CD2 4.45Å; L107-F110 WeakPolarHBondContact O-CD2 3.21Å; L107-F110 PolarHBondContact O-N 3.44Å; L107-F110 VanDerWaalsContact O-N 3.12Å; S108-F110 PolarHBondContact O-N 2.94Å; S108-F110 VanDerWaalsContact O-N 3.09Å; F110-N112 PolarHBondContact O-N 3.3Å; F110-N112 VanDerWaalsContact O-N 3.13Å; F110-D113 CarbonylContact O-C 3.58Å; F110-D113 PolarHBondContact O-N 3.32Å; F110-K116 HydrophobicContact CD1-CB 4.23Å; F110-K116 HydrophobicContact CD1-CD 3.81Å; F110-K116 HydrophobicContact CD1-CG 3.73Å; F110-K116 HydrophobicContact CE1-CD 3.92Å; F110-K116 HydrophobicContact CE1-CG 3.88Å; F110-A117 HydrophobicContact CB-CB 3.72Å; F110-A117 HydrophobicContact CG-CB 4.4Å; F110-Y120 HydrophobicContact CD2-CD1 4.43Å; F110-Y120 HydrophobicContact CD2-CD2 4.42Å; F110-Y120 HydrophobicContact CD2-CG 4.17Å; F110-Y120 AromaticContact CE2-CD1 3.97Å; F110-Y120 HydrophobicContact CE2-CD1 3.97Å; F110-Y120 AromaticContact CE2-CD2 3.33Å; F110-Y120 HydrophobicContact CE2-CD2 3.33Å; F110-Y120 HydrophobicContact CE2-CE1 4.34Å; F110-Y120 AromaticContact CE2-CE2 3.7Å; F110-Y120 HydrophobicContact CE2-CE2 3.7Å; F110-Y120 AromaticContact CE2-CG 3.46Å; F110-Y120 HydrophobicContact CE2-CG 3.46Å; F110-Y120 VanDerWaalsContact CE2-CG 3.46Å; F110-Y120 AromaticContact CZ-CD2 3.44Å; F110-Y120 HydrophobicContact CZ-CD2 3.44Å; F110-Y120 VanDerWaalsContact CZ-CD2 3.44Å; F110-Y120 HydrophobicContact CZ-CE2 4.01Å; F110-Y120 AromaticContact CZ-CG 3.88Å; F110-Y120 HydrophobicContact CZ-CG 3.88Å; F110-V161 WeakPolarHBondContact O-CG2 3.44Å
111	G	96.1	Very high	96.9	Very high	4 Å²	4	56 Å²	56	4%	0.041	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.3	-179.3	0	0	0	0	0	114.4	S108	S108-G111 PolarHBondContact O-N 3.37Å; S108-G111 VanDerWaalsContact O-N 3.12Å
112	N	96.4	Very high	97	Very high	137 Å²	137	55.6 Å²	55.6	73%	0.733	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.5	179.4	-69.7	-43.3	0	0	0	114.6	F110 E157	F110-N112 PolarHBondContact O-N 3.3Å; F110-N112 VanDerWaalsContact O-N 3.13Å; N112-E157 PolarHBondContact OD1-OE1 3.37Å; N112-E157 PolarHBondContact OD1-OE2 3.19Å
113	D	97.9	Very high	97.1	Very high	70 Å²	70	50.8 Å²	50.8	37%	0.374	28%	0.283	S	S	.	.			trans	-139.7	78.4	-177	-170.5	-13.8	0	0	0	111.1	F110 E115 K116 A117	F110-D113 CarbonylContact O-C 3.58Å; F110-D113 PolarHBondContact O-N 3.32Å; D113-E115 VanDerWaalsContact C-N 3.27Å; D113-E115 PolarHBondContact O-N 3.22Å; D113-K116 HydrophobicContact CB-CB 4.01Å; D113-K116 PolarHBondContact O-N 3.29Å; D113-K116 WeakPolarHBondContact OD1-CB 3.46Å; D113-K116 PolarHBondContact OD1-N 3.41Å; D113-K116 WeakPolarHBondContact OD2-CB 3.4Å; D113-K116 WeakPolarHBondContact OD2-CD 3.42Å; D113-A117 PolarHBondContact O-N 3.47Å
114	P	98.1	Very high	97.1	Very high	29 Å²	29	48.1 Å²	48.1	19%	0.188	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-32.8	-178.7	-25.6	35.4	0	0	0	114.1	A117 V118 K160 V161 A164	P114-A117 WeakPolarHBondContact O-CB 3.43Å; P114-A117 PolarHBondContact O-N 3.36Å; P114-V118 WeakPolarHBondContact O-CG2 3.28Å; P114-V118 PolarHBondContact O-N 2.88Å; P114-K160 HydrophobicContact CG-CB 3.84Å; P114-V161 HydrophobicContact CG-CG2 4.36Å; P114-A164 HydrophobicContact CB-CB 3.66Å
115	E	98.1	Very high	97.3	Very high	125 Å²	125	42.9 Å²	42.9	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-69.3	-42	179.1	-63.8	-54.5	145.1	0	0	110.9	D113 A117 V118 V119	D113-E115 VanDerWaalsContact C-N 3.27Å; D113-E115 PolarHBondContact O-N 3.22Å; E115-A117 VanDerWaalsContact C-N 3.29Å; E115-A117 PolarHBondContact O-N 3.28Å; E115-V118 WeakPolarHBondContact O-CB 3.42Å; E115-V118 PolarHBondContact O-N 3.09Å; E115-V118 VanDerWaalsContact O-N 3.16Å; E115-V119 WeakPolarHBondContact O-CG2 3.25Å; E115-V119 PolarHBondContact O-N 3.19Å
116	K	98.3	Very high	97.3	Very high	117 Å²	117	44.1 Å²	44.1	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-32.7	172.2	-168.7	175	-174.6	-178.4	0	112.3	F110 D113 V118 V119 Y120	F110-K116 HydrophobicContact CD1-CB 4.23Å; F110-K116 HydrophobicContact CD1-CD 3.81Å; F110-K116 HydrophobicContact CD1-CG 3.73Å; F110-K116 HydrophobicContact CE1-CD 3.92Å; F110-K116 HydrophobicContact CE1-CG 3.88Å; D113-K116 HydrophobicContact CB-CB 4.01Å; D113-K116 PolarHBondContact O-N 3.29Å; D113-K116 WeakPolarHBondContact OD1-CB 3.46Å; D113-K116 PolarHBondContact OD1-N 3.41Å; D113-K116 WeakPolarHBondContact OD2-CB 3.4Å; D113-K116 WeakPolarHBondContact OD2-CD 3.42Å; K116-V118 VanDerWaalsContact C-N 3.33Å; K116-V119 PolarHBondContact O-N 3.18Å; K116-Y120 WeakPolarHBondContact O-CB 3.36Å; K116-Y120 PolarHBondContact O-N 3.47Å
117	A	98.3	Very high	97.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-41.1	171.7	0	0	0	0	0	111.8	L107 F110 D113 P114 E115 Y120 M121 V161	L107-A117 HydrophobicContact CD1-CB 4.1Å; F110-A117 HydrophobicContact CB-CB 3.72Å; F110-A117 HydrophobicContact CG-CB 4.4Å; D113-A117 PolarHBondContact O-N 3.47Å; P114-A117 WeakPolarHBondContact O-CB 3.43Å; P114-A117 PolarHBondContact O-N 3.36Å; E115-A117 VanDerWaalsContact C-N 3.29Å; E115-A117 PolarHBondContact O-N 3.28Å; A117-Y120 PolarHBondContact O-N 3.44Å; A117-M121 WeakPolarHBondContact O-CB 3.27Å; A117-M121 PolarHBondContact O-N 3.13Å; A117-V161 HydrophobicContact CB-CG1 3.8Å; A117-V161 HydrophobicContact CB-CG2 4.5Å
118	V	98.3	Very high	96.9	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-49.7	174	170.6	0	0	0	0	111.2	P114 E115 K116 Y120 M121 K122 A164 L165 A168	P114-V118 WeakPolarHBondContact O-CG2 3.28Å; P114-V118 PolarHBondContact O-N 2.88Å; E115-V118 WeakPolarHBondContact O-CB 3.42Å; E115-V118 PolarHBondContact O-N 3.09Å; E115-V118 VanDerWaalsContact O-N 3.16Å; K116-V118 VanDerWaalsContact C-N 3.33Å; V118-Y120 VanDerWaalsContact C-N 3.3Å; V118-Y120 PolarHBondContact O-N 2.98Å; V118-M121 PolarHBondContact O-N 3.44Å; V118-K122 HydrophobicContact CG1-CD 4.07Å; V118-K122 HydrophobicContact CG1-CG 4.34Å; V118-K122 WeakPolarHBondContact O-CB 3.21Å; V118-K122 WeakPolarHBondContact O-CG 3.38Å; V118-K122 PolarHBondContact O-N 2.88Å; V118-A164 HydrophobicContact CG2-CB 3.9Å; V118-L165 HydrophobicContact CG2-CD2 4.12Å; V118-A168 HydrophobicContact CB-CB 4.35Å; V118-A168 HydrophobicContact CG1-CB 3.49Å; V118-A168 VanDerWaalsContact CG1-CB 3.49Å; V118-A168 HydrophobicContact CG2-CB 3.83Å
119	V	98.2	Very high	96.7	Very high	101 Å²	101	47.1 Å²	47.1	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-59.6	-43.2	177.2	174.4	0	0	0	0	111	E115 K116 M121 G123	E115-V119 WeakPolarHBondContact O-CG2 3.25Å; E115-V119 PolarHBondContact O-N 3.19Å; K116-V119 PolarHBondContact O-N 3.18Å; V119-M121 PolarHBondContact O-N 3.02Å; V119-G123 PolarHBondContact O-N 3.22Å
120	Y	98.2	Very high	96.5	Very high	9 Å²	9	50 Å²	50	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-48.5	176.5	170.4	-87.7	0	0	0	111.3	S68 K103 P105 L107 F110 K116 A117 V118 G123	S68-Y120 WeakPolarHBondContact CB-OH 3.41Å; S68-Y120 PolarHBondContact N-OH 2.85Å; S68-Y120 WeakPolarHBondContact OG-CE1 3.46Å; S68-Y120 PolarHBondContact OG-OH 2.65Å; K103-Y120 HydrophobicContact CB-CE2 4.18Å; K103-Y120 HydrophobicContact CD-CD2 3.77Å; K103-Y120 HydrophobicContact CD-CE2 3.57Å; K103-Y120 HydrophobicContact CD-CG 4.4Å; K103-Y120 HydrophobicContact CG-CD2 4.21Å; K103-Y120 HydrophobicContact CG-CE2 3.54Å; K103-Y120 PolarHBondContact NZ-O 3.05Å; K103-Y120 PolarHBondContact O-OH 3.3Å; P105-Y120 VanDerWaalsContact O-CZ 3.3Å; P105-Y120 PolarHBondContact O-OH 3Å; L107-Y120 HydrophobicContact CD1-CD1 4.31Å; F110-Y120 HydrophobicContact CD2-CD1 4.43Å; F110-Y120 HydrophobicContact CD2-CD2 4.42Å; F110-Y120 HydrophobicContact CD2-CG 4.17Å; F110-Y120 AromaticContact CE2-CD1 3.97Å; F110-Y120 HydrophobicContact CE2-CD1 3.97Å; F110-Y120 AromaticContact CE2-CD2 3.33Å; F110-Y120 HydrophobicContact CE2-CD2 3.33Å; F110-Y120 HydrophobicContact CE2-CE1 4.34Å; F110-Y120 AromaticContact CE2-CE2 3.7Å; F110-Y120 HydrophobicContact CE2-CE2 3.7Å; F110-Y120 AromaticContact CE2-CG 3.46Å; F110-Y120 HydrophobicContact CE2-CG 3.46Å; F110-Y120 VanDerWaalsContact CE2-CG 3.46Å; F110-Y120 AromaticContact CZ-CD2 3.44Å; F110-Y120 HydrophobicContact CZ-CD2 3.44Å; F110-Y120 VanDerWaalsContact CZ-CD2 3.44Å; F110-Y120 HydrophobicContact CZ-CE2 4.01Å; F110-Y120 AromaticContact CZ-CG 3.88Å; F110-Y120 HydrophobicContact CZ-CG 3.88Å; K116-Y120 WeakPolarHBondContact O-CB 3.36Å; K116-Y120 PolarHBondContact O-N 3.47Å; A117-Y120 PolarHBondContact O-N 3.44Å; V118-Y120 VanDerWaalsContact C-N 3.3Å; V118-Y120 PolarHBondContact O-N 2.98Å; Y120-G123 PolarHBondContact O-N 3.16Å
121	M	98	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-43.6	-177.2	-168.3	56.7	65	0	0	112.4	V61 A63 L107 A117 V118 V119 G123 L124 I125 V144 L165 L169	V61-M121 HydrophobicContact CB-SD 4.22Å; V61-M121 HydrophobicContact CG1-CE 4.13Å; V61-M121 HydrophobicContact CG1-SD 3.74Å; V61-M121 HydrophobicContact CG2-SD 4.13Å; A63-M121 HydrophobicContact CB-CE 4.4Å; L107-M121 HydrophobicContact CD1-CE 4.1Å; L107-M121 HydrophobicContact CD2-CE 4.23Å; A117-M121 WeakPolarHBondContact O-CB 3.27Å; A117-M121 PolarHBondContact O-N 3.13Å; V118-M121 PolarHBondContact O-N 3.44Å; V119-M121 PolarHBondContact O-N 3.02Å; M121-G123 VanDerWaalsContact C-N 3.3Å; M121-G123 PolarHBondContact O-N 2.94Å; M121-L124 WeakPolarHBondContact O-CB 3.42Å; M121-L124 PolarHBondContact O-N 2.99Å; M121-I125 HydrophobicContact CG-CD1 3.69Å; M121-I125 HydrophobicContact CG-CG1 4.45Å; M121-I125 PolarHBondContact O-N 3.01Å; M121-I125 HydrophobicContact SD-CD1 4.18Å; M121-I125 HydrophobicContact SD-CG1 4.49Å; M121-V144 HydrophobicContact CE-CG1 3.6Å; M121-V144 HydrophobicContact CG-CG1 4.45Å; M121-V144 HydrophobicContact CG-CG2 4.36Å; M121-V144 HydrophobicContact SD-CG1 3.92Å; M121-V144 HydrophobicContact SD-CG2 4.16Å; M121-L165 HydrophobicContact CB-CD2 3.63Å; M121-L165 HydrophobicContact CG-CD2 3.95Å; M121-L169 HydrophobicContact CG-CD1 4.01Å; M121-L169 HydrophobicContact CG-CD2 4.3Å
122	K	97.6	Very high	96.4	Very high	64 Å²	64	53.2 Å²	53.2	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-58.1	-42.5	174.8	-74.4	-175.9	171	-172.7	0	112.2	V118 L124 I125 N126 L169 S172 Y173	V118-K122 HydrophobicContact CG1-CD 4.07Å; V118-K122 HydrophobicContact CG1-CG 4.34Å; V118-K122 WeakPolarHBondContact O-CB 3.21Å; V118-K122 WeakPolarHBondContact O-CG 3.38Å; V118-K122 PolarHBondContact O-N 2.88Å; K122-L124 PolarHBondContact O-N 3.34Å; K122-L124 VanDerWaalsContact O-N 3.12Å; K122-I125 PolarHBondContact O-N 2.78Å; K122-N126 WeakPolarHBondContact O-CB 3.46Å; K122-N126 PolarHBondContact O-N 2.99Å; K122-N126 PolarHBondContact O-ND2 3.5Å; K122-N126 PolarHBondContact O-OD1 3.05Å; K122-L169 HydrophobicContact CG-CD2 4.21Å; K122-S172 WeakPolarHBondContact CE-OG 3.49Å; K122-S172 PolarHBondContact NZ-OG 3.16Å; K122-Y173 VanDerWaalsContact CA-OH 3.3Å; K122-Y173 WeakPolarHBondContact CA-OH 3.33Å; K122-Y173 WeakPolarHBondContact CB-OH 3.48Å; K122-Y173 HydrophobicContact CG-CE2 4.3Å; K122-Y173 PolarHBondContact O-OH 3.5Å
123	G	96.2	Very high	96.3	Very high	48 Å²	48	48.4 Å²	48.4	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-15.2	176.6	0	0	0	0	0	114.3	V119 Y120 M121	V119-G123 PolarHBondContact O-N 3.22Å; Y120-G123 PolarHBondContact O-N 3.16Å; M121-G123 VanDerWaalsContact C-N 3.3Å; M121-G123 PolarHBondContact O-N 2.94Å
124	L	95.7	Very high	96.2	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-92.5	-45.9	172.1	-173.6	61.4	0	0	0	111.3	V61 L70 K101 K103 M121 K122	V61-L124 HydrophobicContact CG1-CD2 3.78Å; V61-L124 HydrophobicContact CG2-CD2 4.47Å; L70-L124 HydrophobicContact CB-CD1 4.11Å; L70-L124 HydrophobicContact CB-CD2 4.06Å; L70-L124 HydrophobicContact CB-CG 3.83Å; L70-L124 HydrophobicContact CD1-CG 4.24Å; K101-L124 HydrophobicContact CB-CD1 3.65Å; K103-L124 HydrophobicContact CB-CD1 4.22Å; M121-L124 WeakPolarHBondContact O-CB 3.42Å; M121-L124 PolarHBondContact O-N 2.99Å; K122-L124 PolarHBondContact O-N 3.34Å; K122-L124 VanDerWaalsContact O-N 3.12Å
125	I	97.4	Very high	96	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-35.4	-176.3	-65.1	166.6	0	0	0	112.6	V61 L70 M121 K122 G127 A128 L142 V144 L169 Y173 F175	V61-I125 HydrophobicContact CG2-CG1 4.07Å; L70-I125 HydrophobicContact CD1-CG1 4.24Å; M121-I125 HydrophobicContact CG-CD1 3.69Å; M121-I125 HydrophobicContact CG-CG1 4.45Å; M121-I125 PolarHBondContact O-N 3.01Å; M121-I125 HydrophobicContact SD-CD1 4.18Å; M121-I125 HydrophobicContact SD-CG1 4.49Å; K122-I125 PolarHBondContact O-N 2.78Å; I125-G127 PolarHBondContact O-N 2.95Å; I125-G127 VanDerWaalsContact O-N 3.12Å; I125-A128 VanDerWaalsContact O-CB 3.27Å; I125-A128 WeakPolarHBondContact O-CB 3.24Å; I125-A128 PolarHBondContact O-N 3.14Å; I125-L142 HydrophobicContact CD1-CD1 3.99Å; I125-L142 HydrophobicContact CD1-CD2 3.91Å; I125-L142 HydrophobicContact CG1-CD1 4.22Å; I125-L142 HydrophobicContact CG2-CD1 4.39Å; I125-L142 HydrophobicContact CG2-CD2 4.41Å; I125-V144 HydrophobicContact CD1-CG2 4.16Å; I125-L169 HydrophobicContact CD1-CD1 4.02Å; I125-L169 HydrophobicContact CD1-CD2 3.79Å; I125-Y173 HydrophobicContact CB-CE1 4.47Å; I125-Y173 HydrophobicContact CB-CE2 4.39Å; I125-Y173 HydrophobicContact CD1-CE2 4.45Å; I125-Y173 HydrophobicContact CG2-CD1 4.16Å; I125-Y173 HydrophobicContact CG2-CD2 4.36Å; I125-Y173 HydrophobicContact CG2-CE1 3.72Å; I125-Y173 HydrophobicContact CG2-CE2 3.94Å; I125-Y173 HydrophobicContact CG2-CG 4.47Å; I125-F175 HydrophobicContact CG2-CE2 3.88Å
126	N	96	Very high	95.9	Very high	83 Å²	83	55.3 Å²	55.3	44%	0.444	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-53.8	-37.2	-179	-74.8	-5.7	0	0	0	112.6	K122 A128 L129 Y173	K122-N126 WeakPolarHBondContact O-CB 3.46Å; K122-N126 PolarHBondContact O-N 2.99Å; K122-N126 PolarHBondContact O-ND2 3.5Å; K122-N126 PolarHBondContact O-OD1 3.05Å; N126-A128 PolarHBondContact O-N 3.12Å; N126-L129 PolarHBondContact O-N 2.82Å; N126-Y173 WeakPolarHBondContact OD1-CE1 3.3Å; N126-Y173 PolarHBondContact OD1-OH 3.01Å
127	G	89.6	Confident	95.8	Very high	23 Å²	23	50.7 Å²	50.7	24%	0.237	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-69.9	-8.6	178.7	0	0	0	0	0	114.8	I125 Y131	I125-G127 PolarHBondContact O-N 2.95Å; I125-G127 VanDerWaalsContact O-N 3.12Å; G127-Y131 VanDerWaalsContact O-CD2 3.22Å; G127-Y131 WeakPolarHBondContact O-CD2 3.36Å; G127-Y131 WeakPolarHBondContact O-CE2 3.27Å
128	A	93.8	Very high	95.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-81.1	-28.7	175.9	0	0	0	0	0	112.7	V59 L70 I72 I125 N126 D130 Y131 I132	V59-A128 HydrophobicContact CG1-CB 4.18Å; V59-A128 HydrophobicContact CG2-CB 4.08Å; L70-A128 HydrophobicContact CD1-CB 4.07Å; L70-A128 HydrophobicContact CD2-CB 4.04Å; I72-A128 HydrophobicContact CD1-CB 3.82Å; I72-A128 HydrophobicContact CG1-CB 4.35Å; I125-A128 VanDerWaalsContact O-CB 3.27Å; I125-A128 WeakPolarHBondContact O-CB 3.24Å; I125-A128 PolarHBondContact O-N 3.14Å; N126-A128 PolarHBondContact O-N 3.12Å; A128-D130 PolarHBondContact O-N 2.78Å; A128-Y131 PolarHBondContact O-N 2.79Å; A128-Y131 VanDerWaalsContact O-N 3.12Å; A128-I132 HydrophobicContact CB-CD1 4.39Å; A128-I132 PolarHBondContact O-N 2.87Å
129	L	93.6	Very high	95.5	Very high	66 Å²	66	62.3 Å²	62.3	35%	0.346	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.8	-178.5	-70.2	167.8	0	0	0	112.6	N126 Y131 V137 Y173 F175	N126-L129 PolarHBondContact O-N 2.82Å; L129-Y131 PolarHBondContact O-N 2.78Å; L129-V137 HydrophobicContact CD2-CG1 4.08Å; L129-Y173 HydrophobicContact CD1-CD1 4.34Å; L129-Y173 HydrophobicContact CD1-CE1 4.31Å; L129-F175 HydrophobicContact CD2-CE1 3.94Å; L129-F175 HydrophobicContact CD2-CE2 4.18Å; L129-F175 HydrophobicContact CD2-CZ 3.44Å; L129-F175 VanDerWaalsContact CD2-CZ 3.44Å; L129-F175 HydrophobicContact CG-CZ 4.14Å
130	D	93.4	Very high	95.4	Very high	137 Å²	137	57.5 Å²	57.5	73%	0.733	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.9	179	-64	-26.4	0	0	0	113.7	A128	A128-D130 PolarHBondContact O-N 2.78Å
131	Y	95.3	Very high	95.3	Very high	84 Å²	84	57.2 Å²	57.2	33%	0.329	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-18.8	-174.9	-59.6	-79.8	0	0	0	113.7	I72 I99 K101 G127 A128 L129	I72-Y131 HydrophobicContact CD1-CD2 4.11Å; I72-Y131 HydrophobicContact CD1-CG 4.34Å; I99-Y131 HydrophobicContact CD1-CD1 3.78Å; I99-Y131 HydrophobicContact CD1-CE1 3.37Å; I99-Y131 HydrophobicContact CD1-CE2 4.48Å; I99-Y131 HydrophobicContact CD1-CG 4.48Å; I99-Y131 HydrophobicContact CG1-CD1 3.85Å; I99-Y131 HydrophobicContact CG1-CE1 3.97Å; I99-Y131 HydrophobicContact CG1-CG 4.19Å; I99-Y131 HydrophobicContact CG2-CD2 3.92Å; I99-Y131 HydrophobicContact CG2-CE2 3.88Å; I99-Y131 HydrophobicContact CG2-CG 4.27Å; K101-Y131 PolarHBondContact NZ-OH 3.1Å; G127-Y131 VanDerWaalsContact O-CD2 3.22Å; G127-Y131 WeakPolarHBondContact O-CD2 3.36Å; G127-Y131 WeakPolarHBondContact O-CE2 3.27Å; A128-Y131 PolarHBondContact O-N 2.79Å; A128-Y131 VanDerWaalsContact O-N 3.12Å; L129-Y131 PolarHBondContact O-N 2.78Å
132	I	95.6	Very high	95.3	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.036	29%	0.292	C	S	.	.	S	Bend	trans	-87.8	130.6	-178.6	-61.2	157.4	0	0	0	108.7	V59 I72 A128 K134 N136 V137 T140 F175	V59-I132 HydrophobicContact CG2-CD1 3.61Å; I72-I132 HydrophobicContact CG2-CG1 4.41Å; A128-I132 HydrophobicContact CB-CD1 4.39Å; A128-I132 PolarHBondContact O-N 2.87Å; I132-K134 PolarHBondContact O-N 2.93Å; I132-N136 HydrophobicContact CG2-CB 4.38Å; I132-V137 HydrophobicContact CB-CG2 4.5Å; I132-V137 HydrophobicContact CG2-CG2 4.04Å; I132-T140 HydrophobicContact CD1-CG2 3.97Å; I132-T140 WeakPolarHBondContact CG2-OG1 3.32Å; I132-F175 HydrophobicContact CD1-CE1 3.67Å; I132-F175 HydrophobicContact CD1-CZ 3.75Å
133	P	95.1	Very high	95.4	Very high	37 Å²	37	54.4 Å²	54.4	24%	0.24	28%	0.28	C	S	.	.			trans	-55.4	136.5	174	-23.1	32.5	0	0	0	111.3	Y57 E135 N136 V137	Y57-P133 HydrophobicContact CE2-CG 4.11Å; P133-E135 HydrophobicContact CB-CG 4.33Å; P133-E135 PolarHBondContact O-N 3.16Å; P133-N136 HydrophobicContact CB-CB 4.38Å; P133-N136 WeakPolarHBondContact CB-OD1 3.34Å; P133-N136 PolarHBondContact O-N 2.64Å; P133-V137 PolarHBondContact O-N 2.98Å
134	K	95	Very high	95.5	Very high	193 Å²	193	52.1 Å²	52.1	84%	0.839	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-57.9	-37.6	-170.8	-70	-175.2	177.2	-179.1	0	112.3	I132 N136 V137	I132-K134 PolarHBondContact O-N 2.93Å; K134-N136 VanDerWaalsContact C-N 3.28Å; K134-N136 PolarHBondContact O-N 3.07Å; K134-V137 PolarHBondContact O-N 2.81Å
135	E	95.1	Very high	95.6	Very high	146 Å²	146	51.7 Å²	51.7	68%	0.682	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.5	-25.4	176.7	62.3	-88.6	-146.5	0	0	113.5	P133	P133-E135 HydrophobicContact CB-CG 4.33Å; P133-E135 PolarHBondContact O-N 3.16Å
136	N	95.5	Very high	95.6	Very high	29 Å²	29	51.7 Å²	51.7	16%	0.155	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-96	-8.7	-179.1	-67.7	108.4	0	0	0	113.6	Y57 I132 P133 K134 K138 Q139 T140	Y57-N136 HydrophobicContact CD2-CB 3.73Å; Y57-N136 HydrophobicContact CE2-CB 3.84Å; I132-N136 HydrophobicContact CG2-CB 4.38Å; P133-N136 HydrophobicContact CB-CB 4.38Å; P133-N136 WeakPolarHBondContact CB-OD1 3.34Å; P133-N136 PolarHBondContact O-N 2.64Å; K134-N136 VanDerWaalsContact C-N 3.28Å; K134-N136 PolarHBondContact O-N 3.07Å; N136-K138 VanDerWaalsContact C-N 3.31Å; N136-K138 PolarHBondContact O-N 3.33Å; N136-Q139 CarbonylContact O-C 3.45Å; N136-Q139 PolarHBondContact O-N 2.85Å; N136-T140 PolarHBondContact O-N 2.85Å; N136-T140 PolarHBondContact O-OG1 2.91Å
137	V	96.2	Very high	95.7	Very high	21 Å²	21	48 Å²	48	13%	0.127	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-53.9	-47.6	-177.9	173.9	0	0	0	0	111.1	L129 I132 P133 K134 Q139 T140 D174 F175	L129-V137 HydrophobicContact CD2-CG1 4.08Å; I132-V137 HydrophobicContact CB-CG2 4.5Å; I132-V137 HydrophobicContact CG2-CG2 4.04Å; P133-V137 PolarHBondContact O-N 2.98Å; K134-V137 PolarHBondContact O-N 2.81Å; V137-Q139 PolarHBondContact O-N 2.97Å; V137-T140 WeakPolarHBondContact O-CB 3.29Å; V137-T140 PolarHBondContact O-N 3.38Å; V137-T140 VanDerWaalsContact O-N 3.09Å; V137-D174 HydrophobicContact CG1-CB 4.07Å; V137-F175 HydrophobicContact CG1-CD1 4.15Å; V137-F175 HydrophobicContact CG1-CE1 3.92Å; V137-F175 WeakPolarHBondContact O-CD1 3.43Å
138	K	95.3	Very high	96.1	Very high	149 Å²	149	47 Å²	47	65%	0.648	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-64.2	-23.1	-179.5	-72.9	-174.4	177.9	-171.3	0	115.1	N136 D174	N136-K138 VanDerWaalsContact C-N 3.31Å; N136-K138 PolarHBondContact O-N 3.33Å; K138-D174 VanDerWaalsContact CA-O 3.28Å; K138-D174 WeakPolarHBondContact CA-O 3.22Å; K138-D174 HydrophobicContact CG-CB 4.06Å
139	Q	94	Very high	96.2	Very high	103 Å²	103	47.3 Å²	47.3	48%	0.481	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-97.7	-10.8	179.7	-64.5	175.3	-0.6	0	0	111.6	H56 N136 V137 S141 I176	H56-Q139 PolarHBondContact CE1-O 2.86Å; H56-Q139 PolarHBondContact ND1-O 3.34Å; H56-Q139 PolarHBondContact NE2-O 2.76Å; N136-Q139 CarbonylContact O-C 3.45Å; N136-Q139 PolarHBondContact O-N 2.85Å; V137-Q139 PolarHBondContact O-N 2.97Å; Q139-S141 PolarHBondContact O-N 2.61Å; Q139-I176 VanDerWaalsContact O-CD1 3.29Å; Q139-I176 WeakPolarHBondContact O-CD1 3.35Å
140	T	96.8	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.			trans	-73.3	130	-175.6	-64.4	0	0	0	0	110.7	Y57 V59 I132 N136 V137 F175 I176	Y57-T140 WeakPolarHBondContact O-CA 3.39Å; Y57-T140 WeakPolarHBondContact O-CG2 3.37Å; V59-T140 HydrophobicContact CG2-CG2 3.94Å; I132-T140 HydrophobicContact CD1-CG2 3.97Å; I132-T140 WeakPolarHBondContact CG2-OG1 3.32Å; N136-T140 PolarHBondContact O-N 2.85Å; N136-T140 PolarHBondContact O-OG1 2.91Å; V137-T140 WeakPolarHBondContact O-CB 3.29Å; V137-T140 PolarHBondContact O-N 3.38Å; V137-T140 VanDerWaalsContact O-N 3.09Å; T140-F175 HydrophobicContact CG2-CD1 3.83Å; T140-F175 HydrophobicContact CG2-CE1 3.88Å; T140-F175 CarbonylContact O-C 3.56Å; T140-F175 WeakPolarHBondContact O-CA 3.46Å; T140-F175 WeakPolarHBondContact O-CB 3.42Å; T140-I176 PolarHBondContact O-N 3.26Å
141	S	97.1	Very high	96.6	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.7	175.7	-59.2	0	0	0	0	111	H56 Y57 A58 V59 Q139	H56-S141 PolarHBondContact CE1-OG 2.85Å; H56-S141 PolarHBondContact NE2-OG 2.98Å; Y57-S141 PolarHBondContact O-N 3.49Å; A58-S141 CarbonylContact C-O 3.59Å; A58-S141 WeakPolarHBondContact CA-O 3.36Å; V59-S141 PolarHBondContact N-O 2.95Å; Q139-S141 PolarHBondContact O-N 2.61Å
142	L	97.9	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123	172.5	169.8	65.7	0	0	0	109.8	V59 I125 V144 L169 Y173 F175 I176 V177 N181	V59-L142 HydrophobicContact CB-CD1 3.94Å; V59-L142 HydrophobicContact CG1-CD1 3.7Å; V59-L142 CarbonylContact O-C 3.33Å; V59-L142 WeakPolarHBondContact O-CA 3.23Å; I125-L142 HydrophobicContact CD1-CD1 3.99Å; I125-L142 HydrophobicContact CD1-CD2 3.91Å; I125-L142 HydrophobicContact CG1-CD1 4.22Å; I125-L142 HydrophobicContact CG2-CD1 4.39Å; I125-L142 HydrophobicContact CG2-CD2 4.41Å; L142-V144 HydrophobicContact CD1-CG2 4.33Å; L142-V144 HydrophobicContact CG-CG2 4.49Å; L142-L169 HydrophobicContact CD2-CB 4.5Å; L142-Y173 HydrophobicContact CD2-CD2 4.44Å; L142-F175 HydrophobicContact CB-CB 3.8Å; L142-F175 HydrophobicContact CB-CD2 3.91Å; L142-F175 HydrophobicContact CB-CG 4.1Å; L142-F175 HydrophobicContact CD2-CD2 3.97Å; L142-F175 HydrophobicContact CG-CD2 4.39Å; L142-I176 PolarHBondContact N-O 3.46Å; L142-I176 VanDerWaalsContact N-O 3.13Å; L142-V177 HydrophobicContact CB-CG2 4.16Å; L142-V177 HydrophobicContact CD2-CG2 4.04Å; L142-N181 WeakPolarHBondContact O-CB 3.35Å
143	F	98.2	Very high	96.6	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.9	172.7	-60.4	-88.8	0	0	0	110.3	A58 V59 V60 V61 L145 N181 R534 L535	A58-F143 HydrophobicContact CB-CE2 4.38Å; V59-F143 PolarHBondContact O-N 3.48Å; V60-F143 CarbonylContact C-O 3.58Å; V60-F143 HydrophobicContact CB-CB 4.45Å; V60-F143 HydrophobicContact CG1-CB 4.19Å; V60-F143 HydrophobicContact CG2-CB 4.21Å; V60-F143 HydrophobicContact CG2-CD2 3.96Å; V60-F143 HydrophobicContact CG2-CG 4.43Å; V61-F143 PolarHBondContact N-O 3.26Å; F143-L145 HydrophobicContact CB-CD1 4.3Å; F143-L145 HydrophobicContact CB-CG 4.13Å; F143-N181 CarbonylContact C-O 3.48Å; F143-N181 VanDerWaalsContact CA-O 3.29Å; F143-N181 WeakPolarHBondContact CA-O 3.48Å; F143-N181 HydrophobicContact CD1-CB 3.77Å; F143-N181 HydrophobicContact CE1-CB 4.15Å; F143-N181 VanDerWaalsContact CE1-CG 3.47Å; F143-N181 WeakPolarHBondContact CE1-OD1 3.47Å; F143-N181 HydrophobicContact CG-CB 4.43Å; F143-R534 HydrophobicContact CE1-CB 4.12Å; F143-R534 HydrophobicContact CE1-CG 4.48Å; F143-R534 HydrophobicContact CZ-CB 4.16Å; F143-L535 HydrophobicContact CE2-CD1 4.36Å; F143-L535 HydrophobicContact CE2-CD2 4.31Å; F143-L535 HydrophobicContact CE2-CG 4.37Å; F143-L535 HydrophobicContact CZ-CD2 3.9Å; F143-L535 HydrophobicContact CZ-CG 4.22Å
144	V	98.3	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	100.8	168.1	179.7	0	0	0	0	107.4	V61 M121 I125 L142 L169 N181 I182 E183	V61-V144 HydrophobicContact CB-CG1 4.44Å; V61-V144 HydrophobicContact CB-CG2 4.2Å; V61-V144 HydrophobicContact CG2-CG2 4.22Å; M121-V144 HydrophobicContact CE-CG1 3.6Å; M121-V144 HydrophobicContact CG-CG1 4.45Å; M121-V144 HydrophobicContact CG-CG2 4.36Å; M121-V144 HydrophobicContact SD-CG1 3.92Å; M121-V144 HydrophobicContact SD-CG2 4.16Å; I125-V144 HydrophobicContact CD1-CG2 4.16Å; L142-V144 HydrophobicContact CD1-CG2 4.33Å; L142-V144 HydrophobicContact CG-CG2 4.49Å; V144-L169 HydrophobicContact CG2-CD1 3.73Å; V144-N181 PolarHBondContact N-O 3.01Å; V144-I182 HydrophobicContact CB-CG1 4.26Å; V144-I182 HydrophobicContact CB-CG2 4.3Å; V144-I182 WeakPolarHBondContact O-CA 3.43Å; V144-E183 PolarHBondContact O-N 2.84Å; V144-E183 VanDerWaalsContact O-N 3.12Å
145	L	98.4	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108	-169	-64.4	-177.9	0	0	0	108.3	V61 A63 F143 E183 I185 W526 A530	V61-L145 PolarHBondContact O-N 3.01Å; A63-L145 PolarHBondContact N-O 3.38Å; F143-L145 HydrophobicContact CB-CD1 4.3Å; F143-L145 HydrophobicContact CB-CG 4.13Å; L145-E183 WeakPolarHBondContact CA-O 3.45Å; L145-E183 HydrophobicContact CD2-CG 3.73Å; L145-I185 HydrophobicContact CB-CG2 4.12Å; L145-I185 HydrophobicContact CD1-CG2 4.43Å; L145-I185 HydrophobicContact CD2-CG2 3.9Å; L145-I185 HydrophobicContact CG-CG2 4.35Å; L145-W526 HydrophobicContact CB-CH2 3.55Å; L145-W526 HydrophobicContact CB-CZ3 4.07Å; L145-W526 HydrophobicContact CD1-CH2 4.1Å; L145-W526 HydrophobicContact CD1-CZ3 3.74Å; L145-W526 HydrophobicContact CG-CH2 4.47Å; L145-A530 HydrophobicContact CD1-CB 4.18Å
146	A	98.3	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.2	-177.8	0	0	0	0	0	112.2	A63 L107 M150 M162 E183 I184 I185	A63-A146 HydrophobicContact CB-CB 3.94Å; L107-A146 HydrophobicContact CD2-CB 4.26Å; A146-M150 HydrophobicContact CB-CB 3.94Å; A146-M150 HydrophobicContact CB-CG 3.58Å; A146-M162 HydrophobicContact CB-SD 4.49Å; A146-E183 PolarHBondContact N-O 3.44Å; A146-I184 HydrophobicContact CB-CG1 4.07Å; A146-I184 CarbonylContact O-C 3.57Å; A146-I184 WeakPolarHBondContact O-CA 3.49Å; A146-I185 PolarHBondContact O-N 3.15Å
147	T	97.4	Very high	97.1	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.037	20%	0.195	C	C	.	.			trans	-108.1	-151.2	-173.6	65.7	0	0	0	0	111.8	A63 G64 G149 M150 R151 I185 E190 W526	A63-T147 PolarHBondContact O-N 3.14Å; G64-T147 WeakPolarHBondContact CA-OG1 3.11Å; T147-G149 PolarHBondContact O-N 2.83Å; T147-G149 VanDerWaalsContact O-N 3.08Å; T147-M150 PolarHBondContact O-N 2.85Å; T147-M150 VanDerWaalsContact O-N 3.1Å; T147-R151 PolarHBondContact O-N 3.5Å; T147-I185 HydrophobicContact CG2-CD1 4.26Å; T147-I185 HydrophobicContact CG2-CG1 4.35Å; T147-E190 WeakPolarHBondContact CB-OE2 3.49Å; T147-E190 HydrophobicContact CG2-CG 4.46Å; T147-W526 HydrophobicContact CG2-CH2 4.46Å; T147-W526 HydrophobicContact CG2-CZ2 3.56Å
148	A	97	Very high	97.1	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-50.1	-35.8	-172.6	0	0	0	0	0	115	M150 R151 L152 A238 S239 L284	A148-M150 VanDerWaalsContact C-N 3.3Å; A148-M150 PolarHBondContact O-N 2.92Å; A148-R151 WeakPolarHBondContact O-CB 3.32Å; A148-R151 PolarHBondContact O-N 3.15Å; A148-L152 WeakPolarHBondContact O-CG 3.47Å; A148-L152 PolarHBondContact O-N 2.76Å; A148-A238 HydrophobicContact CB-CB 3.64Å; A148-S239 WeakPolarHBondContact CB-OG 3.23Å; A148-L284 HydrophobicContact CB-CD1 3.71Å
149	G	96.3	Very high	97.2	Very high	6 Å²	6	36.4 Å²	36.4	6%	0.062	19%	0.187	C	C	.	.	H	α-helix	trans	-56.7	-42.9	179.5	0	0	0	0	0	112.9	S108 T147	S108-G149 VanDerWaalsContact CB-C 3.47Å; S108-G149 WeakPolarHBondContact CB-O 3.35Å; T147-G149 PolarHBondContact O-N 2.83Å; T147-G149 VanDerWaalsContact O-N 3.08Å
150	M	97.8	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-78.3	-25.2	176.6	-68.9	-60.4	-70.1	0	0	112.8	L107 S108 A146 T147 A148 L152 L153 R158 V161 M162 I184	L107-M150 HydrophobicContact CB-CG 4.43Å; L107-M150 HydrophobicContact CB-SD 4.25Å; L107-M150 HydrophobicContact CD2-CG 4.17Å; L107-M150 HydrophobicContact CD2-SD 4.22Å; L107-M150 HydrophobicContact CG-CG 4.36Å; L107-M150 HydrophobicContact CG-SD 3.92Å; S108-M150 WeakPolarHBondContact CA-SD 3.48Å; A146-M150 HydrophobicContact CB-CB 3.94Å; A146-M150 HydrophobicContact CB-CG 3.58Å; T147-M150 PolarHBondContact O-N 2.85Å; T147-M150 VanDerWaalsContact O-N 3.1Å; A148-M150 VanDerWaalsContact C-N 3.3Å; A148-M150 PolarHBondContact O-N 2.92Å; M150-L152 VanDerWaalsContact C-N 3.28Å; M150-L152 PolarHBondContact O-N 2.61Å; M150-L153 HydrophobicContact CE-CD1 4.01Å; M150-L153 PolarHBondContact O-N 3.44Å; M150-L153 HydrophobicContact SD-CD1 3.73Å; M150-R158 HydrophobicContact CE-CB 3.92Å; M150-R158 WeakPolarHBondContact O-CD 3.32Å; M150-V161 HydrophobicContact CE-CB 3.86Å; M150-V161 HydrophobicContact CE-CG1 3.74Å; M150-V161 HydrophobicContact CE-CG2 4.42Å; M150-M162 HydrophobicContact CE-SD 4.24Å; M150-I184 HydrophobicContact CB-CD1 3.93Å; M150-I184 HydrophobicContact CB-CG1 3.96Å; M150-I184 HydrophobicContact CB-CG2 4.21Å
151	R	97.4	Very high	97.5	Very high	35 Å²	35	37.4 Å²	37.4	13%	0.132	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-30.7	174.9	-66	-174.2	-90.1	142.2	-3.5	112	T147 A148 R158 I184 I185 E190 S239 L284	T147-R151 PolarHBondContact O-N 3.5Å; A148-R151 WeakPolarHBondContact O-CB 3.32Å; A148-R151 PolarHBondContact O-N 3.15Å; R151-R158 PolarHBondContact O-NH1 3.02Å; R151-R158 VanDerWaalsContact O-NH1 3.17Å; R151-I184 HydrophobicContact CG-CG2 3.52Å; R151-I185 WeakPolarHBondContact CD-O 3.26Å; R151-I185 PolarHBondContact NE-O 2.96Å; R151-E190 IonicContact CZ-OE2 2.86Å; R151-E190 IonicContact NH2-OE2 2.63Å; R151-E190 PolarHBondContact NH2-OE2 3.42Å; R151-S239 PolarHBondContact NH2-OG 3.14Å; R151-L284 HydrophobicContact CB-CD1 4.37Å; R151-L284 HydrophobicContact CB-CD2 4.26Å
152	L	95	Very high	97.5	Very high	90 Å²	90	37.8 Å²	37.8	47%	0.471	19%	0.192	S	C	.	.	S	Bend	trans	-76.2	-18.6	177.8	-69.7	172.3	0	0	0	114.3	A148 M150 A238 L284 T290	A148-L152 WeakPolarHBondContact O-CG 3.47Å; A148-L152 PolarHBondContact O-N 2.76Å; M150-L152 VanDerWaalsContact C-N 3.28Å; M150-L152 PolarHBondContact O-N 2.61Å; L152-A238 HydrophobicContact CD1-CB 3.89Å; L152-L284 HydrophobicContact CD2-CD1 4.07Å; L152-L284 HydrophobicContact CD2-CD2 4.02Å; L152-L284 HydrophobicContact CD2-CG 3.87Å; L152-L284 HydrophobicContact CG-CD1 4.14Å; L152-L284 HydrophobicContact CG-CG 4.48Å; L152-T290 HydrophobicContact CD1-CG2 4.02Å
153	L	96.3	Very high	97.5	Very high	31 Å²	31	43.7 Å²	43.7	16%	0.162	22%	0.218	C	C	.	.	S	Bend	trans	-73.3	152.3	177.2	-68	-176.5	0	0	0	111.8	M150 R158	M150-L153 HydrophobicContact CE-CD1 4.01Å; M150-L153 PolarHBondContact O-N 3.44Å; M150-L153 HydrophobicContact SD-CD1 3.73Å; L153-R158 HydrophobicContact CB-CB 4.17Å
154	P	97.3	Very high	97.5	Very high	73 Å²	73	43.8 Å²	43.8	47%	0.474	22%	0.219	S	C	.	.			trans	-52	143.9	167.9	-26.2	35.8	0	0	0	111.9	Q156 E157 R158	P154-Q156 PolarHBondContact O-N 2.58Å; P154-Q156 VanDerWaalsContact O-N 3.14Å; P154-E157 HydrophobicContact CB-CG 4.49Å; P154-E157 PolarHBondContact O-N 3.3Å; P154-E157 VanDerWaalsContact O-N 3.11Å; P154-R158 PolarHBondContact O-N 3.28Å; P154-R158 VanDerWaalsContact O-N 3.12Å
155	V	97.7	Very high	97.5	Very high	89 Å²	89	43.8 Å²	43.8	54%	0.539	22%	0.219	S	C	.	.	H	α-helix	trans	-54.3	-39.6	-175.8	-177	0	0	0	0	111.8	R158 T159	V155-R158 WeakPolarHBondContact O-CG 3.42Å; V155-T159 VanDerWaalsContact O-CB 3.24Å; V155-T159 WeakPolarHBondContact O-CB 3.3Å; V155-T159 PolarHBondContact O-N 2.63Å; V155-T159 PolarHBondContact O-OG1 3.41Å
156	Q	97.7	Very high	97.4	Very high	149 Å²	149	46.1 Å²	46.1	70%	0.696	23%	0.23	S	C	*	.	H	α-helix	trans	-64.6	-45.7	-179.5	-62.1	-177.8	14.9	0	0	112.6	P154 K160	P154-Q156 PolarHBondContact O-N 2.58Å; P154-Q156 VanDerWaalsContact O-N 3.14Å; Q156-K160 VanDerWaalsContact O-CG 3.28Å; Q156-K160 WeakPolarHBondContact O-CG 3.5Å; Q156-K160 PolarHBondContact O-N 3.41Å
157	E	98.2	Very high	97.3	Very high	46 Å²	46	54.6 Å²	54.6	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-52.2	179.8	-72.6	179.4	-141.4	0	0	110.9	N112 P154 T159 K160 V161	N112-E157 PolarHBondContact OD1-OE1 3.37Å; N112-E157 PolarHBondContact OD1-OE2 3.19Å; P154-E157 HydrophobicContact CB-CG 4.49Å; P154-E157 PolarHBondContact O-N 3.3Å; P154-E157 VanDerWaalsContact O-N 3.11Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.42Å; E157-K160 PolarHBondContact O-N 3.05Å; E157-K160 VanDerWaalsContact O-N 3.16Å; E157-V161 PolarHBondContact O-N 3.12Å
158	R	97.2	Very high	97.2	Very high	71 Å²	71	55.2 Å²	55.2	27%	0.268	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-39.4	-179.2	73.8	-171.4	-172.8	-171.1	2.9	111.9	M150 R151 L153 P154 V155 V161 M162 I184	M150-R158 HydrophobicContact CE-CB 3.92Å; M150-R158 WeakPolarHBondContact O-CD 3.32Å; R151-R158 PolarHBondContact O-NH1 3.02Å; R151-R158 VanDerWaalsContact O-NH1 3.17Å; L153-R158 HydrophobicContact CB-CB 4.17Å; P154-R158 PolarHBondContact O-N 3.28Å; P154-R158 VanDerWaalsContact O-N 3.12Å; V155-R158 WeakPolarHBondContact O-CG 3.42Å; R158-V161 PolarHBondContact O-N 3.11Å; R158-M162 VanDerWaalsContact O-CG 3.27Å; R158-M162 WeakPolarHBondContact O-CG 3.42Å; R158-M162 PolarHBondContact O-N 2.93Å; R158-I184 HydrophobicContact CB-CD1 3.74Å; R158-I184 HydrophobicContact CG-CD1 3.87Å
159	T	97.7	Very high	97.2	Very high	56 Å²	56	55.1 Å²	55.1	34%	0.344	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.3	-66.4	0	0	0	0	112.1	V155 E157 M162 K163	V155-T159 VanDerWaalsContact O-CB 3.24Å; V155-T159 WeakPolarHBondContact O-CB 3.3Å; V155-T159 PolarHBondContact O-N 2.63Å; V155-T159 PolarHBondContact O-OG1 3.41Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.42Å; T159-M162 PolarHBondContact O-N 3.35Å; T159-K163 HydrophobicContact CG2-CD 3.97Å; T159-K163 HydrophobicContact CG2-CG 4.31Å; T159-K163 WeakPolarHBondContact O-CB 3.45Å; T159-K163 WeakPolarHBondContact O-CG 3.22Å; T159-K163 PolarHBondContact O-N 2.78Å
160	K	98.2	Very high	97.1	Very high	125 Å²	125	57.5 Å²	57.5	54%	0.543	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-47.2	176	-75	173.2	-177.9	178.6	0	111.4	P114 Q156 E157 A164	P114-K160 HydrophobicContact CG-CB 3.84Å; Q156-K160 VanDerWaalsContact O-CG 3.28Å; Q156-K160 WeakPolarHBondContact O-CG 3.5Å; Q156-K160 PolarHBondContact O-N 3.41Å; E157-K160 PolarHBondContact O-N 3.05Å; E157-K160 VanDerWaalsContact O-N 3.16Å; K160-A164 WeakPolarHBondContact O-CB 3.11Å; K160-A164 PolarHBondContact O-N 2.85Å
161	V	98.4	Very high	96.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-50.4	177.1	172.5	0	0	0	0	111.3	L107 F110 P114 A117 M150 E157 R158 K163 A164 L165	L107-V161 HydrophobicContact CD1-CG1 4.36Å; L107-V161 HydrophobicContact CG-CG1 4.4Å; F110-V161 WeakPolarHBondContact O-CG2 3.44Å; P114-V161 HydrophobicContact CG-CG2 4.36Å; A117-V161 HydrophobicContact CB-CG1 3.8Å; A117-V161 HydrophobicContact CB-CG2 4.5Å; M150-V161 HydrophobicContact CE-CB 3.86Å; M150-V161 HydrophobicContact CE-CG1 3.74Å; M150-V161 HydrophobicContact CE-CG2 4.42Å; E157-V161 PolarHBondContact O-N 3.12Å; R158-V161 PolarHBondContact O-N 3.11Å; V161-K163 PolarHBondContact O-N 2.89Å; V161-A164 PolarHBondContact O-N 2.83Å; V161-L165 HydrophobicContact CG1-CD1 4.06Å; V161-L165 WeakPolarHBondContact O-CG 3.47Å; V161-L165 PolarHBondContact O-N 2.64Å
162	M	97.8	Very high	96.9	Very high	11 Å²	11	62.7 Å²	62.7	5%	0.054	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-40.9	-177.8	-64.3	-44.8	-63.1	0	0	112.4	A146 M150 R158 T159 A164 L165 Q166 I182 I184	A146-M162 HydrophobicContact CB-SD 4.49Å; M150-M162 HydrophobicContact CE-SD 4.24Å; R158-M162 VanDerWaalsContact O-CG 3.27Å; R158-M162 WeakPolarHBondContact O-CG 3.42Å; R158-M162 PolarHBondContact O-N 2.93Å; T159-M162 PolarHBondContact O-N 3.35Å; M162-A164 VanDerWaalsContact C-N 3.34Å; M162-A164 PolarHBondContact O-N 2.93Å; M162-L165 PolarHBondContact O-N 2.7Å; M162-L165 HydrophobicContact SD-CD1 4.26Å; M162-Q166 WeakPolarHBondContact O-CB 3.06Å; M162-Q166 VanDerWaalsContact O-CG 3.27Å; M162-Q166 WeakPolarHBondContact O-CG 3.2Å; M162-Q166 PolarHBondContact O-N 2.81Å; M162-I182 HydrophobicContact CE-CG2 3.73Å; M162-I184 HydrophobicContact CE-CG1 4.45Å; M162-I184 HydrophobicContact CG-CD1 3.76Å; M162-I184 HydrophobicContact CG-CG1 3.76Å; M162-I184 HydrophobicContact SD-CD1 4.35Å; M162-I184 HydrophobicContact SD-CG1 3.87Å
163	K	97.2	Very high	96.9	Very high	124 Å²	124	59.3 Å²	59.3	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-36	175.4	-75	-176.4	175.5	-174.1	0	112.7	T159 V161 R167	T159-K163 HydrophobicContact CG2-CD 3.97Å; T159-K163 HydrophobicContact CG2-CG 4.31Å; T159-K163 WeakPolarHBondContact O-CB 3.45Å; T159-K163 WeakPolarHBondContact O-CG 3.22Å; T159-K163 PolarHBondContact O-N 2.78Å; V161-K163 PolarHBondContact O-N 2.89Å; K163-R167 WeakPolarHBondContact O-CG 3.44Å; K163-R167 PolarHBondContact O-N 3.04Å; K163-R167 PolarHBondContact O-NE 3.42Å
164	A	97.7	Very high	96.8	Very high	5 Å²	5	63 Å²	63	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-45	174.6	0	0	0	0	0	111	P114 V118 K160 V161 M162 A168	P114-A164 HydrophobicContact CB-CB 3.66Å; V118-A164 HydrophobicContact CG2-CB 3.9Å; K160-A164 WeakPolarHBondContact O-CB 3.11Å; K160-A164 PolarHBondContact O-N 2.85Å; V161-A164 PolarHBondContact O-N 2.83Å; M162-A164 VanDerWaalsContact C-N 3.34Å; M162-A164 PolarHBondContact O-N 2.93Å; A164-A168 WeakPolarHBondContact O-CB 3.34Å; A164-A168 PolarHBondContact O-N 2.91Å
165	L	98	Very high	96.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-48.2	176.1	-68.6	173.6	0	0	0	112.5	L107 V118 M121 V161 M162 R167 A168 L169 I182	L107-L165 HydrophobicContact CD1-CD1 4.33Å; L107-L165 HydrophobicContact CD2-CD1 3.92Å; V118-L165 HydrophobicContact CG2-CD2 4.12Å; M121-L165 HydrophobicContact CB-CD2 3.63Å; M121-L165 HydrophobicContact CG-CD2 3.95Å; V161-L165 HydrophobicContact CG1-CD1 4.06Å; V161-L165 WeakPolarHBondContact O-CG 3.47Å; V161-L165 PolarHBondContact O-N 2.64Å; M162-L165 PolarHBondContact O-N 2.7Å; M162-L165 HydrophobicContact SD-CD1 4.26Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.35Å; L165-A168 PolarHBondContact O-N 2.89Å; L165-L169 HydrophobicContact CB-CD1 4.3Å; L165-L169 HydrophobicContact CD2-CD1 4.36Å; L165-L169 VanDerWaalsContact O-CB 3.25Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.38Å; L165-L169 PolarHBondContact O-N 2.98Å; L165-I182 HydrophobicContact CB-CG2 3.94Å
166	Q	96.9	Very high	96.5	Very high	49 Å²	49	59 Å²	59	23%	0.229	30%	0.299	C	S	.	.	H	α-helix	trans	-54.1	-49.3	178.5	-77.2	168.9	-21.1	0	0	111.6	M162 A170 I182	M162-Q166 WeakPolarHBondContact O-CB 3.06Å; M162-Q166 VanDerWaalsContact O-CG 3.27Å; M162-Q166 WeakPolarHBondContact O-CG 3.2Å; M162-Q166 PolarHBondContact O-N 2.81Å; Q166-A170 VanDerWaalsContact O-CB 3.29Å; Q166-A170 WeakPolarHBondContact O-CB 3.42Å; Q166-A170 PolarHBondContact O-N 3.29Å; Q166-I182 HydrophobicContact CG-CB 3.78Å; Q166-I182 HydrophobicContact CG-CG2 3.71Å; Q166-I182 PolarHBondContact NE2-O 2.74Å
167	R	95.4	Very high	96.3	Very high	179 Å²	179	53.5 Å²	53.5	68%	0.675	28%	0.275	S	S	*	.	H	α-helix	trans	-66.3	-52.2	178.1	-68.7	-174.8	-60.5	165.4	6	112.3	K163 L165 S171	K163-R167 WeakPolarHBondContact O-CG 3.44Å; K163-R167 PolarHBondContact O-N 3.04Å; K163-R167 PolarHBondContact O-NE 3.42Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.35Å; R167-S171 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-OG 2.93Å
168	A	97	Very high	95.8	Very high	19 Å²	19	53.5 Å²	53.5	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-36.5	-170.9	0	0	0	0	0	112.9	V118 A164 L165 S171 S172	V118-A168 HydrophobicContact CB-CB 4.35Å; V118-A168 HydrophobicContact CG1-CB 3.49Å; V118-A168 VanDerWaalsContact CG1-CB 3.49Å; V118-A168 HydrophobicContact CG2-CB 3.83Å; A164-A168 WeakPolarHBondContact O-CB 3.34Å; A164-A168 PolarHBondContact O-N 2.91Å; L165-A168 PolarHBondContact O-N 2.89Å; A168-S171 PolarHBondContact O-OG 2.65Å; A168-S172 WeakPolarHBondContact O-CB 3.4Å; A168-S172 PolarHBondContact O-N 2.8Å; A168-S172 PolarHBondContact O-OG 2.98Å
169	L	96.4	Very high	95.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-74.3	-40.1	-179.1	-61.7	-179.5	0	0	0	111.3	M121 K122 I125 L142 V144 L165 S171 S172 Y173 I182	M121-L169 HydrophobicContact CG-CD1 4.01Å; M121-L169 HydrophobicContact CG-CD2 4.3Å; K122-L169 HydrophobicContact CG-CD2 4.21Å; I125-L169 HydrophobicContact CD1-CD1 4.02Å; I125-L169 HydrophobicContact CD1-CD2 3.79Å; L142-L169 HydrophobicContact CD2-CB 4.5Å; V144-L169 HydrophobicContact CG2-CD1 3.73Å; L165-L169 HydrophobicContact CB-CD1 4.3Å; L165-L169 HydrophobicContact CD2-CD1 4.36Å; L165-L169 VanDerWaalsContact O-CB 3.25Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.38Å; L165-L169 PolarHBondContact O-N 2.98Å; L169-S171 PolarHBondContact O-N 3.25Å; L169-S172 PolarHBondContact O-N 3.17Å; L169-Y173 HydrophobicContact CB-CD2 4.49Å; L169-Y173 HydrophobicContact CD2-CD2 4.22Å; L169-Y173 HydrophobicContact CD2-CE2 3.65Å; L169-Y173 WeakPolarHBondContact O-CD2 3.44Å; L169-Y173 PolarHBondContact O-N 3.03Å; L169-I182 HydrophobicContact CB-CD1 3.9Å; L169-I182 HydrophobicContact CD1-CD1 3.87Å; L169-I182 HydrophobicContact CD1-CG1 4.49Å; L169-I182 HydrophobicContact CG-CD1 4.43Å
170	A	94	Very high	94.6	Very high	55 Å²	55	58.9 Å²	58.9	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-33.3	175.2	0	0	0	0	0	112.7	Q166 V177	Q166-A170 VanDerWaalsContact O-CB 3.29Å; Q166-A170 WeakPolarHBondContact O-CB 3.42Å; Q166-A170 PolarHBondContact O-N 3.29Å; A170-V177 HydrophobicContact CB-CB 4.31Å; A170-V177 HydrophobicContact CB-CG1 4.06Å
171	S	94.4	Very high	94.5	Very high	98 Å²	98	53.7 Å²	53.7	69%	0.685	29%	0.289	S	S	*	.	H	α-helix	trans	-87.1	-14.5	179.3	74.4	0	0	0	0	114.6	R167 A168 L169	R167-S171 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-OG 2.93Å; A168-S171 PolarHBondContact O-OG 2.65Å; L169-S171 PolarHBondContact O-N 3.25Å
172	S	95.5	Very high	94.4	Very high	47 Å²	47	53.7 Å²	53.7	33%	0.329	29%	0.289	S	S	.	.	H	α-helix	trans	-104.8	-13.7	-170.5	-57.5	0	0	0	0	114.2	K122 A168 L169	K122-S172 WeakPolarHBondContact CE-OG 3.49Å; K122-S172 PolarHBondContact NZ-OG 3.16Å; A168-S172 WeakPolarHBondContact O-CB 3.4Å; A168-S172 PolarHBondContact O-N 2.8Å; A168-S172 PolarHBondContact O-OG 2.98Å; L169-S172 PolarHBondContact O-N 3.17Å
173	Y	95.1	Very high	94.4	Very high	18 Å²	18	56.1 Å²	56.1	7%	0.071	30%	0.3	C	S	.	.			trans	-133.6	143.8	-176	-59.6	-76.5	0	0	0	110.4	K122 I125 N126 L129 L142 L169 F175	K122-Y173 VanDerWaalsContact CA-OH 3.3Å; K122-Y173 WeakPolarHBondContact CA-OH 3.33Å; K122-Y173 WeakPolarHBondContact CB-OH 3.48Å; K122-Y173 HydrophobicContact CG-CE2 4.3Å; K122-Y173 PolarHBondContact O-OH 3.5Å; I125-Y173 HydrophobicContact CB-CE1 4.47Å; I125-Y173 HydrophobicContact CB-CE2 4.39Å; I125-Y173 HydrophobicContact CD1-CE2 4.45Å; I125-Y173 HydrophobicContact CG2-CD1 4.16Å; I125-Y173 HydrophobicContact CG2-CD2 4.36Å; I125-Y173 HydrophobicContact CG2-CE1 3.72Å; I125-Y173 HydrophobicContact CG2-CE2 3.94Å; I125-Y173 HydrophobicContact CG2-CG 4.47Å; N126-Y173 WeakPolarHBondContact OD1-CE1 3.3Å; N126-Y173 PolarHBondContact OD1-OH 3.01Å; L129-Y173 HydrophobicContact CD1-CD1 4.34Å; L129-Y173 HydrophobicContact CD1-CE1 4.31Å; L142-Y173 HydrophobicContact CD2-CD2 4.44Å; L169-Y173 HydrophobicContact CB-CD2 4.49Å; L169-Y173 HydrophobicContact CD2-CD2 4.22Å; L169-Y173 HydrophobicContact CD2-CE2 3.65Å; L169-Y173 WeakPolarHBondContact O-CD2 3.44Å; L169-Y173 PolarHBondContact O-N 3.03Å; Y173-F175 HydrophobicContact CD1-CD2 4.24Å; Y173-F175 HydrophobicContact CD1-CE2 4.01Å; Y173-F175 AromaticContact CG-CD2 3.95Å; Y173-F175 HydrophobicContact CG-CD2 3.95Å; Y173-F175 HydrophobicContact CG-CE2 4.19Å; Y173-F175 PolarHBondContact O-N 3.05Å
174	D	94.5	Very high	94.4	Very high	109 Å²	109	52.3 Å²	52.3	58%	0.583	29%	0.285	S	S	*	.	S	Bend	trans	-76.2	6.2	173.2	-80.9	-11.6	0	0	0	113	V137 K138	V137-D174 HydrophobicContact CG1-CB 4.07Å; K138-D174 VanDerWaalsContact CA-O 3.28Å; K138-D174 WeakPolarHBondContact CA-O 3.22Å; K138-D174 HydrophobicContact CG-CB 4.06Å
175	F	96.1	Very high	94.4	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	28%	0.284	C	S	.	.	S	Bend	trans	-67.6	158.1	177.2	-62.3	-43.5	0	0	0	112.4	V59 I125 L129 I132 V137 T140 L142 Y173 V177	V59-F175 HydrophobicContact CG2-CZ 4.43Å; I125-F175 HydrophobicContact CG2-CE2 3.88Å; L129-F175 HydrophobicContact CD2-CE1 3.94Å; L129-F175 HydrophobicContact CD2-CE2 4.18Å; L129-F175 HydrophobicContact CD2-CZ 3.44Å; L129-F175 VanDerWaalsContact CD2-CZ 3.44Å; L129-F175 HydrophobicContact CG-CZ 4.14Å; I132-F175 HydrophobicContact CD1-CE1 3.67Å; I132-F175 HydrophobicContact CD1-CZ 3.75Å; V137-F175 HydrophobicContact CG1-CD1 4.15Å; V137-F175 HydrophobicContact CG1-CE1 3.92Å; V137-F175 WeakPolarHBondContact O-CD1 3.43Å; T140-F175 HydrophobicContact CG2-CD1 3.83Å; T140-F175 HydrophobicContact CG2-CE1 3.88Å; T140-F175 CarbonylContact O-C 3.56Å; T140-F175 WeakPolarHBondContact O-CA 3.46Å; T140-F175 WeakPolarHBondContact O-CB 3.42Å; L142-F175 HydrophobicContact CB-CB 3.8Å; L142-F175 HydrophobicContact CB-CD2 3.91Å; L142-F175 HydrophobicContact CB-CG 4.1Å; L142-F175 HydrophobicContact CD2-CD2 3.97Å; L142-F175 HydrophobicContact CG-CD2 4.39Å; Y173-F175 HydrophobicContact CD1-CD2 4.24Å; Y173-F175 HydrophobicContact CD1-CE2 4.01Å; Y173-F175 AromaticContact CG-CD2 3.95Å; Y173-F175 HydrophobicContact CG-CD2 3.95Å; Y173-F175 HydrophobicContact CG-CE2 4.19Å; Y173-F175 PolarHBondContact O-N 3.05Å; F175-V177 HydrophobicContact CB-CG2 4.22Å; F175-V177 PolarHBondContact O-N 3.17Å
176	I	94.1	Very high	94.4	Very high	64 Å²	64	54.8 Å²	54.8	33%	0.328	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-70.7	103.3	165.9	-56	178.8	0	0	0	108.2	Q139 T140 L142	Q139-I176 VanDerWaalsContact O-CD1 3.29Å; Q139-I176 WeakPolarHBondContact O-CD1 3.35Å; T140-I176 PolarHBondContact O-N 3.26Å; L142-I176 PolarHBondContact N-O 3.46Å; L142-I176 VanDerWaalsContact N-O 3.13Å
177	V	92	Very high	94.4	Very high	34 Å²	34	52.6 Å²	52.6	21%	0.206	29%	0.293	C	S	.	.			trans	-115	120.7	176.3	-177.7	0	0	0	0	108.8	L142 A170 F175 I182	L142-V177 HydrophobicContact CB-CG2 4.16Å; L142-V177 HydrophobicContact CD2-CG2 4.04Å; A170-V177 HydrophobicContact CB-CB 4.31Å; A170-V177 HydrophobicContact CB-CG1 4.06Å; F175-V177 HydrophobicContact CB-CG2 4.22Å; F175-V177 PolarHBondContact O-N 3.17Å; V177-I182 HydrophobicContact CG1-CD1 3.34Å; V177-I182 HydrophobicContact CG1-CG1 4.17Å
178	S	87.9	Confident	94.4	Very high	46 Å²	46	46.4 Å²	46.4	32%	0.322	27%	0.271	S	S	.	.			trans	-118.1	163.5	168.1	69.7	0	0	0	0	110.1	T180 N181	S178-T180 PolarHBondContact O-N 3.48Å; S178-T180 PolarHBondContact OG-OG1 2.84Å; S178-N181 WeakPolarHBondContact O-CB 3.34Å; S178-N181 PolarHBondContact O-N 3.35Å; S178-N181 PolarHBondContact OG-N 3.28Å; S178-N181 PolarHBondContact OG-ND2 2.95Å; S178-N181 PolarHBondContact OG-OD1 3.41Å; S178-N181 VanDerWaalsContact OG-OD1 3.11Å
179	E	82.6	Confident	94.4	Very high	153 Å²	153	48.6 Å²	48.6	72%	0.715	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-58	-38	176.2	-64.8	-172.4	170	0	0	112.1	N181 I182	E179-N181 PolarHBondContact O-N 3.46Å; E179-I182 CarbonylContact O-C 3.28Å; E179-I182 PolarHBondContact O-N 2.82Å; E179-I182 VanDerWaalsContact O-O 3.05Å
180	T	88.1	Confident	94.5	Very high	88 Å²	88	49 Å²	49	54%	0.54	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-69	-16.2	176.8	58.3	0	0	0	0	113.1	S178 R534	S178-T180 PolarHBondContact O-N 3.48Å; S178-T180 PolarHBondContact OG-OG1 2.84Å; T180-R534 PolarHBondContact O-NH1 2.89Å
181	N	95.3	Very high	94.7	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.08	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-86	-16.6	176.6	-65	-3.4	0	0	0	112.2	L142 F143 V144 S178 E179	L142-N181 WeakPolarHBondContact O-CB 3.35Å; F143-N181 CarbonylContact C-O 3.48Å; F143-N181 VanDerWaalsContact CA-O 3.29Å; F143-N181 WeakPolarHBondContact CA-O 3.48Å; F143-N181 HydrophobicContact CD1-CB 3.77Å; F143-N181 HydrophobicContact CE1-CB 4.15Å; F143-N181 VanDerWaalsContact CE1-CG 3.47Å; F143-N181 WeakPolarHBondContact CE1-OD1 3.47Å; F143-N181 HydrophobicContact CG-CB 4.43Å; V144-N181 PolarHBondContact N-O 3.01Å; S178-N181 WeakPolarHBondContact O-CB 3.34Å; S178-N181 PolarHBondContact O-N 3.35Å; S178-N181 PolarHBondContact OG-N 3.28Å; S178-N181 PolarHBondContact OG-ND2 2.95Å; S178-N181 PolarHBondContact OG-OD1 3.41Å; S178-N181 VanDerWaalsContact OG-OD1 3.11Å; E179-N181 PolarHBondContact O-N 3.46Å
182	I	97.4	Very high	94.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	90.6	179.1	-57.9	169.9	0	0	0	108.4	V144 M162 L165 Q166 L169 V177 E179	V144-I182 HydrophobicContact CB-CG1 4.26Å; V144-I182 HydrophobicContact CB-CG2 4.3Å; V144-I182 WeakPolarHBondContact O-CA 3.43Å; M162-I182 HydrophobicContact CE-CG2 3.73Å; L165-I182 HydrophobicContact CB-CG2 3.94Å; Q166-I182 HydrophobicContact CG-CB 3.78Å; Q166-I182 HydrophobicContact CG-CG2 3.71Å; Q166-I182 PolarHBondContact NE2-O 2.74Å; L169-I182 HydrophobicContact CB-CD1 3.9Å; L169-I182 HydrophobicContact CD1-CD1 3.87Å; L169-I182 HydrophobicContact CD1-CG1 4.49Å; L169-I182 HydrophobicContact CG-CD1 4.43Å; V177-I182 HydrophobicContact CG1-CD1 3.34Å; V177-I182 HydrophobicContact CG1-CG1 4.17Å; E179-I182 CarbonylContact O-C 3.28Å; E179-I182 PolarHBondContact O-N 2.82Å; E179-I182 VanDerWaalsContact O-O 3.05Å
183	E	97	Very high	95	Very high	62 Å²	62	39.7 Å²	39.7	29%	0.29	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	168	-172.5	68.5	177.4	159	0	0	113.4	V144 L145 A146 I185 R534	V144-E183 PolarHBondContact O-N 2.84Å; V144-E183 VanDerWaalsContact O-N 3.12Å; L145-E183 WeakPolarHBondContact CA-O 3.45Å; L145-E183 HydrophobicContact CD2-CG 3.73Å; A146-E183 PolarHBondContact N-O 3.44Å; E183-I185 HydrophobicContact CG-CG2 4.08Å; E183-R534 IonicContact OE1-CZ 2.89Å; E183-R534 IonicContact OE1-NH1 3.5Å; E183-R534 PolarHBondContact OE1-NH1 2.98Å; E183-R534 IonicContact OE1-NH2 3.76Å; E183-R534 PolarHBondContact OE1-NH2 3.46Å
184	I	98	Very high	95.2	Very high	43 Å²	43	38.8 Å²	38.8	22%	0.221	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.5	168.9	-57.8	165.8	0	0	0	106.8	A146 M150 R151 R158 M162	A146-I184 HydrophobicContact CB-CG1 4.07Å; A146-I184 CarbonylContact O-C 3.57Å; A146-I184 WeakPolarHBondContact O-CA 3.49Å; M150-I184 HydrophobicContact CB-CD1 3.93Å; M150-I184 HydrophobicContact CB-CG1 3.96Å; M150-I184 HydrophobicContact CB-CG2 4.21Å; R151-I184 HydrophobicContact CG-CG2 3.52Å; R158-I184 HydrophobicContact CB-CD1 3.74Å; R158-I184 HydrophobicContact CG-CD1 3.87Å; M162-I184 HydrophobicContact CE-CG1 4.45Å; M162-I184 HydrophobicContact CG-CD1 3.76Å; M162-I184 HydrophobicContact CG-CG1 3.76Å; M162-I184 HydrophobicContact SD-CD1 4.35Å; M162-I184 HydrophobicContact SD-CG1 3.87Å
185	I	97.6	Very high	95.3	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.026	18%	0.176	C	C	.	.			trans	-73	144.6	-179.4	62.2	171.2	0	0	0	110.5	L145 A146 T147 R151 E183 E190 Y193 W526	L145-I185 HydrophobicContact CB-CG2 4.12Å; L145-I185 HydrophobicContact CD1-CG2 4.43Å; L145-I185 HydrophobicContact CD2-CG2 3.9Å; L145-I185 HydrophobicContact CG-CG2 4.35Å; A146-I185 PolarHBondContact O-N 3.15Å; T147-I185 HydrophobicContact CG2-CD1 4.26Å; T147-I185 HydrophobicContact CG2-CG1 4.35Å; R151-I185 WeakPolarHBondContact CD-O 3.26Å; R151-I185 PolarHBondContact NE-O 2.96Å; E183-I185 HydrophobicContact CG-CG2 4.08Å; I185-E190 HydrophobicContact CD1-CB 3.88Å; I185-E190 HydrophobicContact CD1-CG 4.16Å; I185-E190 HydrophobicContact CG1-CB 4.48Å; I185-Y193 HydrophobicContact CD1-CD2 4.32Å; I185-W526 HydrophobicContact CD1-CD2 4.4Å; I185-W526 HydrophobicContact CD1-CE3 4.07Å; I185-W526 HydrophobicContact CD1-CH2 3.79Å; I185-W526 HydrophobicContact CD1-CZ2 4.1Å; I185-W526 HydrophobicContact CD1-CZ3 3.77Å
186	S	97	Very high	95.4	Very high	53 Å²	53	33 Å²	33	37%	0.371	17%	0.174	S	C	.	.			trans	-69.2	151.9	172.4	73.2	0	0	0	0	110.1	K188 W189 E190	S186-K188 PolarHBondContact O-N 3.48Å; S186-K188 VanDerWaalsContact O-N 3.16Å; S186-W189 PolarHBondContact O-N 3.5Å; S186-W189 PolarHBondContact OG-N 3.27Å; S186-E190 PolarHBondContact O-N 2.91Å
187	G	96.4	Very high	95.6	Very high	3 Å²	3	30 Å²	30	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-24.8	175.5	0	0	0	0	0	112.8	G191 Q241	G187-G191 PolarHBondContact O-N 3Å; G187-Q241 WeakPolarHBondContact O-CG 3.45Å
188	K	96.2	Very high	95.8	Very high	49 Å²	49	28.3 Å²	28.3	21%	0.213	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-51.1	170.6	-174.9	172.1	179.4	171.4	0	111.4	S186 G191 I192 S258 Y260 V280	S186-K188 PolarHBondContact O-N 3.48Å; S186-K188 VanDerWaalsContact O-N 3.16Å; K188-G191 PolarHBondContact O-N 2.9Å; K188-I192 HydrophobicContact CG-CD1 4.05Å; K188-I192 WeakPolarHBondContact O-CD1 3.46Å; K188-I192 VanDerWaalsContact O-CG1 3.32Å; K188-I192 WeakPolarHBondContact O-CG1 3.35Å; K188-I192 PolarHBondContact O-N 3.28Å; K188-S258 PolarHBondContact NZ-O 3.42Å; K188-Y260 PolarHBondContact NZ-O 3.41Å; K188-V280 HydrophobicContact CD-CG1 4.14Å; K188-V280 HydrophobicContact CG-CG1 3.52Å; K188-V280 HydrophobicContact CG-CG2 4.21Å; K188-V280 WeakPolarHBondContact O-CG2 3.16Å
189	W	97.6	Very high	96.3	Very high	65 Å²	65	26.1 Å²	26.1	25%	0.246	13%	0.133	C	C	.	.	H	α-helix	trans	-69.4	-35.9	178.2	-83.5	113	0	0	0	112.9	S186 G191 I192 Y193 I263 Y533	S186-W189 PolarHBondContact O-N 3.5Å; S186-W189 PolarHBondContact OG-N 3.27Å; W189-G191 VanDerWaalsContact C-N 3.34Å; W189-G191 PolarHBondContact O-N 3.19Å; W189-I192 HydrophobicContact CD2-CD1 4.31Å; W189-I192 HydrophobicContact CE3-CB 4.16Å; W189-I192 HydrophobicContact CE3-CD1 4.04Å; W189-I192 HydrophobicContact CE3-CG2 4.04Å; W189-I192 HydrophobicContact CZ3-CD1 4.27Å; W189-I192 HydrophobicContact CZ3-CG2 3.93Å; W189-I192 PolarHBondContact O-N 2.76Å; W189-Y193 HydrophobicContact CB-CD2 4.47Å; W189-Y193 HydrophobicContact CB-CE2 4.04Å; W189-Y193 HydrophobicContact CE3-CD1 4.19Å; W189-Y193 AromaticContact CE3-CE1 3.52Å; W189-Y193 HydrophobicContact CE3-CE1 3.52Å; W189-Y193 HydrophobicContact CE3-CE2 4.43Å; W189-Y193 AromaticContact CE3-CZ 3.65Å; W189-Y193 AromaticContact CZ3-CE1 3.92Å; W189-Y193 HydrophobicContact CZ3-CE1 3.92Å; W189-Y193 WeakPolarHBondContact O-CB 3.37Å; W189-Y193 WeakPolarHBondContact O-CD2 3.45Å; W189-Y193 PolarHBondContact O-N 2.87Å; W189-I263 HydrophobicContact CH2-CG2 4.32Å; W189-I263 HydrophobicContact CZ3-CG2 4.44Å; W189-Y533 HydrophobicContact CH2-CD1 4.32Å; W189-Y533 AromaticContact CH2-CE1 3.48Å; W189-Y533 HydrophobicContact CH2-CE1 3.48Å; W189-Y533 VanDerWaalsContact CH2-CE1 3.48Å; W189-Y533 HydrophobicContact CH2-CE2 4.16Å; W189-Y533 AromaticContact CH2-CZ 3.4Å; W189-Y533 WeakPolarHBondContact CH2-OH 3.34Å; W189-Y533 HydrophobicContact CZ2-CE1 4.41Å; W189-Y533 AromaticContact CZ3-CD1 3.89Å; W189-Y533 HydrophobicContact CZ3-CD1 3.89Å; W189-Y533 HydrophobicContact CZ3-CD2 4.48Å; W189-Y533 AromaticContact CZ3-CE1 3.52Å; W189-Y533 HydrophobicContact CZ3-CE1 3.52Å; W189-Y533 HydrophobicContact CZ3-CE2 4.19Å; W189-Y533 HydrophobicContact CZ3-CG 4.35Å; W189-Y533 AromaticContact CZ3-CZ 3.7Å
190	E	97.7	Very high	96.9	Very high	7 Å²	7	20.9 Å²	20.9	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-56.2	-47.9	172.2	-166.4	175.9	148.8	0	0	111.2	T147 R151 I185 S186 Y193 A194 Q241 W526	T147-E190 WeakPolarHBondContact CB-OE2 3.49Å; T147-E190 HydrophobicContact CG2-CG 4.46Å; R151-E190 IonicContact CZ-OE2 2.86Å; R151-E190 IonicContact NH2-OE2 2.63Å; R151-E190 PolarHBondContact NH2-OE2 3.42Å; I185-E190 HydrophobicContact CD1-CB 3.88Å; I185-E190 HydrophobicContact CD1-CG 4.16Å; I185-E190 HydrophobicContact CG1-CB 4.48Å; S186-E190 PolarHBondContact O-N 2.91Å; E190-Y193 PolarHBondContact O-N 3.47Å; E190-A194 WeakPolarHBondContact O-CB 3.38Å; E190-A194 PolarHBondContact O-N 3.21Å; E190-Q241 PolarHBondContact OE1-NE2 2.93Å; E190-Q241 PolarHBondContact OE2-NE2 3.01Å; E190-W526 HydrophobicContact CG-CG 4.28Å
191	G	98	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.9	-39.3	175.9	0	0	0	0	0	114	G187 K188 W189 A194 W195	G187-G191 PolarHBondContact O-N 3Å; K188-G191 PolarHBondContact O-N 2.9Å; W189-G191 VanDerWaalsContact C-N 3.34Å; W189-G191 PolarHBondContact O-N 3.19Å; G191-A194 WeakPolarHBondContact O-CB 3.29Å; G191-A194 PolarHBondContact O-N 2.88Å; G191-W195 WeakPolarHBondContact O-CB 3.33Å; G191-W195 PolarHBondContact O-N 3.23Å
192	I	98.4	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-45.9	175.4	-69.6	160.3	0	0	0	110.8	K188 W189 A194 W195 I196 Q261 I263 V280	K188-I192 HydrophobicContact CG-CD1 4.05Å; K188-I192 WeakPolarHBondContact O-CD1 3.46Å; K188-I192 VanDerWaalsContact O-CG1 3.32Å; K188-I192 WeakPolarHBondContact O-CG1 3.35Å; K188-I192 PolarHBondContact O-N 3.28Å; W189-I192 HydrophobicContact CD2-CD1 4.31Å; W189-I192 HydrophobicContact CE3-CB 4.16Å; W189-I192 HydrophobicContact CE3-CD1 4.04Å; W189-I192 HydrophobicContact CE3-CG2 4.04Å; W189-I192 HydrophobicContact CZ3-CD1 4.27Å; W189-I192 HydrophobicContact CZ3-CG2 3.93Å; W189-I192 PolarHBondContact O-N 2.76Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 3.16Å; I192-W195 WeakPolarHBondContact O-CB 3.45Å; I192-W195 PolarHBondContact O-N 3.28Å; I192-W195 VanDerWaalsContact O-N 3.15Å; I192-I196 HydrophobicContact CG2-CD1 3.88Å; I192-I196 HydrophobicContact CG2-CG1 4.39Å; I192-I196 VanDerWaalsContact O-CG1 3.3Å; I192-I196 WeakPolarHBondContact O-CG1 3.48Å; I192-I196 PolarHBondContact O-N 3.17Å; I192-Q261 HydrophobicContact CD1-CB 3.65Å; I192-Q261 HydrophobicContact CD1-CG 3.66Å; I192-I263 HydrophobicContact CG2-CD1 4.05Å; I192-I263 HydrophobicContact CG2-CG2 4.19Å; I192-V280 HydrophobicContact CD1-CG1 4.07Å; I192-V280 HydrophobicContact CG1-CB 4.32Å; I192-V280 HydrophobicContact CG1-CG1 4Å; I192-V280 HydrophobicContact CG1-CG2 4.41Å
193	Y	98.4	Very high	96.9	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-63.4	-41.5	178.5	-65.7	-31.2	0	0	0	111.6	I185 W189 E190 W195 I196 S197 W526 G529 A530 Y533 R534	I185-Y193 HydrophobicContact CD1-CD2 4.32Å; W189-Y193 HydrophobicContact CB-CD2 4.47Å; W189-Y193 HydrophobicContact CB-CE2 4.04Å; W189-Y193 HydrophobicContact CE3-CD1 4.19Å; W189-Y193 AromaticContact CE3-CE1 3.52Å; W189-Y193 HydrophobicContact CE3-CE1 3.52Å; W189-Y193 HydrophobicContact CE3-CE2 4.43Å; W189-Y193 AromaticContact CE3-CZ 3.65Å; W189-Y193 AromaticContact CZ3-CE1 3.92Å; W189-Y193 HydrophobicContact CZ3-CE1 3.92Å; W189-Y193 WeakPolarHBondContact O-CB 3.37Å; W189-Y193 WeakPolarHBondContact O-CD2 3.45Å; W189-Y193 PolarHBondContact O-N 2.87Å; E190-Y193 PolarHBondContact O-N 3.47Å; Y193-W195 VanDerWaalsContact C-N 3.34Å; Y193-W195 PolarHBondContact O-N 2.9Å; Y193-I196 HydrophobicContact CD1-CD1 4.38Å; Y193-I196 PolarHBondContact O-N 2.93Å; Y193-S197 PolarHBondContact O-N 3.08Å; Y193-S197 PolarHBondContact O-OG 2.97Å; Y193-S197 VanDerWaalsContact O-OG 3.12Å; Y193-W526 WeakPolarHBondContact CB-O 3.36Å; Y193-W526 AromaticContact CD2-CE3 3.95Å; Y193-W526 HydrophobicContact CD2-CE3 3.95Å; Y193-W526 HydrophobicContact CD2-CZ3 4.31Å; Y193-G529 WeakPolarHBondContact O-CA 3.27Å; Y193-A530 HydrophobicContact CD1-CB 4.11Å; Y193-A530 HydrophobicContact CD2-CB 3.67Å; Y193-A530 HydrophobicContact CE1-CB 4.36Å; Y193-A530 HydrophobicContact CE2-CB 3.93Å; Y193-A530 HydrophobicContact CG-CB 3.78Å; Y193-Y533 AromaticContact CE1-CD1 3.73Å; Y193-Y533 HydrophobicContact CE1-CD1 3.73Å; Y193-Y533 HydrophobicContact CE1-CG 4Å; Y193-R534 PolarHBondContact OH-NE 3.39Å; Y193-R534 PolarHBondContact OH-NH2 3.27Å
194	A	98.1	Very high	96.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-52.8	-48.8	168.9	0	0	0	0	0	112.4	E190 G191 I192 I196 S197 V198 I232 M432 W526	E190-A194 WeakPolarHBondContact O-CB 3.38Å; E190-A194 PolarHBondContact O-N 3.21Å; G191-A194 WeakPolarHBondContact O-CB 3.29Å; G191-A194 PolarHBondContact O-N 2.88Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 3.16Å; A194-I196 PolarHBondContact O-N 3.03Å; A194-S197 WeakPolarHBondContact O-CB 3.29Å; A194-S197 PolarHBondContact O-N 3.39Å; A194-V198 PolarHBondContact O-N 3.17Å; A194-V198 VanDerWaalsContact O-N 3.16Å; A194-I232 HydrophobicContact CB-CD1 3.76Å; A194-I232 HydrophobicContact CB-CG1 4.14Å; A194-M432 HydrophobicContact CB-CE 3.48Å; A194-M432 VanDerWaalsContact CB-CE 3.48Å; A194-W526 HydrophobicContact CB-CB 4.01Å
195	W	98.2	Very high	96.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-39.8	179.3	179	87.3	0	0	0	112.4	G191 I192 Y193 N199 F205 T229 A230 I232 A243 E245 I263 F276 V278	G191-W195 WeakPolarHBondContact O-CB 3.33Å; G191-W195 PolarHBondContact O-N 3.23Å; I192-W195 WeakPolarHBondContact O-CB 3.45Å; I192-W195 PolarHBondContact O-N 3.28Å; I192-W195 VanDerWaalsContact O-N 3.15Å; Y193-W195 VanDerWaalsContact C-N 3.34Å; Y193-W195 PolarHBondContact O-N 2.9Å; W195-N199 VanDerWaalsContact CE2-ND2 3.32Å; W195-N199 PolarHBondContact NE1-ND2 3.45Å; W195-N199 VanDerWaalsContact NE1-ND2 3.17Å; W195-N199 WeakPolarHBondContact O-CB 3.44Å; W195-N199 PolarHBondContact O-N 3.28Å; W195-N199 VanDerWaalsContact O-N 3.16Å; W195-N199 PolarHBondContact O-ND2 2Å; W195-F205 HydrophobicContact CE3-CZ 4.26Å; W195-F205 AromaticContact CH2-CE1 3.56Å; W195-F205 HydrophobicContact CH2-CE1 3.56Å; W195-F205 HydrophobicContact CH2-CZ 4.03Å; W195-F205 HydrophobicContact CZ2-CE1 4.38Å; W195-F205 AromaticContact CZ3-CE1 3.68Å; W195-F205 HydrophobicContact CZ3-CE1 3.68Å; W195-F205 AromaticContact CZ3-CZ 3.67Å; W195-F205 HydrophobicContact CZ3-CZ 3.67Å; W195-T229 HydrophobicContact CH2-CG2 4.05Å; W195-T229 HydrophobicContact CZ2-CG2 3.63Å; W195-T229 WeakPolarHBondContact CZ2-OG1 3.19Å; W195-A230 VanDerWaalsContact CD1-O 3.26Å; W195-A230 PolarHBondContact NE1-O 3.47Å; W195-I232 HydrophobicContact CB-CG1 3.85Å; W195-A243 HydrophobicContact CB-CB 3.94Å; W195-A243 HydrophobicContact CG-CB 4.41Å; W195-E245 HydrophobicContact CZ2-CB 3.95Å; W195-I263 HydrophobicContact CE3-CD1 4.24Å; W195-I263 HydrophobicContact CZ3-CD1 3.86Å; W195-F276 HydrophobicContact CH2-CB 4.07Å; W195-F276 AromaticContact CH2-CD1 3.64Å; W195-F276 HydrophobicContact CH2-CD1 3.64Å; W195-F276 HydrophobicContact CH2-CD2 4.45Å; W195-F276 HydrophobicContact CH2-CE1 4.15Å; W195-F276 AromaticContact CH2-CG 3.81Å; W195-F276 HydrophobicContact CH2-CG 3.81Å; W195-F276 HydrophobicContact CZ2-CD1 4.41Å; W195-F276 HydrophobicContact CZ3-CG 4.38Å; W195-V278 HydrophobicContact CD2-CG1 4.45Å; W195-V278 HydrophobicContact CD2-CG2 4.16Å; W195-V278 HydrophobicContact CE3-CG2 3.97Å; W195-V278 HydrophobicContact CG-CG1 4.46Å; W195-V278 HydrophobicContact CH2-CG2 4.09Å; W195-V278 HydrophobicContact CZ2-CG2 4.27Å; W195-V278 HydrophobicContact CZ3-CG2 3.96Å
196	I	98	Very high	95.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-47.4	174.5	-64.9	168.1	0	0	0	110.2	I192 Y193 A194 V198 N199 Y200 F205 I263 L265 L532 Y533	I192-I196 HydrophobicContact CG2-CD1 3.88Å; I192-I196 HydrophobicContact CG2-CG1 4.39Å; I192-I196 VanDerWaalsContact O-CG1 3.3Å; I192-I196 WeakPolarHBondContact O-CG1 3.48Å; I192-I196 PolarHBondContact O-N 3.17Å; Y193-I196 HydrophobicContact CD1-CD1 4.38Å; Y193-I196 PolarHBondContact O-N 2.93Å; A194-I196 PolarHBondContact O-N 3.03Å; I196-V198 PolarHBondContact O-N 3.06Å; I196-N199 PolarHBondContact O-N 3.32Å; I196-Y200 WeakPolarHBondContact O-CB 3.27Å; I196-Y200 PolarHBondContact O-N 3.15Å; I196-F205 HydrophobicContact CG2-CE2 4.06Å; I196-F205 HydrophobicContact CG2-CZ 4.46Å; I196-F205 WeakPolarHBondContact O-CE2 3.48Å; I196-I263 HydrophobicContact CD1-CD1 4.05Å; I196-I263 HydrophobicContact CG1-CD1 4.13Å; I196-L265 HydrophobicContact CD1-CD2 3.7Å; I196-L265 HydrophobicContact CG1-CD2 4.09Å; I196-L265 HydrophobicContact CG2-CD1 4.41Å; I196-L265 HydrophobicContact CG2-CD2 4.37Å; I196-L532 HydrophobicContact CG2-CB 4.2Å; I196-L532 HydrophobicContact CG2-CD1 4.24Å; I196-L532 HydrophobicContact CG2-CD2 3.9Å; I196-L532 HydrophobicContact CG2-CG 4.34Å; I196-Y533 HydrophobicContact CD1-CD2 4.21Å; I196-Y533 HydrophobicContact CD1-CG 4.36Å
197	S	97.3	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.3	-50.8	-179.6	-66.2	0	0	0	0	112.4	Y193 A194 A201 Q525 G529	Y193-S197 PolarHBondContact O-N 3.08Å; Y193-S197 PolarHBondContact O-OG 2.97Å; Y193-S197 VanDerWaalsContact O-OG 3.12Å; A194-S197 WeakPolarHBondContact O-CB 3.29Å; A194-S197 PolarHBondContact O-N 3.39Å; S197-A201 WeakPolarHBondContact O-CB 3.19Å; S197-A201 PolarHBondContact O-N 2.9Å; S197-Q525 VanDerWaalsContact CB-O 3.26Å; S197-Q525 WeakPolarHBondContact CB-O 3.45Å; S197-Q525 PolarHBondContact OG-O 3.43Å; S197-G529 PolarHBondContact OG-N 2.56Å
198	V	97.5	Very high	92	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-48.8	-178.1	169	0	0	0	0	110.9	A194 I196 Y200 A201 L202 A230 I232 Y430 M432 M519 I524	A194-V198 PolarHBondContact O-N 3.17Å; A194-V198 VanDerWaalsContact O-N 3.16Å; I196-V198 PolarHBondContact O-N 3.06Å; V198-Y200 VanDerWaalsContact C-N 3.32Å; V198-Y200 PolarHBondContact O-N 3.48Å; V198-A201 PolarHBondContact O-N 2.99Å; V198-L202 HydrophobicContact CG1-CD1 3.7Å; V198-L202 WeakPolarHBondContact O-CB 3.47Å; V198-L202 VanDerWaalsContact O-CG 3.27Å; V198-L202 WeakPolarHBondContact O-CG 3.34Å; V198-L202 PolarHBondContact O-N 3.41Å; V198-A230 HydrophobicContact CG1-CB 4.33Å; V198-I232 HydrophobicContact CB-CG2 3.64Å; V198-I232 HydrophobicContact CG1-CG2 3.97Å; V198-I232 HydrophobicContact CG2-CG2 3.56Å; V198-Y430 HydrophobicContact CG1-CD2 3.64Å; V198-Y430 HydrophobicContact CG1-CE2 4.31Å; V198-Y430 HydrophobicContact CG1-CG 3.83Å; V198-M432 HydrophobicContact CG2-SD 3.8Å; V198-M519 HydrophobicContact CG1-CE 4.33Å; V198-I524 HydrophobicContact CG2-CG2 3.67Å
199	N	96.7	Very high	89.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-31	-177.3	-79.2	-72.9	0	0	0	113.1	W195 I196 G203 R204 F205 T229 A230	W195-N199 VanDerWaalsContact CE2-ND2 3.32Å; W195-N199 PolarHBondContact NE1-ND2 3.45Å; W195-N199 VanDerWaalsContact NE1-ND2 3.17Å; W195-N199 WeakPolarHBondContact O-CB 3.44Å; W195-N199 PolarHBondContact O-N 3.28Å; W195-N199 VanDerWaalsContact O-N 3.16Å; W195-N199 PolarHBondContact O-ND2 2Å; I196-N199 PolarHBondContact O-N 3.32Å; N199-G203 PolarHBondContact O-N 3.47Å; N199-R204 HydrophobicContact CB-CB 4.34Å; N199-R204 PolarHBondContact O-N 3.21Å; N199-R204 WeakPolarHBondContact OD1-CD 3.14Å; N199-F205 HydrophobicContact CB-CD1 4.33Å; N199-F205 HydrophobicContact CB-CE1 3.6Å; N199-F205 HydrophobicContact CB-CE2 3.84Å; N199-F205 HydrophobicContact CB-CZ 3.33Å; N199-T229 WeakPolarHBondContact OD1-CA 3.38Å; N199-T229 WeakPolarHBondContact OD1-CB 3.13Å; N199-A230 PolarHBondContact ND2-O 3.02Å; N199-A230 VanDerWaalsContact ND2-O 3.08Å; N199-A230 PolarHBondContact OD1-N 2.69Å
200	Y	95.4	Very high	87.4	Confident	42 Å²	42	32.1 Å²	32.1	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-49.5	170.6	178.5	-98	0	0	0	111.3	I85 V88 I196 V198 L202 G203 F205 L528 L532	I85-Y200 HydrophobicContact CD1-CD2 3.81Å; I85-Y200 HydrophobicContact CD1-CE2 4.06Å; V88-Y200 PolarHBondContact N-OH 3.01Å; V88-Y200 VanDerWaalsContact O-CE1 3.29Å; V88-Y200 WeakPolarHBondContact O-CE1 3.49Å; V88-Y200 PolarHBondContact O-OH 3.25Å; I196-Y200 WeakPolarHBondContact O-CB 3.27Å; I196-Y200 PolarHBondContact O-N 3.15Å; V198-Y200 VanDerWaalsContact C-N 3.32Å; V198-Y200 PolarHBondContact O-N 3.48Å; Y200-L202 PolarHBondContact O-N 3.01Å; Y200-G203 PolarHBondContact O-N 3.42Å; Y200-F205 HydrophobicContact CD2-CD2 4.48Å; Y200-L528 HydrophobicContact CD1-CD1 4.39Å; Y200-L528 HydrophobicContact CD1-CD2 3.91Å; Y200-L528 HydrophobicContact CD1-CG 4.3Å; Y200-L528 HydrophobicContact CE1-CD1 4.38Å; Y200-L528 HydrophobicContact CE1-CD2 4.45Å; Y200-L532 HydrophobicContact CD1-CD1 4.36Å; Y200-L532 HydrophobicContact CD2-CD1 3.14Å; Y200-L532 HydrophobicContact CE2-CD1 3.61Å; Y200-L532 HydrophobicContact CG-CD1 3.57Å
201	A	94.9	Very high	84.8	Confident	7 Å²	7	35.4 Å²	35.4	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-25.3	178.6	0	0	0	0	0	113.5	S197 V198 S520 I524	S197-A201 WeakPolarHBondContact O-CB 3.19Å; S197-A201 PolarHBondContact O-N 2.9Å; V198-A201 PolarHBondContact O-N 2.99Å; A201-S520 VanDerWaalsContact O-CB 3.27Å; A201-S520 WeakPolarHBondContact O-CB 3.43Å; A201-S520 PolarHBondContact O-OG 3.16Å; A201-I524 HydrophobicContact CB-CD1 3.43Å; A201-I524 VanDerWaalsContact CB-CD1 3.43Å
202	L	93.9	Very high	82	Confident	50 Å²	50	42.1 Å²	42.1	26%	0.262	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.1	173.6	-69	168	0	0	0	113.9	V198 Y200 R204 A230 Y430 M519	V198-L202 HydrophobicContact CG1-CD1 3.7Å; V198-L202 WeakPolarHBondContact O-CB 3.47Å; V198-L202 VanDerWaalsContact O-CG 3.27Å; V198-L202 WeakPolarHBondContact O-CG 3.34Å; V198-L202 PolarHBondContact O-N 3.41Å; Y200-L202 PolarHBondContact O-N 3.01Å; L202-R204 HydrophobicContact CB-CB 4.49Å; L202-R204 HydrophobicContact CB-CG 3.71Å; L202-R204 PolarHBondContact O-N 2.82Å; L202-A230 HydrophobicContact CD1-CB 3.97Å; L202-Y430 HydrophobicContact CD1-CD2 4.14Å; L202-Y430 HydrophobicContact CD1-CE2 3.47Å; L202-Y430 VanDerWaalsContact CD1-CE2 3.47Å; L202-M519 HydrophobicContact CD1-CE 3.9Å; L202-M519 HydrophobicContact CD2-CE 3.3Å; L202-M519 HydrophobicContact CG-CE 3.38Å
203	G	92.2	Very high	79.1	Confident	24 Å²	24	48.1 Å²	48.1	25%	0.247	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	17.4	-174	0	0	0	0	0	114.1	N199 Y200 F205 E206	N199-G203 PolarHBondContact O-N 3.47Å; Y200-G203 PolarHBondContact O-N 3.42Å; G203-F205 PolarHBondContact O-N 3.46Å; G203-E206 WeakPolarHBondContact O-CB 3.35Å; G203-E206 PolarHBondContact O-N 3.05Å; G203-E206 VanDerWaalsContact O-N 3.14Å
204	R	92.8	Very high	76	Confident	33 Å²	33	51 Å²	51	13%	0.125	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.6	-173.7	-69.5	177.6	178.2	-150	12	114	N199 L202 I227 R228 T229 D428	N199-R204 HydrophobicContact CB-CB 4.34Å; N199-R204 PolarHBondContact O-N 3.21Å; N199-R204 WeakPolarHBondContact OD1-CD 3.14Å; L202-R204 HydrophobicContact CB-CB 4.49Å; L202-R204 HydrophobicContact CB-CG 3.71Å; L202-R204 PolarHBondContact O-N 2.82Å; R204-I227 HydrophobicContact CB-CG2 4.29Å; R204-I227 HydrophobicContact CG-CG2 3.9Å; R204-R228 VanDerWaalsContact CD-O 3.3Å; R204-R228 WeakPolarHBondContact CD-O 3.49Å; R204-R228 PolarHBondContact NH1-O 3.22Å; R204-R228 VanDerWaalsContact NH1-O 3.15Å; R204-T229 HydrophobicContact CB-CG2 4.48Å; R204-D428 IonicContact CZ-OD2 3.61Å; R204-D428 IonicContact NH1-OD2 3.85Å; R204-D428 IonicContact NH2-OD2 2.97Å; R204-D428 PolarHBondContact NH2-OD2 3.44Å
205	F	91.3	Very high	73.2	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.026	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.9	170.1	-59.4	-39.9	0	0	0	113.5	I85 W195 I196 N199 Y200 G203 T229 L265 F276	I85-F205 HydrophobicContact CD1-CB 3.66Å; I85-F205 HydrophobicContact CD1-CD2 3.88Å; I85-F205 HydrophobicContact CD1-CG 4.21Å; W195-F205 HydrophobicContact CE3-CZ 4.26Å; W195-F205 AromaticContact CH2-CE1 3.56Å; W195-F205 HydrophobicContact CH2-CE1 3.56Å; W195-F205 HydrophobicContact CH2-CZ 4.03Å; W195-F205 HydrophobicContact CZ2-CE1 4.38Å; W195-F205 AromaticContact CZ3-CE1 3.68Å; W195-F205 HydrophobicContact CZ3-CE1 3.68Å; W195-F205 AromaticContact CZ3-CZ 3.67Å; W195-F205 HydrophobicContact CZ3-CZ 3.67Å; I196-F205 HydrophobicContact CG2-CE2 4.06Å; I196-F205 HydrophobicContact CG2-CZ 4.46Å; I196-F205 WeakPolarHBondContact O-CE2 3.48Å; N199-F205 HydrophobicContact CB-CD1 4.33Å; N199-F205 HydrophobicContact CB-CE1 3.6Å; N199-F205 HydrophobicContact CB-CE2 3.84Å; N199-F205 HydrophobicContact CB-CZ 3.33Å; Y200-F205 HydrophobicContact CD2-CD2 4.48Å; G203-F205 PolarHBondContact O-N 3.46Å; F205-T229 HydrophobicContact CE1-CG2 4.23Å; F205-L265 HydrophobicContact CD1-CD1 4.04Å; F205-L265 HydrophobicContact CD2-CD1 3.77Å; F205-L265 HydrophobicContact CE1-CD1 3.78Å; F205-L265 HydrophobicContact CE2-CD1 3.48Å; F205-L265 VanDerWaalsContact CE2-CD1 3.48Å; F205-L265 HydrophobicContact CG-CD1 4.03Å; F205-L265 HydrophobicContact CZ-CD1 3.48Å; F205-L265 VanDerWaalsContact CZ-CD1 3.48Å; F205-F276 AromaticContact CD1-CE1 3.91Å; F205-F276 HydrophobicContact CD1-CE1 3.91Å; F205-F276 HydrophobicContact CD1-CE2 4.04Å; F205-F276 AromaticContact CD1-CZ 3.42Å; F205-F276 HydrophobicContact CD1-CZ 3.42Å; F205-F276 VanDerWaalsContact CD1-CZ 3.42Å; F205-F276 HydrophobicContact CE1-CE1 4.03Å; F205-F276 HydrophobicContact CE1-CE2 4.21Å; F205-F276 AromaticContact CE1-CZ 3.81Å; F205-F276 HydrophobicContact CE1-CZ 3.81Å; F205-F276 HydrophobicContact CG-CZ 4.41Å
206	E	78.9	Confident	70.2	Confident	130 Å²	130	61.7 Å²	61.7	61%	0.607	34%	0.342	S	S	*	.	S	Bend	trans	-79.3	161.1	177	-58.7	-171.1	167.3	0	0	111.9	G203	G203-E206 WeakPolarHBondContact O-CB 3.35Å; G203-E206 PolarHBondContact O-N 3.05Å; G203-E206 VanDerWaalsContact O-N 3.14Å
207	R	67.4	Low	67.5	Low	100 Å²	100	67.3 Å²	67.3	38%	0.377	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-79.6	133.7	171.5	-113	-178.3	145.3	85.6	3	108.9	P209	R207-P209 VanDerWaalsContact O-CD 3.3Å; R207-P209 WeakPolarHBondContact O-CD 3.3Å
208	S	54.1	Low	64.4	Low	26 Å²	26	73.7 Å²	73.7	18%	0.182	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-56.2	121.4	172.9	178.2	0	0	0	0	110.8	L210 L211	S208-L210 VanDerWaalsContact C-N 3.28Å; S208-L210 PolarHBondContact O-N 3.4Å; S208-L211 PolarHBondContact O-N 3.22Å
209	P	49	Very low	61.7	Low	99 Å²	99	78.7 Å²	78.7	64%	0.643	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-62.8	-35.3	175.8	-20.8	31.7	0	0	0	112.2	R207 L211 Q212	R207-P209 VanDerWaalsContact O-CD 3.3Å; R207-P209 WeakPolarHBondContact O-CD 3.3Å; P209-L211 PolarHBondContact O-N 2.89Å; P209-L211 VanDerWaalsContact O-N 3.14Å; P209-Q212 PolarHBondContact O-N 3.12Å; P209-Q212 VanDerWaalsContact O-N 3.15Å
210	L	46.9	Very low	58.8	Low	146 Å²	146	86.7 Å²	86.7	76%	0.764	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-70.2	-7.8	-174.9	-65.7	171.8	0	0	0	114.2	S208	S208-L210 VanDerWaalsContact C-N 3.28Å; S208-L210 PolarHBondContact O-N 3.4Å
211	L	43.1	Very low	56.4	Low	75 Å²	75	86.4 Å²	86.4	39%	0.393	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-109.1	17.4	175.9	-75.9	158.8	0	0	0	112.6	S208 P209 R225	S208-L211 PolarHBondContact O-N 3.22Å; P209-L211 PolarHBondContact O-N 2.89Å; P209-L211 VanDerWaalsContact O-N 3.14Å; L211-R225 PolarHBondContact O-NH2 3.12Å
212	Q	39.1	Very low	54	Low	142 Å²	142	91.5 Å²	91.5	66%	0.664	51%	0.512	S	S	*	.	S	Bend	trans	-83.8	-19.9	163.8	-77.2	-175.3	26.1	0	0	112.6	P209	P209-Q212 PolarHBondContact O-N 3.12Å; P209-Q212 VanDerWaalsContact O-N 3.15Å
213	T	38.9	Very low	51.9	Low	125 Å²	125	93.6 Å²	93.6	77%	0.767	54%	0.536	S	S	*	.	S	Bend	trans	-93	-6.5	-176	54.2	0	0	0	0	114.4	V215	T213-V215 PolarHBondContact O-N 2.99Å
214	S	33.4	Very low	49.8	Very low	67 Å²	67	97.1 Å²	97.1	47%	0.469	56%	0.557	S	S	.	*			trans	-93.3	98.6	172.4	21.4	0	0	0	0	110	S216	S214-S216 VanDerWaalsContact C-N 3.29Å; S214-S216 PolarHBondContact O-N 3.37Å
215	V	37.4	Very low	48.4	Very low	139 Å²	139	99.6 Å²	99.6	84%	0.842	57%	0.566	S	S	*	*			trans	-64.1	89.4	164.5	-179.1	0	0	0	0	107.6	T213 T217	T213-V215 PolarHBondContact O-N 2.99Å; V215-T217 HydrophobicContact CG1-CG2 4.49Å
216	S	37	Very low	47.8	Very low	84 Å²	84	103.1 Å²	103.1	59%	0.587	58%	0.579	S	S	*	*			trans	-108.2	121.8	162.8	82.1	0	0	0	0	109.3	S214 Q218	S214-S216 VanDerWaalsContact C-N 3.29Å; S214-S216 PolarHBondContact O-N 3.37Å; S216-Q218 PolarHBondContact O-N 3.49Å
217	T	41.3	Very low	48.2	Very low	119 Å²	119	99.8 Å²	99.8	73%	0.73	57%	0.565	S	S	*	*			trans	-80.9	39.3	-169.8	43	0	0	0	0	113.2	V215	V215-T217 HydrophobicContact CG1-CG2 4.49Å
218	Q	30.7	Very low	49.2	Very low	134 Å²	134	100.9 Å²	100.9	63%	0.626	57%	0.569	S	S	*	*			trans	-120.5	104	179.7	-69.1	-62.1	-27.5	0	0	112	S216 N220 S221	S216-Q218 PolarHBondContact O-N 3.49Å; Q218-N220 VanDerWaalsContact C-N 3.26Å; Q218-N220 PolarHBondContact O-N 2.93Å; Q218-S221 PolarHBondContact O-N 3.12Å; Q218-S221 PolarHBondContact O-OG 3.26Å
219	P	42	Very low	51.2	Low	105 Å²	105	99.9 Å²	99.9	68%	0.682	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-63.7	-24.3	-175.6	-19.8	30.6	0	0	0	114.6	S221	P219-S221 VanDerWaalsContact C-N 3.27Å; P219-S221 PolarHBondContact O-N 3.28Å
220	N	34.2	Very low	53.4	Low	167 Å²	167	95.2 Å²	95.2	89%	0.893	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-85.4	8.9	-174.4	-72.6	-7.7	0	0	0	114.3	Q218	Q218-N220 VanDerWaalsContact C-N 3.26Å; Q218-N220 PolarHBondContact O-N 2.93Å
221	S	45.4	Very low	55.8	Low	37 Å²	37	88.2 Å²	88.2	26%	0.259	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-97.4	16.7	-178.8	69.1	0	0	0	0	114.6	Q218 P219 A223 S224	Q218-S221 PolarHBondContact O-N 3.12Å; Q218-S221 PolarHBondContact O-OG 3.26Å; P219-S221 VanDerWaalsContact C-N 3.27Å; P219-S221 PolarHBondContact O-N 3.28Å; S221-A223 PolarHBondContact O-N 2.88Å; S221-S224 WeakPolarHBondContact O-CA 3.43Å; S221-S224 VanDerWaalsContact O-CB 3.25Å; S221-S224 WeakPolarHBondContact O-CB 3.34Å; S221-S224 PolarHBondContact O-N 3.47Å
222	L	45.6	Very low	58.4	Low	114 Å²	114	84.7 Å²	84.7	60%	0.597	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-53.2	-30.9	-178.1	-106.9	148.9	0	0	0	114.1
223	A	48.3	Very low	61.2	Low	94 Å²	94	77.9 Å²	77.9	78%	0.777	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-79.2	-20.2	174.3	0	0	0	0	0	114.2	S221 R225	S221-A223 PolarHBondContact O-N 2.88Å; A223-R225 VanDerWaalsContact C-N 3.26Å; A223-R225 PolarHBondContact O-N 3.34Å
224	S	48.5	Very low	64	Low	98 Å²	98	72.1 Å²	72.1	69%	0.685	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-78.7	0.7	-176.2	-170.3	0	0	0	0	114.5	S221	S221-S224 WeakPolarHBondContact O-CA 3.43Å; S221-S224 VanDerWaalsContact O-CB 3.25Å; S221-S224 WeakPolarHBondContact O-CB 3.34Å; S221-S224 PolarHBondContact O-N 3.47Å
225	R	64.3	Low	67	Low	84 Å²	84	69 Å²	69	32%	0.317	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-113.5	7.7	-173.1	-78.3	177.3	63	-178.6	4.8	114.6	L211 A223	L211-R225 PolarHBondContact O-NH2 3.12Å; A223-R225 VanDerWaalsContact C-N 3.26Å; A223-R225 PolarHBondContact O-N 3.34Å
226	R	78.4	Confident	69.8	Low	80 Å²	80	63.1 Å²	63.1	30%	0.302	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-89.5	140.4	180	-170	-176.1	-83.6	169.4	-3.9	110.6	E245 L273 K275 F276	R226-E245 IonicContact NH1-OE1 3.96Å; R226-L273 PolarHBondContact NH2-O 3.16Å; R226-K275 PolarHBondContact NH1-O 2.83Å; R226-K275 PolarHBondContact NH2-O 2.85Å; R226-K275 VanDerWaalsContact NH2-O 3.08Å; R226-F276 VanDerWaalsContact CZ-CE1 3.41Å
227	I	86.6	Confident	72.6	Confident	60 Å²	60	59.8 Å²	59.8	31%	0.308	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-65.8	134.6	171.6	-57.5	172.8	0	0	0	108.2	R204 T229	R204-I227 HydrophobicContact CB-CG2 4.29Å; R204-I227 HydrophobicContact CG-CG2 3.9Å; I227-T229 PolarHBondContact O-N 3.47Å
228	R	89.8	Confident	75.2	Confident	123 Å²	123	54.2 Å²	54.2	46%	0.464	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-63.6	127.3	177.8	-171.6	-176.5	-168.9	154.1	-3.4	110.2	R204 S426 T427	R204-R228 VanDerWaalsContact CD-O 3.3Å; R204-R228 WeakPolarHBondContact CD-O 3.49Å; R204-R228 PolarHBondContact NH1-O 3.22Å; R204-R228 VanDerWaalsContact NH1-O 3.15Å; R228-S426 VanDerWaalsContact CZ-O 3.26Å; R228-S426 PolarHBondContact NE-O 3.2Å; R228-S426 VanDerWaalsContact NH1-CB 3.26Å; R228-S426 PolarHBondContact NH1-O 3.35Å; R228-S426 VanDerWaalsContact NH1-O 3.09Å; R228-S426 PolarHBondContact NH1-OG 3.28Å; R228-S426 PolarHBondContact NH2-OG 3.39Å; R228-T427 PolarHBondContact NH2-OG1 3.15Å
229	T	94.8	Very high	78.4	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.031	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.7	154.7	175.8	58.5	0	0	0	0	111.4	W195 N199 R204 F205 I227 E245 F276	W195-T229 HydrophobicContact CH2-CG2 4.05Å; W195-T229 HydrophobicContact CZ2-CG2 3.63Å; W195-T229 WeakPolarHBondContact CZ2-OG1 3.19Å; N199-T229 WeakPolarHBondContact OD1-CA 3.38Å; N199-T229 WeakPolarHBondContact OD1-CB 3.13Å; R204-T229 HydrophobicContact CB-CG2 4.48Å; F205-T229 HydrophobicContact CE1-CG2 4.23Å; I227-T229 PolarHBondContact O-N 3.47Å; T229-E245 WeakPolarHBondContact CB-OE2 3.45Å; T229-E245 WeakPolarHBondContact CG2-OE2 3.45Å; T229-E245 WeakPolarHBondContact OG1-CB 3.39Å; T229-E245 PolarHBondContact OG1-OE2 3.08Å; T229-F276 HydrophobicContact CG2-CE1 4.1Å
230	A	96.1	Very high	81	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-84.1	155.6	171.8	0	0	0	0	0	110.5	W195 V198 N199 L202 D428 Y430	W195-A230 VanDerWaalsContact CD1-O 3.26Å; W195-A230 PolarHBondContact NE1-O 3.47Å; V198-A230 HydrophobicContact CG1-CB 4.33Å; N199-A230 PolarHBondContact ND2-O 3.02Å; N199-A230 VanDerWaalsContact ND2-O 3.08Å; N199-A230 PolarHBondContact OD1-N 2.69Å; L202-A230 HydrophobicContact CD1-CB 3.97Å; A230-D428 CarbonylContact C-O 3.57Å; A230-D428 WeakPolarHBondContact CA-O 3.32Å; A230-D428 HydrophobicContact CB-CB 4.35Å; A230-D428 WeakPolarHBondContact CB-O 3.38Å; A230-Y430 HydrophobicContact CB-CD2 3.63Å; A230-Y430 HydrophobicContact CB-CE2 3.64Å
231	G	97	Very high	84	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	161.9	161.6	0	0	0	0	0	111.4	A243 D428 F429 Y430	G231-A243 CarbonylContact C-O 3.59Å; G231-A243 WeakPolarHBondContact CA-O 3.4Å; G231-D428 PolarHBondContact N-O 3.43Å; G231-F429 WeakPolarHBondContact O-CA 2.86Å; G231-Y430 PolarHBondContact O-N 2.93Å
232	I	97.6	Very high	86.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.8	175.5	65.3	81	0	0	0	111	A194 W195 V198 A243 Y430	A194-I232 HydrophobicContact CB-CD1 3.76Å; A194-I232 HydrophobicContact CB-CG1 4.14Å; W195-I232 HydrophobicContact CB-CG1 3.85Å; V198-I232 HydrophobicContact CB-CG2 3.64Å; V198-I232 HydrophobicContact CG1-CG2 3.97Å; V198-I232 HydrophobicContact CG2-CG2 3.56Å; I232-A243 HydrophobicContact CD1-CB 3.91Å; I232-A243 HydrophobicContact CG1-CB 3.98Å; I232-A243 PolarHBondContact N-O 3.13Å; I232-A243 PolarHBondContact O-N 3.1Å; I232-Y430 CarbonylContact C-O 3.56Å; I232-Y430 WeakPolarHBondContact CA-O 3.03Å
233	L	97.8	Very high	88.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.9	162.9	-59.6	-179	0	0	0	108.2	Q241 V242 Y430 G431 M432 Y435 L500 L504 F506 F513	L233-Q241 CarbonylContact C-O 3.58Å; L233-Q241 WeakPolarHBondContact CA-O 3.48Å; L233-V242 HydrophobicContact CD2-CB 3.7Å; L233-V242 HydrophobicContact CD2-CG2 3.69Å; L233-Y430 PolarHBondContact N-O 3.09Å; L233-G431 CarbonylContact O-C 3.6Å; L233-G431 WeakPolarHBondContact O-CA 3.38Å; L233-M432 PolarHBondContact O-N 3.35Å; L233-Y435 HydrophobicContact CB-CD2 4.05Å; L233-Y435 HydrophobicContact CB-CE2 3.62Å; L233-Y435 HydrophobicContact CD1-CE2 4.13Å; L233-L500 HydrophobicContact CD1-CD1 3.43Å; L233-L500 VanDerWaalsContact CD1-CD1 3.43Å; L233-L504 HydrophobicContact CD1-CD1 3.79Å; L233-L504 HydrophobicContact CD2-CD1 3.51Å; L233-L504 HydrophobicContact CG-CD1 4.29Å; L233-F506 HydrophobicContact CD1-CE1 4.18Å; L233-F506 HydrophobicContact CD1-CE2 4.12Å; L233-F506 HydrophobicContact CD1-CZ 3.85Å; L233-F506 HydrophobicContact CD2-CE2 4.4Å; L233-F506 HydrophobicContact CD2-CZ 4.26Å; L233-F506 HydrophobicContact CG-CZ 4.28Å; L233-F513 HydrophobicContact CB-CE2 4.49Å; L233-F513 HydrophobicContact CD1-CE2 3.73Å; L233-F513 HydrophobicContact CD1-CZ 4.2Å; L233-F513 HydrophobicContact CG-CE2 4.32Å
234	D	97.6	Very high	91	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108	173.9	-167.2	2	0	0	0	109.1	L240 Q241 M432 S433	D234-L240 CarbonylContact O-C 3.55Å; D234-L240 WeakPolarHBondContact O-CA 3.48Å; D234-Q241 HydrophobicContact CB-CB 4.25Å; D234-Q241 PolarHBondContact N-O 2.85Å; D234-Q241 PolarHBondContact O-N 3.12Å; D234-Q241 PolarHBondContact O-OE1 2.96Å; D234-Q241 VanDerWaalsContact O-OE1 3.14Å; D234-M432 HydrophobicContact CB-CE 3.62Å; D234-S433 VanDerWaalsContact OD1-CB 3.27Å; D234-S433 WeakPolarHBondContact OD1-CB 3.35Å; D234-S433 PolarHBondContact OD1-OG 3.44Å
235	L	97.5	Very high	93.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	93.6	175.5	-179.4	59	0	0	0	109	L240 Y286 S433 E434 Y435 A496 L499	L235-L240 HydrophobicContact CB-CD1 4.1Å; L235-L240 HydrophobicContact CD1-CB 4.01Å; L235-L240 HydrophobicContact CD1-CD1 4.19Å; L235-Y286 WeakPolarHBondContact CD1-O 3.43Å; L235-S433 WeakPolarHBondContact O-CB 3.4Å; L235-E434 HydrophobicContact CB-CB 3.94Å; L235-E434 HydrophobicContact CD2-CB 3.8Å; L235-E434 HydrophobicContact CD2-CG 3.93Å; L235-E434 HydrophobicContact CG-CB 3.67Å; L235-E434 HydrophobicContact CG-CG 4.24Å; L235-E434 WeakPolarHBondContact O-CB 3.46Å; L235-E434 PolarHBondContact O-N 2.96Å; L235-Y435 HydrophobicContact CB-CD2 3.79Å; L235-Y435 HydrophobicContact CB-CE2 3.64Å; L235-Y435 HydrophobicContact CD2-CE2 4.44Å; L235-A496 HydrophobicContact CD2-CB 3.62Å; L235-L499 HydrophobicContact CD1-CD1 3.84Å; L235-L499 HydrophobicContact CD2-CD1 4.12Å
236	G	96.1	Very high	94.3	Very high	16 Å²	16	18.9 Å²	18.9	17%	0.165	9%	0.091	C	C	.	.			trans	-81.5	-171.9	177.8	0	0	0	0	0	113.1	A238 S239 G287 A288	G236-A238 VanDerWaalsContact C-N 3.35Å; G236-A238 PolarHBondContact O-N 2.85Å; G236-S239 PolarHBondContact N-O 2.85Å; G236-G287 CarbonylContact O-C 3.53Å; G236-G287 WeakPolarHBondContact O-CA 3.34Å; G236-A288 PolarHBondContact O-N 3.01Å
237	G	94.9	Very high	94.5	Very high	14 Å²	14	23 Å²	23	14%	0.144	11%	0.111	C	C	.	.	S	Bend	trans	-70.4	-28.1	178.4	0	0	0	0	0	114	G287 A288 N289 T290	G237-G287 CarbonylContact O-C 3.6Å; G237-A288 PolarHBondContact O-N 3.12Å; G237-N289 WeakPolarHBondContact O-CA 3.2Å; G237-N289 VanDerWaalsContact O-CB 3.3Å; G237-N289 WeakPolarHBondContact O-CB 3.35Å; G237-N289 PolarHBondContact O-N 3.15Å; G237-T290 PolarHBondContact O-N 3.22Å
238	A	96.8	Very high	93.8	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	13%	0.127	C	C	.	.	S	Bend	trans	-131.8	-5	-174.3	0	0	0	0	0	115.2	S65 A148 L152 G236 G285 T290	S65-A238 PolarHBondContact OG-N 2.92Å; A148-A238 HydrophobicContact CB-CB 3.64Å; L152-A238 HydrophobicContact CD1-CB 3.89Å; G236-A238 VanDerWaalsContact C-N 3.35Å; G236-A238 PolarHBondContact O-N 2.85Å; A238-G285 WeakPolarHBondContact O-CA 3.36Å; A238-G285 PolarHBondContact O-N 3.19Å; A238-T290 HydrophobicContact CB-CG2 3.77Å
239	S	96.8	Very high	92.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.4	174.6	57.9	0	0	0	0	111.8	A148 R151 G236 Q241 Y283	A148-S239 WeakPolarHBondContact CB-OG 3.23Å; R151-S239 PolarHBondContact NH2-OG 3.14Å; G236-S239 PolarHBondContact N-O 2.85Å; S239-Q241 PolarHBondContact OG-NE2 3.41Å; S239-Q241 PolarHBondContact OG-OE1 3.31Å; S239-Y283 WeakPolarHBondContact CA-O 3.49Å; S239-Y283 WeakPolarHBondContact CB-O 3.45Å
240	L	96.5	Very high	91.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.3	167.9	169.3	67.4	0	0	0	109	D234 L235 T282 Y283 L414 Y435 L499 L504	D234-L240 CarbonylContact O-C 3.55Å; D234-L240 WeakPolarHBondContact O-CA 3.48Å; L235-L240 HydrophobicContact CB-CD1 4.1Å; L235-L240 HydrophobicContact CD1-CB 4.01Å; L235-L240 HydrophobicContact CD1-CD1 4.19Å; L240-T282 CarbonylContact O-C 3.52Å; L240-T282 VanDerWaalsContact O-CA 3.27Å; L240-T282 WeakPolarHBondContact O-CA 3.48Å; L240-T282 PolarHBondContact O-OG1 3.09Å; L240-Y283 HydrophobicContact CB-CD2 4.3Å; L240-Y283 HydrophobicContact CD2-CD2 3.81Å; L240-Y283 HydrophobicContact CD2-CE2 4.36Å; L240-Y283 HydrophobicContact CG-CD2 4.08Å; L240-Y283 PolarHBondContact N-O 2.8Å; L240-Y283 PolarHBondContact O-N 2.73Å; L240-L414 HydrophobicContact CD2-CD1 4.09Å; L240-Y435 HydrophobicContact CD1-CE2 4.17Å; L240-L499 HydrophobicContact CD2-CD1 4.24Å; L240-L504 HydrophobicContact CD1-CD1 4.46Å; L240-L504 HydrophobicContact CD2-CD1 4.06Å; L240-L504 HydrophobicContact CD2-CD2 4.25Å; L240-L504 HydrophobicContact CD2-CG 4.22Å
241	Q	97.1	Very high	89.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.9	174	-70.2	81.1	-8.2	0	0	110.2	G187 E190 L233 D234 S239 N281	G187-Q241 WeakPolarHBondContact O-CG 3.45Å; E190-Q241 PolarHBondContact OE1-NE2 2.93Å; E190-Q241 PolarHBondContact OE2-NE2 3.01Å; L233-Q241 CarbonylContact C-O 3.58Å; L233-Q241 WeakPolarHBondContact CA-O 3.48Å; D234-Q241 HydrophobicContact CB-CB 4.25Å; D234-Q241 PolarHBondContact N-O 2.85Å; D234-Q241 PolarHBondContact O-N 3.12Å; D234-Q241 PolarHBondContact O-OE1 2.96Å; D234-Q241 VanDerWaalsContact O-OE1 3.14Å; S239-Q241 PolarHBondContact OG-NE2 3.41Å; S239-Q241 PolarHBondContact OG-OE1 3.31Å; Q241-N281 WeakPolarHBondContact CA-O 3.33Å
242	V	95.8	Very high	87.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.5	171.5	51.9	0	0	0	0	108.2	L233 Y244 F279 V280 N281 Y283	L233-V242 HydrophobicContact CD2-CB 3.7Å; L233-V242 HydrophobicContact CD2-CG2 3.69Å; V242-Y244 HydrophobicContact CG2-CD1 4.14Å; V242-Y244 HydrophobicContact CG2-CE1 4.2Å; V242-F279 HydrophobicContact CG1-CE1 4.25Å; V242-V280 VanDerWaalsContact O-CA 3.29Å; V242-V280 WeakPolarHBondContact O-CA 3.28Å; V242-N281 HydrophobicContact CG1-CB 3.86Å; V242-N281 PolarHBondContact N-O 2.74Å; V242-N281 PolarHBondContact O-N 2.85Å; V242-Y283 HydrophobicContact CG1-CE2 4.34Å
243	A	96.3	Very high	85.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	139.3	174.7	0	0	0	0	0	112.3	W195 G231 I232 V278 F279 V280	W195-A243 HydrophobicContact CB-CB 3.94Å; W195-A243 HydrophobicContact CG-CB 4.41Å; G231-A243 CarbonylContact C-O 3.59Å; G231-A243 WeakPolarHBondContact CA-O 3.4Å; I232-A243 HydrophobicContact CD1-CB 3.91Å; I232-A243 HydrophobicContact CG1-CB 3.98Å; I232-A243 PolarHBondContact N-O 3.13Å; I232-A243 PolarHBondContact O-N 3.1Å; A243-V278 HydrophobicContact CB-CG1 4.06Å; A243-F279 WeakPolarHBondContact CA-O 3.19Å; A243-V280 HydrophobicContact CB-CB 4.11Å; A243-V280 HydrophobicContact CB-CG2 4.21Å
244	Y	94.9	Very high	83.5	Confident	13 Å²	13	46.6 Å²	46.6	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	155	176.8	57.1	-84.2	0	0	0	111.1	V242 V246 V278 F279 P420 I422 F429	V242-Y244 HydrophobicContact CG2-CD1 4.14Å; V242-Y244 HydrophobicContact CG2-CE1 4.2Å; Y244-V246 HydrophobicContact CD2-CG1 3.88Å; Y244-V246 HydrophobicContact CE2-CG1 3.61Å; Y244-V278 WeakPolarHBondContact O-CA 3.27Å; Y244-F279 AromaticContact CD1-CD1 3.98Å; Y244-F279 HydrophobicContact CD1-CD1 3.98Å; Y244-F279 HydrophobicContact CD2-CB 4.49Å; Y244-F279 HydrophobicContact CE1-CB 4.22Å; Y244-F279 AromaticContact CE1-CD1 3.36Å; Y244-F279 HydrophobicContact CE1-CD1 3.36Å; Y244-F279 HydrophobicContact CE1-CE1 4.13Å; Y244-F279 AromaticContact CE1-CG 3.97Å; Y244-F279 HydrophobicContact CE1-CG 3.97Å; Y244-F279 HydrophobicContact CE2-CB 4.22Å; Y244-F279 AromaticContact CZ-CD1 3.81Å; Y244-F279 AromaticContact CZ-CG 3.95Å; Y244-F279 PolarHBondContact N-O 3.05Å; Y244-F279 PolarHBondContact O-N 3.21Å; Y244-P420 HydrophobicContact CE2-CB 4.45Å; Y244-P420 WeakPolarHBondContact OH-CD 3.5Å; Y244-P420 PolarHBondContact OH-O 3.46Å; Y244-I422 HydrophobicContact CE1-CD1 3.83Å; Y244-I422 HydrophobicContact CE1-CG1 4.2Å; Y244-I422 HydrophobicContact CE2-CG1 4.04Å; Y244-I422 WeakPolarHBondContact OH-CG1 3.27Å; Y244-F429 HydrophobicContact CD1-CE1 4.31Å
245	E	93.2	Very high	81.7	Confident	60 Å²	60	51.1 Å²	51.1	28%	0.28	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138	176.4	-174.5	175.4	-166.9	0	0	111	W195 R226 T229 F276 T277	W195-E245 HydrophobicContact CZ2-CB 3.95Å; R226-E245 IonicContact NH1-OE1 3.96Å; T229-E245 WeakPolarHBondContact CB-OE2 3.45Å; T229-E245 WeakPolarHBondContact CG2-OE2 3.45Å; T229-E245 WeakPolarHBondContact OG1-CB 3.39Å; T229-E245 PolarHBondContact OG1-OE2 3.08Å; E245-F276 WeakPolarHBondContact OE1-CD1 3.42Å; E245-T277 WeakPolarHBondContact CA-O 3.48Å
246	V	88.8	Confident	80.4	Confident	16 Å²	16	55.9 Å²	55.9	10%	0.097	31%	0.31	C	S	.	.			trans	-120.8	148.9	173.7	-65.7	0	0	0	0	110.4	Y244 V251 Y260 T277 F279 P420	Y244-V246 HydrophobicContact CD2-CG1 3.88Å; Y244-V246 HydrophobicContact CE2-CG1 3.61Å; V246-V251 HydrophobicContact CG2-CG2 3.97Å; V246-Y260 HydrophobicContact CG2-CD1 3.83Å; V246-Y260 HydrophobicContact CG2-CE1 3.97Å; V246-T277 HydrophobicContact CG2-CG2 3.82Å; V246-T277 PolarHBondContact N-O 3.01Å; V246-F279 HydrophobicContact CG1-CB 3.75Å; V246-P420 HydrophobicContact CG1-CB 4.27Å; V246-P420 HydrophobicContact CG1-CG 4.18Å
247	K	81.9	Confident	79.5	Confident	167 Å²	167	63 Å²	63	73%	0.726	34%	0.339	S	S	*	.			trans	-69.6	133.6	172.2	-66.9	-178.5	-179.3	176.1	0	108.9	S249 A250	K247-S249 PolarHBondContact O-N 3.25Å; K247-S249 VanDerWaalsContact O-N 3.1Å; K247-A250 VanDerWaalsContact O-CB 3.29Å; K247-A250 WeakPolarHBondContact O-CB 3.38Å; K247-A250 PolarHBondContact O-N 3.2Å
248	R	71.6	Confident	79.1	Confident	170 Å²	170	65.3 Å²	65.3	64%	0.642	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.8	-35.4	178.9	-170.1	-178.1	-179.2	92.3	-1.7	113.1	A250 V251 E262	R248-A250 VanDerWaalsContact C-N 3.26Å; R248-A250 PolarHBondContact O-N 3.19Å; R248-V251 WeakPolarHBondContact O-CB 3.33Å; R248-V251 PolarHBondContact O-N 3.2Å; R248-V251 VanDerWaalsContact O-N 3.13Å; R248-E262 IonicContact CZ-OE2 3.9Å; R248-E262 IonicContact NH1-OE2 3.19Å; R248-E262 PolarHBondContact NH1-OE2 3.12Å
249	S	68.6	Low	78.7	Confident	94 Å²	94	67.1 Å²	67.1	66%	0.657	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-65	-26.6	176.6	57	0	0	0	0	113.7	K247 V251 H252	K247-S249 PolarHBondContact O-N 3.25Å; K247-S249 VanDerWaalsContact O-N 3.1Å; S249-V251 PolarHBondContact O-N 2.84Å; S249-H252 PolarHBondContact O-N 2.83Å
250	A	65.2	Low	78.3	Confident	44 Å²	44	68.3 Å²	68.3	36%	0.364	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-74	-14.9	175.6	0	0	0	0	0	112.8	K247 R248	K247-A250 VanDerWaalsContact O-CB 3.29Å; K247-A250 WeakPolarHBondContact O-CB 3.38Å; K247-A250 PolarHBondContact O-N 3.2Å; R248-A250 VanDerWaalsContact C-N 3.26Å; R248-A250 PolarHBondContact O-N 3.19Å
251	V	62	Low	78.1	Confident	32 Å²	32	70.8 Å²	70.8	19%	0.194	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-25.3	177.7	-170.8	0	0	0	0	111.1	V246 R248 S249 G253 L254 Y260 T277	V246-V251 HydrophobicContact CG2-CG2 3.97Å; R248-V251 WeakPolarHBondContact O-CB 3.33Å; R248-V251 PolarHBondContact O-N 3.2Å; R248-V251 VanDerWaalsContact O-N 3.13Å; S249-V251 PolarHBondContact O-N 2.84Å; V251-G253 PolarHBondContact O-N 3.4Å; V251-L254 PolarHBondContact O-N 2.99Å; V251-Y260 HydrophobicContact CG1-CD1 4.48Å; V251-Y260 HydrophobicContact CG1-CD2 4Å; V251-Y260 HydrophobicContact CG1-CE2 4.09Å; V251-Y260 HydrophobicContact CG1-CG 4.18Å; V251-Y260 HydrophobicContact CG2-CD1 3.92Å; V251-Y260 HydrophobicContact CG2-CE1 3.89Å; V251-Y260 HydrophobicContact CG2-CG 4.39Å; V251-T277 HydrophobicContact CG2-CG2 4.29Å
252	H	55.1	Low	77.9	Confident	177 Å²	177	74.5 Å²	74.5	82%	0.819	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	102.3	-176	-159.4	66.5	0	0	0	110.8	S249	S249-H252 PolarHBondContact O-N 2.83Å
253	G	55.5	Low	77.9	Confident	79 Å²	79	74.7 Å²	74.7	81%	0.814	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	4	177.6	0	0	0	0	0	115.9	V251	V251-G253 PolarHBondContact O-N 3.4Å
254	L	51.5	Low	77.7	Confident	89 Å²	89	75.2 Å²	75.2	47%	0.466	40%	0.397	S	S	.	.	S	Bend	trans	-125.2	120.1	177	-71.1	171.2	0	0	0	111.2	V251	V251-L254 PolarHBondContact O-N 2.99Å
255	L	60.4	Low	77.7	Confident	99 Å²	99	74.6 Å²	74.6	52%	0.518	40%	0.395	S	S	.	.	S	Bend	trans	51.7	154.3	154.3	-65.2	159	0	0	0	119.8	E257 Y418	L255-E257 PolarHBondContact O-N 2.66Å; L255-Y418 HydrophobicContact CD1-CD1 2.97Å; L255-Y418 HydrophobicContact CD1-CD2 3.73Å; L255-Y418 HydrophobicContact CD1-CE1 3.35Å; L255-Y418 HydrophobicContact CD1-CE2 4.05Å; L255-Y418 HydrophobicContact CD1-CG 3.16Å; L255-Y418 HydrophobicContact CG-CD1 4.4Å
256	N	70	Confident	77.5	Confident	100 Å²	100	72 Å²	72	54%	0.535	38%	0.384	S	S	.	.			trans	-32.8	115.9	-170.5	-169.5	-4.7	0	0	0	115.8	S258 F259	N256-S258 PolarHBondContact ND2-OG 3.11Å; N256-S258 PolarHBondContact O-N 2.92Å; N256-S258 WeakPolarHBondContact OD1-CB 3.46Å; N256-S258 PolarHBondContact OD1-N 3.06Å; N256-S258 VanDerWaalsContact OD1-N 3.13Å; N256-S258 PolarHBondContact OD1-OG 2.63Å; N256-S258 VanDerWaalsContact OD1-OG 3.09Å; N256-F259 HydrophobicContact CB-CD2 4.08Å; N256-F259 HydrophobicContact CB-CE2 4.06Å; N256-F259 PolarHBondContact O-N 2.66Å
257	E	76.8	Confident	77.3	Confident	165 Å²	165	73.3 Å²	73.3	77%	0.771	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-57	-18.7	178.8	-66.4	-171.9	163.6	0	0	113.4	L255 F259 Y260	L255-E257 PolarHBondContact O-N 2.66Å; E257-F259 PolarHBondContact O-N 3.19Å; E257-F259 VanDerWaalsContact O-N 3.13Å; E257-Y260 PolarHBondContact O-N 3.37Å; E257-Y260 VanDerWaalsContact O-N 3.1Å
258	S	85.7	Confident	77.4	Confident	63 Å²	63	68.7 Å²	68.7	44%	0.441	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-58.3	-27.6	-179.4	69.6	0	0	0	0	114.4	K188 N256 Y260	K188-S258 PolarHBondContact NZ-O 3.42Å; N256-S258 PolarHBondContact ND2-OG 3.11Å; N256-S258 PolarHBondContact O-N 2.92Å; N256-S258 WeakPolarHBondContact OD1-CB 3.46Å; N256-S258 PolarHBondContact OD1-N 3.06Å; N256-S258 VanDerWaalsContact OD1-N 3.13Å; N256-S258 PolarHBondContact OD1-OG 2.63Å; N256-S258 VanDerWaalsContact OD1-OG 3.09Å; S258-Y260 VanDerWaalsContact C-N 3.32Å
259	F	88.2	Confident	78.1	Confident	41 Å²	41	64.3 Å²	64.3	18%	0.18	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-82.2	-6.9	-179.2	-64.1	-68.1	0	0	0	114.2	N256 E257 F279 V280 N281 V417	N256-F259 HydrophobicContact CB-CD2 4.08Å; N256-F259 HydrophobicContact CB-CE2 4.06Å; N256-F259 PolarHBondContact O-N 2.66Å; E257-F259 PolarHBondContact O-N 3.19Å; E257-F259 VanDerWaalsContact O-N 3.13Å; F259-F279 HydrophobicContact CB-CD2 4.03Å; F259-F279 HydrophobicContact CB-CE2 3.51Å; F259-F279 HydrophobicContact CB-CZ 4.15Å; F259-F279 HydrophobicContact CD1-CE2 4.44Å; F259-F279 HydrophobicContact CD1-CZ 4.35Å; F259-F279 HydrophobicContact CG-CE2 4.07Å; F259-F279 HydrophobicContact CG-CZ 4.43Å; F259-F279 WeakPolarHBondContact O-CA 3.44Å; F259-V280 PolarHBondContact O-N 2.97Å; F259-N281 HydrophobicContact CD1-CB 4.23Å; F259-N281 WeakPolarHBondContact CE1-OD1 3.27Å; F259-V417 HydrophobicContact CD1-CG1 4.24Å; F259-V417 HydrophobicContact CE1-CG1 3.62Å; F259-V417 HydrophobicContact CE1-CG2 4.34Å; F259-V417 HydrophobicContact CE2-CG1 4.15Å; F259-V417 HydrophobicContact CZ-CB 4.48Å; F259-V417 HydrophobicContact CZ-CG1 3.57Å; F259-V417 HydrophobicContact CZ-CG2 4.17Å
260	Y	89.6	Confident	78.9	Confident	25 Å²	25	65.6 Å²	65.6	10%	0.098	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.5	-178.6	-54.6	-83.6	0	0	0	110.5	K188 V246 V251 E257 S258 V278 F279 P420	K188-Y260 PolarHBondContact NZ-O 3.41Å; V246-Y260 HydrophobicContact CG2-CD1 3.83Å; V246-Y260 HydrophobicContact CG2-CE1 3.97Å; V251-Y260 HydrophobicContact CG1-CD1 4.48Å; V251-Y260 HydrophobicContact CG1-CD2 4Å; V251-Y260 HydrophobicContact CG1-CE2 4.09Å; V251-Y260 HydrophobicContact CG1-CG 4.18Å; V251-Y260 HydrophobicContact CG2-CD1 3.92Å; V251-Y260 HydrophobicContact CG2-CE1 3.89Å; V251-Y260 HydrophobicContact CG2-CG 4.39Å; E257-Y260 PolarHBondContact O-N 3.37Å; E257-Y260 VanDerWaalsContact O-N 3.1Å; S258-Y260 VanDerWaalsContact C-N 3.32Å; Y260-V278 CarbonylContact C-O 3.49Å; Y260-V278 WeakPolarHBondContact CA-O 3.18Å; Y260-F279 HydrophobicContact CD1-CB 4.25Å; Y260-F279 HydrophobicContact CD1-CD2 4.26Å; Y260-F279 HydrophobicContact CE1-CB 4.24Å; Y260-F279 AromaticContact CE1-CD2 3.82Å; Y260-F279 HydrophobicContact CE1-CD2 3.82Å; Y260-P420 HydrophobicContact CE1-CG 3.9Å; Y260-P420 WeakPolarHBondContact OH-CG 3.45Å
261	Q	92.9	Very high	79.8	Confident	53 Å²	53	64.4 Å²	64.4	25%	0.248	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.1	170.5	-172.1	61.1	55.9	0	0	109.8	I192 I263 V278	I192-Q261 HydrophobicContact CD1-CB 3.65Å; I192-Q261 HydrophobicContact CD1-CG 3.66Å; Q261-I263 HydrophobicContact CB-CG2 4.49Å; Q261-I263 HydrophobicContact CG-CG2 3.62Å; Q261-V278 PolarHBondContact N-O 3.24Å; Q261-V278 PolarHBondContact O-N 3.12Å
262	E	92.6	Very high	81	Confident	78 Å²	78	67.5 Å²	67.5	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.6	164.6	-163.4	174.4	88	0	0	108.7	R248 K275 F276	R248-E262 IonicContact CZ-OE2 3.9Å; R248-E262 IonicContact NH1-OE2 3.19Å; R248-E262 PolarHBondContact NH1-OE2 3.12Å; E262-K275 VanDerWaalsContact CG-CE 3.43Å; E262-K275 HydrophobicContact CG-CG 4.24Å; E262-K275 WeakPolarHBondContact OE1-CE 3.44Å; E262-K275 IonicContact OE1-NZ 3.07Å; E262-K275 PolarHBondContact OE1-NZ 3.23Å; E262-K275 WeakPolarHBondContact OE2-CE 3.42Å; E262-K275 IonicContact OE2-NZ 2.67Å; E262-K275 PolarHBondContact OE2-NZ 2.93Å; E262-F276 WeakPolarHBondContact CA-O 3.22Å
263	I	94.5	Very high	82.4	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.5	176.9	63.1	174	0	0	0	110.4	W189 I192 W195 I196 Q261 L265 K275 F276 V278 Y533	W189-I263 HydrophobicContact CH2-CG2 4.32Å; W189-I263 HydrophobicContact CZ3-CG2 4.44Å; I192-I263 HydrophobicContact CG2-CD1 4.05Å; I192-I263 HydrophobicContact CG2-CG2 4.19Å; W195-I263 HydrophobicContact CE3-CD1 4.24Å; W195-I263 HydrophobicContact CZ3-CD1 3.86Å; I196-I263 HydrophobicContact CD1-CD1 4.05Å; I196-I263 HydrophobicContact CG1-CD1 4.13Å; Q261-I263 HydrophobicContact CB-CG2 4.49Å; Q261-I263 HydrophobicContact CG-CG2 3.62Å; I263-L265 HydrophobicContact CD1-CD2 4.29Å; I263-K275 CarbonylContact O-C 3.47Å; I263-K275 WeakPolarHBondContact O-CA 3.42Å; I263-F276 HydrophobicContact CG1-CB 3.97Å; I263-F276 PolarHBondContact N-O 2.84Å; I263-F276 PolarHBondContact O-N 2.88Å; I263-V278 HydrophobicContact CD1-CG2 4.03Å; I263-V278 HydrophobicContact CG1-CG2 4.3Å; I263-Y533 HydrophobicContact CB-CE2 4.21Å; I263-Y533 HydrophobicContact CG2-CE2 4.33Å
264	N	93.6	Very high	84	Confident	10 Å²	10	60 Å²	60	5%	0.053	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.4	169.1	-159	-28.5	0	0	0	109	G266 N268 D269 S271 F274 R536	N264-G266 PolarHBondContact OD1-N 3.41Å; N264-N268 PolarHBondContact ND2-O 3.48Å; N264-D269 WeakPolarHBondContact ND2-CA 3.46Å; N264-D269 PolarHBondContact ND2-O 2.83Å; N264-S271 PolarHBondContact ND2-O 2.94Å; N264-F274 WeakPolarHBondContact CA-O 3.27Å; N264-F274 PolarHBondContact OD1-O 3.43Å; N264-R536 WeakPolarHBondContact O-CD 3.5Å; N264-R536 PolarHBondContact O-NE 3.38Å
265	L	93.6	Very high	85.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.319	C	S	.	.			trans	-98.3	-7.1	176.5	-55.3	-178.5	0	0	0	112.7	I85 I196 F205 I263 F274 F276 L532 Y533	I85-L265 HydrophobicContact CG2-CB 3.84Å; I196-L265 HydrophobicContact CD1-CD2 3.7Å; I196-L265 HydrophobicContact CG1-CD2 4.09Å; I196-L265 HydrophobicContact CG2-CD1 4.41Å; I196-L265 HydrophobicContact CG2-CD2 4.37Å; F205-L265 HydrophobicContact CD1-CD1 4.04Å; F205-L265 HydrophobicContact CD2-CD1 3.77Å; F205-L265 HydrophobicContact CE1-CD1 3.78Å; F205-L265 HydrophobicContact CE2-CD1 3.48Å; F205-L265 VanDerWaalsContact CE2-CD1 3.48Å; F205-L265 HydrophobicContact CG-CD1 4.03Å; F205-L265 HydrophobicContact CZ-CD1 3.48Å; F205-L265 VanDerWaalsContact CZ-CD1 3.48Å; I263-L265 HydrophobicContact CD1-CD2 4.29Å; L265-F274 HydrophobicContact CB-CB 4.17Å; L265-F274 PolarHBondContact N-O 3.03Å; L265-F276 HydrophobicContact CD1-CD2 4.37Å; L265-F276 HydrophobicContact CD1-CE2 3.96Å; L265-F276 HydrophobicContact CG-CD2 4.36Å; L265-F276 HydrophobicContact CG-CE2 4.21Å; L265-L532 HydrophobicContact CB-CD2 4.1Å; L265-L532 HydrophobicContact CD1-CD2 4.17Å; L265-L532 HydrophobicContact CD2-CD2 3.86Å; L265-L532 HydrophobicContact CG-CD2 4.27Å; L265-Y533 HydrophobicContact CD2-CD2 4.02Å
266	G	89.1	Confident	87.5	Confident	4 Å²	4	54.7 Å²	54.7	4%	0.041	29%	0.294	C	S	.	.	S	Bend	trans	-80.8	161.3	172.9	0	0	0	0	0	111.9	N264 N268	N264-G266 PolarHBondContact OD1-N 3.41Å; G266-N268 VanDerWaalsContact C-N 3.31Å
267	C	84.8	Confident	88.6	Confident	45 Å²	45	51 Å²	51	30%	0.304	28%	0.275	S	S	.	.	S	Bend	trans	-73.4	-22.1	176.6	61.5	0	0	0	0	113.6	R536 H537	C267-R536 WeakPolarHBondContact CA-O 3.37Å; C267-R536 VanDerWaalsContact CB-O 3.25Å; C267-R536 WeakPolarHBondContact CB-O 3.18Å; C267-H537 PolarHBondContact O-ND1 2.98Å
268	N	85.3	Confident	89.4	Confident	69 Å²	69	43.1 Å²	43.1	37%	0.369	24%	0.239	S	C	.	.			trans	-99.5	105.4	173	178.3	6.7	0	0	0	110.4	V82 N264 G266 T270 S271	V82-N268 HydrophobicContact CG1-CB 4.13Å; N264-N268 PolarHBondContact ND2-O 3.48Å; G266-N268 VanDerWaalsContact C-N 3.31Å; N268-T270 VanDerWaalsContact CG-OG1 3.31Å; N268-T270 PolarHBondContact ND2-OG1 3.03Å; N268-T270 PolarHBondContact O-N 3.02Å; N268-T270 VanDerWaalsContact O-N 3.16Å; N268-T270 PolarHBondContact OD1-N 3.41Å; N268-T270 PolarHBondContact OD1-OG1 3.47Å; N268-S271 VanDerWaalsContact O-CB 3.26Å; N268-S271 WeakPolarHBondContact O-CB 3.43Å; N268-S271 PolarHBondContact O-N 3.48Å
269	D	84.6	Confident	89.8	Confident	79 Å²	79	40.1 Å²	40.1	42%	0.422	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.5	-177.4	-65.7	-47.4	0	0	0	113.6	N264 S271 R536 H537	N264-D269 WeakPolarHBondContact ND2-CA 3.46Å; N264-D269 PolarHBondContact ND2-O 2.83Å; D269-S271 VanDerWaalsContact C-N 3.32Å; D269-R536 IonicContact OD1-CZ 3.38Å; D269-R536 IonicContact OD1-NE 2.75Å; D269-R536 IonicContact OD1-NH2 3.08Å; D269-R536 PolarHBondContact OD1-NH2 2.95Å; D269-R536 VanDerWaalsContact OD1-NH2 3.08Å; D269-H537 IonicContact OD1-CE1 3.61Å; D269-H537 IonicContact OD2-CE1 3.37Å; D269-H537 PolarHBondContact OD2-CE1 2.8Å; D269-H537 IonicContact OD2-NE2 3.95Å
270	T	85.9	Confident	90	Very high	120 Å²	120	38.3 Å²	38.3	74%	0.736	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.2	176.8	67.6	0	0	0	0	113	N268	N268-T270 VanDerWaalsContact CG-OG1 3.31Å; N268-T270 PolarHBondContact ND2-OG1 3.03Å; N268-T270 PolarHBondContact O-N 3.02Å; N268-T270 VanDerWaalsContact O-N 3.16Å; N268-T270 PolarHBondContact OD1-N 3.41Å; N268-T270 PolarHBondContact OD1-OG1 3.47Å
271	S	84.9	Confident	90.2	Very high	20 Å²	20	37.9 Å²	37.9	14%	0.14	21%	0.21	C	C	.	.			trans	-72	126.9	-178.4	179.9	0	0	0	0	111	N264 N268 D269 L273	N264-S271 PolarHBondContact ND2-O 2.94Å; N268-S271 VanDerWaalsContact O-CB 3.26Å; N268-S271 WeakPolarHBondContact O-CB 3.43Å; N268-S271 PolarHBondContact O-N 3.48Å; D269-S271 VanDerWaalsContact C-N 3.32Å; S271-L273 PolarHBondContact O-N 3.14Å; S271-L273 WeakPolarHBondContact OG-CB 3.42Å; S271-L273 WeakPolarHBondContact OG-CG 3.26Å; S271-L273 PolarHBondContact OG-N 2.93Å
272	P	86.2	Confident	90.3	Very high	96 Å²	96	37.1 Å²	37.1	62%	0.623	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-74.2	-9.3	175.3	31.7	-35.6	0	0	0	112.8	F274 K275	P272-F274 VanDerWaalsContact C-N 3.33Å; P272-F274 PolarHBondContact O-N 2.99Å; P272-K275 WeakPolarHBondContact O-CB 3.42Å; P272-K275 PolarHBondContact O-N 3.28Å
273	L	84.4	Confident	90.3	Very high	75 Å²	75	33.4 Å²	33.4	39%	0.393	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-60.1	-39	-168.3	-69.6	176.7	0	0	0	113.8	R226 S271	R226-L273 PolarHBondContact NH2-O 3.16Å; S271-L273 PolarHBondContact O-N 3.14Å; S271-L273 WeakPolarHBondContact OG-CB 3.42Å; S271-L273 WeakPolarHBondContact OG-CG 3.26Å; S271-L273 PolarHBondContact OG-N 2.93Å
274	F	89.9	Confident	90.3	Very high	25 Å²	25	36.6 Å²	36.6	11%	0.11	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-121.2	30.4	180	-59.7	-67.7	0	0	0	111.6	I85 N264 L265 P272 F276	I85-F274 HydrophobicContact CG2-CB 4.19Å; I85-F274 HydrophobicContact CG2-CD1 3.46Å; I85-F274 VanDerWaalsContact CG2-CD1 3.46Å; I85-F274 HydrophobicContact CG2-CD2 3.99Å; I85-F274 HydrophobicContact CG2-CE1 3.72Å; I85-F274 HydrophobicContact CG2-CE2 4.22Å; I85-F274 HydrophobicContact CG2-CG 3.6Å; I85-F274 HydrophobicContact CG2-CZ 4.1Å; N264-F274 WeakPolarHBondContact CA-O 3.27Å; N264-F274 PolarHBondContact OD1-O 3.43Å; L265-F274 HydrophobicContact CB-CB 4.17Å; L265-F274 PolarHBondContact N-O 3.03Å; P272-F274 VanDerWaalsContact C-N 3.33Å; P272-F274 PolarHBondContact O-N 2.99Å; F274-F276 VanDerWaalsContact C-CE2 3.43Å; F274-F276 HydrophobicContact CB-CE2 4.33Å; F274-F276 WeakPolarHBondContact O-CD2 3.19Å; F274-F276 WeakPolarHBondContact O-CE2 3.4Å
275	K	92.3	Very high	90.2	Very high	73 Å²	73	37 Å²	37	32%	0.317	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.9	176.9	-167.8	167.6	-179.5	166.8	0	110.5	R226 E262 I263 P272	R226-K275 PolarHBondContact NH1-O 2.83Å; R226-K275 PolarHBondContact NH2-O 2.85Å; R226-K275 VanDerWaalsContact NH2-O 3.08Å; E262-K275 VanDerWaalsContact CG-CE 3.43Å; E262-K275 HydrophobicContact CG-CG 4.24Å; E262-K275 WeakPolarHBondContact OE1-CE 3.44Å; E262-K275 IonicContact OE1-NZ 3.07Å; E262-K275 PolarHBondContact OE1-NZ 3.23Å; E262-K275 WeakPolarHBondContact OE2-CE 3.42Å; E262-K275 IonicContact OE2-NZ 2.67Å; E262-K275 PolarHBondContact OE2-NZ 2.93Å; I263-K275 CarbonylContact O-C 3.47Å; I263-K275 WeakPolarHBondContact O-CA 3.42Å; P272-K275 WeakPolarHBondContact O-CB 3.42Å; P272-K275 PolarHBondContact O-N 3.28Å
276	F	93.2	Very high	90.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.5	-177.2	-58.3	-94.3	0	0	0	110.3	W195 F205 R226 T229 E245 E262 I263 L265 F274 V278	W195-F276 HydrophobicContact CH2-CB 4.07Å; W195-F276 AromaticContact CH2-CD1 3.64Å; W195-F276 HydrophobicContact CH2-CD1 3.64Å; W195-F276 HydrophobicContact CH2-CD2 4.45Å; W195-F276 HydrophobicContact CH2-CE1 4.15Å; W195-F276 AromaticContact CH2-CG 3.81Å; W195-F276 HydrophobicContact CH2-CG 3.81Å; W195-F276 HydrophobicContact CZ2-CD1 4.41Å; W195-F276 HydrophobicContact CZ3-CG 4.38Å; F205-F276 AromaticContact CD1-CE1 3.91Å; F205-F276 HydrophobicContact CD1-CE1 3.91Å; F205-F276 HydrophobicContact CD1-CE2 4.04Å; F205-F276 AromaticContact CD1-CZ 3.42Å; F205-F276 HydrophobicContact CD1-CZ 3.42Å; F205-F276 VanDerWaalsContact CD1-CZ 3.42Å; F205-F276 HydrophobicContact CE1-CE1 4.03Å; F205-F276 HydrophobicContact CE1-CE2 4.21Å; F205-F276 AromaticContact CE1-CZ 3.81Å; F205-F276 HydrophobicContact CE1-CZ 3.81Å; F205-F276 HydrophobicContact CG-CZ 4.41Å; R226-F276 VanDerWaalsContact CZ-CE1 3.41Å; T229-F276 HydrophobicContact CG2-CE1 4.1Å; E245-F276 WeakPolarHBondContact OE1-CD1 3.42Å; E262-F276 WeakPolarHBondContact CA-O 3.22Å; I263-F276 HydrophobicContact CG1-CB 3.97Å; I263-F276 PolarHBondContact N-O 2.84Å; I263-F276 PolarHBondContact O-N 2.88Å; L265-F276 HydrophobicContact CD1-CD2 4.37Å; L265-F276 HydrophobicContact CD1-CE2 3.96Å; L265-F276 HydrophobicContact CG-CD2 4.36Å; L265-F276 HydrophobicContact CG-CE2 4.21Å; F274-F276 VanDerWaalsContact C-CE2 3.43Å; F274-F276 HydrophobicContact CB-CE2 4.33Å; F274-F276 WeakPolarHBondContact O-CD2 3.19Å; F274-F276 WeakPolarHBondContact O-CE2 3.4Å; F276-V278 HydrophobicContact CB-CG2 4.29Å
277	T	92.7	Very high	90.6	Very high	22 Å²	22	37.2 Å²	37.2	14%	0.135	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.6	168.9	-54.6	0	0	0	0	107.6	E245 V246 V251	E245-T277 WeakPolarHBondContact CA-O 3.48Å; V246-T277 HydrophobicContact CG2-CG2 3.82Å; V246-T277 PolarHBondContact N-O 3.01Å; V251-T277 HydrophobicContact CG2-CG2 4.29Å
278	V	94.3	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.2	-173.8	-179.5	0	0	0	0	108.2	W195 A243 Y244 Y260 Q261 I263 F276	W195-V278 HydrophobicContact CD2-CG1 4.45Å; W195-V278 HydrophobicContact CD2-CG2 4.16Å; W195-V278 HydrophobicContact CE3-CG2 3.97Å; W195-V278 HydrophobicContact CG-CG1 4.46Å; W195-V278 HydrophobicContact CH2-CG2 4.09Å; W195-V278 HydrophobicContact CZ2-CG2 4.27Å; W195-V278 HydrophobicContact CZ3-CG2 3.96Å; A243-V278 HydrophobicContact CB-CG1 4.06Å; Y244-V278 WeakPolarHBondContact O-CA 3.27Å; Y260-V278 CarbonylContact C-O 3.49Å; Y260-V278 WeakPolarHBondContact CA-O 3.18Å; Q261-V278 PolarHBondContact N-O 3.24Å; Q261-V278 PolarHBondContact O-N 3.12Å; I263-V278 HydrophobicContact CD1-CG2 4.03Å; I263-V278 HydrophobicContact CG1-CG2 4.3Å; F276-V278 HydrophobicContact CB-CG2 4.29Å
279	F	92.8	Very high	91.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.8	160.5	174.5	-82.8	0	0	0	107.8	V242 A243 Y244 V246 F259 Y260 N281 L419 P420	V242-F279 HydrophobicContact CG1-CE1 4.25Å; A243-F279 WeakPolarHBondContact CA-O 3.19Å; Y244-F279 AromaticContact CD1-CD1 3.98Å; Y244-F279 HydrophobicContact CD1-CD1 3.98Å; Y244-F279 HydrophobicContact CD2-CB 4.49Å; Y244-F279 HydrophobicContact CE1-CB 4.22Å; Y244-F279 AromaticContact CE1-CD1 3.36Å; Y244-F279 HydrophobicContact CE1-CD1 3.36Å; Y244-F279 HydrophobicContact CE1-CE1 4.13Å; Y244-F279 AromaticContact CE1-CG 3.97Å; Y244-F279 HydrophobicContact CE1-CG 3.97Å; Y244-F279 HydrophobicContact CE2-CB 4.22Å; Y244-F279 AromaticContact CZ-CD1 3.81Å; Y244-F279 AromaticContact CZ-CG 3.95Å; Y244-F279 PolarHBondContact N-O 3.05Å; Y244-F279 PolarHBondContact O-N 3.21Å; V246-F279 HydrophobicContact CG1-CB 3.75Å; F259-F279 HydrophobicContact CB-CD2 4.03Å; F259-F279 HydrophobicContact CB-CE2 3.51Å; F259-F279 HydrophobicContact CB-CZ 4.15Å; F259-F279 HydrophobicContact CD1-CE2 4.44Å; F259-F279 HydrophobicContact CD1-CZ 4.35Å; F259-F279 HydrophobicContact CG-CE2 4.07Å; F259-F279 HydrophobicContact CG-CZ 4.43Å; F259-F279 WeakPolarHBondContact O-CA 3.44Å; Y260-F279 HydrophobicContact CD1-CB 4.25Å; Y260-F279 HydrophobicContact CD1-CD2 4.26Å; Y260-F279 HydrophobicContact CE1-CB 4.24Å; Y260-F279 AromaticContact CE1-CD2 3.82Å; Y260-F279 HydrophobicContact CE1-CD2 3.82Å; F279-N281 HydrophobicContact CE1-CB 3.88Å; F279-N281 HydrophobicContact CZ-CB 3.84Å; F279-L419 HydrophobicContact CD1-CD2 4.34Å; F279-L419 HydrophobicContact CE1-CD2 3.29Å; F279-L419 HydrophobicContact CE2-CD2 3.83Å; F279-L419 HydrophobicContact CZ-CD2 2.99Å; F279-L419 HydrophobicContact CZ-CG 4.35Å; F279-P420 HydrophobicContact CD2-CG 3.73Å; F279-P420 HydrophobicContact CE2-CG 4.38Å; F279-P420 HydrophobicContact CG-CG 4.26Å
280	V	94.1	Very high	92.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.5	176.3	50	0	0	0	0	111.3	K188 I192 V242 A243 F259	K188-V280 HydrophobicContact CD-CG1 4.14Å; K188-V280 HydrophobicContact CG-CG1 3.52Å; K188-V280 HydrophobicContact CG-CG2 4.21Å; K188-V280 WeakPolarHBondContact O-CG2 3.16Å; I192-V280 HydrophobicContact CD1-CG1 4.07Å; I192-V280 HydrophobicContact CG1-CB 4.32Å; I192-V280 HydrophobicContact CG1-CG1 4Å; I192-V280 HydrophobicContact CG1-CG2 4.41Å; V242-V280 VanDerWaalsContact O-CA 3.29Å; V242-V280 WeakPolarHBondContact O-CA 3.28Å; A243-V280 HydrophobicContact CB-CB 4.11Å; A243-V280 HydrophobicContact CB-CG2 4.21Å; F259-V280 PolarHBondContact O-N 2.97Å
281	N	93.2	Very high	92.5	Very high	17 Å²	17	26 Å²	26	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.3	170.4	-165.1	25.9	0	0	0	111.4	Q241 V242 F259 F279 Y283	Q241-N281 WeakPolarHBondContact CA-O 3.33Å; V242-N281 HydrophobicContact CG1-CB 3.86Å; V242-N281 PolarHBondContact N-O 2.74Å; V242-N281 PolarHBondContact O-N 2.85Å; F259-N281 HydrophobicContact CD1-CB 4.23Å; F259-N281 WeakPolarHBondContact CE1-OD1 3.27Å; F279-N281 HydrophobicContact CE1-CB 3.88Å; F279-N281 HydrophobicContact CZ-CB 3.84Å; N281-Y283 VanDerWaalsContact ND2-CE1 3.34Å; N281-Y283 WeakPolarHBondContact ND2-CE1 3.38Å; N281-Y283 PolarHBondContact ND2-OH 3.11Å
282	T	94.2	Very high	92.9	Very high	36 Å²	36	26 Å²	26	22%	0.221	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.1	179.3	-174.5	0	0	0	0	110.5	L240	L240-T282 CarbonylContact O-C 3.52Å; L240-T282 VanDerWaalsContact O-CA 3.27Å; L240-T282 WeakPolarHBondContact O-CA 3.48Å; L240-T282 PolarHBondContact O-OG1 3.09Å
283	Y	93.7	Very high	93	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	99.4	176.9	-54.5	-83.2	0	0	0	108.4	S239 L240 V242 N281 L414 E415 V417 L504	S239-Y283 WeakPolarHBondContact CA-O 3.49Å; S239-Y283 WeakPolarHBondContact CB-O 3.45Å; L240-Y283 HydrophobicContact CB-CD2 4.3Å; L240-Y283 HydrophobicContact CD2-CD2 3.81Å; L240-Y283 HydrophobicContact CD2-CE2 4.36Å; L240-Y283 HydrophobicContact CG-CD2 4.08Å; L240-Y283 PolarHBondContact N-O 2.8Å; L240-Y283 PolarHBondContact O-N 2.73Å; V242-Y283 HydrophobicContact CG1-CE2 4.34Å; N281-Y283 VanDerWaalsContact ND2-CE1 3.34Å; N281-Y283 WeakPolarHBondContact ND2-CE1 3.38Å; N281-Y283 PolarHBondContact ND2-OH 3.11Å; Y283-L414 HydrophobicContact CD1-CB 3.78Å; Y283-L414 HydrophobicContact CD1-CD1 4.33Å; Y283-L414 HydrophobicContact CD2-CD1 4.16Å; Y283-L414 HydrophobicContact CE1-CB 3.34Å; Y283-L414 HydrophobicContact CE1-CD1 4.39Å; Y283-L414 HydrophobicContact CE1-CG 4.49Å; Y283-L414 WeakPolarHBondContact CE1-O 3.46Å; Y283-L414 HydrophobicContact CE2-CB 4.4Å; Y283-L414 HydrophobicContact CE2-CD1 4.2Å; Y283-L414 HydrophobicContact CG-CB 4.47Å; Y283-L414 HydrophobicContact CG-CD1 4.21Å; Y283-E415 HydrophobicContact CD1-CG 4.43Å; Y283-V417 HydrophobicContact CE1-CG2 4.43Å; Y283-L504 HydrophobicContact CE2-CD2 3.93Å
284	L	93.6	Very high	93.2	Very high	70 Å²	70	27.3 Å²	27.3	37%	0.366	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136.5	176.7	-174.4	64	0	0	0	109.4	A148 R151 L152 Y286	A148-L284 HydrophobicContact CB-CD1 3.71Å; R151-L284 HydrophobicContact CB-CD1 4.37Å; R151-L284 HydrophobicContact CB-CD2 4.26Å; L152-L284 HydrophobicContact CD2-CD1 4.07Å; L152-L284 HydrophobicContact CD2-CD2 4.02Å; L152-L284 HydrophobicContact CD2-CG 3.87Å; L152-L284 HydrophobicContact CG-CD1 4.14Å; L152-L284 HydrophobicContact CG-CG 4.48Å; L284-Y286 VanDerWaalsContact C-N 3.31Å
285	G	92.4	Very high	93.4	Very high	18 Å²	18	26.3 Å²	26.3	19%	0.186	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-11.3	-175.7	0	0	0	0	0	114.3	A238 T290	A238-G285 WeakPolarHBondContact O-CA 3.36Å; A238-G285 PolarHBondContact O-N 3.19Å; G285-T290 WeakPolarHBondContact O-CB 2.97Å; G285-T290 PolarHBondContact O-OG1 3.44Å
286	Y	94.2	Very high	93.4	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.039	13%	0.133	C	C	.	.			trans	-89.6	1.8	178.2	-79.3	-97.3	0	0	0	114.5	L235 L284 N404 L414 E415 W495 L499	L235-Y286 WeakPolarHBondContact CD1-O 3.43Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; Y286-N404 PolarHBondContact OH-ND2 2.89Å; Y286-L414 HydrophobicContact CD1-CD1 4.21Å; Y286-L414 HydrophobicContact CD1-CD2 4.21Å; Y286-L414 HydrophobicContact CE1-CD1 4.26Å; Y286-L414 HydrophobicContact CE1-CD2 3.48Å; Y286-L414 VanDerWaalsContact CE1-CD2 3.48Å; Y286-L414 HydrophobicContact CE1-CG 4.43Å; Y286-E415 HydrophobicContact CE2-CG 4.36Å; Y286-E415 VanDerWaalsContact CE2-OE1 3.28Å; Y286-E415 WeakPolarHBondContact CE2-OE1 3.37Å; Y286-W495 HydrophobicContact CD1-CH2 4.04Å; Y286-W495 AromaticContact CD1-CZ2 3.72Å; Y286-W495 HydrophobicContact CD1-CZ2 3.72Å; Y286-W495 HydrophobicContact CE1-CH2 4.33Å; Y286-W495 HydrophobicContact CE1-CZ2 4.45Å; Y286-W495 HydrophobicContact CG-CZ2 4.46Å; Y286-W495 PolarHBondContact O-NE1 3.09Å; Y286-L499 HydrophobicContact CD1-CD2 3.71Å; Y286-L499 HydrophobicContact CE1-CD2 4.31Å
287	G	96.5	Very high	93.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-64.2	159.9	176.9	0	0	0	0	0	113	G236 G237 N289 T290 A291	G236-G287 CarbonylContact O-C 3.53Å; G236-G287 WeakPolarHBondContact O-CA 3.34Å; G237-G287 CarbonylContact O-C 3.6Å; G287-N289 PolarHBondContact O-N 3.24Å; G287-N289 VanDerWaalsContact O-N 3.13Å; G287-T290 PolarHBondContact N-OG1 3.47Å; G287-T290 PolarHBondContact O-N 3.42Å; G287-T290 PolarHBondContact O-OG1 3.16Å; G287-A291 WeakPolarHBondContact O-CB 3.28Å; G287-A291 PolarHBondContact O-N 3.36Å
288	A	97	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.7	-170.1	0	0	0	0	0	114.9	G236 G237 E434 K492	G236-A288 PolarHBondContact O-N 3.01Å; G237-A288 PolarHBondContact O-N 3.12Å; A288-E434 HydrophobicContact CB-CB 4.06Å; A288-E434 HydrophobicContact CB-CG 3.49Å; A288-E434 VanDerWaalsContact CB-CG 3.49Å; A288-E434 VanDerWaalsContact CB-OE2 3.25Å; A288-E434 WeakPolarHBondContact CB-OE2 3.46Å; A288-K492 HydrophobicContact CB-CD 4.4Å; A288-K492 HydrophobicContact CB-CG 4.38Å
289	N	94.9	Very high	92.7	Very high	57 Å²	57	30.4 Å²	30.4	31%	0.305	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-43.4	179	-59.6	-21	0	0	0	111.1	S66 G237 G287 A291 V292 K492	S66-N289 PolarHBondContact OG-ND2 3.03Å; G237-N289 WeakPolarHBondContact O-CA 3.2Å; G237-N289 VanDerWaalsContact O-CB 3.3Å; G237-N289 WeakPolarHBondContact O-CB 3.35Å; G237-N289 PolarHBondContact O-N 3.15Å; G287-N289 PolarHBondContact O-N 3.24Å; G287-N289 VanDerWaalsContact O-N 3.13Å; N289-A291 PolarHBondContact O-N 2.88Å; N289-V292 WeakPolarHBondContact O-CB 3.47Å; N289-V292 PolarHBondContact O-N 3.16Å; N289-V292 VanDerWaalsContact O-N 3.08Å; N289-K492 WeakPolarHBondContact OD1-CE 3.24Å; N289-K492 PolarHBondContact OD1-NZ 2.52Å
290	T	93.8	Very high	92.4	Very high	20 Å²	20	30.4 Å²	30.4	12%	0.123	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-32.1	176.1	50.9	0	0	0	0	111.4	L152 G237 A238 G285 G287 V292 E293 L294	L152-T290 HydrophobicContact CD1-CG2 4.02Å; G237-T290 PolarHBondContact O-N 3.22Å; A238-T290 HydrophobicContact CB-CG2 3.77Å; G285-T290 WeakPolarHBondContact O-CB 2.97Å; G285-T290 PolarHBondContact O-OG1 3.44Å; G287-T290 PolarHBondContact N-OG1 3.47Å; G287-T290 PolarHBondContact O-N 3.42Å; G287-T290 PolarHBondContact O-OG1 3.16Å; T290-V292 VanDerWaalsContact C-N 3.27Å; T290-V292 PolarHBondContact O-N 3.37Å; T290-E293 WeakPolarHBondContact O-CB 3.47Å; T290-E293 PolarHBondContact O-N 2.84Å; T290-E293 VanDerWaalsContact O-N 3.16Å; T290-L294 PolarHBondContact O-N 3Å; T290-L294 VanDerWaalsContact O-N 3.16Å
291	A	94.9	Very high	91.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-29.8	174.2	0	0	0	0	0	113.8	G287 N289 E293 L294 Y295 F491 W495	G287-A291 WeakPolarHBondContact O-CB 3.28Å; G287-A291 PolarHBondContact O-N 3.36Å; N289-A291 PolarHBondContact O-N 2.88Å; A291-E293 VanDerWaalsContact C-N 3.27Å; A291-E293 PolarHBondContact O-N 3.05Å; A291-L294 PolarHBondContact O-N 3.33Å; A291-Y295 WeakPolarHBondContact O-CB 3.17Å; A291-Y295 PolarHBondContact O-N 2.79Å; A291-F491 HydrophobicContact CB-CE1 4Å; A291-F491 HydrophobicContact CB-CZ 3.85Å; A291-F491 VanDerWaalsContact O-CZ 3.29Å; A291-F491 WeakPolarHBondContact O-CZ 3.26Å; A291-W495 HydrophobicContact CB-CD2 3.56Å; A291-W495 HydrophobicContact CB-CE3 4.19Å; A291-W495 HydrophobicContact CB-CG 3.91Å; A291-W495 HydrophobicContact CB-CH2 4.19Å; A291-W495 HydrophobicContact CB-CZ2 3.55Å; A291-W495 HydrophobicContact CB-CZ3 4.48Å; A291-W495 VanDerWaalsContact CB-NE1 3.28Å
292	V	93.7	Very high	91.4	Very high	20 Å²	20	38.1 Å²	38.1	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-42.5	174.7	178.5	0	0	0	0	109.7	N289 T290 Y295 E296 F491	N289-V292 WeakPolarHBondContact O-CB 3.47Å; N289-V292 PolarHBondContact O-N 3.16Å; N289-V292 VanDerWaalsContact O-N 3.08Å; T290-V292 VanDerWaalsContact C-N 3.27Å; T290-V292 PolarHBondContact O-N 3.37Å; V292-Y295 PolarHBondContact O-N 2.88Å; V292-E296 HydrophobicContact CG1-CG 4.4Å; V292-E296 WeakPolarHBondContact CG1-OE1 3.41Å; V292-E296 WeakPolarHBondContact O-CB 3.22Å; V292-E296 VanDerWaalsContact O-CG 3.3Å; V292-E296 WeakPolarHBondContact O-CG 3.22Å; V292-E296 PolarHBondContact O-N 2.81Å; V292-F491 HydrophobicContact CB-CE1 4.21Å; V292-F491 HydrophobicContact CB-CZ 4.49Å; V292-F491 HydrophobicContact CG2-CD1 3.51Å; V292-F491 HydrophobicContact CG2-CE1 3.41Å; V292-F491 VanDerWaalsContact CG2-CE1 3.41Å; V292-F491 HydrophobicContact CG2-CG 4.31Å; V292-F491 HydrophobicContact CG2-CZ 4.14Å
293	E	88	Confident	90.8	Very high	124 Å²	124	37.9 Å²	37.9	58%	0.579	19%	0.19	S	C	*	.	H	α-helix	trans	-67.3	-40.8	177.8	-59.9	175	-171.8	0	0	111.5	T290 A291 Y295 E296 N297	T290-E293 WeakPolarHBondContact O-CB 3.47Å; T290-E293 PolarHBondContact O-N 2.84Å; T290-E293 VanDerWaalsContact O-N 3.16Å; A291-E293 VanDerWaalsContact C-N 3.27Å; A291-E293 PolarHBondContact O-N 3.05Å; E293-Y295 VanDerWaalsContact C-N 3.3Å; E293-Y295 PolarHBondContact O-N 3.39Å; E293-E296 PolarHBondContact O-N 3.1Å; E293-N297 WeakPolarHBondContact O-CB 3.38Å; E293-N297 VanDerWaalsContact O-CG 3.31Å; E293-N297 PolarHBondContact O-N 2.65Å; E293-N297 PolarHBondContact O-ND2 3.05Å; E293-N297 VanDerWaalsContact O-ND2 3.1Å
294	L	88.9	Confident	90.1	Very high	75 Å²	75	37.9 Å²	37.9	39%	0.393	19%	0.191	S	C	.	.	H	α-helix	trans	-58.8	-43.1	173.9	-67.1	176.4	0	0	0	111.6	T290 A291 W298	T290-L294 PolarHBondContact O-N 3Å; T290-L294 VanDerWaalsContact O-N 3.16Å; A291-L294 PolarHBondContact O-N 3.33Å; L294-W298 PolarHBondContact O-N 3.36Å
295	Y	93.5	Very high	89.2	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-70.3	-42.4	178.7	174.7	-113.8	0	0	0	113.2	A291 V292 E293 N297 W298 L299 D361 C363 L397 I400 F491	A291-Y295 WeakPolarHBondContact O-CB 3.17Å; A291-Y295 PolarHBondContact O-N 2.79Å; V292-Y295 PolarHBondContact O-N 2.88Å; E293-Y295 VanDerWaalsContact C-N 3.3Å; E293-Y295 PolarHBondContact O-N 3.39Å; Y295-N297 VanDerWaalsContact C-N 3.28Å; Y295-N297 PolarHBondContact O-N 2.79Å; Y295-W298 HydrophobicContact CD2-CE3 4.09Å; Y295-W298 AromaticContact CE2-CE3 3.89Å; Y295-W298 HydrophobicContact CE2-CE3 3.89Å; Y295-W298 HydrophobicContact CE2-CZ3 4.01Å; Y295-W298 WeakPolarHBondContact O-CB 3.41Å; Y295-W298 PolarHBondContact O-N 3.49Å; Y295-W298 VanDerWaalsContact O-N 3.15Å; Y295-L299 HydrophobicContact CD1-CD1 3.94Å; Y295-L299 HydrophobicContact CD1-CG 4.42Å; Y295-L299 HydrophobicContact CD2-CG 4.35Å; Y295-L299 HydrophobicContact CE1-CD1 3.31Å; Y295-L299 HydrophobicContact CE1-CG 3.92Å; Y295-L299 HydrophobicContact CE2-CD1 4.18Å; Y295-L299 HydrophobicContact CE2-CD2 4.18Å; Y295-L299 HydrophobicContact CE2-CG 3.84Å; Y295-L299 VanDerWaalsContact CZ-CD1 3.45Å; Y295-L299 PolarHBondContact O-N 2.78Å; Y295-D361 PolarHBondContact OH-OD1 3.33Å; Y295-D361 VanDerWaalsContact OH-OD1 3.11Å; Y295-C363 HydrophobicContact CE1-CB 3.74Å; Y295-C363 PolarHBondContact OH-SG 2.87Å; Y295-C363 VanDerWaalsContact OH-SG 3.41Å; Y295-L397 HydrophobicContact CD2-CD2 3.5Å; Y295-L397 HydrophobicContact CE2-CD2 4.11Å; Y295-L397 HydrophobicContact CG-CD2 3.94Å; Y295-I400 HydrophobicContact CD2-CD1 4.1Å; Y295-F491 VanDerWaalsContact CB-CE2 3.4Å; Y295-F491 AromaticContact CD1-CD2 3.77Å; Y295-F491 HydrophobicContact CD1-CD2 3.77Å; Y295-F491 AromaticContact CD1-CE2 3.67Å; Y295-F491 HydrophobicContact CD1-CE2 3.67Å; Y295-F491 HydrophobicContact CD2-CE2 4.4Å; Y295-F491 HydrophobicContact CE1-CD2 4.3Å; Y295-F491 HydrophobicContact CG-CD2 4.11Å; Y295-F491 AromaticContact CG-CE2 3.57Å; Y295-F491 HydrophobicContact CG-CE2 3.57Å
296	E	91.6	Very high	88.3	Confident	37 Å²	37	48 Å²	48	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-42.9	174.3	-75.8	175.4	-176.4	0	0	111	V292 E293 W298 L299 A300 M372 R384	V292-E296 HydrophobicContact CG1-CG 4.4Å; V292-E296 WeakPolarHBondContact CG1-OE1 3.41Å; V292-E296 WeakPolarHBondContact O-CB 3.22Å; V292-E296 VanDerWaalsContact O-CG 3.3Å; V292-E296 WeakPolarHBondContact O-CG 3.22Å; V292-E296 PolarHBondContact O-N 2.81Å; E293-E296 PolarHBondContact O-N 3.1Å; E296-W298 PolarHBondContact O-N 3.01Å; E296-L299 PolarHBondContact O-N 3.15Å; E296-A300 WeakPolarHBondContact O-CB 3.31Å; E296-A300 PolarHBondContact O-N 3.44Å; E296-M372 HydrophobicContact CB-SD 3.95Å; E296-M372 HydrophobicContact CG-SD 4.08Å; E296-R384 VanDerWaalsContact CD-NH1 3.33Å; E296-R384 VanDerWaalsContact CG-NH1 3.3Å; E296-R384 IonicContact OE1-CZ 2.63Å; E296-R384 IonicContact OE1-NH1 3.03Å; E296-R384 PolarHBondContact OE1-NH1 2.93Å
297	N	87	Confident	87.1	Confident	70 Å²	70	48.8 Å²	48.8	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-40.9	174.3	-76.1	-37	0	0	0	112.8	E293 Y295 K301 F374	E293-N297 WeakPolarHBondContact O-CB 3.38Å; E293-N297 VanDerWaalsContact O-CG 3.31Å; E293-N297 PolarHBondContact O-N 2.65Å; E293-N297 PolarHBondContact O-ND2 3.05Å; E293-N297 VanDerWaalsContact O-ND2 3.1Å; Y295-N297 VanDerWaalsContact C-N 3.28Å; Y295-N297 PolarHBondContact O-N 2.79Å; N297-K301 WeakPolarHBondContact O-CB 3.26Å; N297-K301 VanDerWaalsContact O-CG 3.3Å; N297-K301 WeakPolarHBondContact O-CG 3.16Å; N297-K301 PolarHBondContact O-N 3.23Å; N297-F374 HydrophobicContact CB-CE2 4.4Å
298	W	89	Confident	85.7	Confident	63 Å²	63	52.9 Å²	52.9	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-44.7	176.2	176.9	93.6	0	0	0	112	L294 Y295 E296 A300 K301 N302 S396 I400	L294-W298 PolarHBondContact O-N 3.36Å; Y295-W298 HydrophobicContact CD2-CE3 4.09Å; Y295-W298 AromaticContact CE2-CE3 3.89Å; Y295-W298 HydrophobicContact CE2-CE3 3.89Å; Y295-W298 HydrophobicContact CE2-CZ3 4.01Å; Y295-W298 WeakPolarHBondContact O-CB 3.41Å; Y295-W298 PolarHBondContact O-N 3.49Å; Y295-W298 VanDerWaalsContact O-N 3.15Å; E296-W298 PolarHBondContact O-N 3.01Å; W298-A300 PolarHBondContact O-N 3.09Å; W298-K301 PolarHBondContact O-N 2.92Å; W298-N302 VanDerWaalsContact CD2-ND2 3.29Å; W298-N302 WeakPolarHBondContact CH2-ND2 3.3Å; W298-N302 WeakPolarHBondContact CZ2-ND2 3.38Å; W298-N302 PolarHBondContact NE1-ND2 3.26Å; W298-N302 WeakPolarHBondContact O-CB 3.42Å; W298-N302 PolarHBondContact O-N 3.5Å; W298-S396 VanDerWaalsContact CH2-CB 3.49Å; W298-S396 WeakPolarHBondContact CH2-OG 3.32Å; W298-I400 HydrophobicContact CB-CD1 3.74Å; W298-I400 HydrophobicContact CB-CG1 4.24Å; W298-I400 HydrophobicContact CD2-CD1 3.95Å; W298-I400 HydrophobicContact CD2-CG1 4.19Å; W298-I400 HydrophobicContact CG-CD1 3.6Å; W298-I400 HydrophobicContact CG-CG1 3.74Å
299	L	90.2	Very high	83.9	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-50.5	176.4	-84.1	177.4	0	0	0	111.2	Y295 E296 N302 L303 M372	Y295-L299 HydrophobicContact CD1-CD1 3.94Å; Y295-L299 HydrophobicContact CD1-CG 4.42Å; Y295-L299 HydrophobicContact CD2-CG 4.35Å; Y295-L299 HydrophobicContact CE1-CD1 3.31Å; Y295-L299 HydrophobicContact CE1-CG 3.92Å; Y295-L299 HydrophobicContact CE2-CD1 4.18Å; Y295-L299 HydrophobicContact CE2-CD2 4.18Å; Y295-L299 HydrophobicContact CE2-CG 3.84Å; Y295-L299 VanDerWaalsContact CZ-CD1 3.45Å; Y295-L299 PolarHBondContact O-N 2.78Å; E296-L299 PolarHBondContact O-N 3.15Å; L299-N302 PolarHBondContact O-N 3.48Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 PolarHBondContact O-N 2.95Å; L299-M372 HydrophobicContact CB-CE 4.35Å
300	A	85.5	Confident	82.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-46.7	-179.8	0	0	0	0	0	111.8	E296 W298 N302 L303 L304 M372 F374 M382	E296-A300 WeakPolarHBondContact O-CB 3.31Å; E296-A300 PolarHBondContact O-N 3.44Å; W298-A300 PolarHBondContact O-N 3.09Å; A300-N302 PolarHBondContact O-N 2.93Å; A300-L303 PolarHBondContact O-N 3.27Å; A300-L304 WeakPolarHBondContact O-CB 3.43Å; A300-L304 VanDerWaalsContact O-CD1 3.28Å; A300-L304 WeakPolarHBondContact O-CD1 3.3Å; A300-L304 WeakPolarHBondContact O-CG 3.28Å; A300-L304 PolarHBondContact O-N 2.79Å; A300-M372 HydrophobicContact CB-CE 4.39Å; A300-F374 HydrophobicContact CB-CB 3.95Å; A300-F374 HydrophobicContact CB-CD1 4.12Å; A300-F374 HydrophobicContact CB-CD2 3.19Å; A300-F374 HydrophobicContact CB-CE1 4.48Å; A300-F374 HydrophobicContact CB-CE2 3.62Å; A300-F374 HydrophobicContact CB-CG 3.46Å; A300-F374 VanDerWaalsContact CB-CG 3.46Å; A300-F374 HydrophobicContact CB-CZ 4.25Å; A300-M382 HydrophobicContact CB-CE 3.77Å; A300-M382 HydrophobicContact CB-SD 3.99Å
301	K	83.2	Confident	80.2	Confident	125 Å²	125	57.1 Å²	57.1	54%	0.543	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-43.5	177.5	-75.7	177.7	-179.3	-179	0	112.4	N297 W298 L304 K305 F374	N297-K301 WeakPolarHBondContact O-CB 3.26Å; N297-K301 VanDerWaalsContact O-CG 3.3Å; N297-K301 WeakPolarHBondContact O-CG 3.16Å; N297-K301 PolarHBondContact O-N 3.23Å; W298-K301 PolarHBondContact O-N 2.92Å; K301-L304 PolarHBondContact O-N 3.47Å; K301-K305 WeakPolarHBondContact O-CB 3.47Å; K301-K305 PolarHBondContact O-N 3.12Å; K301-F374 HydrophobicContact CG-CE2 4.2Å; K301-F374 HydrophobicContact CG-CZ 3.86Å
302	N	84.4	Confident	78.2	Confident	57 Å²	57	60.2 Å²	60.2	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-67.7	-41.1	179.5	-79.6	-22.4	0	0	0	112.8	W298 L299 A300 K305 N306	W298-N302 VanDerWaalsContact CD2-ND2 3.29Å; W298-N302 WeakPolarHBondContact CH2-ND2 3.3Å; W298-N302 WeakPolarHBondContact CZ2-ND2 3.38Å; W298-N302 PolarHBondContact NE1-ND2 3.26Å; W298-N302 WeakPolarHBondContact O-CB 3.42Å; W298-N302 PolarHBondContact O-N 3.5Å; L299-N302 PolarHBondContact O-N 3.48Å; A300-N302 PolarHBondContact O-N 2.93Å; N302-K305 PolarHBondContact O-N 2.82Å; N302-N306 PolarHBondContact O-N 3.27Å
303	L	81.7	Confident	76.2	Confident	30 Å²	30	67.7 Å²	67.7	16%	0.157	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-46.2	175.4	-179	63.9	0	0	0	111.6	L299 A300 K305 N306 L307 L357 V359 M382	L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 PolarHBondContact O-N 2.95Å; A300-L303 PolarHBondContact O-N 3.27Å; L303-K305 VanDerWaalsContact C-N 3.35Å; L303-K305 PolarHBondContact O-N 3.41Å; L303-N306 PolarHBondContact O-N 2.86Å; L303-L307 HydrophobicContact CD1-CD1 4.21Å; L303-L307 HydrophobicContact CG-CD1 4.07Å; L303-L307 WeakPolarHBondContact O-CG 3.13Å; L303-L307 PolarHBondContact O-N 2.9Å; L303-L357 HydrophobicContact CD2-CD2 3.28Å; L303-L357 HydrophobicContact CD2-CG 3.68Å; L303-L357 HydrophobicContact CG-CD2 3.79Å; L303-L357 HydrophobicContact CG-CG 4.44Å; L303-V359 HydrophobicContact CD1-CG2 4.36Å; L303-V359 HydrophobicContact CD2-CB 3.73Å; L303-V359 HydrophobicContact CD2-CG2 3.95Å; L303-M382 HydrophobicContact CD2-CE 4.31Å; L303-M382 HydrophobicContact CD2-SD 3.94Å
304	L	77.2	Confident	74.5	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-34.3	-179.2	-66.9	163.4	0	0	0	112.5	A300 K301 L307 S308 C309 Y318 F374 L380 M382	A300-L304 WeakPolarHBondContact O-CB 3.43Å; A300-L304 VanDerWaalsContact O-CD1 3.28Å; A300-L304 WeakPolarHBondContact O-CD1 3.3Å; A300-L304 WeakPolarHBondContact O-CG 3.28Å; A300-L304 PolarHBondContact O-N 2.79Å; K301-L304 PolarHBondContact O-N 3.47Å; L304-L307 PolarHBondContact O-N 3.48Å; L304-S308 PolarHBondContact O-N 3.42Å; L304-C309 HydrophobicContact CD2-CB 4.11Å; L304-C309 WeakPolarHBondContact CD2-SG 3.47Å; L304-C309 PolarHBondContact O-N 3.22Å; L304-Y318 HydrophobicContact CB-CD1 4.49Å; L304-Y318 HydrophobicContact CB-CD2 4.5Å; L304-Y318 HydrophobicContact CB-CE1 3.92Å; L304-Y318 HydrophobicContact CB-CE2 3.97Å; L304-Y318 HydrophobicContact CD1-CD2 3.43Å; L304-Y318 VanDerWaalsContact CD1-CD2 3.43Å; L304-Y318 HydrophobicContact CD1-CE2 3.16Å; L304-Y318 HydrophobicContact CD1-CG 4.25Å; L304-Y318 HydrophobicContact CD2-CD1 4.47Å; L304-Y318 HydrophobicContact CD2-CD2 4.15Å; L304-Y318 HydrophobicContact CD2-CE2 4.41Å; L304-Y318 HydrophobicContact CD2-CG 4.15Å; L304-Y318 HydrophobicContact CG-CD2 4.21Å; L304-Y318 HydrophobicContact CG-CE2 4Å; L304-F374 HydrophobicContact CD1-CD1 3.83Å; L304-F374 HydrophobicContact CD1-CE1 3.76Å; L304-L380 HydrophobicContact CD1-CD2 3.91Å; L304-L380 HydrophobicContact CD2-CD2 3.81Å; L304-L380 HydrophobicContact CG-CD2 4.4Å; L304-M382 HydrophobicContact CD1-CE 3.88Å; L304-M382 HydrophobicContact CD2-CE 4.31Å; L304-M382 HydrophobicContact CG-CE 4.09Å
305	K	76.2	Confident	72.7	Confident	163 Å²	163	70.4 Å²	70.4	71%	0.709	35%	0.353	S	S	*	.	H	α-helix	trans	-62	-44.4	170.6	-174.7	-179.9	178.6	-177.4	0	111.5	K301 N302 L303 L307 S308	K301-K305 WeakPolarHBondContact O-CB 3.47Å; K301-K305 PolarHBondContact O-N 3.12Å; N302-K305 PolarHBondContact O-N 2.82Å; L303-K305 VanDerWaalsContact C-N 3.35Å; L303-K305 PolarHBondContact O-N 3.41Å; K305-L307 VanDerWaalsContact C-N 3.34Å; K305-S308 PolarHBondContact O-N 2.99Å
306	N	72.2	Confident	70.6	Confident	137 Å²	137	73.9 Å²	73.9	73%	0.733	37%	0.372	S	S	*	.	H	α-helix	trans	-68.8	-31.8	178.4	-72.3	-13.3	0	0	0	112.9	N302 L303 S308	N302-N306 PolarHBondContact O-N 3.27Å; L303-N306 PolarHBondContact O-N 2.86Å; N306-S308 VanDerWaalsContact C-N 3.27Å; N306-S308 PolarHBondContact O-N 2.89Å
307	L	70.4	Confident	68.6	Low	27 Å²	27	73 Å²	73	14%	0.141	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.3	176.8	-72.3	170.3	0	0	0	114.2	L303 L304 K305 C309 A322 L323 L357	L303-L307 HydrophobicContact CD1-CD1 4.21Å; L303-L307 HydrophobicContact CG-CD1 4.07Å; L303-L307 WeakPolarHBondContact O-CG 3.13Å; L303-L307 PolarHBondContact O-N 2.9Å; L304-L307 PolarHBondContact O-N 3.48Å; K305-L307 VanDerWaalsContact C-N 3.34Å; L307-C309 WeakPolarHBondContact CB-SG 3.41Å; L307-C309 PolarHBondContact O-N 2.72Å; L307-A322 PolarHBondContact O-N 3.41Å; L307-L323 HydrophobicContact CD2-CD2 4.04Å; L307-L357 HydrophobicContact CD1-CD1 3.91Å; L307-L357 HydrophobicContact CD1-CD2 3.57Å; L307-L357 HydrophobicContact CD1-CG 4.38Å
308	S	66	Low	67.2	Low	87 Å²	87	72.2 Å²	72.2	61%	0.608	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	42	-177.5	-52.7	0	0	0	0	113	L304 K305 N306	L304-S308 PolarHBondContact O-N 3.42Å; K305-S308 PolarHBondContact O-N 2.99Å; N306-S308 VanDerWaalsContact C-N 3.27Å; N306-S308 PolarHBondContact O-N 2.89Å
309	C	59.9	Low	65.4	Low	15 Å²	15	72.6 Å²	72.6	10%	0.101	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-76	135.6	-178	-53.6	0	0	0	0	112	L304 L307 Y318 M320 C321	L304-C309 HydrophobicContact CD2-CB 4.11Å; L304-C309 WeakPolarHBondContact CD2-SG 3.47Å; L304-C309 PolarHBondContact O-N 3.22Å; L307-C309 WeakPolarHBondContact CB-SG 3.41Å; L307-C309 PolarHBondContact O-N 2.72Å; C309-Y318 HydrophobicContact CB-CD1 3.24Å; C309-Y318 HydrophobicContact CB-CE1 3.78Å; C309-Y318 HydrophobicContact CB-CG 4Å; C309-Y318 WeakPolarHBondContact O-CD1 3.27Å; C309-Y318 WeakPolarHBondContact O-CE1 3.23Å; C309-M320 WeakPolarHBondContact CA-O 3.12Å; C309-C321 HydrophobicContact CB-CB 3.99Å; C309-C321 WeakPolarHBondContact CB-SG 3.4Å; C309-C321 WeakPolarHBondContact SG-CA 3.33Å; C309-C321 WeakPolarHBondContact SG-CB 3.42Å; C309-C321 CovalentContact SG-SG 2.03Å; C309-C321 PolarHBondContact SG-SG 2.93Å
310	V	56.7	Low	63.6	Low	68 Å²	68	75.6 Å²	75.6	41%	0.412	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.6	177.9	-177.5	0	0	0	0	110.3	Y318 S319 M320	V310-Y318 CarbonylContact O-C 3.56Å; V310-Y318 WeakPolarHBondContact O-CA 3.12Å; V310-S319 PolarHBondContact O-N 3Å; V310-M320 PolarHBondContact N-O 3.49Å
311	M	54.3	Low	62	Low	82 Å²	82	77.7 Å²	77.7	40%	0.404	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.4	170.4	-77.3	-69	-80.6	0	0	111.1	Y318	M311-Y318 HydrophobicContact CE-CE2 4.42Å; M311-Y318 HydrophobicContact CG-CD1 3.8Å; M311-Y318 HydrophobicContact CG-CE1 3.4Å; M311-Y318 VanDerWaalsContact CG-CE1 3.4Å; M311-Y318 HydrophobicContact CG-CE2 4.17Å; M311-Y318 HydrophobicContact CG-CG 4.4Å; M311-Y318 HydrophobicContact SD-CD1 3.63Å; M311-Y318 HydrophobicContact SD-CD2 3.35Å; M311-Y318 WeakPolarHBondContact SD-CD2 3.37Å; M311-Y318 HydrophobicContact SD-CE1 3.48Å; M311-Y318 WeakPolarHBondContact SD-CE1 3.3Å; M311-Y318 HydrophobicContact SD-CE2 3.13Å; M311-Y318 WeakPolarHBondContact SD-CE2 3.36Å; M311-Y318 HydrophobicContact SD-CG 3.62Å
312	N	52.7	Low	60.4	Low	66 Å²	66	73.6 Å²	73.6	35%	0.353	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.7	162.4	-175.5	-16.1	0	0	0	108.9	K314 S315 N316 A317	N312-K314 PolarHBondContact O-N 2.92Å; N312-K314 PolarHBondContact OD1-N 2.88Å; N312-K314 VanDerWaalsContact OD1-N 3.09Å; N312-S315 PolarHBondContact O-N 2.68Å; N312-N316 PolarHBondContact O-N 3.25Å; N312-A317 VanDerWaalsContact CB-O 3.3Å; N312-A317 WeakPolarHBondContact CB-O 3.47Å; N312-A317 PolarHBondContact N-O 3.01Å; N312-A317 PolarHBondContact O-N 3.19Å
313	E	51.3	Low	58.6	Low	178 Å²	178	75.8 Å²	75.8	83%	0.832	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27	-178.3	-65.9	-176.9	169.4	0	0	113.5
314	K	52.5	Low	56.6	Low	206 Å²	206	84.5 Å²	84.5	90%	0.896	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.3	-179.5	-69	-173.8	178.8	-179.4	0	113.4	N312	N312-K314 PolarHBondContact O-N 2.92Å; N312-K314 PolarHBondContact OD1-N 2.88Å; N312-K314 VanDerWaalsContact OD1-N 3.09Å
315	S	51.8	Low	54.7	Low	49 Å²	49	87.4 Å²	87.4	34%	0.343	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	1.1	-175.4	67.3	0	0	0	0	113.8	N312 A317	N312-S315 PolarHBondContact O-N 2.68Å; S315-A317 PolarHBondContact O-N 2.94Å; S315-A317 VanDerWaalsContact O-N 3.07Å; S315-A317 WeakPolarHBondContact OG-CB 3.19Å; S315-A317 PolarHBondContact OG-N 2.87Å
316	N	48.6	Very low	52.9	Low	78 Å²	78	84.9 Å²	84.9	42%	0.417	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	35.3	-169.3	-76	-12.8	0	0	0	113.2	N312 D376	N312-N316 PolarHBondContact O-N 3.25Å; N316-D376 PolarHBondContact ND2-OD2 3.43Å
317	A	50.7	Low	51.1	Low	19 Å²	19	84 Å²	84	16%	0.157	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.6	-176.3	0	0	0	0	0	110.2	N312 S315 S319	N312-A317 VanDerWaalsContact CB-O 3.3Å; N312-A317 WeakPolarHBondContact CB-O 3.47Å; N312-A317 PolarHBondContact N-O 3.01Å; N312-A317 PolarHBondContact O-N 3.19Å; S315-A317 PolarHBondContact O-N 2.94Å; S315-A317 VanDerWaalsContact O-N 3.07Å; S315-A317 WeakPolarHBondContact OG-CB 3.19Å; S315-A317 PolarHBondContact OG-N 2.87Å; A317-S319 PolarHBondContact O-N 3.5Å
318	Y	56.5	Low	49.6	Very low	52 Å²	52	85.1 Å²	85.1	20%	0.204	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	114.3	169.4	-73	-87.2	0	0	0	108.6	L304 C309 V310 M311 F374	L304-Y318 HydrophobicContact CB-CD1 4.49Å; L304-Y318 HydrophobicContact CB-CD2 4.5Å; L304-Y318 HydrophobicContact CB-CE1 3.92Å; L304-Y318 HydrophobicContact CB-CE2 3.97Å; L304-Y318 HydrophobicContact CD1-CD2 3.43Å; L304-Y318 VanDerWaalsContact CD1-CD2 3.43Å; L304-Y318 HydrophobicContact CD1-CE2 3.16Å; L304-Y318 HydrophobicContact CD1-CG 4.25Å; L304-Y318 HydrophobicContact CD2-CD1 4.47Å; L304-Y318 HydrophobicContact CD2-CD2 4.15Å; L304-Y318 HydrophobicContact CD2-CE2 4.41Å; L304-Y318 HydrophobicContact CD2-CG 4.15Å; L304-Y318 HydrophobicContact CG-CD2 4.21Å; L304-Y318 HydrophobicContact CG-CE2 4Å; C309-Y318 HydrophobicContact CB-CD1 3.24Å; C309-Y318 HydrophobicContact CB-CE1 3.78Å; C309-Y318 HydrophobicContact CB-CG 4Å; C309-Y318 WeakPolarHBondContact O-CD1 3.27Å; C309-Y318 WeakPolarHBondContact O-CE1 3.23Å; V310-Y318 CarbonylContact O-C 3.56Å; V310-Y318 WeakPolarHBondContact O-CA 3.12Å; M311-Y318 HydrophobicContact CE-CE2 4.42Å; M311-Y318 HydrophobicContact CG-CD1 3.8Å; M311-Y318 HydrophobicContact CG-CE1 3.4Å; M311-Y318 VanDerWaalsContact CG-CE1 3.4Å; M311-Y318 HydrophobicContact CG-CE2 4.17Å; M311-Y318 HydrophobicContact CG-CG 4.4Å; M311-Y318 HydrophobicContact SD-CD1 3.63Å; M311-Y318 HydrophobicContact SD-CD2 3.35Å; M311-Y318 WeakPolarHBondContact SD-CD2 3.37Å; M311-Y318 HydrophobicContact SD-CE1 3.48Å; M311-Y318 WeakPolarHBondContact SD-CE1 3.3Å; M311-Y318 HydrophobicContact SD-CE2 3.13Å; M311-Y318 WeakPolarHBondContact SD-CE2 3.36Å; M311-Y318 HydrophobicContact SD-CG 3.62Å; Y318-F374 HydrophobicContact CD2-CE1 4.39Å; Y318-F374 AromaticContact CE2-CE1 3.92Å; Y318-F374 HydrophobicContact CE2-CE1 3.92Å
319	S	51.6	Low	48.4	Very low	71 Å²	71	90.1 Å²	90.1	50%	0.497	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-29.1	-174.1	75.4	0	0	0	0	112.9	V310 A317	V310-S319 PolarHBondContact O-N 3Å; A317-S319 PolarHBondContact O-N 3.5Å
320	M	52.4	Low	47.4	Very low	77 Å²	77	92.4 Å²	92.4	38%	0.379	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	120.4	179.8	-69.3	-171.7	-67.8	0	0	110	C309 V310 L337	C309-M320 WeakPolarHBondContact CA-O 3.12Å; V310-M320 PolarHBondContact N-O 3.49Å; M320-L337 HydrophobicContact CE-CD1 3.38Å; M320-L337 HydrophobicContact CE-CD2 3.42Å; M320-L337 VanDerWaalsContact CE-CD2 3.42Å; M320-L337 HydrophobicContact CE-CG 4.02Å; M320-L337 HydrophobicContact SD-CD2 3.51Å; M320-L337 VanDerWaalsContact SD-CD2 3.51Å
321	C	52.5	Low	46.9	Very low	44 Å²	44	95.2 Å²	95.2	30%	0.297	53%	0.525	S	S	.	.			trans	-91.1	128.7	167.4	-72.6	0	0	0	0	108.7	C309 L323	C309-C321 HydrophobicContact CB-CB 3.99Å; C309-C321 WeakPolarHBondContact CB-SG 3.4Å; C309-C321 WeakPolarHBondContact SG-CA 3.33Å; C309-C321 WeakPolarHBondContact SG-CB 3.42Å; C309-C321 CovalentContact SG-SG 2.03Å; C309-C321 PolarHBondContact SG-SG 2.93Å; C321-L323 PolarHBondContact O-N 3.18Å
322	A	49.5	Very low	46.5	Very low	38 Å²	38	95.7 Å²	95.7	31%	0.314	53%	0.53	S	S	.	.			trans	-71.5	74.6	168.8	0	0	0	0	0	108.5	L307 Y324 F333	L307-A322 PolarHBondContact O-N 3.41Å; A322-Y324 VanDerWaalsContact C-N 3.31Å; A322-Y324 PolarHBondContact O-N 2.83Å; A322-F333 HydrophobicContact CB-CE2 4.48Å; A322-F333 HydrophobicContact CB-CZ 4.21Å
323	L	45.9	Very low	46.3	Very low	104 Å²	104	96.8 Å²	96.8	55%	0.545	53%	0.531	S	S	.	.			trans	-66.3	97.7	165.9	-77.5	165.8	0	0	0	106.3	L307 C321 A325	L307-L323 HydrophobicContact CD2-CD2 4.04Å; C321-L323 PolarHBondContact O-N 3.18Å; L323-A325 PolarHBondContact O-N 2.92Å
324	Y	40.2	Very low	46.1	Very low	212 Å²	212	96.1 Å²	96.1	83%	0.831	53%	0.526	S	S	*	.			trans	21.5	74.5	166.3	-83.7	-91.2	0	0	0	113.8	A322 P326	A322-Y324 VanDerWaalsContact C-N 3.31Å; A322-Y324 PolarHBondContact O-N 2.83Å; Y324-P326 WeakPolarHBondContact O-CD 3.49Å
325	A	36.2	Very low	45.8	Very low	62 Å²	62	92.2 Å²	92.2	51%	0.512	51%	0.509	S	S	.	.			trans	-88.4	93.4	154	0	0	0	0	0	105.5	L323 C327 V328	L323-A325 PolarHBondContact O-N 2.92Å; A325-C327 PolarHBondContact O-N 2.92Å; A325-V328 HydrophobicContact CB-CG2 4.38Å; A325-V328 PolarHBondContact O-N 3.42Å
326	P	38.7	Very low	45.7	Very low	111 Å²	111	92.4 Å²	92.4	72%	0.721	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-4.5	171.7	23.4	-32.2	0	0	0	112.8	Y324	Y324-P326 WeakPolarHBondContact O-CD 3.49Å
327	C	34.5	Very low	45.6	Very low	119 Å²	119	91.3 Å²	91.3	80%	0.804	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	6	-179.6	-56	0	0	0	0	115.5	A325	A325-C327 PolarHBondContact O-N 2.92Å
328	V	39.1	Very low	45.3	Very low	49 Å²	49	94.2 Å²	94.2	30%	0.297	51%	0.514	S	S	.	.			trans	-124.4	64	174.8	-164.6	0	0	0	0	111.5	A325 S330 F333 V336	A325-V328 HydrophobicContact CB-CG2 4.38Å; A325-V328 PolarHBondContact O-N 3.42Å; V328-S330 PolarHBondContact O-N 3.24Å; V328-F333 HydrophobicContact CG1-CD2 4.28Å; V328-V336 HydrophobicContact CG1-CG2 3.89Å; V328-V336 HydrophobicContact CG2-CG1 4.5Å
329	Q	40.1	Very low	44.6	Very low	193 Å²	193	95.8 Å²	95.8	90%	0.902	53%	0.526	S	S	*	.			trans	-78.3	77	155.1	-73	-174.9	-16.2	0	0	108.6
330	S	40.4	Very low	44.3	Very low	63 Å²	63	94.7 Å²	94.7	44%	0.441	52%	0.517	S	S	.	.	S	Bend	trans	-150.3	144.7	161.6	82.6	0	0	0	0	111.3	V328 N332	V328-S330 PolarHBondContact O-N 3.24Å; S330-N332 PolarHBondContact O-N 2.7Å
331	S	45.9	Very low	43.9	Very low	127 Å²	127	100.2 Å²	100.2	89%	0.888	53%	0.534	S	S	*	.	S	Bend	trans	-63.9	15.4	175.7	43.4	0	0	0	0	114.4
332	N	44.9	Very low	43.6	Very low	92 Å²	92	107.5 Å²	107.5	49%	0.492	56%	0.556	S	S	.	*			trans	-127.7	42	-174.2	-93.9	-27.5	0	0	0	112.7	S330 F334 F335 V336	S330-N332 PolarHBondContact O-N 2.7Å; N332-F334 PolarHBondContact O-N 3.29Å; N332-F335 HydrophobicContact CB-CB 3.9Å; N332-F335 WeakPolarHBondContact O-CA 3.42Å; N332-F335 VanDerWaalsContact O-CB 3.29Å; N332-F335 WeakPolarHBondContact O-CB 3.31Å; N332-F335 PolarHBondContact O-N 3.17Å; N332-V336 PolarHBondContact O-N 2.86Å; N332-V336 VanDerWaalsContact O-N 3.1Å
333	F	49.7	Very low	43.5	Very low	88 Å²	88	109.8 Å²	109.8	39%	0.386	57%	0.57	S	S	.	*	H	α-helix	trans	-54.8	-36.1	178.8	-160	-96.4	0	0	0	113.4	A322 V328 F335 V336 L337	A322-F333 HydrophobicContact CB-CE2 4.48Å; A322-F333 HydrophobicContact CB-CZ 4.21Å; V328-F333 HydrophobicContact CG1-CD2 4.28Å; F333-F335 VanDerWaalsContact C-N 3.33Å; F333-F335 PolarHBondContact O-N 3.48Å; F333-V336 PolarHBondContact O-N 2.81Å; F333-L337 HydrophobicContact CD1-CD1 4.16Å; F333-L337 HydrophobicContact CE1-CD1 4.25Å; F333-L337 PolarHBondContact O-N 2.98Å
334	F	46.9	Very low	43.3	Very low	165 Å²	165	110.9 Å²	110.9	72%	0.724	58%	0.576	S	S	*	*	H	α-helix	trans	-65.4	-34.7	173.6	-122.5	-89.3	0	0	0	112.6	N332 L337 I338	N332-F334 PolarHBondContact O-N 3.29Å; F334-L337 PolarHBondContact O-N 2.86Å; F334-I338 WeakPolarHBondContact O-CG1 3.44Å; F334-I338 PolarHBondContact O-N 3Å
335	F	45.5	Very low	43.2	Very low	123 Å²	123	104.6 Å²	104.6	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-72.7	-36.3	178.7	-127.3	-84.1	0	0	0	111.7	N332 F333 L337 I338 L339	N332-F335 HydrophobicContact CB-CB 3.9Å; N332-F335 WeakPolarHBondContact O-CA 3.42Å; N332-F335 VanDerWaalsContact O-CB 3.29Å; N332-F335 WeakPolarHBondContact O-CB 3.31Å; N332-F335 PolarHBondContact O-N 3.17Å; F333-F335 VanDerWaalsContact C-N 3.33Å; F333-F335 PolarHBondContact O-N 3.48Å; F335-L337 VanDerWaalsContact C-N 3.28Å; F335-L337 PolarHBondContact O-N 2.97Å; F335-I338 PolarHBondContact O-N 2.99Å; F335-L339 HydrophobicContact CD1-CD1 4.04Å; F335-L339 HydrophobicContact CD1-CG 4.25Å; F335-L339 WeakPolarHBondContact O-CB 3.35Å; F335-L339 VanDerWaalsContact O-CG 3.29Å; F335-L339 WeakPolarHBondContact O-CG 3.41Å; F335-L339 PolarHBondContact O-N 3.21Å
336	V	49.8	Very low	43.5	Very low	53 Å²	53	104 Å²	104	32%	0.321	57%	0.567	S	S	.	*	H	α-helix	trans	-62	-37.4	173.8	177.6	0	0	0	0	111.2	V328 N332 F333 L339 C340	V328-V336 HydrophobicContact CG1-CG2 3.89Å; V328-V336 HydrophobicContact CG2-CG1 4.5Å; N332-V336 PolarHBondContact O-N 2.86Å; N332-V336 VanDerWaalsContact O-N 3.1Å; F333-V336 PolarHBondContact O-N 2.81Å; V336-L339 PolarHBondContact O-N 3.3Å; V336-C340 WeakPolarHBondContact O-CB 3.46Å; V336-C340 PolarHBondContact O-N 3.37Å
337	L	46.2	Very low	43.4	Very low	56 Å²	56	102.5 Å²	102.5	29%	0.293	56%	0.557	S	S	.	*	H	α-helix	trans	-69.9	-40.2	176.6	-72.7	163.3	0	0	0	113.2	M320 F333 F334 F335 C340 R341	M320-L337 HydrophobicContact CE-CD1 3.38Å; M320-L337 HydrophobicContact CE-CD2 3.42Å; M320-L337 VanDerWaalsContact CE-CD2 3.42Å; M320-L337 HydrophobicContact CE-CG 4.02Å; M320-L337 HydrophobicContact SD-CD2 3.51Å; M320-L337 VanDerWaalsContact SD-CD2 3.51Å; F333-L337 HydrophobicContact CD1-CD1 4.16Å; F333-L337 HydrophobicContact CE1-CD1 4.25Å; F333-L337 PolarHBondContact O-N 2.98Å; F334-L337 PolarHBondContact O-N 2.86Å; F335-L337 VanDerWaalsContact C-N 3.28Å; F335-L337 PolarHBondContact O-N 2.97Å; L337-C340 PolarHBondContact O-N 3.22Å; L337-R341 PolarHBondContact O-N 3.19Å; L337-R341 VanDerWaalsContact O-N 3.08Å
338	I	45	Very low	43.7	Very low	79 Å²	79	103.8 Å²	103.8	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-64.8	-45.4	174.2	-67.2	170.9	0	0	0	109.2	F334 F335 C340 R341 Y342	F334-I338 WeakPolarHBondContact O-CG1 3.44Å; F334-I338 PolarHBondContact O-N 3Å; F335-I338 PolarHBondContact O-N 2.99Å; I338-C340 VanDerWaalsContact C-N 3.34Å; I338-C340 PolarHBondContact O-N 2.9Å; I338-R341 PolarHBondContact O-N 3.49Å; I338-R341 VanDerWaalsContact O-N 3.11Å; I338-Y342 HydrophobicContact CG2-CD2 3.67Å; I338-Y342 HydrophobicContact CG2-CE2 4.02Å; I338-Y342 VanDerWaalsContact O-CD2 3.24Å; I338-Y342 WeakPolarHBondContact O-CD2 3.39Å; I338-Y342 PolarHBondContact O-N 3.24Å
339	L	42	Very low	43.7	Very low	86 Å²	86	105.6 Å²	105.6	45%	0.45	57%	0.571	S	S	.	*	H	α-helix	trans	-65.4	-33.1	176	-69.7	170.6	0	0	0	112.9	F335 V336 R341 Y342 S343 L344	F335-L339 HydrophobicContact CD1-CD1 4.04Å; F335-L339 HydrophobicContact CD1-CG 4.25Å; F335-L339 WeakPolarHBondContact O-CB 3.35Å; F335-L339 VanDerWaalsContact O-CG 3.29Å; F335-L339 WeakPolarHBondContact O-CG 3.41Å; F335-L339 PolarHBondContact O-N 3.21Å; V336-L339 PolarHBondContact O-N 3.3Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 3.1Å; L339-Y342 PolarHBondContact O-N 2.92Å; L339-S343 WeakPolarHBondContact O-CA 3.35Å; L339-S343 WeakPolarHBondContact O-CB 3.33Å; L339-S343 PolarHBondContact O-N 2.87Å; L339-L344 PolarHBondContact O-N 3.12Å
340	C	45.1	Very low	43.5	Very low	47 Å²	47	104.2 Å²	104.2	32%	0.318	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-33.5	170.9	-99.1	0	0	0	0	112.9	V336 L337 I338	V336-C340 WeakPolarHBondContact O-CB 3.46Å; V336-C340 PolarHBondContact O-N 3.37Å; L337-C340 PolarHBondContact O-N 3.22Å; I338-C340 VanDerWaalsContact C-N 3.34Å; I338-C340 PolarHBondContact O-N 2.9Å
341	R	43.1	Very low	43.5	Very low	193 Å²	193	106.8 Å²	106.8	73%	0.728	57%	0.566	S	S	*	*	H	α-helix	trans	-74.4	-38.1	173.1	-92.6	-174.5	-170.1	-123	0.2	112.9	L337 I338 L339	L337-R341 PolarHBondContact O-N 3.19Å; L337-R341 VanDerWaalsContact O-N 3.08Å; I338-R341 PolarHBondContact O-N 3.49Å; I338-R341 VanDerWaalsContact O-N 3.11Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 3.1Å
342	Y	46.7	Very low	43.1	Very low	197 Å²	197	109.5 Å²	109.5	77%	0.773	56%	0.558	S	S	*	*	H	α-helix	trans	-100.3	-25.3	-167.4	-77.9	-75.3	0	0	0	114.9	I338 L339	I338-Y342 HydrophobicContact CG2-CD2 3.67Å; I338-Y342 HydrophobicContact CG2-CE2 4.02Å; I338-Y342 VanDerWaalsContact O-CD2 3.24Å; I338-Y342 WeakPolarHBondContact O-CD2 3.39Å; I338-Y342 PolarHBondContact O-N 3.24Å; L339-Y342 PolarHBondContact O-N 2.92Å
343	S	48.3	Very low	42.9	Very low	87 Å²	87	110.1 Å²	110.1	61%	0.608	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-19	-163.3	-144.6	0	0	0	0	116	L339	L339-S343 WeakPolarHBondContact O-CA 3.35Å; L339-S343 WeakPolarHBondContact O-CB 3.33Å; L339-S343 PolarHBondContact O-N 2.87Å
344	L	40.3	Very low	42.9	Very low	127 Å²	127	110.5 Å²	110.5	67%	0.665	57%	0.571	S	S	*	*	S	Bend	trans	-137.5	99.2	176.9	-67.7	170.5	0	0	0	106.7	L339 C346	L339-L344 PolarHBondContact O-N 3.12Å; L344-C346 PolarHBondContact O-N 3.44Å
345	G	39.8	Very low	43.6	Very low	79 Å²	79	106.2 Å²	106.2	81%	0.814	56%	0.561	S	S	*	*			trans	-53.8	84.1	-177.2	0	0	0	0	0	112.7	P347	G345-P347 VanDerWaalsContact O-CD 3.29Å; G345-P347 WeakPolarHBondContact O-CD 3.32Å
346	C	40.7	Very low	44.8	Very low	49 Å²	49	103 Å²	103	33%	0.331	55%	0.552	S	S	.	*			trans	-61.2	116.7	161.9	-74.9	0	0	0	0	105	L344 F350	L344-C346 PolarHBondContact O-N 3.44Å; C346-F350 HydrophobicContact CB-CB 4.23Å; C346-F350 HydrophobicContact CB-CD2 4.42Å; C346-F350 HydrophobicContact CB-CG 4.42Å
347	P	38.3	Very low	46.2	Very low	80 Å²	80	102 Å²	102	52%	0.519	54%	0.544	S	S	.	.			trans	-55.3	147.2	176.7	20.9	-29.8	0	0	0	108.6	G345 S349 F350	G345-P347 VanDerWaalsContact O-CD 3.29Å; G345-P347 WeakPolarHBondContact O-CD 3.32Å; P347-S349 WeakPolarHBondContact CB-OG 3.26Å; P347-S349 WeakPolarHBondContact CG-OG 3.42Å; P347-S349 PolarHBondContact O-N 3.49Å; P347-F350 PolarHBondContact O-N 3.07Å
348	D	40.2	Very low	48	Very low	146 Å²	146	105.5 Å²	105.5	78%	0.781	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-49.7	-18	178.4	-74.6	-43.4	0	0	0	113	F350 F351	D348-F350 PolarHBondContact O-N 3.44Å; D348-F351 WeakPolarHBondContact O-CB 3.3Å; D348-F351 PolarHBondContact O-N 3.27Å; D348-F351 VanDerWaalsContact O-N 3.1Å
349	S	39.4	Very low	50.1	Low	88 Å²	88	102.4 Å²	102.4	62%	0.615	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-65.4	-6.8	170.1	63	0	0	0	0	116.2	P347 F351	P347-S349 WeakPolarHBondContact CB-OG 3.26Å; P347-S349 WeakPolarHBondContact CG-OG 3.42Å; P347-S349 PolarHBondContact O-N 3.49Å; S349-F351 VanDerWaalsContact C-N 3.28Å
350	F	35.7	Very low	52.6	Low	164 Å²	164	102.2 Å²	102.2	72%	0.719	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-77	-19.4	168	-120.4	-91	0	0	0	112	C346 P347 D348	C346-F350 HydrophobicContact CB-CB 4.23Å; C346-F350 HydrophobicContact CB-CD2 4.42Å; C346-F350 HydrophobicContact CB-CG 4.42Å; P347-F350 PolarHBondContact O-N 3.07Å; D348-F350 PolarHBondContact O-N 3.44Å
351	F	39.2	Very low	55	Low	117 Å²	117	100 Å²	100	51%	0.513	54%	0.535	S	S	.	.	S	Bend	trans	-83.4	118.5	165.1	-73	-89.6	0	0	0	108.1	D348 S349	D348-F351 WeakPolarHBondContact O-CB 3.3Å; D348-F351 PolarHBondContact O-N 3.27Å; D348-F351 VanDerWaalsContact O-N 3.1Å; S349-F351 VanDerWaalsContact C-N 3.28Å
352	Y	37.4	Very low	57.6	Low	184 Å²	184	91.7 Å²	91.7	72%	0.722	51%	0.506	S	S	*	.			trans	74.3	54.6	169.4	-52.4	-79.2	0	0	0	118.2	F354	Y352-F354 AromaticContact CD1-CD2 3.88Å; Y352-F354 HydrophobicContact CD1-CD2 3.88Å; Y352-F354 AromaticContact CD1-CE2 3.39Å; Y352-F354 HydrophobicContact CD1-CE2 3.39Å; Y352-F354 HydrophobicContact CD1-CZ 4.25Å; Y352-F354 AromaticContact CE1-CE2 3.73Å; Y352-F354 HydrophobicContact CE1-CE2 3.73Å; Y352-F354 HydrophobicContact CE1-CZ 4.32Å
353	S	41.1	Very low	60	Low	104 Å²	104	82.3 Å²	82.3	73%	0.727	47%	0.469	S	S	*	.			trans	-98.7	86.6	139.6	-169	0	0	0	0	107.3	S355	S353-S355 PolarHBondContact O-N 2.99Å
354	F	50.8	Low	62.4	Low	97 Å²	97	78.3 Å²	78.3	43%	0.425	44%	0.441	S	S	.	.			trans	-66.5	80.9	164.1	-81.1	-72.1	0	0	0	107	Y352 T356 I379 L380	Y352-F354 AromaticContact CD1-CD2 3.88Å; Y352-F354 HydrophobicContact CD1-CD2 3.88Å; Y352-F354 AromaticContact CD1-CE2 3.39Å; Y352-F354 HydrophobicContact CD1-CE2 3.39Å; Y352-F354 HydrophobicContact CD1-CZ 4.25Å; Y352-F354 AromaticContact CE1-CE2 3.73Å; Y352-F354 HydrophobicContact CE1-CE2 3.73Å; Y352-F354 HydrophobicContact CE1-CZ 4.32Å; F354-T356 PolarHBondContact O-N 3.26Å; F354-I379 HydrophobicContact CD2-CG2 4.41Å; F354-I379 HydrophobicContact CE1-CG2 3.93Å; F354-I379 HydrophobicContact CE2-CG2 3.45Å; F354-I379 VanDerWaalsContact CE2-CG2 3.45Å; F354-I379 HydrophobicContact CZ-CG2 3.2Å; F354-L380 HydrophobicContact CD1-CD1 4.08Å; F354-L380 HydrophobicContact CE1-CD1 4.13Å
355	S	60.9	Low	65.1	Low	74 Å²	74	72.3 Å²	72.3	52%	0.517	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-57.1	125.2	161.8	48.7	0	0	0	0	106.6	S353 L357	S353-S355 PolarHBondContact O-N 2.99Å; S355-L357 PolarHBondContact O-N 3.3Å; S355-L357 VanDerWaalsContact O-N 3.09Å
356	T	71.8	Confident	67.9	Low	55 Å²	55	74.7 Å²	74.7	34%	0.337	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59.4	118.7	176.5	-53	0	0	0	0	108.1	F354 D381 I383	F354-T356 PolarHBondContact O-N 3.26Å; T356-D381 HydrophobicContact CG2-CB 4.36Å; T356-I383 HydrophobicContact CG2-CB 4.23Å; T356-I383 HydrophobicContact CG2-CD1 3.41Å; T356-I383 VanDerWaalsContact CG2-CD1 3.41Å; T356-I383 HydrophobicContact CG2-CG1 3.45Å; T356-I383 VanDerWaalsContact CG2-CG1 3.45Å
357	L	78.8	Confident	70.5	Confident	32 Å²	32	74.7 Å²	74.7	17%	0.168	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.7	-174.7	-179	62.4	0	0	0	109.8	L303 L307 S355 D381 M382 I383	L303-L357 HydrophobicContact CD2-CD2 3.28Å; L303-L357 HydrophobicContact CD2-CG 3.68Å; L303-L357 HydrophobicContact CG-CD2 3.79Å; L303-L357 HydrophobicContact CG-CG 4.44Å; L307-L357 HydrophobicContact CD1-CD1 3.91Å; L307-L357 HydrophobicContact CD1-CD2 3.57Å; L307-L357 HydrophobicContact CD1-CG 4.38Å; S355-L357 PolarHBondContact O-N 3.3Å; S355-L357 VanDerWaalsContact O-N 3.09Å; L357-D381 PolarHBondContact N-O 2.91Å; L357-M382 HydrophobicContact CB-CG 4.26Å; L357-M382 HydrophobicContact CD2-CE 4.19Å; L357-M382 CarbonylContact O-C 3.58Å; L357-M382 WeakPolarHBondContact O-CA 3.31Å; L357-M382 WeakPolarHBondContact O-CB 3.48Å; L357-I383 PolarHBondContact O-N 3.01Å
358	E	84	Confident	73.4	Confident	131 Å²	131	71.3 Å²	71.3	61%	0.612	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	135.5	178.5	-167.6	173.3	175	0	0	111.2	I383 S385	E358-I383 CarbonylContact C-O 3.58Å; E358-I383 WeakPolarHBondContact CA-O 3.21Å; E358-S385 VanDerWaalsContact OE1-CB 3.27Å; E358-S385 WeakPolarHBondContact OE1-CB 3.21Å; E358-S385 PolarHBondContact OE1-OG 3.08Å
359	V	89.5	Confident	76	Confident	14 Å²	14	68.5 Å²	68.5	9%	0.085	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.9	177.1	64.8	0	0	0	0	110.7	L303 M372 I383 R384 S385	L303-V359 HydrophobicContact CD1-CG2 4.36Å; L303-V359 HydrophobicContact CD2-CB 3.73Å; L303-V359 HydrophobicContact CD2-CG2 3.95Å; V359-M372 HydrophobicContact CG1-CE 3.67Å; V359-I383 PolarHBondContact N-O 2.95Å; V359-R384 HydrophobicContact CG1-CB 4.3Å; V359-R384 HydrophobicContact CG1-CG 3.75Å; V359-R384 CarbonylContact O-C 3.45Å; V359-R384 WeakPolarHBondContact O-CA 3.49Å; V359-S385 PolarHBondContact O-N 2.87Å
360	S	92.9	Very high	78.6	Confident	82 Å²	82	67.4 Å²	67.4	57%	0.573	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.8	173.1	-177.9	0	0	0	0	110.3	S387	S360-S387 PolarHBondContact OG-OG 3.4Å
361	D	96.4	Very high	81.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	105.8	-175.4	-173	-25.2	0	0	0	111.7	Y295 C363 L364 R384 S385 G386 S387	Y295-D361 PolarHBondContact OH-OD1 3.33Å; Y295-D361 VanDerWaalsContact OH-OD1 3.11Å; D361-C363 PolarHBondContact O-N 2.83Å; D361-C363 VanDerWaalsContact OD1-CA 3.3Å; D361-C363 WeakPolarHBondContact OD1-CA 3.37Å; D361-C363 VanDerWaalsContact OD1-CB 3.29Å; D361-C363 WeakPolarHBondContact OD1-CB 3.45Å; D361-C363 PolarHBondContact OD1-N 3.13Å; D361-L364 HydrophobicContact CB-CB 4.39Å; D361-L364 HydrophobicContact CB-CD1 4.08Å; D361-L364 HydrophobicContact CB-CG 4.27Å; D361-L364 PolarHBondContact O-N 3.45Å; D361-L364 PolarHBondContact OD1-N 2.79Å; D361-L364 WeakPolarHBondContact OD2-CD1 3.34Å; D361-L364 WeakPolarHBondContact OD2-CG 3.34Å; D361-R384 HydrophobicContact CB-CB 4.16Å; D361-R384 IonicContact OD2-CZ 3.91Å; D361-R384 IonicContact OD2-NE 3.74Å; D361-R384 PolarHBondContact OD2-NE 3.02Å; D361-R384 IonicContact OD2-NH2 3.67Å; D361-R384 PolarHBondContact OD2-NH2 2.89Å; D361-S385 PolarHBondContact N-O 3.36Å; D361-G386 WeakPolarHBondContact O-CA 3.26Å; D361-S387 VanDerWaalsContact C-OG 3.24Å; D361-S387 PolarHBondContact O-N 3.08Å; D361-S387 PolarHBondContact O-OG 3.46Å
362	C	97.2	Very high	83.6	Confident	18 Å²	18	62.7 Å²	62.7	12%	0.122	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.3	177.9	-76.6	0	0	0	0	114.1	L364 S387 C389 T392 C393	C362-L364 VanDerWaalsContact C-N 3.32Å; C362-S387 WeakPolarHBondContact CA-OG 3.41Å; C362-S387 PolarHBondContact N-OG 3.26Å; C362-C389 WeakPolarHBondContact CA-SG 3.17Å; C362-C389 HydrophobicContact CB-CB 3.88Å; C362-C389 WeakPolarHBondContact CB-O 3.33Å; C362-C389 WeakPolarHBondContact CB-SG 3.21Å; C362-C389 PolarHBondContact O-N 3.47Å; C362-C389 WeakPolarHBondContact SG-CB 3.3Å; C362-C389 CovalentContact SG-SG 2.04Å; C362-C389 PolarHBondContact SG-SG 3.46Å; C362-T392 HydrophobicContact CB-CG2 4.39Å; C362-T392 WeakPolarHBondContact SG-CB 3.2Å; C362-T392 VanDerWaalsContact SG-CG2 3.54Å; C362-C393 HydrophobicContact CB-CB 3.98Å
363	C	98	Very high	85.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.7	-178.5	-62.6	0	0	0	0	113.3	Y295 D361 C393 C490 F491	Y295-C363 HydrophobicContact CE1-CB 3.74Å; Y295-C363 PolarHBondContact OH-SG 2.87Å; Y295-C363 VanDerWaalsContact OH-SG 3.41Å; D361-C363 PolarHBondContact O-N 2.83Å; D361-C363 VanDerWaalsContact OD1-CA 3.3Å; D361-C363 WeakPolarHBondContact OD1-CA 3.37Å; D361-C363 VanDerWaalsContact OD1-CB 3.29Å; D361-C363 WeakPolarHBondContact OD1-CB 3.45Å; D361-C363 PolarHBondContact OD1-N 3.13Å; C363-C393 WeakPolarHBondContact CA-SG 3.33Å; C363-C393 HydrophobicContact CB-CB 3.96Å; C363-C393 WeakPolarHBondContact CB-SG 3.29Å; C363-C393 VanDerWaalsContact SG-CA 3.55Å; C363-C393 WeakPolarHBondContact SG-CB 3.35Å; C363-C393 CovalentContact SG-SG 2.02Å; C363-C393 PolarHBondContact SG-SG 2.9Å; C363-C490 WeakPolarHBondContact O-CB 3.13Å; C363-F491 HydrophobicContact CB-CB 4.04Å; C363-F491 HydrophobicContact CB-CD2 3.95Å; C363-F491 PolarHBondContact O-N 2.71Å; C363-F491 VanDerWaalsContact O-N 3.13Å
364	L	97.8	Very high	87.1	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-110	145.3	171.7	-67.8	176.8	0	0	0	111	D361 C362 L368 K370 R384 G388	D361-L364 HydrophobicContact CB-CB 4.39Å; D361-L364 HydrophobicContact CB-CD1 4.08Å; D361-L364 HydrophobicContact CB-CG 4.27Å; D361-L364 PolarHBondContact O-N 3.45Å; D361-L364 PolarHBondContact OD1-N 2.79Å; D361-L364 WeakPolarHBondContact OD2-CD1 3.34Å; D361-L364 WeakPolarHBondContact OD2-CG 3.34Å; C362-L364 VanDerWaalsContact C-N 3.32Å; L364-L368 HydrophobicContact CD2-CD2 4.23Å; L364-K370 HydrophobicContact CD1-CB 4.25Å; L364-K370 HydrophobicContact CD1-CD 4.44Å; L364-K370 HydrophobicContact CD1-CG 4.25Å; L364-K370 HydrophobicContact CD2-CD 4.05Å; L364-R384 HydrophobicContact CD1-CB 3.87Å; L364-G388 WeakPolarHBondContact O-CA 3.48Å; L364-G388 PolarHBondContact O-N 3.1Å
365	P	97.9	Very high	87.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.			trans	-56.4	152	172.9	-24	32.6	0	0	0	113.4	G367 L368 G386 I469	P365-G367 PolarHBondContact O-N 3.42Å; P365-L368 HydrophobicContact CB-CB 4.49Å; P365-L368 HydrophobicContact CG-CD2 4.46Å; P365-L368 WeakPolarHBondContact O-CB 3.29Å; P365-L368 PolarHBondContact O-N 2.93Å; P365-G386 WeakPolarHBondContact O-CA 3.39Å; P365-I469 HydrophobicContact CB-CD1 3.51Å; P365-I469 HydrophobicContact CG-CD1 3.91Å
366	R	98	Very high	87.7	Confident	129 Å²	129	54.2 Å²	54.2	49%	0.487	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-57.2	125.4	-176.1	-72.1	178.4	69.2	166.6	-0.4	112.3	L368 G386 S387 N463 L464 N465 W466	R366-L368 PolarHBondContact O-N 3.34Å; R366-G386 WeakPolarHBondContact CA-O 3.45Å; R366-S387 VanDerWaalsContact CG-O 3.25Å; R366-S387 WeakPolarHBondContact CG-O 3.15Å; R366-N463 VanDerWaalsContact CD-O 3.27Å; R366-N463 WeakPolarHBondContact CD-O 3.43Å; R366-L464 PolarHBondContact N-O 2.99Å; R366-N465 CarbonylContact O-C 3.6Å; R366-N465 WeakPolarHBondContact O-CA 3.41Å; R366-W466 PolarHBondContact O-N 3.42Å
367	G	96.2	Very high	87	Confident	50 Å²	50	55 Å²	55	52%	0.515	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	0.7	177.9	0	0	0	0	0	115.1	P365 G386	P365-G367 PolarHBondContact O-N 3.42Å; G367-G386 PolarHBondContact N-O 3.41Å
368	L	97.6	Very high	86.3	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.047	31%	0.31	C	S	.	.			trans	-75.4	123.9	165	177.9	61	0	0	0	108.5	L364 P365 R366 G386 W466 R487	L364-L368 HydrophobicContact CD2-CD2 4.23Å; P365-L368 HydrophobicContact CB-CB 4.49Å; P365-L368 HydrophobicContact CG-CD2 4.46Å; P365-L368 WeakPolarHBondContact O-CB 3.29Å; P365-L368 PolarHBondContact O-N 2.93Å; R366-L368 PolarHBondContact O-N 3.34Å; L368-G386 PolarHBondContact O-N 2.83Å; L368-W466 HydrophobicContact CB-CB 3.98Å; L368-W466 HydrophobicContact CB-CD2 4.15Å; L368-W466 HydrophobicContact CB-CE3 4.38Å; L368-W466 HydrophobicContact CB-CG 3.94Å; L368-W466 HydrophobicContact CD1-CD2 3.85Å; L368-W466 HydrophobicContact CD1-CE3 4.36Å; L368-W466 HydrophobicContact CD1-CG 4.06Å; L368-W466 HydrophobicContact CD1-CZ2 4.34Å; L368-W466 HydrophobicContact CD2-CE3 4.22Å; L368-W466 HydrophobicContact CD2-CZ3 4.45Å; L368-W466 HydrophobicContact CG-CD2 4.38Å; L368-R487 HydrophobicContact CD2-CB 4.18Å; L368-R487 HydrophobicContact CD2-CG 4.04Å
369	T	95.8	Very high	85.1	Confident	86 Å²	86	57.3 Å²	57.3	53%	0.528	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.2	171.6	57.2	0	0	0	0	110.7	I383 R384	T369-I383 HydrophobicContact CG2-CG2 4.32Å; T369-R384 CarbonylContact C-O 3.58Å; T369-R384 VanDerWaalsContact CA-O 3.25Å; T369-R384 WeakPolarHBondContact CA-O 3.29Å
370	K	94.5	Very high	84	Confident	65 Å²	65	57.8 Å²	57.8	28%	0.283	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.9	171.9	-71.8	-166.3	75.7	-161.2	0	110	L364 R384	L364-K370 HydrophobicContact CD1-CB 4.25Å; L364-K370 HydrophobicContact CD1-CD 4.44Å; L364-K370 HydrophobicContact CD1-CG 4.25Å; L364-K370 HydrophobicContact CD2-CD 4.05Å; K370-R384 PolarHBondContact N-O 3.01Å; K370-R384 PolarHBondContact O-N 3.29Å
371	R	90.8	Very high	83.2	Confident	175 Å²	175	56.6 Å²	56.6	66%	0.66	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.8	167.8	-68.5	-179.9	174.9	-113	-1.6	109.3	M382 I383	R371-M382 WeakPolarHBondContact CA-O 3.3Å; R371-I383 HydrophobicContact CG-CG1 4.28Å
372	M	87.4	Confident	82.6	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.9	167.2	69.7	170.5	171.1	0	0	109.6	E296 L299 A300 V359 M382 R384	E296-M372 HydrophobicContact CB-SD 3.95Å; E296-M372 HydrophobicContact CG-SD 4.08Å; L299-M372 HydrophobicContact CB-CE 4.35Å; A300-M372 HydrophobicContact CB-CE 4.39Å; V359-M372 HydrophobicContact CG1-CE 3.67Å; M372-M382 HydrophobicContact CE-CB 3.82Å; M372-M382 HydrophobicContact CE-CG 4.2Å; M372-M382 HydrophobicContact CE-SD 3.33Å; M372-M382 WeakPolarHBondContact CE-SD 3.41Å; M372-M382 HydrophobicContact CG-CB 3.79Å; M372-M382 PolarHBondContact N-O 3.45Å; M372-M382 PolarHBondContact O-N 3.44Å; M372-R384 HydrophobicContact CE-CG 3.76Å; M372-R384 HydrophobicContact CG-CG 3.99Å; M372-R384 WeakPolarHBondContact SD-CD 3.22Å; M372-R384 HydrophobicContact SD-CG 3.74Å
373	Q	79.6	Confident	82.2	Confident	104 Å²	104	57.9 Å²	57.9	49%	0.486	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.2	177.7	-67.6	-174.6	-33.6	0	0	108.8	K378 D381	Q373-K378 HydrophobicContact CB-CB 4.01Å; Q373-K378 HydrophobicContact CB-CG 4.32Å; Q373-D381 WeakPolarHBondContact CG-OD1 3.25Å; Q373-D381 PolarHBondContact NE2-OD1 3.3Å; Q373-D381 VanDerWaalsContact NE2-OD1 3.15Å
374	F	73.9	Confident	82.1	Confident	23 Å²	23	58 Å²	58	10%	0.101	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.3	-177.3	-176.6	-98.1	0	0	0	112.6	N297 A300 K301 L304 Y318 L380 M382	N297-F374 HydrophobicContact CB-CE2 4.4Å; A300-F374 HydrophobicContact CB-CB 3.95Å; A300-F374 HydrophobicContact CB-CD1 4.12Å; A300-F374 HydrophobicContact CB-CD2 3.19Å; A300-F374 HydrophobicContact CB-CE1 4.48Å; A300-F374 HydrophobicContact CB-CE2 3.62Å; A300-F374 HydrophobicContact CB-CG 3.46Å; A300-F374 VanDerWaalsContact CB-CG 3.46Å; A300-F374 HydrophobicContact CB-CZ 4.25Å; K301-F374 HydrophobicContact CG-CE2 4.2Å; K301-F374 HydrophobicContact CG-CZ 3.86Å; L304-F374 HydrophobicContact CD1-CD1 3.83Å; L304-F374 HydrophobicContact CD1-CE1 3.76Å; Y318-F374 HydrophobicContact CD2-CE1 4.39Å; Y318-F374 AromaticContact CE2-CE1 3.92Å; Y318-F374 HydrophobicContact CE2-CE1 3.92Å; F374-L380 HydrophobicContact CB-CB 4.5Å; F374-L380 PolarHBondContact N-O 3.16Å; F374-L380 VanDerWaalsContact N-O 3.07Å; F374-M382 HydrophobicContact CB-CE 4.36Å
375	G	64.4	Low	82	Confident	26 Å²	26	58.8 Å²	58.8	27%	0.268	30%	0.301	S	S	.	.	S	Bend	trans	92	160.6	-179.8	0	0	0	0	0	113.9	T377 K378	G375-T377 PolarHBondContact O-N 3.16Å; G375-K378 WeakPolarHBondContact O-CA 3.49Å; G375-K378 PolarHBondContact O-N 2.88Å
376	D	60.4	Low	82	Confident	128 Å²	128	59.2 Å²	59.2	68%	0.684	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.1	-178.7	-63.8	-33.4	0	0	0	112.3	N316 K378	N316-D376 PolarHBondContact ND2-OD2 3.43Å; D376-K378 VanDerWaalsContact C-N 3.34Å
377	T	55.9	Low	81.9	Confident	71 Å²	71	54.8 Å²	54.8	44%	0.436	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.8	177.7	55.9	0	0	0	0	113.2	G375 I379	G375-T377 PolarHBondContact O-N 3.16Å; T377-I379 HydrophobicContact CG2-CD1 4.18Å; T377-I379 PolarHBondContact O-N 3.35Å; T377-I379 VanDerWaalsContact O-N 3.1Å; T377-I379 WeakPolarHBondContact OG1-CD1 3.16Å; T377-I379 VanDerWaalsContact OG1-CG1 3.3Å; T377-I379 WeakPolarHBondContact OG1-CG1 3.42Å
378	K	64.7	Low	82	Confident	132 Å²	132	52.4 Å²	52.4	57%	0.574	27%	0.27	S	S	*	.			trans	53.5	25.2	-176.4	-61.3	-176.3	179.9	-176.6	0	114.3	Q373 G375 D376 L380	Q373-K378 HydrophobicContact CB-CB 4.01Å; Q373-K378 HydrophobicContact CB-CG 4.32Å; G375-K378 WeakPolarHBondContact O-CA 3.49Å; G375-K378 PolarHBondContact O-N 2.88Å; D376-K378 VanDerWaalsContact C-N 3.34Å; K378-L380 VanDerWaalsContact C-N 3.34Å; K378-L380 PolarHBondContact O-N 3.2Å
379	I	57.6	Low	82	Confident	81 Å²	81	53.8 Å²	53.8	42%	0.415	28%	0.28	S	S	.	.			trans	-71.7	-30.3	-174.1	-70.7	171.2	0	0	0	111.7	F354 T377 D381	F354-I379 HydrophobicContact CD2-CG2 4.41Å; F354-I379 HydrophobicContact CE1-CG2 3.93Å; F354-I379 HydrophobicContact CE2-CG2 3.45Å; F354-I379 VanDerWaalsContact CE2-CG2 3.45Å; F354-I379 HydrophobicContact CZ-CG2 3.2Å; T377-I379 HydrophobicContact CG2-CD1 4.18Å; T377-I379 PolarHBondContact O-N 3.35Å; T377-I379 VanDerWaalsContact O-N 3.1Å; T377-I379 WeakPolarHBondContact OG1-CD1 3.16Å; T377-I379 VanDerWaalsContact OG1-CG1 3.3Å; T377-I379 WeakPolarHBondContact OG1-CG1 3.42Å; I379-D381 PolarHBondContact O-N 3.14Å
380	L	66.7	Low	82.1	Confident	24 Å²	24	49.9 Å²	49.9	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	101.2	-176.1	-168	63.6	0	0	0	110.8	L304 F354 F374 K378 M382	L304-L380 HydrophobicContact CD1-CD2 3.91Å; L304-L380 HydrophobicContact CD2-CD2 3.81Å; L304-L380 HydrophobicContact CG-CD2 4.4Å; F354-L380 HydrophobicContact CD1-CD1 4.08Å; F354-L380 HydrophobicContact CE1-CD1 4.13Å; F374-L380 HydrophobicContact CB-CB 4.5Å; F374-L380 PolarHBondContact N-O 3.16Å; F374-L380 VanDerWaalsContact N-O 3.07Å; K378-L380 VanDerWaalsContact C-N 3.34Å; K378-L380 PolarHBondContact O-N 3.2Å; L380-M382 HydrophobicContact CD2-CE 3.24Å; L380-M382 HydrophobicContact CG-CE 3.88Å; L380-M382 HydrophobicContact CG-CG 4.31Å
381	D	75.7	Confident	82.3	Confident	57 Å²	57	51.6 Å²	51.6	31%	0.305	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.5	171.6	-83.2	-25.2	0	0	0	110.4	T356 L357 Q373 I379	T356-D381 HydrophobicContact CG2-CB 4.36Å; L357-D381 PolarHBondContact N-O 2.91Å; Q373-D381 WeakPolarHBondContact CG-OD1 3.25Å; Q373-D381 PolarHBondContact NE2-OD1 3.3Å; Q373-D381 VanDerWaalsContact NE2-OD1 3.15Å; I379-D381 PolarHBondContact O-N 3.14Å
382	M	84.4	Confident	82.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.7	174.3	-55.5	-171.9	-178.8	0	0	111.3	A300 L303 L304 L357 R371 M372 F374 L380	A300-M382 HydrophobicContact CB-CE 3.77Å; A300-M382 HydrophobicContact CB-SD 3.99Å; L303-M382 HydrophobicContact CD2-CE 4.31Å; L303-M382 HydrophobicContact CD2-SD 3.94Å; L304-M382 HydrophobicContact CD1-CE 3.88Å; L304-M382 HydrophobicContact CD2-CE 4.31Å; L304-M382 HydrophobicContact CG-CE 4.09Å; L357-M382 HydrophobicContact CB-CG 4.26Å; L357-M382 HydrophobicContact CD2-CE 4.19Å; L357-M382 CarbonylContact O-C 3.58Å; L357-M382 WeakPolarHBondContact O-CA 3.31Å; L357-M382 WeakPolarHBondContact O-CB 3.48Å; R371-M382 WeakPolarHBondContact CA-O 3.3Å; M372-M382 HydrophobicContact CE-CB 3.82Å; M372-M382 HydrophobicContact CE-CG 4.2Å; M372-M382 HydrophobicContact CE-SD 3.33Å; M372-M382 WeakPolarHBondContact CE-SD 3.41Å; M372-M382 HydrophobicContact CG-CB 3.79Å; M372-M382 PolarHBondContact N-O 3.45Å; M372-M382 PolarHBondContact O-N 3.44Å; F374-M382 HydrophobicContact CB-CE 4.36Å; L380-M382 HydrophobicContact CD2-CE 3.24Å; L380-M382 HydrophobicContact CG-CE 3.88Å; L380-M382 HydrophobicContact CG-CG 4.31Å
383	I	89.9	Confident	83.1	Confident	44 Å²	44	46.5 Å²	46.5	23%	0.226	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	169.5	-71.2	159.1	0	0	0	108.5	T356 L357 E358 V359 T369 R371	T356-I383 HydrophobicContact CG2-CB 4.23Å; T356-I383 HydrophobicContact CG2-CD1 3.41Å; T356-I383 VanDerWaalsContact CG2-CD1 3.41Å; T356-I383 HydrophobicContact CG2-CG1 3.45Å; T356-I383 VanDerWaalsContact CG2-CG1 3.45Å; L357-I383 PolarHBondContact O-N 3.01Å; E358-I383 CarbonylContact C-O 3.58Å; E358-I383 WeakPolarHBondContact CA-O 3.21Å; V359-I383 PolarHBondContact N-O 2.95Å; T369-I383 HydrophobicContact CG2-CG2 4.32Å; R371-I383 HydrophobicContact CG-CG1 4.28Å
384	R	94.1	Very high	84	Confident	3 Å²	3	43 Å²	43	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.1	169.4	-64.7	161.7	61.2	-167.8	8.4	108.7	E296 V359 D361 L364 T369 K370 M372	E296-R384 VanDerWaalsContact CD-NH1 3.33Å; E296-R384 VanDerWaalsContact CG-NH1 3.3Å; E296-R384 IonicContact OE1-CZ 2.63Å; E296-R384 IonicContact OE1-NH1 3.03Å; E296-R384 PolarHBondContact OE1-NH1 2.93Å; V359-R384 HydrophobicContact CG1-CB 4.3Å; V359-R384 HydrophobicContact CG1-CG 3.75Å; V359-R384 CarbonylContact O-C 3.45Å; V359-R384 WeakPolarHBondContact O-CA 3.49Å; D361-R384 HydrophobicContact CB-CB 4.16Å; D361-R384 IonicContact OD2-CZ 3.91Å; D361-R384 IonicContact OD2-NE 3.74Å; D361-R384 PolarHBondContact OD2-NE 3.02Å; D361-R384 IonicContact OD2-NH2 3.67Å; D361-R384 PolarHBondContact OD2-NH2 2.89Å; L364-R384 HydrophobicContact CD1-CB 3.87Å; T369-R384 CarbonylContact C-O 3.58Å; T369-R384 VanDerWaalsContact CA-O 3.25Å; T369-R384 WeakPolarHBondContact CA-O 3.29Å; K370-R384 PolarHBondContact N-O 3.01Å; K370-R384 PolarHBondContact O-N 3.29Å; M372-R384 HydrophobicContact CE-CG 3.76Å; M372-R384 HydrophobicContact CG-CG 3.99Å; M372-R384 WeakPolarHBondContact SD-CD 3.22Å; M372-R384 HydrophobicContact SD-CG 3.74Å
385	S	95.8	Very high	85.1	Confident	19 Å²	19	48.1 Å²	48.1	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.9	179.3	-71.2	0	0	0	0	110.2	E358 V359 D361 S387	E358-S385 VanDerWaalsContact OE1-CB 3.27Å; E358-S385 WeakPolarHBondContact OE1-CB 3.21Å; E358-S385 PolarHBondContact OE1-OG 3.08Å; V359-S385 PolarHBondContact O-N 2.87Å; D361-S385 PolarHBondContact N-O 3.36Å; S385-S387 PolarHBondContact O-N 3.32Å
386	G	97.9	Very high	86.6	Confident	10 Å²	10	47.7 Å²	47.7	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129	-174.8	0	0	0	0	0	113.5	D361 P365 R366 G367 L368	D361-G386 WeakPolarHBondContact O-CA 3.26Å; P365-G386 WeakPolarHBondContact O-CA 3.39Å; R366-G386 WeakPolarHBondContact CA-O 3.45Å; G367-G386 PolarHBondContact N-O 3.41Å; L368-G386 PolarHBondContact O-N 2.83Å
387	S	97.6	Very high	88.3	Confident	35 Å²	35	41.6 Å²	41.6	25%	0.245	22%	0.218	C	C	.	.			trans	-112.6	-9.9	178.7	49.4	0	0	0	0	113.5	S360 D361 C362 R366 S385 C389	S360-S387 PolarHBondContact OG-OG 3.4Å; D361-S387 VanDerWaalsContact C-OG 3.24Å; D361-S387 PolarHBondContact O-N 3.08Å; D361-S387 PolarHBondContact O-OG 3.46Å; C362-S387 WeakPolarHBondContact CA-OG 3.41Å; C362-S387 PolarHBondContact N-OG 3.26Å; R366-S387 VanDerWaalsContact CG-O 3.25Å; R366-S387 WeakPolarHBondContact CG-O 3.15Å; S385-S387 PolarHBondContact O-N 3.32Å; S387-C389 PolarHBondContact O-N 3.16Å; S387-C389 PolarHBondContact OG-SG 2.78Å
388	G	97.6	Very high	90.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.			trans	71.1	7.6	171.1	0	0	0	0	0	116.4	L364 Y390 C462 N463	L364-G388 WeakPolarHBondContact O-CA 3.48Å; L364-G388 PolarHBondContact O-N 3.1Å; G388-Y390 VanDerWaalsContact C-N 3.34Å; G388-Y390 PolarHBondContact O-N 3.24Å; G388-C462 WeakPolarHBondContact CA-O 3.48Å; G388-C462 CarbonylContact O-C 3.59Å; G388-C462 WeakPolarHBondContact O-CB 3.36Å; G388-N463 PolarHBondContact O-OD1 3.02Å
389	C	97.3	Very high	91.4	Very high	38 Å²	38	36.2 Å²	36.2	26%	0.257	19%	0.191	S	C	.	.			trans	-74.7	76.7	-178.5	24.9	0	0	0	0	112.8	C362 S387 H391 T392 C393	C362-C389 WeakPolarHBondContact CA-SG 3.17Å; C362-C389 HydrophobicContact CB-CB 3.88Å; C362-C389 WeakPolarHBondContact CB-O 3.33Å; C362-C389 WeakPolarHBondContact CB-SG 3.21Å; C362-C389 PolarHBondContact O-N 3.47Å; C362-C389 WeakPolarHBondContact SG-CB 3.3Å; C362-C389 CovalentContact SG-SG 2.04Å; C362-C389 PolarHBondContact SG-SG 3.46Å; S387-C389 PolarHBondContact O-N 3.16Å; S387-C389 PolarHBondContact OG-SG 2.78Å; C389-H391 PolarHBondContact O-N 3.29Å; C389-T392 PolarHBondContact O-N 3.48Å; C389-T392 VanDerWaalsContact O-N 3.11Å; C389-C393 PolarHBondContact O-N 3.47Å
390	Y	98.4	Very high	93	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.02	18%	0.176	C	C	.	.	H	α-helix	trans	-50	-48.7	-175.3	178.3	-96.1	0	0	0	114.4	G388 T392 C393 Y394 F454 E455 A458 A493 A494	G388-Y390 VanDerWaalsContact C-N 3.34Å; G388-Y390 PolarHBondContact O-N 3.24Å; Y390-T392 VanDerWaalsContact C-N 3.32Å; Y390-T392 PolarHBondContact O-N 3.32Å; Y390-C393 WeakPolarHBondContact O-CA 3.36Å; Y390-C393 VanDerWaalsContact O-CB 3.29Å; Y390-C393 WeakPolarHBondContact O-CB 3.18Å; Y390-C393 PolarHBondContact O-N 2.81Å; Y390-C393 VanDerWaalsContact O-N 3.12Å; Y390-Y394 PolarHBondContact O-N 2.97Å; Y390-F454 WeakPolarHBondContact OH-CE1 2.98Å; Y390-E455 HydrophobicContact CD1-CG 4.4Å; Y390-E455 HydrophobicContact CE1-CG 4Å; Y390-A458 HydrophobicContact CD2-CB 3.89Å; Y390-A458 HydrophobicContact CE1-CB 4.28Å; Y390-A458 HydrophobicContact CE2-CB 3.51Å; Y390-A458 HydrophobicContact CG-CB 4.41Å; Y390-A493 HydrophobicContact CE2-CB 4.36Å; Y390-A494 HydrophobicContact CD2-CB 4.39Å; Y390-A494 HydrophobicContact CE2-CB 3.77Å
391	H	98.3	Very high	94.2	Very high	101 Å²	101	32.1 Å²	32.1	47%	0.468	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-37.8	-177.8	-58	-78.2	0	0	0	112.6	C389 Y394 K395 E455	C389-H391 PolarHBondContact O-N 3.29Å; H391-Y394 PolarHBondContact O-N 3.25Å; H391-K395 WeakPolarHBondContact O-CB 3.24Å; H391-K395 PolarHBondContact O-N 3.5Å; H391-E455 VanDerWaalsContact CE1-CD 3.43Å; H391-E455 IonicContact CE1-OE1 2.75Å; H391-E455 PolarHBondContact CE1-OE1 2.86Å; H391-E455 IonicContact ND1-OE1 3.2Å; H391-E455 PolarHBondContact ND1-OE1 3.48Å
392	T	97.5	Very high	94.6	Very high	74 Å²	74	32.9 Å²	32.9	45%	0.454	17%	0.172	S	C	.	.	H	α-helix	trans	-68.7	-40.3	174.9	-54.1	0	0	0	0	110.9	C362 C389 Y390 K395 S396	C362-T392 HydrophobicContact CB-CG2 4.39Å; C362-T392 WeakPolarHBondContact SG-CB 3.2Å; C362-T392 VanDerWaalsContact SG-CG2 3.54Å; C389-T392 PolarHBondContact O-N 3.48Å; C389-T392 VanDerWaalsContact O-N 3.11Å; Y390-T392 VanDerWaalsContact C-N 3.32Å; Y390-T392 PolarHBondContact O-N 3.32Å; T392-K395 PolarHBondContact O-N 2.99Å; T392-S396 PolarHBondContact O-N 2.82Å; T392-S396 PolarHBondContact O-OG 3.46Å
393	C	98.3	Very high	94.4	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-56.3	-54.1	171.5	173.4	0	0	0	0	111.1	C362 C363 C389 Y390 K395 S396 L397 A494	C362-C393 HydrophobicContact CB-CB 3.98Å; C363-C393 WeakPolarHBondContact CA-SG 3.33Å; C363-C393 HydrophobicContact CB-CB 3.96Å; C363-C393 WeakPolarHBondContact CB-SG 3.29Å; C363-C393 VanDerWaalsContact SG-CA 3.55Å; C363-C393 WeakPolarHBondContact SG-CB 3.35Å; C363-C393 CovalentContact SG-SG 2.02Å; C363-C393 PolarHBondContact SG-SG 2.9Å; C389-C393 PolarHBondContact O-N 3.47Å; Y390-C393 WeakPolarHBondContact O-CA 3.36Å; Y390-C393 VanDerWaalsContact O-CB 3.29Å; Y390-C393 WeakPolarHBondContact O-CB 3.18Å; Y390-C393 PolarHBondContact O-N 2.81Å; Y390-C393 VanDerWaalsContact O-N 3.12Å; C393-K395 VanDerWaalsContact C-N 3.29Å; C393-K395 PolarHBondContact O-N 3.16Å; C393-S396 PolarHBondContact O-N 2.93Å; C393-L397 VanDerWaalsContact O-CG 3.32Å; C393-L397 WeakPolarHBondContact O-CG 3.37Å; C393-L397 PolarHBondContact O-N 3.23Å; C393-A494 VanDerWaalsContact SG-CB 3.55Å
394	Y	98.4	Very high	93.5	Very high	31 Å²	31	38.6 Å²	38.6	12%	0.122	21%	0.209	C	C	.	.	H	α-helix	trans	-55.4	-43.3	178	179.1	-90.9	0	0	0	112.2	Y390 H391 L397 S398 A498	Y390-Y394 PolarHBondContact O-N 2.97Å; H391-Y394 PolarHBondContact O-N 3.25Å; Y394-L397 PolarHBondContact O-N 3.4Å; Y394-S398 WeakPolarHBondContact O-CB 3.38Å; Y394-S398 PolarHBondContact O-N 3.46Å; Y394-S398 PolarHBondContact O-OG 2.83Å; Y394-A498 HydrophobicContact CD2-CB 4.1Å; Y394-A498 HydrophobicContact CE2-CB 3.82Å
395	K	97	Very high	92.1	Very high	130 Å²	130	40.2 Å²	40.2	57%	0.565	22%	0.219	S	C	*	.	H	α-helix	trans	-62	-49.2	176.3	-175	-178.9	175.9	-176	0	112	H391 T392 C393 L397 S398 E399	H391-K395 WeakPolarHBondContact O-CB 3.24Å; H391-K395 PolarHBondContact O-N 3.5Å; T392-K395 PolarHBondContact O-N 2.99Å; C393-K395 VanDerWaalsContact C-N 3.29Å; C393-K395 PolarHBondContact O-N 3.16Å; K395-L397 VanDerWaalsContact C-N 3.31Å; K395-L397 PolarHBondContact O-N 2.96Å; K395-S398 WeakPolarHBondContact O-CB 3.33Å; K395-S398 PolarHBondContact O-N 3.28Å; K395-S398 VanDerWaalsContact O-N 3.16Å; K395-E399 VanDerWaalsContact CE-OE1 3.31Å; K395-E399 WeakPolarHBondContact CE-OE1 3.46Å; K395-E399 WeakPolarHBondContact O-CG 3.38Å; K395-E399 PolarHBondContact O-N 3.49Å
396	S	95.1	Very high	90.5	Very high	16 Å²	16	45.4 Å²	45.4	11%	0.112	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-40	178.4	-63.5	0	0	0	0	112.4	W298 T392 C393 E399 I400	W298-S396 VanDerWaalsContact CH2-CB 3.49Å; W298-S396 WeakPolarHBondContact CH2-OG 3.32Å; T392-S396 PolarHBondContact O-N 2.82Å; T392-S396 PolarHBondContact O-OG 3.46Å; C393-S396 PolarHBondContact O-N 2.93Å; S396-E399 PolarHBondContact O-N 3.48Å; S396-I400 WeakPolarHBondContact O-CG1 3.38Å; S396-I400 PolarHBondContact O-N 3.15Å; S396-I400 VanDerWaalsContact O-N 3.16Å
397	L	96.7	Very high	88.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-36.7	175.9	-62.1	-179.1	0	0	0	112.3	Y295 C393 Y394 K395 E399 I400 I401 F491 A494 W495 A498	Y295-L397 HydrophobicContact CD2-CD2 3.5Å; Y295-L397 HydrophobicContact CE2-CD2 4.11Å; Y295-L397 HydrophobicContact CG-CD2 3.94Å; C393-L397 VanDerWaalsContact O-CG 3.32Å; C393-L397 WeakPolarHBondContact O-CG 3.37Å; C393-L397 PolarHBondContact O-N 3.23Å; Y394-L397 PolarHBondContact O-N 3.4Å; K395-L397 VanDerWaalsContact C-N 3.31Å; K395-L397 PolarHBondContact O-N 2.96Å; L397-E399 VanDerWaalsContact C-N 3.33Å; L397-I400 HydrophobicContact CD2-CD1 4.2Å; L397-I400 PolarHBondContact O-N 3.07Å; L397-I401 WeakPolarHBondContact O-CG1 3.4Å; L397-I401 PolarHBondContact O-N 2.73Å; L397-F491 HydrophobicContact CD1-CD2 4.24Å; L397-F491 HydrophobicContact CD1-CE2 4.07Å; L397-F491 HydrophobicContact CD2-CD2 4.33Å; L397-F491 HydrophobicContact CD2-CE2 3.61Å; L397-F491 HydrophobicContact CD2-CZ 4.32Å; L397-A494 HydrophobicContact CD1-CB 3.69Å; L397-W495 HydrophobicContact CB-CE3 4.14Å; L397-W495 HydrophobicContact CD1-CB 4.01Å; L397-W495 HydrophobicContact CD1-CE3 4.34Å; L397-W495 HydrophobicContact CD2-CE3 4.16Å; L397-W495 HydrophobicContact CG-CE3 4.43Å; L397-A498 HydrophobicContact CB-CB 4.41Å
398	S	94.6	Very high	87.1	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-42.7	172.8	-60.3	0	0	0	0	111.3	Y394 K395 I400 I401 E402	Y394-S398 WeakPolarHBondContact O-CB 3.38Å; Y394-S398 PolarHBondContact O-N 3.46Å; Y394-S398 PolarHBondContact O-OG 2.83Å; K395-S398 WeakPolarHBondContact O-CB 3.33Å; K395-S398 PolarHBondContact O-N 3.28Å; K395-S398 VanDerWaalsContact O-N 3.16Å; S398-I400 PolarHBondContact O-N 2.59Å; S398-I401 PolarHBondContact O-N 2.89Å; S398-E402 WeakPolarHBondContact O-CB 3.42Å; S398-E402 VanDerWaalsContact O-CG 3.29Å; S398-E402 WeakPolarHBondContact O-CG 3.49Å; S398-E402 PolarHBondContact O-N 2.98Å
399	E	91.2	Very high	85.2	Confident	85 Å²	85	53.2 Å²	53.2	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-41.3	175.7	-71.8	170.4	-169.8	0	0	111.9	K395 S396 L397 E402 S403	K395-E399 VanDerWaalsContact CE-OE1 3.31Å; K395-E399 WeakPolarHBondContact CE-OE1 3.46Å; K395-E399 WeakPolarHBondContact O-CG 3.38Å; K395-E399 PolarHBondContact O-N 3.49Å; S396-E399 PolarHBondContact O-N 3.48Å; L397-E399 VanDerWaalsContact C-N 3.33Å; E399-E402 PolarHBondContact O-N 3.25Å; E399-S403 WeakPolarHBondContact O-CB 3.41Å; E399-S403 PolarHBondContact O-N 2.96Å; E399-S403 PolarHBondContact O-OG 3.41Å
400	I	90.9	Very high	83.3	Confident	18 Å²	18	56 Å²	56	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-48	174.8	-66.1	168.7	0	0	0	110.3	Y295 W298 S396 L397 S398 S403	Y295-I400 HydrophobicContact CD2-CD1 4.1Å; W298-I400 HydrophobicContact CB-CD1 3.74Å; W298-I400 HydrophobicContact CB-CG1 4.24Å; W298-I400 HydrophobicContact CD2-CD1 3.95Å; W298-I400 HydrophobicContact CD2-CG1 4.19Å; W298-I400 HydrophobicContact CG-CD1 3.6Å; W298-I400 HydrophobicContact CG-CG1 3.74Å; S396-I400 WeakPolarHBondContact O-CG1 3.38Å; S396-I400 PolarHBondContact O-N 3.15Å; S396-I400 VanDerWaalsContact O-N 3.16Å; L397-I400 HydrophobicContact CD2-CD1 4.2Å; L397-I400 PolarHBondContact O-N 3.07Å; S398-I400 PolarHBondContact O-N 2.59Å; I400-S403 PolarHBondContact O-N 3.07Å; I400-S403 PolarHBondContact O-OG 3.39Å
401	I	90.7	Very high	81.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-48	-179.9	-77.1	163.9	0	0	0	111.5	L397 S398 N404 L414 W495 A498 L499 K502	L397-I401 WeakPolarHBondContact O-CG1 3.4Å; L397-I401 PolarHBondContact O-N 2.73Å; S398-I401 PolarHBondContact O-N 2.89Å; I401-N404 PolarHBondContact O-N 3.5Å; I401-L414 HydrophobicContact CB-CD2 4.47Å; I401-L414 HydrophobicContact CG2-CD2 3.7Å; I401-W495 HydrophobicContact CD1-CE3 4.04Å; I401-W495 HydrophobicContact CD1-CH2 4.14Å; I401-W495 HydrophobicContact CD1-CZ3 3.73Å; I401-W495 HydrophobicContact CG1-CE3 4.47Å; I401-W495 HydrophobicContact CG1-CH2 3.79Å; I401-W495 HydrophobicContact CG1-CZ3 3.67Å; I401-A498 HydrophobicContact CD1-CB 3.65Å; I401-L499 HydrophobicContact CD1-CD2 3.67Å; I401-L499 HydrophobicContact CD1-CG 3.93Å; I401-L499 HydrophobicContact CG1-CD2 3.93Å; I401-K502 HydrophobicContact CG2-CB 4.12Å
402	E	85.5	Confident	80.3	Confident	74 Å²	74	55.4 Å²	55.4	35%	0.346	34%	0.34	S	S	.	.	H	α-helix	trans	-72.8	-30.3	-177.2	-70.2	172.6	169.4	0	0	111.9	S398 E399 N404 V405 K502	S398-E402 WeakPolarHBondContact O-CB 3.42Å; S398-E402 VanDerWaalsContact O-CG 3.29Å; S398-E402 WeakPolarHBondContact O-CG 3.49Å; S398-E402 PolarHBondContact O-N 2.98Å; E399-E402 PolarHBondContact O-N 3.25Å; E402-N404 PolarHBondContact O-N 3.01Å; E402-V405 WeakPolarHBondContact O-CB 3.28Å; E402-V405 PolarHBondContact O-N 3.41Å; E402-K502 HydrophobicContact CG-CB 4.34Å; E402-K502 WeakPolarHBondContact OE1-CD 3.42Å; E402-K502 IonicContact OE1-NZ 2.62Å
403	S	80.4	Confident	79.1	Confident	87 Å²	87	52.6 Å²	52.6	61%	0.608	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-22.9	175.9	71.6	0	0	0	0	113.7	E399 I400 V405	E399-S403 WeakPolarHBondContact O-CB 3.41Å; E399-S403 PolarHBondContact O-N 2.96Å; E399-S403 PolarHBondContact O-OG 3.41Å; I400-S403 PolarHBondContact O-N 3.07Å; I400-S403 PolarHBondContact O-OG 3.39Å; S403-V405 VanDerWaalsContact C-N 3.3Å
404	N	70.5	Confident	77.9	Confident	78 Å²	78	52.5 Å²	52.5	42%	0.417	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.5	173.9	-79.1	-3.6	0	0	0	113.2	Y286 I401 E402 E415	Y286-N404 PolarHBondContact OH-ND2 2.89Å; I401-N404 PolarHBondContact O-N 3.5Å; E402-N404 PolarHBondContact O-N 3.01Å; N404-E415 WeakPolarHBondContact O-CA 3.36Å
405	V	64.3	Low	76.8	Confident	36 Å²	36	55.8 Å²	55.8	22%	0.218	34%	0.337	C	S	.	.			trans	-93.4	101	176.8	-176.1	0	0	0	0	109.2	E402 S403	E402-V405 WeakPolarHBondContact O-CB 3.28Å; E402-V405 PolarHBondContact O-N 3.41Å; S403-V405 VanDerWaalsContact C-N 3.3Å
406	T	61.7	Low	75.5	Confident	128 Å²	128	50.6 Å²	50.6	79%	0.785	32%	0.321	S	S	*	.			trans	-90.1	3.9	-177.6	52.1	0	0	0	0	114.2
407	C	65.3	Low	74.4	Confident	39 Å²	39	50.8 Å²	50.8	26%	0.264	32%	0.321	S	S	.	.			trans	-106.1	140.5	-169.8	145.4	0	0	0	0	112.6	A409 C412	C407-A409 PolarHBondContact SG-N 2.88Å; C407-C412 HydrophobicContact CB-CB 3.55Å; C407-C412 WeakPolarHBondContact CB-SG 3.45Å; C407-C412 WeakPolarHBondContact SG-CB 3.47Å; C407-C412 CovalentContact SG-SG 2Å; C407-C412 PolarHBondContact SG-SG 2.63Å
408	A	59.1	Low	73.1	Confident	112 Å²	112	54.1 Å²	54.1	93%	0.926	33%	0.334	S	S	*	.			trans	-86.2	-16.4	177.9	0	0	0	0	0	114.7
409	A	57.5	Low	71.9	Confident	58 Å²	58	53.9 Å²	53.9	48%	0.479	33%	0.333	S	S	.	.	S	Bend	trans	-75.4	136.1	-178.1	0	0	0	0	0	111.4	C407 L411 C412	C407-A409 PolarHBondContact SG-N 2.88Å; A409-L411 PolarHBondContact O-N 2.86Å; A409-C412 PolarHBondContact O-N 3.47Å
410	A	58.9	Low	71.1	Confident	96 Å²	96	50.6 Å²	50.6	79%	0.793	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-10	179.7	0	0	0	0	0	115.1
411	L	61.6	Low	70.2	Confident	84 Å²	84	54 Å²	54	44%	0.44	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	14.3	-174	-65.6	172.2	0	0	0	114.3	A409 F413 Y418	A409-L411 PolarHBondContact O-N 2.86Å; L411-F413 VanDerWaalsContact O-CD2 3.28Å; L411-F413 WeakPolarHBondContact O-CD2 3.45Å; L411-F413 VanDerWaalsContact O-CE2 3.24Å; L411-F413 WeakPolarHBondContact O-CE2 3.35Å; L411-Y418 HydrophobicContact CB-CD2 4.26Å; L411-Y418 HydrophobicContact CB-CE2 3.9Å; L411-Y418 HydrophobicContact CD1-CE2 4.2Å
412	C	71.6	Confident	69.8	Low	10 Å²	10	55.1 Å²	55.1	7%	0.068	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-86	139.6	169.6	-65.5	0	0	0	0	111.9	C407 A409	C407-C412 HydrophobicContact CB-CB 3.55Å; C407-C412 WeakPolarHBondContact CB-SG 3.45Å; C407-C412 WeakPolarHBondContact SG-CB 3.47Å; C407-C412 CovalentContact SG-SG 2Å; C407-C412 PolarHBondContact SG-SG 2.63Å; A409-C412 PolarHBondContact O-N 3.47Å
413	F	71.1	Confident	69.7	Low	15 Å²	15	55.6 Å²	55.6	7%	0.066	36%	0.36	C	S	.	.			trans	-99.3	-163	175.6	-62	-102.5	0	0	0	108.6	L411 G416 V417 L419 G503 L504 R505	L411-F413 VanDerWaalsContact O-CD2 3.28Å; L411-F413 WeakPolarHBondContact O-CD2 3.45Å; L411-F413 VanDerWaalsContact O-CE2 3.24Å; L411-F413 WeakPolarHBondContact O-CE2 3.35Å; F413-G416 PolarHBondContact O-N 3.07Å; F413-G416 VanDerWaalsContact O-N 3.11Å; F413-V417 PolarHBondContact N-O 3.11Å; F413-L419 HydrophobicContact CB-CD1 4.13Å; F413-L419 HydrophobicContact CB-CG 4.17Å; F413-L419 HydrophobicContact CD1-CD1 3.35Å; F413-L419 HydrophobicContact CD1-CG 4.04Å; F413-L419 HydrophobicContact CD2-CB 3.57Å; F413-L419 HydrophobicContact CD2-CD1 3.47Å; F413-L419 VanDerWaalsContact CD2-CD1 3.47Å; F413-L419 HydrophobicContact CD2-CD2 4.44Å; F413-L419 HydrophobicContact CD2-CG 3.14Å; F413-L419 HydrophobicContact CE1-CD1 3.42Å; F413-L419 VanDerWaalsContact CE1-CD1 3.42Å; F413-L419 HydrophobicContact CE1-CG 4.18Å; F413-L419 HydrophobicContact CE2-CB 3.24Å; F413-L419 HydrophobicContact CE2-CD1 3.58Å; F413-L419 HydrophobicContact CE2-CG 3.36Å; F413-L419 HydrophobicContact CG-CB 4.36Å; F413-L419 HydrophobicContact CG-CD1 3.34Å; F413-L419 HydrophobicContact CG-CG 3.5Å; F413-L419 HydrophobicContact CZ-CB 3.77Å; F413-L419 HydrophobicContact CZ-CD1 3.53Å; F413-L419 HydrophobicContact CZ-CG 3.87Å; F413-G503 WeakPolarHBondContact CA-O 3.3Å; F413-L504 WeakPolarHBondContact CD1-O 3.43Å; F413-L504 WeakPolarHBondContact CE1-O 3.42Å; F413-R505 HydrophobicContact CD1-CB 3.96Å; F413-R505 HydrophobicContact CD1-CG 4.03Å; F413-R505 HydrophobicContact CE1-CB 3.7Å; F413-R505 HydrophobicContact CE1-CG 4.23Å; F413-R505 HydrophobicContact CZ-CB 4.49Å
414	L	75	Confident	70.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-41.5	139.5	172.7	-78	166.3	0	0	0	112.7	L240 Y283 Y286 I401 G416 V417 L499 G503 L504	L240-L414 HydrophobicContact CD2-CD1 4.09Å; Y283-L414 HydrophobicContact CD1-CB 3.78Å; Y283-L414 HydrophobicContact CD1-CD1 4.33Å; Y283-L414 HydrophobicContact CD2-CD1 4.16Å; Y283-L414 HydrophobicContact CE1-CB 3.34Å; Y283-L414 HydrophobicContact CE1-CD1 4.39Å; Y283-L414 HydrophobicContact CE1-CG 4.49Å; Y283-L414 WeakPolarHBondContact CE1-O 3.46Å; Y283-L414 HydrophobicContact CE2-CB 4.4Å; Y283-L414 HydrophobicContact CE2-CD1 4.2Å; Y283-L414 HydrophobicContact CG-CB 4.47Å; Y283-L414 HydrophobicContact CG-CD1 4.21Å; Y286-L414 HydrophobicContact CD1-CD1 4.21Å; Y286-L414 HydrophobicContact CD1-CD2 4.21Å; Y286-L414 HydrophobicContact CE1-CD1 4.26Å; Y286-L414 HydrophobicContact CE1-CD2 3.48Å; Y286-L414 VanDerWaalsContact CE1-CD2 3.48Å; Y286-L414 HydrophobicContact CE1-CG 4.43Å; I401-L414 HydrophobicContact CB-CD2 4.47Å; I401-L414 HydrophobicContact CG2-CD2 3.7Å; L414-G416 PolarHBondContact O-N 3.26Å; L414-V417 PolarHBondContact O-N 3.3Å; L414-L499 HydrophobicContact CD1-CD2 3.67Å; L414-L499 HydrophobicContact CD2-CD2 4.32Å; L414-G503 PolarHBondContact N-O 3.48Å; L414-G503 VanDerWaalsContact N-O 3.09Å; L414-L504 HydrophobicContact CD1-CD2 4.49Å
415	E	73.6	Confident	70.9	Confident	99 Å²	99	53.5 Å²	53.5	46%	0.463	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	56.7	17.7	179.6	-56.6	-175.3	173.8	0	0	114.9	Y283 Y286 N404 V417	Y283-E415 HydrophobicContact CD1-CG 4.43Å; Y286-E415 HydrophobicContact CE2-CG 4.36Å; Y286-E415 VanDerWaalsContact CE2-OE1 3.28Å; Y286-E415 WeakPolarHBondContact CE2-OE1 3.37Å; N404-E415 WeakPolarHBondContact O-CA 3.36Å; E415-V417 VanDerWaalsContact C-N 3.31Å; E415-V417 PolarHBondContact O-N 2.84Å
416	G	70.4	Confident	71.9	Confident	22 Å²	22	54.1 Å²	54.1	23%	0.227	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	78.1	11.7	179.8	0	0	0	0	0	114.3	F413 L414 Y418	F413-G416 PolarHBondContact O-N 3.07Å; F413-G416 VanDerWaalsContact O-N 3.11Å; L414-G416 PolarHBondContact O-N 3.26Å; G416-Y418 PolarHBondContact O-N 3Å
417	V	71.2	Confident	73.4	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.115	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-70.3	125.2	178.3	179.5	0	0	0	0	110.1	F259 Y283 F413 L414 E415 L419	F259-V417 HydrophobicContact CD1-CG1 4.24Å; F259-V417 HydrophobicContact CE1-CG1 3.62Å; F259-V417 HydrophobicContact CE1-CG2 4.34Å; F259-V417 HydrophobicContact CE2-CG1 4.15Å; F259-V417 HydrophobicContact CZ-CB 4.48Å; F259-V417 HydrophobicContact CZ-CG1 3.57Å; F259-V417 HydrophobicContact CZ-CG2 4.17Å; Y283-V417 HydrophobicContact CE1-CG2 4.43Å; F413-V417 PolarHBondContact N-O 3.11Å; L414-V417 PolarHBondContact O-N 3.3Å; E415-V417 VanDerWaalsContact C-N 3.31Å; E415-V417 PolarHBondContact O-N 2.84Å; V417-L419 HydrophobicContact CG1-CD2 4.29Å
418	Y	71.1	Confident	74.8	Confident	71 Å²	71	48.8 Å²	48.8	28%	0.278	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-77.9	124	172.3	-173.7	-81.7	0	0	0	110	L255 L411 G416	L255-Y418 HydrophobicContact CD1-CD1 2.97Å; L255-Y418 HydrophobicContact CD1-CD2 3.73Å; L255-Y418 HydrophobicContact CD1-CE1 3.35Å; L255-Y418 HydrophobicContact CD1-CE2 4.05Å; L255-Y418 HydrophobicContact CD1-CG 3.16Å; L255-Y418 HydrophobicContact CG-CD1 4.4Å; L411-Y418 HydrophobicContact CB-CD2 4.26Å; L411-Y418 HydrophobicContact CB-CE2 3.9Å; L411-Y418 HydrophobicContact CD1-CE2 4.2Å; G416-Y418 PolarHBondContact O-N 3Å
419	L	68.6	Low	76.7	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-99.8	145.1	169.7	-51.5	179.9	0	0	0	110.3	F279 F413 V417 A421	F279-L419 HydrophobicContact CD1-CD2 4.34Å; F279-L419 HydrophobicContact CE1-CD2 3.29Å; F279-L419 HydrophobicContact CE2-CD2 3.83Å; F279-L419 HydrophobicContact CZ-CD2 2.99Å; F279-L419 HydrophobicContact CZ-CG 4.35Å; F413-L419 HydrophobicContact CB-CD1 4.13Å; F413-L419 HydrophobicContact CB-CG 4.17Å; F413-L419 HydrophobicContact CD1-CD1 3.35Å; F413-L419 HydrophobicContact CD1-CG 4.04Å; F413-L419 HydrophobicContact CD2-CB 3.57Å; F413-L419 HydrophobicContact CD2-CD1 3.47Å; F413-L419 VanDerWaalsContact CD2-CD1 3.47Å; F413-L419 HydrophobicContact CD2-CD2 4.44Å; F413-L419 HydrophobicContact CD2-CG 3.14Å; F413-L419 HydrophobicContact CE1-CD1 3.42Å; F413-L419 VanDerWaalsContact CE1-CD1 3.42Å; F413-L419 HydrophobicContact CE1-CG 4.18Å; F413-L419 HydrophobicContact CE2-CB 3.24Å; F413-L419 HydrophobicContact CE2-CD1 3.58Å; F413-L419 HydrophobicContact CE2-CG 3.36Å; F413-L419 HydrophobicContact CG-CB 4.36Å; F413-L419 HydrophobicContact CG-CD1 3.34Å; F413-L419 HydrophobicContact CG-CG 3.5Å; F413-L419 HydrophobicContact CZ-CB 3.77Å; F413-L419 HydrophobicContact CZ-CD1 3.53Å; F413-L419 HydrophobicContact CZ-CG 3.87Å; V417-L419 HydrophobicContact CG1-CD2 4.29Å; L419-A421 PolarHBondContact O-N 3.49Å
420	P	73.7	Confident	78.6	Confident	16 Å²	16	42 Å²	42	10%	0.104	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-49.6	138.1	162.7	-24.7	31.8	0	0	0	110.8	Y244 V246 Y260 F279 I422	Y244-P420 HydrophobicContact CE2-CB 4.45Å; Y244-P420 WeakPolarHBondContact OH-CD 3.5Å; Y244-P420 PolarHBondContact OH-O 3.46Å; V246-P420 HydrophobicContact CG1-CB 4.27Å; V246-P420 HydrophobicContact CG1-CG 4.18Å; Y260-P420 HydrophobicContact CE1-CG 3.9Å; Y260-P420 WeakPolarHBondContact OH-CG 3.45Å; F279-P420 HydrophobicContact CD2-CG 3.73Å; F279-P420 HydrophobicContact CE2-CG 4.38Å; F279-P420 HydrophobicContact CG-CG 4.26Å; P420-I422 WeakPolarHBondContact O-CG1 3.32Å; P420-I422 PolarHBondContact O-N 2.95Å; P420-I422 VanDerWaalsContact O-N 3.17Å
421	A	72.4	Confident	80.5	Confident	88 Å²	88	37.4 Å²	37.4	73%	0.727	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-51.8	124.1	176	0	0	0	0	0	110.7	L419	L419-A421 PolarHBondContact O-N 3.49Å
422	I	81.5	Confident	82.1	Confident	24 Å²	24	33.5 Å²	33.5	12%	0.123	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-97.6	124.5	-179.3	-57.5	175.9	0	0	0	108.3	Y244 P420 F424 F429	Y244-I422 HydrophobicContact CE1-CD1 3.83Å; Y244-I422 HydrophobicContact CE1-CG1 4.2Å; Y244-I422 HydrophobicContact CE2-CG1 4.04Å; Y244-I422 WeakPolarHBondContact OH-CG1 3.27Å; P420-I422 WeakPolarHBondContact O-CG1 3.32Å; P420-I422 PolarHBondContact O-N 2.95Å; P420-I422 VanDerWaalsContact O-N 3.17Å; I422-F424 HydrophobicContact CB-CD1 4.38Å; I422-F424 HydrophobicContact CB-CD2 4.32Å; I422-F424 HydrophobicContact CB-CE1 4.01Å; I422-F424 HydrophobicContact CB-CE2 3.97Å; I422-F424 HydrophobicContact CB-CZ 3.81Å; I422-F424 HydrophobicContact CD1-CE1 4.09Å; I422-F424 HydrophobicContact CD1-CZ 3.98Å; I422-F424 HydrophobicContact CG1-CZ 4.42Å; I422-F424 HydrophobicContact CG2-CD1 3.68Å; I422-F424 HydrophobicContact CG2-CD2 4.32Å; I422-F424 HydrophobicContact CG2-CE1 3.65Å; I422-F424 HydrophobicContact CG2-CE2 4.31Å; I422-F424 HydrophobicContact CG2-CG 4.04Å; I422-F424 HydrophobicContact CG2-CZ 3.99Å; I422-F424 WeakPolarHBondContact O-CD2 3.49Å; I422-F424 PolarHBondContact O-N 3.01Å; I422-F424 VanDerWaalsContact O-N 3.16Å; I422-F429 HydrophobicContact CD1-CZ 4.14Å; I422-F429 HydrophobicContact CG2-CE2 3.52Å; I422-F429 HydrophobicContact CG2-CZ 3.52Å
423	D	84.7	Confident	83.3	Confident	84 Å²	84	33.7 Å²	33.7	45%	0.449	20%	0.204	S	C	.	.			trans	-82.1	87.8	166.1	-177.9	-3	0	0	0	109.3	A425 S426 T427	D423-A425 PolarHBondContact O-N 3.41Å; D423-A425 PolarHBondContact OD1-N 3.36Å; D423-A425 VanDerWaalsContact OD1-N 3.16Å; D423-S426 PolarHBondContact O-N 3.48Å; D423-S426 PolarHBondContact OD1-N 3.05Å; D423-S426 PolarHBondContact OD1-OG 2.95Å; D423-S426 PolarHBondContact OD2-OG 3.49Å; D423-T427 VanDerWaalsContact O-CB 3.26Å; D423-T427 WeakPolarHBondContact O-CB 3.33Å; D423-T427 PolarHBondContact O-N 2.84Å; D423-T427 PolarHBondContact O-OG1 3.47Å
424	F	87.5	Confident	84.5	Confident	38 Å²	38	33.2 Å²	33.2	17%	0.167	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	179.6	-65.1	-73.1	0	0	0	113.2	I422 S426 F429 F506 P507 I510 N512	I422-F424 HydrophobicContact CB-CD1 4.38Å; I422-F424 HydrophobicContact CB-CD2 4.32Å; I422-F424 HydrophobicContact CB-CE1 4.01Å; I422-F424 HydrophobicContact CB-CE2 3.97Å; I422-F424 HydrophobicContact CB-CZ 3.81Å; I422-F424 HydrophobicContact CD1-CE1 4.09Å; I422-F424 HydrophobicContact CD1-CZ 3.98Å; I422-F424 HydrophobicContact CG1-CZ 4.42Å; I422-F424 HydrophobicContact CG2-CD1 3.68Å; I422-F424 HydrophobicContact CG2-CD2 4.32Å; I422-F424 HydrophobicContact CG2-CE1 3.65Å; I422-F424 HydrophobicContact CG2-CE2 4.31Å; I422-F424 HydrophobicContact CG2-CG 4.04Å; I422-F424 HydrophobicContact CG2-CZ 3.99Å; I422-F424 WeakPolarHBondContact O-CD2 3.49Å; I422-F424 PolarHBondContact O-N 3.01Å; I422-F424 VanDerWaalsContact O-N 3.16Å; F424-S426 VanDerWaalsContact C-N 3.32Å; F424-S426 PolarHBondContact O-N 3.4Å; F424-F429 HydrophobicContact CD1-CE2 4.16Å; F424-F429 HydrophobicContact CE1-CE2 4.42Å; F424-F506 HydrophobicContact CD1-CD1 4.01Å; F424-F506 HydrophobicContact CD1-CE1 4.06Å; F424-F506 HydrophobicContact CD1-CG 4.36Å; F424-F506 HydrophobicContact CD1-CZ 4.48Å; F424-F506 HydrophobicContact CE1-CB 4.4Å; F424-F506 AromaticContact CE1-CD1 3.65Å; F424-F506 HydrophobicContact CE1-CD1 3.65Å; F424-F506 AromaticContact CE1-CD2 3.74Å; F424-F506 HydrophobicContact CE1-CD2 3.74Å; F424-F506 AromaticContact CE1-CE1 3.67Å; F424-F506 HydrophobicContact CE1-CE1 3.67Å; F424-F506 AromaticContact CE1-CE2 3.76Å; F424-F506 HydrophobicContact CE1-CE2 3.76Å; F424-F506 AromaticContact CE1-CG 3.66Å; F424-F506 HydrophobicContact CE1-CG 3.66Å; F424-F506 AromaticContact CE1-CZ 3.71Å; F424-F506 HydrophobicContact CE1-CZ 3.71Å; F424-F506 HydrophobicContact CZ-CD2 4.1Å; F424-F506 HydrophobicContact CZ-CE2 4.31Å; F424-F506 HydrophobicContact CZ-CG 4.24Å; F424-P507 HydrophobicContact CB-CG 4.4Å; F424-P507 HydrophobicContact CD2-CG 3.83Å; F424-P507 HydrophobicContact CE2-CG 4.31Å; F424-P507 HydrophobicContact CG-CG 4.16Å; F424-I510 HydrophobicContact CB-CD1 4.33Å; F424-I510 HydrophobicContact CD1-CD1 3.86Å; F424-I510 HydrophobicContact CG-CD1 4.44Å; F424-N512 PolarHBondContact O-ND2 3.36Å
425	A	87.3	Confident	85.7	Confident	83 Å²	83	33.2 Å²	33.2	69%	0.686	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.1	-177.3	0	0	0	0	0	112.4	D423 N512	D423-A425 PolarHBondContact O-N 3.41Å; D423-A425 PolarHBondContact OD1-N 3.36Å; D423-A425 VanDerWaalsContact OD1-N 3.16Å; A425-N512 PolarHBondContact O-ND2 2.89Å
426	S	87	Confident	86.8	Confident	50 Å²	50	30.6 Å²	30.6	35%	0.35	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	3.4	-175.1	71.2	0	0	0	0	114.4	R228 D423 F424	R228-S426 VanDerWaalsContact CZ-O 3.26Å; R228-S426 PolarHBondContact NE-O 3.2Å; R228-S426 VanDerWaalsContact NH1-CB 3.26Å; R228-S426 PolarHBondContact NH1-O 3.35Å; R228-S426 VanDerWaalsContact NH1-O 3.09Å; R228-S426 PolarHBondContact NH1-OG 3.28Å; R228-S426 PolarHBondContact NH2-OG 3.39Å; D423-S426 PolarHBondContact O-N 3.48Å; D423-S426 PolarHBondContact OD1-N 3.05Å; D423-S426 PolarHBondContact OD1-OG 2.95Å; D423-S426 PolarHBondContact OD2-OG 3.49Å; F424-S426 VanDerWaalsContact C-N 3.32Å; F424-S426 PolarHBondContact O-N 3.4Å
427	T	92.1	Very high	88.1	Confident	14 Å²	14	33.4 Å²	33.4	9%	0.086	19%	0.192	C	C	.	.			trans	-117.4	120.8	178.8	-46.6	0	0	0	0	110.1	R228 D423 F429	R228-T427 PolarHBondContact NH2-OG1 3.15Å; D423-T427 VanDerWaalsContact O-CB 3.26Å; D423-T427 WeakPolarHBondContact O-CB 3.33Å; D423-T427 PolarHBondContact O-N 2.84Å; D423-T427 PolarHBondContact O-OG1 3.47Å; T427-F429 HydrophobicContact CG2-CD2 4.14Å; T427-F429 HydrophobicContact CG2-CE2 3.64Å; T427-F429 HydrophobicContact CG2-CZ 4.16Å
428	D	96	Very high	89.4	Confident	41 Å²	41	32.5 Å²	32.5	22%	0.219	19%	0.186	C	C	.	.			trans	-72	136.6	167	-62.7	-63.5	0	0	0	110.7	R204 A230 G231 Y430 H514	R204-D428 IonicContact CZ-OD2 3.61Å; R204-D428 IonicContact NH1-OD2 3.85Å; R204-D428 IonicContact NH2-OD2 2.97Å; R204-D428 PolarHBondContact NH2-OD2 3.44Å; A230-D428 CarbonylContact C-O 3.57Å; A230-D428 WeakPolarHBondContact CA-O 3.32Å; A230-D428 HydrophobicContact CB-CB 4.35Å; A230-D428 WeakPolarHBondContact CB-O 3.38Å; G231-D428 PolarHBondContact N-O 3.43Å; D428-Y430 HydrophobicContact CB-CE2 3.82Å; D428-H514 IonicContact OD1-CD2 2.65Å; D428-H514 IonicContact OD1-NE2 2.64Å; D428-H514 PolarHBondContact OD1-NE2 2.98Å; D428-H514 VanDerWaalsContact OD1-NE2 3.17Å
429	F	97.7	Very high	90.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.7	169.9	-79.5	-94.2	0	0	0	110.4	G231 Y244 I422 F424 T427 F506 N512 F513 H514	G231-F429 WeakPolarHBondContact O-CA 2.86Å; Y244-F429 HydrophobicContact CD1-CE1 4.31Å; I422-F429 HydrophobicContact CD1-CZ 4.14Å; I422-F429 HydrophobicContact CG2-CE2 3.52Å; I422-F429 HydrophobicContact CG2-CZ 3.52Å; F424-F429 HydrophobicContact CD1-CE2 4.16Å; F424-F429 HydrophobicContact CE1-CE2 4.42Å; T427-F429 HydrophobicContact CG2-CD2 4.14Å; T427-F429 HydrophobicContact CG2-CE2 3.64Å; T427-F429 HydrophobicContact CG2-CZ 4.16Å; F429-F506 HydrophobicContact CB-CE1 3.91Å; F429-F506 HydrophobicContact CB-CZ 4.48Å; F429-F506 AromaticContact CD1-CE1 3.87Å; F429-F506 HydrophobicContact CD1-CE1 3.87Å; F429-F506 AromaticContact CD1-CZ 3.6Å; F429-F506 HydrophobicContact CD1-CZ 3.6Å; F429-F506 AromaticContact CD2-CE1 3.87Å; F429-F506 HydrophobicContact CD2-CE1 3.87Å; F429-F506 HydrophobicContact CD2-CZ 4.23Å; F429-F506 HydrophobicContact CE1-CE1 4.36Å; F429-F506 AromaticContact CE1-CZ 3.77Å; F429-F506 HydrophobicContact CE1-CZ 3.77Å; F429-F506 HydrophobicContact CE2-CE1 4.35Å; F429-F506 HydrophobicContact CE2-CZ 4.37Å; F429-F506 AromaticContact CG-CE1 3.6Å; F429-F506 HydrophobicContact CG-CE1 3.6Å; F429-F506 AromaticContact CG-CZ 3.85Å; F429-F506 HydrophobicContact CG-CZ 3.85Å; F429-F506 HydrophobicContact CZ-CZ 4.16Å; F429-N512 PolarHBondContact N-O 2.87Å; F429-F513 HydrophobicContact CB-CD2 3.83Å; F429-F513 HydrophobicContact CB-CE2 4.5Å; F429-F513 CarbonylContact O-C 3.55Å; F429-F513 WeakPolarHBondContact O-CA 3.37Å; F429-H514 PolarHBondContact O-N 2.83Å
430	Y	97.9	Very high	92.1	Very high	27 Å²	27	29.9 Å²	29.9	11%	0.106	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122	177.2	-69.4	-94.3	0	0	0	110.6	V198 L202 A230 G231 I232 L233 D428 H514 V516 M519	V198-Y430 HydrophobicContact CG1-CD2 3.64Å; V198-Y430 HydrophobicContact CG1-CE2 4.31Å; V198-Y430 HydrophobicContact CG1-CG 3.83Å; L202-Y430 HydrophobicContact CD1-CD2 4.14Å; L202-Y430 HydrophobicContact CD1-CE2 3.47Å; L202-Y430 VanDerWaalsContact CD1-CE2 3.47Å; A230-Y430 HydrophobicContact CB-CD2 3.63Å; A230-Y430 HydrophobicContact CB-CE2 3.64Å; G231-Y430 PolarHBondContact O-N 2.93Å; I232-Y430 CarbonylContact C-O 3.56Å; I232-Y430 WeakPolarHBondContact CA-O 3.03Å; L233-Y430 PolarHBondContact N-O 3.09Å; D428-Y430 HydrophobicContact CB-CE2 3.82Å; Y430-H514 CarbonylContact C-O 3.48Å; Y430-H514 VanDerWaalsContact CA-O 3.31Å; Y430-H514 WeakPolarHBondContact CA-O 2.99Å; Y430-H514 HydrophobicContact CD1-CB 3.7Å; Y430-H514 HydrophobicContact CE1-CB 3.75Å; Y430-H514 HydrophobicContact CG-CB 4.41Å; Y430-V516 HydrophobicContact CD1-CG1 3.78Å; Y430-V516 HydrophobicContact CD1-CG2 3.92Å; Y430-V516 HydrophobicContact CE1-CG1 4.27Å; Y430-V516 HydrophobicContact CG-CG2 4.45Å; Y430-M519 HydrophobicContact CD1-CE 3.98Å; Y430-M519 HydrophobicContact CD1-SD 3.53Å; Y430-M519 VanDerWaalsContact CD1-SD 3.53Å; Y430-M519 HydrophobicContact CE1-CE 3.7Å; Y430-M519 HydrophobicContact CE1-SD 3.74Å; Y430-M519 HydrophobicContact CG-SD 4.3Å
431	G	97.9	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.5	177.9	0	0	0	0	0	111.1	L233 H514 P515 V516	L233-G431 CarbonylContact O-C 3.6Å; L233-G431 WeakPolarHBondContact O-CA 3.38Å; G431-H514 PolarHBondContact N-O 3.31Å; G431-P515 CarbonylContact O-C 3.53Å; G431-P515 VanDerWaalsContact O-CA 3.26Å; G431-P515 WeakPolarHBondContact O-CA 3.41Å; G431-V516 PolarHBondContact O-N 3.13Å
432	M	96.8	Very high	94.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	172.8	-179.5	-59	177.8	-56.6	0	0	111.5	A194 V198 L233 D234 E434 Y435 V516 I524	A194-M432 HydrophobicContact CB-CE 3.48Å; A194-M432 VanDerWaalsContact CB-CE 3.48Å; V198-M432 HydrophobicContact CG2-SD 3.8Å; L233-M432 PolarHBondContact O-N 3.35Å; D234-M432 HydrophobicContact CB-CE 3.62Å; M432-E434 PolarHBondContact O-N 3.2Å; M432-Y435 PolarHBondContact O-N 3.39Å; M432-V516 HydrophobicContact CG-CG2 4.26Å; M432-I524 HydrophobicContact CG-CG2 4.08Å; M432-I524 HydrophobicContact SD-CG2 3.42Å; M432-I524 WeakPolarHBondContact SD-CG2 3.36Å
433	S	95.5	Very high	95.2	Very high	14 Å²	14	26.6 Å²	26.6	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58	-118.8	171.8	-57.3	0	0	0	0	111.6	D234 L235 Y435 W436 Y437	D234-S433 VanDerWaalsContact OD1-CB 3.27Å; D234-S433 WeakPolarHBondContact OD1-CB 3.35Å; D234-S433 PolarHBondContact OD1-OG 3.44Å; L235-S433 WeakPolarHBondContact O-CB 3.4Å; S433-Y435 PolarHBondContact O-N 2.88Å; S433-W436 WeakPolarHBondContact O-CB 3.35Å; S433-W436 PolarHBondContact O-N 3.3Å; S433-Y437 WeakPolarHBondContact O-CD2 3.37Å; S433-Y437 VanDerWaalsContact O-CG 3.3Å; S433-Y437 PolarHBondContact O-N 3.39Å
434	E	97.5	Very high	95.8	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-27.6	-175.4	-168.8	63.6	-116.2	0	0	113.7	L235 A288 M432 W436 Y437 S438 R485 K492 A496	L235-E434 HydrophobicContact CB-CB 3.94Å; L235-E434 HydrophobicContact CD2-CB 3.8Å; L235-E434 HydrophobicContact CD2-CG 3.93Å; L235-E434 HydrophobicContact CG-CB 3.67Å; L235-E434 HydrophobicContact CG-CG 4.24Å; L235-E434 WeakPolarHBondContact O-CB 3.46Å; L235-E434 PolarHBondContact O-N 2.96Å; A288-E434 HydrophobicContact CB-CB 4.06Å; A288-E434 HydrophobicContact CB-CG 3.49Å; A288-E434 VanDerWaalsContact CB-CG 3.49Å; A288-E434 VanDerWaalsContact CB-OE2 3.25Å; A288-E434 WeakPolarHBondContact CB-OE2 3.46Å; M432-E434 PolarHBondContact O-N 3.2Å; E434-W436 VanDerWaalsContact C-N 3.3Å; E434-W436 PolarHBondContact O-N 2.96Å; E434-Y437 PolarHBondContact O-N 3.37Å; E434-S438 WeakPolarHBondContact O-CB 3.42Å; E434-S438 PolarHBondContact O-N 2.93Å; E434-S438 PolarHBondContact O-OG 3.18Å; E434-S438 VanDerWaalsContact O-OG 3.14Å; E434-S438 PolarHBondContact OE1-OG 3.3Å; E434-R485 VanDerWaalsContact CD-NH2 3.32Å; E434-R485 IonicContact OE1-CZ 3.9Å; E434-R485 IonicContact OE1-NH1 3.27Å; E434-R485 PolarHBondContact OE1-NH1 2.97Å; E434-R485 IonicContact OE1-NH2 3.49Å; E434-R485 PolarHBondContact OE1-NH2 2.97Å; E434-R485 IonicContact OE2-CZ 3.61Å; E434-R485 IonicContact OE2-NH1 2.99Å; E434-R485 IonicContact OE2-NH2 3.12Å; E434-R485 PolarHBondContact OE2-NH2 3.24Å; E434-K492 HydrophobicContact CG-CB 4.49Å; E434-K492 WeakPolarHBondContact OE2-CD 3.17Å; E434-K492 IonicContact OE2-NZ 3.17Å; E434-K492 PolarHBondContact OE2-NZ 2.82Å; E434-A496 HydrophobicContact CG-CB 4.44Å
435	Y	98.3	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-40	172.9	-75.8	-66.1	0	0	0	111.9	L233 L235 L240 M432 S433 T439 A496 F497 L500 F513	L233-Y435 HydrophobicContact CB-CD2 4.05Å; L233-Y435 HydrophobicContact CB-CE2 3.62Å; L233-Y435 HydrophobicContact CD1-CE2 4.13Å; L235-Y435 HydrophobicContact CB-CD2 3.79Å; L235-Y435 HydrophobicContact CB-CE2 3.64Å; L235-Y435 HydrophobicContact CD2-CE2 4.44Å; L240-Y435 HydrophobicContact CD1-CE2 4.17Å; M432-Y435 PolarHBondContact O-N 3.39Å; S433-Y435 PolarHBondContact O-N 2.88Å; Y435-T439 WeakPolarHBondContact O-CG2 3.31Å; Y435-T439 PolarHBondContact O-OG1 3.16Å; Y435-T439 VanDerWaalsContact O-OG1 3.08Å; Y435-A496 HydrophobicContact CD1-CB 4.19Å; Y435-A496 HydrophobicContact CE1-CB 4.16Å; Y435-A496 WeakPolarHBondContact CE1-O 3.46Å; Y435-A496 PolarHBondContact OH-O 2.74Å; Y435-F497 HydrophobicContact CD1-CZ 4.32Å; Y435-L500 HydrophobicContact CE1-CB 4.09Å; Y435-L500 HydrophobicContact CE1-CD1 4.4Å; Y435-F513 AromaticContact CD1-CE1 3.97Å; Y435-F513 HydrophobicContact CD1-CE1 3.97Å; Y435-F513 AromaticContact CD1-CZ 3.69Å; Y435-F513 HydrophobicContact CD1-CZ 3.69Å; Y435-F513 HydrophobicContact CD2-CZ 4.29Å; Y435-F513 HydrophobicContact CE1-CE1 4.46Å; Y435-F513 HydrophobicContact CE1-CZ 4.09Å; Y435-F513 HydrophobicContact CG-CE1 4.41Å; Y435-F513 AromaticContact CG-CZ 3.8Å; Y435-F513 HydrophobicContact CG-CZ 3.8Å
436	W	97.8	Very high	96.6	Very high	43 Å²	43	29.6 Å²	29.6	16%	0.163	16%	0.157	C	C	.	.	H	α-helix	trans	-73.3	-48.9	173.8	170.8	-92.7	0	0	0	111.9	S433 E434 S438 T439 N440 P515 V516 S517	S433-W436 WeakPolarHBondContact O-CB 3.35Å; S433-W436 PolarHBondContact O-N 3.3Å; E434-W436 VanDerWaalsContact C-N 3.3Å; E434-W436 PolarHBondContact O-N 2.96Å; W436-S438 PolarHBondContact O-N 3.29Å; W436-T439 PolarHBondContact O-N 2.93Å; W436-T439 VanDerWaalsContact O-N 3.11Å; W436-T439 PolarHBondContact O-OG1 3.08Å; W436-T439 VanDerWaalsContact O-OG1 3.07Å; W436-N440 HydrophobicContact CD2-CB 3.9Å; W436-N440 HydrophobicContact CE3-CB 4.25Å; W436-N440 HydrophobicContact CG-CB 4.48Å; W436-N440 HydrophobicContact CH2-CB 4.06Å; W436-N440 HydrophobicContact CZ2-CB 3.63Å; W436-N440 WeakPolarHBondContact CZ2-OD1 3.32Å; W436-N440 HydrophobicContact CZ3-CB 4.34Å; W436-N440 WeakPolarHBondContact O-CB 3.4Å; W436-N440 PolarHBondContact O-N 2.79Å; W436-P515 VanDerWaalsContact CE3-O 3.3Å; W436-V516 VanDerWaalsContact CE3-CA 3.5Å; W436-S517 VanDerWaalsContact CZ2-OG 3.31Å; W436-S517 WeakPolarHBondContact CZ2-OG 3.48Å; W436-S517 PolarHBondContact NE1-OG 3.23Å
437	Y	97.5	Very high	96.9	Very high	81 Å²	81	29.8 Å²	29.8	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-36.2	-175.7	-54.9	-41.8	0	0	0	112.2	S433 E434 D441 R485	S433-Y437 WeakPolarHBondContact O-CD2 3.37Å; S433-Y437 VanDerWaalsContact O-CG 3.3Å; S433-Y437 PolarHBondContact O-N 3.39Å; E434-Y437 PolarHBondContact O-N 3.37Å; Y437-D441 WeakPolarHBondContact CB-OD2 3.48Å; Y437-D441 WeakPolarHBondContact CD1-OD2 3.34Å; Y437-D441 WeakPolarHBondContact O-CB 3.39Å; Y437-D441 PolarHBondContact O-N 2.96Å; Y437-R485 VanDerWaalsContact CB-CZ 3.41Å
438	S	98.3	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.8	-26.6	177.9	-72.9	0	0	0	0	113.5	E434 W436 L443 Q489 K492 A493	E434-S438 WeakPolarHBondContact O-CB 3.42Å; E434-S438 PolarHBondContact O-N 2.93Å; E434-S438 PolarHBondContact O-OG 3.18Å; E434-S438 VanDerWaalsContact O-OG 3.14Å; E434-S438 PolarHBondContact OE1-OG 3.3Å; W436-S438 PolarHBondContact O-N 3.29Å; S438-L443 WeakPolarHBondContact O-CD1 3.48Å; S438-Q489 PolarHBondContact O-NE2 3.44Å; S438-K492 PolarHBondContact OG-O 2.96Å; S438-A493 PolarHBondContact OG-N 3.3Å
439	T	98.4	Very high	97.2	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-93.4	-34.5	177.7	55.6	0	0	0	0	113	Y435 W436 L443 L445 F454 F497 P515	Y435-T439 WeakPolarHBondContact O-CG2 3.31Å; Y435-T439 PolarHBondContact O-OG1 3.16Å; Y435-T439 VanDerWaalsContact O-OG1 3.08Å; W436-T439 PolarHBondContact O-N 2.93Å; W436-T439 VanDerWaalsContact O-N 3.11Å; W436-T439 PolarHBondContact O-OG1 3.08Å; W436-T439 VanDerWaalsContact O-OG1 3.07Å; T439-L443 WeakPolarHBondContact O-CB 3.48Å; T439-L445 VanDerWaalsContact O-CB 3.3Å; T439-L445 WeakPolarHBondContact O-CB 3.45Å; T439-L445 PolarHBondContact O-N 3.25Å; T439-F454 HydrophobicContact CG2-CD2 3.81Å; T439-F454 HydrophobicContact CG2-CE2 3.83Å; T439-F497 HydrophobicContact CG2-CE2 3.8Å; T439-F497 HydrophobicContact CG2-CZ 3.49Å; T439-F497 VanDerWaalsContact CG2-CZ 3.49Å; T439-P515 HydrophobicContact CG2-CB 4.37Å; T439-P515 HydrophobicContact CG2-CG 4.07Å
440	N	98.1	Very high	97.2	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-102.1	-51.5	-169.6	-170.9	-99.8	0	0	0	114.4	W436 V442 N444 L445 T446 N480	W436-N440 HydrophobicContact CD2-CB 3.9Å; W436-N440 HydrophobicContact CE3-CB 4.25Å; W436-N440 HydrophobicContact CG-CB 4.48Å; W436-N440 HydrophobicContact CH2-CB 4.06Å; W436-N440 HydrophobicContact CZ2-CB 3.63Å; W436-N440 WeakPolarHBondContact CZ2-OD1 3.32Å; W436-N440 HydrophobicContact CZ3-CB 4.34Å; W436-N440 WeakPolarHBondContact O-CB 3.4Å; W436-N440 PolarHBondContact O-N 2.79Å; N440-V442 PolarHBondContact O-N 3.3Å; N440-N444 VanDerWaalsContact O-CA 3.24Å; N440-N444 WeakPolarHBondContact O-CA 3.44Å; N440-N444 PolarHBondContact O-N 3.37Å; N440-L445 PolarHBondContact ND2-O 3.14Å; N440-T446 WeakPolarHBondContact ND2-CG2 3.21Å; N440-N480 PolarHBondContact OD1-ND2 2.86Å
441	D	97.5	Very high	97.2	Very high	20 Å²	20	34.6 Å²	34.6	11%	0.107	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	-162.4	-67	-4.7	0	0	0	113.7	Y437 N480 A481 R485	Y437-D441 WeakPolarHBondContact CB-OD2 3.48Å; Y437-D441 WeakPolarHBondContact CD1-OD2 3.34Å; Y437-D441 WeakPolarHBondContact O-CB 3.39Å; Y437-D441 PolarHBondContact O-N 2.96Å; D441-N480 HydrophobicContact CB-CB 4.26Å; D441-A481 HydrophobicContact CB-CB 4.33Å; D441-R485 HydrophobicContact CB-CG 4.13Å; D441-R485 IonicContact OD2-NE 3.44Å
442	V	98	Very high	97.2	Very high	14 Å²	14	42 Å²	42	9%	0.085	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-40.8	-179.8	180	0	0	0	0	112.4	N440 F461 F478 A481 R485 I486 Q489	N440-V442 PolarHBondContact O-N 3.3Å; V442-F461 HydrophobicContact CG1-CD1 4.36Å; V442-F461 HydrophobicContact CG1-CD2 3.46Å; V442-F461 VanDerWaalsContact CG1-CD2 3.46Å; V442-F461 HydrophobicContact CG1-CE1 4.2Å; V442-F461 HydrophobicContact CG1-CE2 3.23Å; V442-F461 HydrophobicContact CG1-CG 4.03Å; V442-F461 HydrophobicContact CG1-CZ 3.64Å; V442-F478 HydrophobicContact CG1-CD1 4.03Å; V442-F478 HydrophobicContact CG1-CE1 3.86Å; V442-A481 HydrophobicContact CG2-CB 3.99Å; V442-R485 HydrophobicContact CG2-CG 3.87Å; V442-I486 HydrophobicContact CG2-CG2 4.27Å; V442-Q489 HydrophobicContact CB-CG 3.88Å; V442-Q489 HydrophobicContact CG1-CG 3.99Å; V442-Q489 HydrophobicContact CG2-CB 4.24Å; V442-Q489 HydrophobicContact CG2-CG 3.97Å
443	L	98	Very high	97.3	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.126	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.7	-174.3	-49.1	178.9	0	0	0	113	S438 T439 L445 F454 A458 F461	S438-L443 WeakPolarHBondContact O-CD1 3.48Å; T439-L443 WeakPolarHBondContact O-CB 3.48Å; L443-L445 HydrophobicContact CB-CD1 4.2Å; L443-L445 HydrophobicContact CB-CG 3.97Å; L443-L445 HydrophobicContact CD1-CD1 4.39Å; L443-L445 PolarHBondContact O-N 2.95Å; L443-L445 VanDerWaalsContact O-N 3.11Å; L443-F454 HydrophobicContact CD1-CD2 4.1Å; L443-F454 HydrophobicContact CD1-CE2 3.87Å; L443-A458 HydrophobicContact CD1-CB 4.12Å; L443-F461 HydrophobicContact CD2-CB 3.77Å; L443-F461 HydrophobicContact CD2-CG 4.22Å
444	N	96.9	Very high	97.4	Very high	124 Å²	124	44.8 Å²	44.8	66%	0.663	25%	0.25	S	S	*	.			trans	54.2	27.5	179.7	-164.9	48	0	0	0	114.1	N440	N440-N444 VanDerWaalsContact O-CA 3.24Å; N440-N444 WeakPolarHBondContact O-CA 3.44Å; N440-N444 PolarHBondContact O-N 3.37Å
445	L	97.7	Very high	97.5	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.209	26%	0.26	C	S	.	.			trans	-79.1	141.7	174.4	-54.4	176.6	0	0	0	109.1	T439 N440 L443 V453 F454	T439-L445 VanDerWaalsContact O-CB 3.3Å; T439-L445 WeakPolarHBondContact O-CB 3.45Å; T439-L445 PolarHBondContact O-N 3.25Å; N440-L445 PolarHBondContact ND2-O 3.14Å; L443-L445 HydrophobicContact CB-CD1 4.2Å; L443-L445 HydrophobicContact CB-CG 3.97Å; L443-L445 HydrophobicContact CD1-CD1 4.39Å; L443-L445 PolarHBondContact O-N 2.95Å; L443-L445 VanDerWaalsContact O-N 3.11Å; L445-V453 HydrophobicContact CD2-CG1 3.87Å; L445-F454 HydrophobicContact CD1-CB 4.23Å; L445-F454 HydrophobicContact CD1-CD2 4Å
446	T	94.4	Very high	97.5	Very high	105 Å²	105	52.6 Å²	52.6	64%	0.644	29%	0.285	S	S	*	.			trans	-140.1	162.7	-179.8	61.3	0	0	0	0	110.2	N440	N440-T446 WeakPolarHBondContact ND2-CG2 3.21Å
447	G	93.5	Very high	97.5	Very high	53 Å²	53	52.1 Å²	52.1	55%	0.546	29%	0.288	S	S	.	.	S	Bend	trans	81.3	-154.7	-178.9	0	0	0	0	0	113.1
448	A	96.3	Very high	97.6	Very high	53 Å²	53	48.4 Å²	48.4	44%	0.438	27%	0.274	S	S	.	.	S	Bend	trans	-65.4	145.4	178	0	0	0	0	0	110.8
449	Y	97.9	Very high	97.6	Very high	12 Å²	12	49 Å²	49	5%	0.047	28%	0.278	C	S	.	.			trans	-66.2	131.8	174.8	171.3	-108.7	0	0	0	111	H451 F454 F497 L500 H501 I510 F513	Y449-H451 HydrophobicContact CE1-CB 4.03Å; Y449-H451 WeakPolarHBondContact OH-CA 3.42Å; Y449-H451 PolarHBondContact OH-ND1 3.08Å; Y449-F454 HydrophobicContact CD2-CB 4.17Å; Y449-F454 HydrophobicContact CD2-CG 4.44Å; Y449-F454 HydrophobicContact CE2-CB 3.5Å; Y449-F454 AromaticContact CE2-CD1 3.85Å; Y449-F454 HydrophobicContact CE2-CD1 3.85Å; Y449-F454 HydrophobicContact CE2-CD2 4.38Å; Y449-F454 AromaticContact CE2-CG 3.64Å; Y449-F454 HydrophobicContact CE2-CG 3.64Å; Y449-F497 HydrophobicContact CD1-CE1 4.36Å; Y449-F497 HydrophobicContact CD2-CD1 4.13Å; Y449-F497 AromaticContact CD2-CE1 3.3Å; Y449-F497 HydrophobicContact CD2-CE1 3.3Å; Y449-F497 AromaticContact CD2-CZ 3.81Å; Y449-F497 HydrophobicContact CD2-CZ 3.81Å; Y449-F497 HydrophobicContact CE1-CD1 4.18Å; Y449-F497 HydrophobicContact CE1-CE1 4.14Å; Y449-F497 AromaticContact CE2-CD1 3.39Å; Y449-F497 HydrophobicContact CE2-CD1 3.39Å; Y449-F497 AromaticContact CE2-CE1 3.02Å; Y449-F497 HydrophobicContact CE2-CE1 3.02Å; Y449-F497 HydrophobicContact CE2-CG 4.33Å; Y449-F497 AromaticContact CE2-CZ 3.7Å; Y449-F497 HydrophobicContact CE2-CZ 3.7Å; Y449-F497 AromaticContact CG-CE1 3.97Å; Y449-F497 HydrophobicContact CG-CE1 3.97Å; Y449-F497 AromaticContact CZ-CD1 3.4Å; Y449-F497 VanDerWaalsContact CZ-CD1 3.4Å; Y449-F497 AromaticContact CZ-CE1 3.48Å; Y449-F497 VanDerWaalsContact CZ-CE1 3.48Å; Y449-F497 WeakPolarHBondContact OH-CD1 3.33Å; Y449-L500 HydrophobicContact CD1-CD2 4.47Å; Y449-L500 HydrophobicContact CE1-CD2 4.27Å; Y449-H501 AromaticContact CE1-CE1 3.79Å; Y449-H501 AromaticContact CE1-NE2 3.58Å; Y449-H501 AromaticContact CZ-NE2 3.69Å; Y449-H501 PolarHBondContact OH-NE2 3.5Å; Y449-H501 VanDerWaalsContact OH-NE2 3.08Å; Y449-I510 HydrophobicContact CD1-CG2 4.17Å; Y449-I510 HydrophobicContact CE1-CG2 4.49Å; Y449-F513 WeakPolarHBondContact CB-O 3.39Å; Y449-F513 HydrophobicContact CD1-CD1 4.15Å; Y449-F513 AromaticContact CG-CD1 3.96Å; Y449-F513 HydrophobicContact CG-CD1 3.96Å; Y449-F513 PolarHBondContact N-O 3.49Å
450	D	97.8	Very high	97.6	Very high	82 Å²	82	52.1 Å²	52.1	44%	0.439	29%	0.294	S	S	.	.			trans	-122.7	122.6	169.4	-179.2	-57	0	0	0	108.2	E452 V453 F454	D450-E452 PolarHBondContact OD1-N 2.94Å; D450-V453 HydrophobicContact CB-CB 4.04Å; D450-V453 HydrophobicContact CB-CG2 4.08Å; D450-V453 WeakPolarHBondContact OD1-CG2 3.41Å; D450-V453 PolarHBondContact OD1-N 3.28Å; D450-F454 WeakPolarHBondContact O-CB 3.19Å; D450-F454 PolarHBondContact O-N 3.11Å
451	H	97.7	Very high	97.6	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.171	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-45.2	-174.2	-178.5	78.3	0	0	0	113.1	Y449 F454 E455 H501 V508	Y449-H451 HydrophobicContact CE1-CB 4.03Å; Y449-H451 WeakPolarHBondContact OH-CA 3.42Å; Y449-H451 PolarHBondContact OH-ND1 3.08Å; H451-F454 PolarHBondContact O-N 3.13Å; H451-E455 IonicContact NE2-OE2 2.71Å; H451-E455 VanDerWaalsContact O-CB 3.23Å; H451-E455 WeakPolarHBondContact O-CB 3.5Å; H451-E455 PolarHBondContact O-N 3.49Å; H451-H501 AromaticContact ND1-CD2 3.94Å; H451-H501 AromaticContact ND1-NE2 3.46Å; H451-H501 PolarHBondContact ND1-NE2 2.04Å; H451-V508 HydrophobicContact CB-CG1 4.11Å; H451-V508 WeakPolarHBondContact CB-O 3.4Å; H451-V508 WeakPolarHBondContact CD2-CG1 3.47Å
452	E	97.8	Very high	97.6	Very high	155 Å²	155	51.2 Å²	51.2	72%	0.724	29%	0.289	S	S	*	.	H	α-helix	trans	-68.7	-44.1	-176.1	-64.3	-176.9	179.7	0	0	110.4	D450 K456	D450-E452 PolarHBondContact OD1-N 2.94Å; E452-K456 WeakPolarHBondContact O-CB 3.24Å; E452-K456 PolarHBondContact O-N 3.42Å
453	V	98.2	Very high	97.6	Very high	72 Å²	72	53.9 Å²	53.9	44%	0.436	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-44.3	177.1	176.4	0	0	0	0	110.9	L445 D450 S457	L445-V453 HydrophobicContact CD2-CG1 3.87Å; D450-V453 HydrophobicContact CB-CB 4.04Å; D450-V453 HydrophobicContact CB-CG2 4.08Å; D450-V453 WeakPolarHBondContact OD1-CG2 3.41Å; D450-V453 PolarHBondContact OD1-N 3.28Å; V453-S457 VanDerWaalsContact O-CB 3.31Å; V453-S457 WeakPolarHBondContact O-CB 3.06Å; V453-S457 PolarHBondContact O-N 2.9Å; V453-S457 PolarHBondContact O-OG 3.11Å
454	F	98.5	Very high	97.6	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-50.9	179.1	173.5	-99.4	0	0	0	112.1	Y390 T439 L443 L445 Y449 D450 H451 K456 S457 A458 A493 F497	Y390-F454 WeakPolarHBondContact OH-CE1 2.98Å; T439-F454 HydrophobicContact CG2-CD2 3.81Å; T439-F454 HydrophobicContact CG2-CE2 3.83Å; L443-F454 HydrophobicContact CD1-CD2 4.1Å; L443-F454 HydrophobicContact CD1-CE2 3.87Å; L445-F454 HydrophobicContact CD1-CB 4.23Å; L445-F454 HydrophobicContact CD1-CD2 4Å; Y449-F454 HydrophobicContact CD2-CB 4.17Å; Y449-F454 HydrophobicContact CD2-CG 4.44Å; Y449-F454 HydrophobicContact CE2-CB 3.5Å; Y449-F454 AromaticContact CE2-CD1 3.85Å; Y449-F454 HydrophobicContact CE2-CD1 3.85Å; Y449-F454 HydrophobicContact CE2-CD2 4.38Å; Y449-F454 AromaticContact CE2-CG 3.64Å; Y449-F454 HydrophobicContact CE2-CG 3.64Å; D450-F454 WeakPolarHBondContact O-CB 3.19Å; D450-F454 PolarHBondContact O-N 3.11Å; H451-F454 PolarHBondContact O-N 3.13Å; F454-K456 VanDerWaalsContact C-N 3.3Å; F454-K456 PolarHBondContact O-N 3.22Å; F454-S457 PolarHBondContact O-N 3.4Å; F454-A458 HydrophobicContact CZ-CB 4.42Å; F454-A458 WeakPolarHBondContact O-CB 3.49Å; F454-A458 PolarHBondContact O-N 2.87Å; F454-A493 HydrophobicContact CE2-CB 4.44Å; F454-A493 HydrophobicContact CZ-CB 3.78Å; F454-F497 HydrophobicContact CD1-CD1 4.4Å; F454-F497 HydrophobicContact CD1-CD2 4.02Å; F454-F497 HydrophobicContact CD1-CE2 4.3Å; F454-F497 HydrophobicContact CD1-CG 4.05Å; F454-F497 HydrophobicContact CD2-CE2 4.09Å; F454-F497 HydrophobicContact CD2-CZ 4.36Å; F454-F497 HydrophobicContact CE1-CB 3.91Å; F454-F497 HydrophobicContact CE1-CD1 4.25Å; F454-F497 AromaticContact CE1-CD2 3.17Å; F454-F497 HydrophobicContact CE1-CD2 3.17Å; F454-F497 AromaticContact CE1-CE2 3.68Å; F454-F497 HydrophobicContact CE1-CE2 3.68Å; F454-F497 AromaticContact CE1-CG 3.48Å; F454-F497 HydrophobicContact CE1-CG 3.48Å; F454-F497 VanDerWaalsContact CE1-CG 3.48Å; F454-F497 HydrophobicContact CE1-CZ 4.41Å; F454-F497 AromaticContact CE2-CD2 3.82Å; F454-F497 HydrophobicContact CE2-CD2 3.82Å; F454-F497 AromaticContact CE2-CE2 3.43Å; F454-F497 HydrophobicContact CE2-CE2 3.43Å; F454-F497 VanDerWaalsContact CE2-CE2 3.43Å; F454-F497 HydrophobicContact CE2-CZ 4.13Å; F454-F497 HydrophobicContact CG-CE2 4.48Å; F454-F497 AromaticContact CZ-CD2 3.04Å; F454-F497 HydrophobicContact CZ-CD2 3.04Å; F454-F497 AromaticContact CZ-CE2 3.19Å; F454-F497 HydrophobicContact CZ-CE2 3.19Å; F454-F497 AromaticContact CZ-CG 3.87Å; F454-F497 HydrophobicContact CZ-CG 3.87Å; F454-F497 HydrophobicContact CZ-CZ 4.15Å
455	E	98.2	Very high	97.7	Very high	50 Å²	50	53.2 Å²	53.2	23%	0.234	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-44.9	-179.6	176.6	170.5	-140.2	0	0	110.7	Y390 H391 H451 A458 S459	Y390-E455 HydrophobicContact CD1-CG 4.4Å; Y390-E455 HydrophobicContact CE1-CG 4Å; H391-E455 VanDerWaalsContact CE1-CD 3.43Å; H391-E455 IonicContact CE1-OE1 2.75Å; H391-E455 PolarHBondContact CE1-OE1 2.86Å; H391-E455 IonicContact ND1-OE1 3.2Å; H391-E455 PolarHBondContact ND1-OE1 3.48Å; H451-E455 IonicContact NE2-OE2 2.71Å; H451-E455 VanDerWaalsContact O-CB 3.23Å; H451-E455 WeakPolarHBondContact O-CB 3.5Å; H451-E455 PolarHBondContact O-N 3.49Å; E455-A458 PolarHBondContact O-N 3.33Å; E455-S459 WeakPolarHBondContact O-CB 3.13Å; E455-S459 PolarHBondContact O-N 2.03Å
456	K	98.6	Very high	97.7	Very high	120 Å²	120	53 Å²	53	52%	0.522	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-48.6	176.5	-178.8	55.1	175.6	156.1	0	111.8	E452 F454 A458 S459 D460	E452-K456 WeakPolarHBondContact O-CB 3.24Å; E452-K456 PolarHBondContact O-N 3.42Å; F454-K456 VanDerWaalsContact C-N 3.3Å; F454-K456 PolarHBondContact O-N 3.22Å; K456-A458 PolarHBondContact O-N 3.18Å; K456-S459 PolarHBondContact O-N 2.91Å; K456-D460 WeakPolarHBondContact CE-OD1 3.33Å; K456-D460 WeakPolarHBondContact CE-OD2 3.46Å; K456-D460 IonicContact NZ-OD1 3.62Å; K456-D460 PolarHBondContact NZ-OD1 3.13Å; K456-D460 IonicContact NZ-OD2 2.72Å; K456-D460 PolarHBondContact NZ-OD2 3.25Å; K456-D460 WeakPolarHBondContact O-CB 3.44Å; K456-D460 VanDerWaalsContact O-CG 3.27Å; K456-D460 PolarHBondContact O-N 2.63Å
457	S	98.5	Very high	97.9	Very high	33 Å²	33	52.2 Å²	52.2	23%	0.231	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-42.1	-179.1	-59.2	0	0	0	0	112.4	V453 F454 F461	V453-S457 VanDerWaalsContact O-CB 3.31Å; V453-S457 WeakPolarHBondContact O-CB 3.06Å; V453-S457 PolarHBondContact O-N 2.9Å; V453-S457 PolarHBondContact O-OG 3.11Å; F454-S457 PolarHBondContact O-N 3.4Å; S457-F461 WeakPolarHBondContact O-CB 3.37Å; S457-F461 PolarHBondContact O-N 3.27Å
458	A	98.7	Very high	98.1	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-44.6	177	0	0	0	0	0	111.2	Y390 L443 F454 E455 K456 F461 C462 A493	Y390-A458 HydrophobicContact CD2-CB 3.89Å; Y390-A458 HydrophobicContact CE1-CB 4.28Å; Y390-A458 HydrophobicContact CE2-CB 3.51Å; Y390-A458 HydrophobicContact CG-CB 4.41Å; L443-A458 HydrophobicContact CD1-CB 4.12Å; F454-A458 HydrophobicContact CZ-CB 4.42Å; F454-A458 WeakPolarHBondContact O-CB 3.49Å; F454-A458 PolarHBondContact O-N 2.87Å; E455-A458 PolarHBondContact O-N 3.33Å; K456-A458 PolarHBondContact O-N 3.18Å; A458-F461 PolarHBondContact O-N 3.39Å; A458-C462 WeakPolarHBondContact O-CB 3.42Å; A458-C462 PolarHBondContact O-N 2.79Å; A458-C462 PolarHBondContact O-SG 3.04Å; A458-A493 HydrophobicContact CB-CB 4.41Å
459	S	98.6	Very high	98.2	Very high	12 Å²	12	49.7 Å²	49.7	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-46.3	176.6	-169.7	0	0	0	0	112.1	E455 K456 F461 C462 N463	E455-S459 WeakPolarHBondContact O-CB 3.13Å; E455-S459 PolarHBondContact O-N 2.03Å; K456-S459 PolarHBondContact O-N 2.91Å; S459-F461 PolarHBondContact O-N 2.87Å; S459-C462 PolarHBondContact O-N 2.88Å; S459-N463 WeakPolarHBondContact O-CB 3.14Å; S459-N463 PolarHBondContact O-N 3.42Å; S459-N463 PolarHBondContact O-ND2 2.62Å
460	D	98.4	Very high	98.2	Very high	72 Å²	72	53.5 Å²	53.5	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-42.8	178.5	-73.2	-13.5	0	0	0	111.7	K456 N463	K456-D460 WeakPolarHBondContact CE-OD1 3.33Å; K456-D460 WeakPolarHBondContact CE-OD2 3.46Å; K456-D460 IonicContact NZ-OD1 3.62Å; K456-D460 PolarHBondContact NZ-OD1 3.13Å; K456-D460 IonicContact NZ-OD2 2.72Å; K456-D460 PolarHBondContact NZ-OD2 3.25Å; K456-D460 WeakPolarHBondContact O-CB 3.44Å; K456-D460 VanDerWaalsContact O-CG 3.27Å; K456-D460 PolarHBondContact O-N 2.63Å; D460-N463 PolarHBondContact O-N 3.44Å
461	F	98.5	Very high	98.2	Very high	13 Å²	13	53 Å²	53	6%	0.057	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-46.3	174.7	175.9	-94.5	0	0	0	112	V442 L443 S457 A458 S459 N463 L464 I469 F478 Q489	V442-F461 HydrophobicContact CG1-CD1 4.36Å; V442-F461 HydrophobicContact CG1-CD2 3.46Å; V442-F461 VanDerWaalsContact CG1-CD2 3.46Å; V442-F461 HydrophobicContact CG1-CE1 4.2Å; V442-F461 HydrophobicContact CG1-CE2 3.23Å; V442-F461 HydrophobicContact CG1-CG 4.03Å; V442-F461 HydrophobicContact CG1-CZ 3.64Å; L443-F461 HydrophobicContact CD2-CB 3.77Å; L443-F461 HydrophobicContact CD2-CG 4.22Å; S457-F461 WeakPolarHBondContact O-CB 3.37Å; S457-F461 PolarHBondContact O-N 3.27Å; A458-F461 PolarHBondContact O-N 3.39Å; S459-F461 PolarHBondContact O-N 2.87Å; F461-N463 VanDerWaalsContact C-N 3.29Å; F461-N463 PolarHBondContact O-N 3.33Å; F461-L464 HydrophobicContact CD2-CD1 4.35Å; F461-L464 WeakPolarHBondContact O-CB 3.08Å; F461-L464 PolarHBondContact O-N 3.1Å; F461-L464 VanDerWaalsContact O-N 3.15Å; F461-I469 HydrophobicContact CE1-CD1 4.31Å; F461-I469 HydrophobicContact CE2-CD1 4.19Å; F461-I469 HydrophobicContact CE2-CG1 4.23Å; F461-I469 HydrophobicContact CE2-CG2 4.19Å; F461-I469 HydrophobicContact CZ-CD1 3.9Å; F461-I469 HydrophobicContact CZ-CG1 4.38Å; F461-I469 HydrophobicContact CZ-CG2 4.08Å; F461-F478 HydrophobicContact CE2-CE1 4.33Å; F461-F478 AromaticContact CE2-CZ 4Å; F461-F478 HydrophobicContact CE2-CZ 4Å; F461-Q489 HydrophobicContact CD1-CB 4.29Å; F461-Q489 HydrophobicContact CD1-CG 3.89Å; F461-Q489 HydrophobicContact CE1-CB 3.66Å; F461-Q489 HydrophobicContact CE1-CG 3.73Å; F461-Q489 HydrophobicContact CZ-CB 4.27Å; F461-Q489 HydrophobicContact CZ-CG 4.39Å
462	C	98.3	Very high	98.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-67.6	-29.7	-177.8	-66.5	0	0	0	0	113.7	G388 A458 S459 L464 C490	G388-C462 WeakPolarHBondContact CA-O 3.48Å; G388-C462 CarbonylContact O-C 3.59Å; G388-C462 WeakPolarHBondContact O-CB 3.36Å; A458-C462 WeakPolarHBondContact O-CB 3.42Å; A458-C462 PolarHBondContact O-N 2.79Å; A458-C462 PolarHBondContact O-SG 3.04Å; S459-C462 PolarHBondContact O-N 2.88Å; C462-L464 PolarHBondContact O-N 3.44Å; C462-C490 WeakPolarHBondContact CA-SG 3.23Å; C462-C490 HydrophobicContact CB-CB 4.13Å; C462-C490 WeakPolarHBondContact CB-SG 3.2Å; C462-C490 WeakPolarHBondContact SG-CA 3.31Å; C462-C490 WeakPolarHBondContact SG-CB 3.38Å; C462-C490 CovalentContact SG-SG 2.04Å; C462-C490 PolarHBondContact SG-SG 2.64Å
463	N	97.8	Very high	98.2	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.5	175	-78.4	-43.8	0	0	0	113.9	R366 G388 S459 D460 F461	R366-N463 VanDerWaalsContact CD-O 3.27Å; R366-N463 WeakPolarHBondContact CD-O 3.43Å; G388-N463 PolarHBondContact O-OD1 3.02Å; S459-N463 WeakPolarHBondContact O-CB 3.14Å; S459-N463 PolarHBondContact O-N 3.42Å; S459-N463 PolarHBondContact O-ND2 2.62Å; D460-N463 PolarHBondContact O-N 3.44Å; F461-N463 VanDerWaalsContact C-N 3.29Å; F461-N463 PolarHBondContact O-N 3.33Å
464	L	98	Very high	98.1	Very high	63 Å²	63	54.7 Å²	54.7	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	-71.2	144.6	173.4	-63.6	174.4	0	0	0	111.3	R366 F461 C462 I469 L472	R366-L464 PolarHBondContact N-O 2.99Å; F461-L464 HydrophobicContact CD2-CD1 4.35Å; F461-L464 WeakPolarHBondContact O-CB 3.08Å; F461-L464 PolarHBondContact O-N 3.1Å; F461-L464 VanDerWaalsContact O-N 3.15Å; C462-L464 PolarHBondContact O-N 3.44Å; L464-I469 HydrophobicContact CB-CD1 3.98Å; L464-I469 HydrophobicContact CB-CG1 3.69Å; L464-I469 HydrophobicContact CD1-CG1 4.1Å; L464-L472 HydrophobicContact CD1-CD1 4.25Å
465	N	98.3	Very high	98.1	Very high	71 Å²	71	60.8 Å²	60.8	38%	0.38	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-68.2	140.8	168.3	-162.5	-62.5	0	0	0	110	R366 T467 S468 I469	R366-N465 CarbonylContact O-C 3.6Å; R366-N465 WeakPolarHBondContact O-CA 3.41Å; N465-T467 PolarHBondContact O-N 3.48Å; N465-T467 PolarHBondContact OD1-N 3.22Å; N465-T467 VanDerWaalsContact OD1-N 3.1Å; N465-T467 PolarHBondContact OD1-OG1 3.24Å; N465-S468 WeakPolarHBondContact O-CA 3.29Å; N465-S468 WeakPolarHBondContact O-CB 3.24Å; N465-S468 PolarHBondContact O-N 3.22Å; N465-I469 PolarHBondContact O-N 3.43Å
466	W	98.1	Very high	98	Very high	36 Å²	36	67 Å²	67	14%	0.136	33%	0.327	C	S	.	.	H	α-helix	trans	-54.8	-35.4	177.7	176.5	-114.1	0	0	0	112.6	R366 L368 S468 I469 W470 I486 R487	R366-W466 PolarHBondContact O-N 3.42Å; L368-W466 HydrophobicContact CB-CB 3.98Å; L368-W466 HydrophobicContact CB-CD2 4.15Å; L368-W466 HydrophobicContact CB-CE3 4.38Å; L368-W466 HydrophobicContact CB-CG 3.94Å; L368-W466 HydrophobicContact CD1-CD2 3.85Å; L368-W466 HydrophobicContact CD1-CE3 4.36Å; L368-W466 HydrophobicContact CD1-CG 4.06Å; L368-W466 HydrophobicContact CD1-CZ2 4.34Å; L368-W466 HydrophobicContact CD2-CE3 4.22Å; L368-W466 HydrophobicContact CD2-CZ3 4.45Å; L368-W466 HydrophobicContact CG-CD2 4.38Å; W466-S468 VanDerWaalsContact C-N 3.31Å; W466-S468 PolarHBondContact O-N 2.89Å; W466-I469 HydrophobicContact CE3-CB 4.16Å; W466-I469 HydrophobicContact CE3-CD1 4.42Å; W466-I469 HydrophobicContact CE3-CG2 4.1Å; W466-I469 HydrophobicContact CZ3-CB 4.43Å; W466-I469 HydrophobicContact CZ3-CG2 3.87Å; W466-I469 PolarHBondContact O-N 2.98Å; W466-W470 HydrophobicContact CH2-CE3 4.33Å; W466-W470 AromaticContact CZ2-CE3 3.9Å; W466-W470 HydrophobicContact CZ2-CE3 3.9Å; W466-W470 HydrophobicContact CZ2-CZ3 4.5Å; W466-W470 VanDerWaalsContact O-CB 3.24Å; W466-W470 WeakPolarHBondContact O-CB 3.42Å; W466-W470 PolarHBondContact O-N 3.29Å; W466-I486 HydrophobicContact CH2-CD1 3.78Å; W466-I486 HydrophobicContact CH2-CG1 3.93Å; W466-I486 HydrophobicContact CZ3-CD1 4.19Å; W466-I486 HydrophobicContact CZ3-CG1 4.13Å; W466-R487 HydrophobicContact CH2-CG 3.45Å; W466-R487 VanDerWaalsContact CH2-CG 3.45Å; W466-R487 HydrophobicContact CZ2-CG 4.1Å; W466-R487 HydrophobicContact CZ3-CG 3.91Å
467	T	97.9	Very high	97.9	Very high	87 Å²	87	67.9 Å²	67.9	53%	0.534	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-37.9	175.4	54.5	0	0	0	0	112.2	N465 T471	N465-T467 PolarHBondContact O-N 3.48Å; N465-T467 PolarHBondContact OD1-N 3.22Å; N465-T467 VanDerWaalsContact OD1-N 3.1Å; N465-T467 PolarHBondContact OD1-OG1 3.24Å; T467-T471 WeakPolarHBondContact O-CB 3.29Å; T467-T471 PolarHBondContact O-N 3.11Å; T467-T471 PolarHBondContact O-OG1 3.48Å
468	S	98	Very high	97.8	Very high	54 Å²	54	67.2 Å²	67.2	38%	0.378	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-46.5	174.2	-55.1	0	0	0	0	111.4	N465 W466 W470 T471 L472	N465-S468 WeakPolarHBondContact O-CA 3.29Å; N465-S468 WeakPolarHBondContact O-CB 3.24Å; N465-S468 PolarHBondContact O-N 3.22Å; W466-S468 VanDerWaalsContact C-N 3.31Å; W466-S468 PolarHBondContact O-N 2.89Å; S468-W470 VanDerWaalsContact C-N 3.28Å; S468-W470 PolarHBondContact O-N 3.21Å; S468-T471 WeakPolarHBondContact O-CB 3.44Å; S468-T471 PolarHBondContact O-N 2.74Å; S468-T471 VanDerWaalsContact O-N 3.15Å; S468-L472 WeakPolarHBondContact O-CG 3.42Å; S468-L472 PolarHBondContact O-N 3Å
469	I	98.2	Very high	97.6	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-44.4	175.6	-64.3	171.4	0	0	0	110.4	P365 F461 L464 N465 W466 T471 L472 F473 F478 I486	P365-I469 HydrophobicContact CB-CD1 3.51Å; P365-I469 HydrophobicContact CG-CD1 3.91Å; F461-I469 HydrophobicContact CE1-CD1 4.31Å; F461-I469 HydrophobicContact CE2-CD1 4.19Å; F461-I469 HydrophobicContact CE2-CG1 4.23Å; F461-I469 HydrophobicContact CE2-CG2 4.19Å; F461-I469 HydrophobicContact CZ-CD1 3.9Å; F461-I469 HydrophobicContact CZ-CG1 4.38Å; F461-I469 HydrophobicContact CZ-CG2 4.08Å; L464-I469 HydrophobicContact CB-CD1 3.98Å; L464-I469 HydrophobicContact CB-CG1 3.69Å; L464-I469 HydrophobicContact CD1-CG1 4.1Å; N465-I469 PolarHBondContact O-N 3.43Å; W466-I469 HydrophobicContact CE3-CB 4.16Å; W466-I469 HydrophobicContact CE3-CD1 4.42Å; W466-I469 HydrophobicContact CE3-CG2 4.1Å; W466-I469 HydrophobicContact CZ3-CB 4.43Å; W466-I469 HydrophobicContact CZ3-CG2 3.87Å; W466-I469 PolarHBondContact O-N 2.98Å; I469-T471 VanDerWaalsContact C-N 3.33Å; I469-T471 PolarHBondContact O-N 3.41Å; I469-L472 PolarHBondContact O-N 3.11Å; I469-F473 WeakPolarHBondContact O-CB 3.36Å; I469-F473 PolarHBondContact O-N 2.85Å; I469-F478 HydrophobicContact CG2-CE2 4.35Å; I469-I486 HydrophobicContact CG2-CB 4.35Å; I469-I486 HydrophobicContact CG2-CD1 4.43Å
470	W	97.7	Very high	97.4	Very high	92 Å²	92	76.5 Å²	76.5	35%	0.348	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.7	-174.9	-115.3	0	0	0	112.2	W466 S468 F473 R474 I483	W466-W470 HydrophobicContact CH2-CE3 4.33Å; W466-W470 AromaticContact CZ2-CE3 3.9Å; W466-W470 HydrophobicContact CZ2-CE3 3.9Å; W466-W470 HydrophobicContact CZ2-CZ3 4.5Å; W466-W470 VanDerWaalsContact O-CB 3.24Å; W466-W470 WeakPolarHBondContact O-CB 3.42Å; W466-W470 PolarHBondContact O-N 3.29Å; S468-W470 VanDerWaalsContact C-N 3.28Å; S468-W470 PolarHBondContact O-N 3.21Å; W470-F473 HydrophobicContact CE3-CD1 4.13Å; W470-F473 HydrophobicContact CH2-CD1 4.4Å; W470-F473 HydrophobicContact CH2-CE1 4.49Å; W470-F473 AromaticContact CZ3-CD1 3.83Å; W470-F473 HydrophobicContact CZ3-CD1 3.83Å; W470-F473 HydrophobicContact CZ3-CE1 4.14Å; W470-F473 PolarHBondContact O-N 2.98Å; W470-R474 WeakPolarHBondContact O-CG 3.29Å; W470-R474 PolarHBondContact O-N 3.44Å; W470-I483 HydrophobicContact CH2-CD1 3.77Å; W470-I483 HydrophobicContact CZ3-CD1 3.47Å; W470-I483 VanDerWaalsContact CZ3-CD1 3.47Å; W470-I483 HydrophobicContact CZ3-CG1 3.96Å
471	T	98.1	Very high	97.3	Very high	70 Å²	70	73.7 Å²	73.7	43%	0.429	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-48	175.5	-59.8	0	0	0	0	110.8	T467 S468 I469 F473 R474 H475	T467-T471 WeakPolarHBondContact O-CB 3.29Å; T467-T471 PolarHBondContact O-N 3.11Å; T467-T471 PolarHBondContact O-OG1 3.48Å; S468-T471 WeakPolarHBondContact O-CB 3.44Å; S468-T471 PolarHBondContact O-N 2.74Å; S468-T471 VanDerWaalsContact O-N 3.15Å; I469-T471 VanDerWaalsContact C-N 3.33Å; I469-T471 PolarHBondContact O-N 3.41Å; T471-F473 VanDerWaalsContact C-N 3.32Å; T471-F473 PolarHBondContact O-N 2.02Å; T471-R474 PolarHBondContact O-N 3.31Å; T471-H475 PolarHBondContact O-CD2 3.34Å; T471-H475 PolarHBondContact O-N 3.06Å
472	L	97.7	Very high	97.1	Very high	63 Å²	63	77.7 Å²	77.7	33%	0.33	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-42.7	175.7	-68.4	171.8	0	0	0	112.1	L464 S468 I469 H475 K476 K477 F478	L464-L472 HydrophobicContact CD1-CD1 4.25Å; S468-L472 WeakPolarHBondContact O-CG 3.42Å; S468-L472 PolarHBondContact O-N 3Å; I469-L472 PolarHBondContact O-N 3.11Å; L472-H475 CarbonylContact O-C 3.54Å; L472-H475 PolarHBondContact O-N 3.15Å; L472-K476 PolarHBondContact O-N 2.83Å; L472-K477 HydrophobicContact CB-CB 4.15Å; L472-K477 HydrophobicContact CB-CG 4.33Å; L472-K477 HydrophobicContact CD2-CG 4.03Å; L472-K477 VanDerWaalsContact O-CB 3.31Å; L472-K477 WeakPolarHBondContact O-CB 3.3Å; L472-K477 WeakPolarHBondContact O-CG 3.01Å; L472-K477 PolarHBondContact O-N 3.34Å; L472-F478 HydrophobicContact CB-CE2 3.7Å; L472-F478 HydrophobicContact CB-CZ 3.98Å; L472-F478 HydrophobicContact CD1-CZ 4.18Å
473	F	97.6	Very high	97	Very high	53 Å²	53	80.4 Å²	80.4	23%	0.232	40%	0.4	C	S	.	.	H	α-helix	trans	-61	-47	176.2	178.6	-105	0	0	0	112.1	I469 W470 T471 H475 K476 F478 A481 I486	I469-F473 WeakPolarHBondContact O-CB 3.36Å; I469-F473 PolarHBondContact O-N 2.85Å; W470-F473 HydrophobicContact CE3-CD1 4.13Å; W470-F473 HydrophobicContact CH2-CD1 4.4Å; W470-F473 HydrophobicContact CH2-CE1 4.49Å; W470-F473 AromaticContact CZ3-CD1 3.83Å; W470-F473 HydrophobicContact CZ3-CD1 3.83Å; W470-F473 HydrophobicContact CZ3-CE1 4.14Å; W470-F473 PolarHBondContact O-N 2.98Å; T471-F473 VanDerWaalsContact C-N 3.32Å; T471-F473 PolarHBondContact O-N 2.02Å; F473-H475 PolarHBondContact O-N 3.34Å; F473-K476 PolarHBondContact O-N 3.48Å; F473-F478 HydrophobicContact CB-CD2 4.08Å; F473-F478 HydrophobicContact CB-CE2 4.42Å; F473-F478 HydrophobicContact CD2-CD2 4.31Å; F473-A481 WeakPolarHBondContact CE2-O 3.37Å; F473-I486 HydrophobicContact CB-CD1 3.83Å; F473-I486 HydrophobicContact CD1-CD1 4.16Å; F473-I486 HydrophobicContact CD2-CD1 3.72Å; F473-I486 HydrophobicContact CD2-CG2 4.29Å; F473-I486 HydrophobicContact CE2-CD1 4.31Å; F473-I486 HydrophobicContact CG-CD1 3.63Å
474	R	97.2	Very high	96.8	Very high	185 Å²	185	79.5 Å²	79.5	70%	0.698	40%	0.403	S	S	*	.	H	α-helix	trans	-61.3	-31	175.8	-71.8	-178.9	68.3	-171.3	2.3	112.8	W470 T471 K476	W470-R474 WeakPolarHBondContact O-CG 3.29Å; W470-R474 PolarHBondContact O-N 3.44Å; T471-R474 PolarHBondContact O-N 3.31Å; R474-K476 PolarHBondContact O-N 3.12Å
475	H	97.7	Very high	96.7	Very high	129 Å²	129	77.5 Å²	77.5	60%	0.597	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	16.4	173.1	-70.3	-64.8	0	0	0	114	T471 L472 F473 K477	T471-H475 PolarHBondContact O-CD2 3.34Å; T471-H475 PolarHBondContact O-N 3.06Å; L472-H475 CarbonylContact O-C 3.54Å; L472-H475 PolarHBondContact O-N 3.15Å; F473-H475 PolarHBondContact O-N 3.34Å; H475-K477 HydrophobicContact CB-CG 4.35Å; H475-K477 PolarHBondContact O-N 2.93Å
476	K	95.8	Very high	96.7	Very high	182 Å²	182	74.1 Å²	74.1	79%	0.791	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33	177	-57.1	-176.2	177.8	-178.6	0	113.6	L472 F473 R474 F478	L472-K476 PolarHBondContact O-N 2.83Å; F473-K476 PolarHBondContact O-N 3.48Å; R474-K476 PolarHBondContact O-N 3.12Å; K476-F478 VanDerWaalsContact C-N 3.26Å; K476-F478 PolarHBondContact O-N 2.99Å
477	K	96.4	Very high	96.6	Very high	137 Å²	137	76.9 Å²	76.9	60%	0.596	38%	0.383	S	S	*	.			trans	-76.4	-10.5	177.3	-63.8	-61.9	-174.2	-179.7	0	114.2	L472 H475	L472-K477 HydrophobicContact CB-CB 4.15Å; L472-K477 HydrophobicContact CB-CG 4.33Å; L472-K477 HydrophobicContact CD2-CG 4.03Å; L472-K477 VanDerWaalsContact O-CB 3.31Å; L472-K477 WeakPolarHBondContact O-CB 3.3Å; L472-K477 WeakPolarHBondContact O-CG 3.01Å; L472-K477 PolarHBondContact O-N 3.34Å; H475-K477 HydrophobicContact CB-CG 4.35Å; H475-K477 PolarHBondContact O-N 2.93Å
478	F	96.3	Very high	96.5	Very high	20 Å²	20	74 Å²	74	9%	0.088	37%	0.365	C	S	.	.			trans	-123.9	72.5	176	-47.2	-65.3	0	0	0	110.1	V442 F461 I469 L472 F473 K476 N480 A481 I486	V442-F478 HydrophobicContact CG1-CD1 4.03Å; V442-F478 HydrophobicContact CG1-CE1 3.86Å; F461-F478 HydrophobicContact CE2-CE1 4.33Å; F461-F478 AromaticContact CE2-CZ 4Å; F461-F478 HydrophobicContact CE2-CZ 4Å; I469-F478 HydrophobicContact CG2-CE2 4.35Å; L472-F478 HydrophobicContact CB-CE2 3.7Å; L472-F478 HydrophobicContact CB-CZ 3.98Å; L472-F478 HydrophobicContact CD1-CZ 4.18Å; F473-F478 HydrophobicContact CB-CD2 4.08Å; F473-F478 HydrophobicContact CB-CE2 4.42Å; F473-F478 HydrophobicContact CD2-CD2 4.31Å; K476-F478 VanDerWaalsContact C-N 3.26Å; K476-F478 PolarHBondContact O-N 2.99Å; F478-N480 PolarHBondContact O-N 3.11Å; F478-A481 HydrophobicContact CB-CB 3.82Å; F478-A481 PolarHBondContact O-N 2.85Å; F478-I486 HydrophobicContact CB-CG2 4.43Å; F478-I486 HydrophobicContact CD2-CG2 3.93Å; F478-I486 HydrophobicContact CE2-CG2 4.5Å; F478-I486 HydrophobicContact CG-CG2 4.27Å
479	P	95.3	Very high	96.5	Very high	110 Å²	110	71.5 Å²	71.5	71%	0.714	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-172.4	26	-35.2	0	0	0	113.8
480	N	94.2	Very high	96.5	Very high	99 Å²	99	71.5 Å²	71.5	53%	0.529	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.5	-178.2	-62.3	-23.2	0	0	0	113.2	N440 D441 F478	N440-N480 PolarHBondContact OD1-ND2 2.86Å; D441-N480 HydrophobicContact CB-CB 4.26Å; F478-N480 PolarHBondContact O-N 3.11Å
481	A	96.2	Very high	96.6	Very high	13 Å²	13	67.3 Å²	67.3	11%	0.107	33%	0.332	C	S	.	.			trans	-112.9	138.3	-176.3	0	0	0	0	0	111.5	D441 V442 F473 F478 R485 I486	D441-A481 HydrophobicContact CB-CB 4.33Å; V442-A481 HydrophobicContact CG2-CB 3.99Å; F473-A481 WeakPolarHBondContact CE2-O 3.37Å; F478-A481 HydrophobicContact CB-CB 3.82Å; F478-A481 PolarHBondContact O-N 2.85Å; A481-R485 HydrophobicContact CB-CB 3.99Å; A481-R485 HydrophobicContact CB-CG 3.52Å; A481-I486 HydrophobicContact CB-CG2 3.91Å
482	D	94.8	Very high	96.6	Very high	97 Å²	97	64.9 Å²	64.9	52%	0.519	32%	0.315	S	S	.	.			trans	-91.5	-180	165.3	69	17.1	0	0	0	111.5	A484 R485 I486	D482-A484 PolarHBondContact O-N 3Å; D482-A484 WeakPolarHBondContact OD1-CA 3.4Å; D482-A484 WeakPolarHBondContact OD1-CB 3.3Å; D482-A484 PolarHBondContact OD1-N 3.03Å; D482-R485 PolarHBondContact O-N 3.23Å; D482-R485 WeakPolarHBondContact OD1-CB 3.01Å; D482-R485 PolarHBondContact OD1-N 3.45Å; D482-I486 PolarHBondContact O-N 3.4Å; D482-I486 VanDerWaalsContact O-N 3.14Å
483	I	95.1	Very high	96.6	Very high	58 Å²	58	61.9 Å²	61.9	30%	0.297	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-31.3	178.9	-167	169.8	0	0	0	112.8	W470 I486 R487	W470-I483 HydrophobicContact CH2-CD1 3.77Å; W470-I483 HydrophobicContact CZ3-CD1 3.47Å; W470-I483 VanDerWaalsContact CZ3-CD1 3.47Å; W470-I483 HydrophobicContact CZ3-CG1 3.96Å; I483-I486 HydrophobicContact CG1-CD1 4.46Å; I483-I486 VanDerWaalsContact O-CG1 3.32Å; I483-I486 WeakPolarHBondContact O-CG1 2.91Å; I483-R487 WeakPolarHBondContact O-CB 3.33Å; I483-R487 WeakPolarHBondContact O-CD 3.49Å; I483-R487 WeakPolarHBondContact O-CG 3.35Å; I483-R487 PolarHBondContact O-N 2.75Å
484	A	93.9	Very high	96.7	Very high	51 Å²	51	59.4 Å²	59.4	42%	0.421	29%	0.289	S	S	.	.	H	α-helix	trans	-72.4	-41.3	-179.9	0	0	0	0	0	110.7	D482 R487 T488	D482-A484 PolarHBondContact O-N 3Å; D482-A484 WeakPolarHBondContact OD1-CA 3.4Å; D482-A484 WeakPolarHBondContact OD1-CB 3.3Å; D482-A484 PolarHBondContact OD1-N 3.03Å; A484-R487 PolarHBondContact O-N 2.83Å; A484-T488 PolarHBondContact O-N 3.1Å; A484-T488 VanDerWaalsContact O-N 3.13Å; A484-T488 PolarHBondContact O-OG1 3.23Å
485	R	96	Very high	96.7	Very high	20 Å²	20	50.6 Å²	50.6	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-55	173.9	172.4	54.1	60.8	-168.5	-4.4	111.3	E434 Y437 D441 V442 A481 D482 R487 T488 Q489	E434-R485 VanDerWaalsContact CD-NH2 3.32Å; E434-R485 IonicContact OE1-CZ 3.9Å; E434-R485 IonicContact OE1-NH1 3.27Å; E434-R485 PolarHBondContact OE1-NH1 2.97Å; E434-R485 IonicContact OE1-NH2 3.49Å; E434-R485 PolarHBondContact OE1-NH2 2.97Å; E434-R485 IonicContact OE2-CZ 3.61Å; E434-R485 IonicContact OE2-NH1 2.99Å; E434-R485 IonicContact OE2-NH2 3.12Å; E434-R485 PolarHBondContact OE2-NH2 3.24Å; Y437-R485 VanDerWaalsContact CB-CZ 3.41Å; D441-R485 HydrophobicContact CB-CG 4.13Å; D441-R485 IonicContact OD2-NE 3.44Å; V442-R485 HydrophobicContact CG2-CG 3.87Å; A481-R485 HydrophobicContact CB-CB 3.99Å; A481-R485 HydrophobicContact CB-CG 3.52Å; D482-R485 PolarHBondContact O-N 3.23Å; D482-R485 WeakPolarHBondContact OD1-CB 3.01Å; D482-R485 PolarHBondContact OD1-N 3.45Å; R485-R487 PolarHBondContact O-N 2.78Å; R485-T488 PolarHBondContact O-N 3.21Å; R485-T488 VanDerWaalsContact O-N 3.11Å; R485-Q489 WeakPolarHBondContact O-CB 3.29Å; R485-Q489 PolarHBondContact O-N 2.75Å
486	I	97.5	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-30.7	-179.2	64.8	176.7	0	0	0	113.1	V442 W466 I469 F473 F478 A481 D482 I483	V442-I486 HydrophobicContact CG2-CG2 4.27Å; W466-I486 HydrophobicContact CH2-CD1 3.78Å; W466-I486 HydrophobicContact CH2-CG1 3.93Å; W466-I486 HydrophobicContact CZ3-CD1 4.19Å; W466-I486 HydrophobicContact CZ3-CG1 4.13Å; I469-I486 HydrophobicContact CG2-CB 4.35Å; I469-I486 HydrophobicContact CG2-CD1 4.43Å; F473-I486 HydrophobicContact CB-CD1 3.83Å; F473-I486 HydrophobicContact CD1-CD1 4.16Å; F473-I486 HydrophobicContact CD2-CD1 3.72Å; F473-I486 HydrophobicContact CD2-CG2 4.29Å; F473-I486 HydrophobicContact CE2-CD1 4.31Å; F473-I486 HydrophobicContact CG-CD1 3.63Å; F478-I486 HydrophobicContact CB-CG2 4.43Å; F478-I486 HydrophobicContact CD2-CG2 3.93Å; F478-I486 HydrophobicContact CE2-CG2 4.5Å; F478-I486 HydrophobicContact CG-CG2 4.27Å; A481-I486 HydrophobicContact CB-CG2 3.91Å; D482-I486 PolarHBondContact O-N 3.4Å; D482-I486 VanDerWaalsContact O-N 3.14Å; I483-I486 HydrophobicContact CG1-CD1 4.46Å; I483-I486 VanDerWaalsContact O-CG1 3.32Å; I483-I486 WeakPolarHBondContact O-CG1 2.91Å
487	R	96.5	Very high	96.9	Very high	95 Å²	95	35.9 Å²	35.9	36%	0.358	19%	0.19	S	C	.	.	H	α-helix	trans	-73.2	-29.2	177.3	-78.6	176.5	171	158.5	-3.3	113.5	L368 W466 I483 A484 R485	L368-R487 HydrophobicContact CD2-CB 4.18Å; L368-R487 HydrophobicContact CD2-CG 4.04Å; W466-R487 HydrophobicContact CH2-CG 3.45Å; W466-R487 VanDerWaalsContact CH2-CG 3.45Å; W466-R487 HydrophobicContact CZ2-CG 4.1Å; W466-R487 HydrophobicContact CZ3-CG 3.91Å; I483-R487 WeakPolarHBondContact O-CB 3.33Å; I483-R487 WeakPolarHBondContact O-CD 3.49Å; I483-R487 WeakPolarHBondContact O-CG 3.35Å; I483-R487 PolarHBondContact O-N 2.75Å; A484-R487 PolarHBondContact O-N 2.83Å; R485-R487 PolarHBondContact O-N 2.78Å
488	T	96.6	Very high	96.9	Very high	26 Å²	26	29.3 Å²	29.3	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-110.1	-2.5	-173.4	55.7	0	0	0	0	113.4	A484 R485 C490 F491 K492	A484-T488 PolarHBondContact O-N 3.1Å; A484-T488 VanDerWaalsContact O-N 3.13Å; A484-T488 PolarHBondContact O-OG1 3.23Å; R485-T488 PolarHBondContact O-N 3.21Å; R485-T488 VanDerWaalsContact O-N 3.11Å; T488-C490 VanDerWaalsContact C-N 3.32Å; T488-C490 PolarHBondContact O-N 3.44Å; T488-F491 PolarHBondContact O-N 2.81Å; T488-K492 WeakPolarHBondContact O-CB 3.49Å; T488-K492 WeakPolarHBondContact O-CG 3.25Å; T488-K492 PolarHBondContact O-N 3.09Å
489	Q	98.3	Very high	96.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-54.1	-44.5	-175.7	177.4	61	18.6	0	0	112.9	S438 V442 F461 R485 K492 A493	S438-Q489 PolarHBondContact O-NE2 3.44Å; V442-Q489 HydrophobicContact CB-CG 3.88Å; V442-Q489 HydrophobicContact CG1-CG 3.99Å; V442-Q489 HydrophobicContact CG2-CB 4.24Å; V442-Q489 HydrophobicContact CG2-CG 3.97Å; F461-Q489 HydrophobicContact CD1-CB 4.29Å; F461-Q489 HydrophobicContact CD1-CG 3.89Å; F461-Q489 HydrophobicContact CE1-CB 3.66Å; F461-Q489 HydrophobicContact CE1-CG 3.73Å; F461-Q489 HydrophobicContact CZ-CB 4.27Å; F461-Q489 HydrophobicContact CZ-CG 4.39Å; R485-Q489 WeakPolarHBondContact O-CB 3.29Å; R485-Q489 PolarHBondContact O-N 2.75Å; Q489-K492 PolarHBondContact O-N 2.8Å; Q489-A493 WeakPolarHBondContact O-CB 3.49Å; Q489-A493 PolarHBondContact O-N 3.21Å
490	C	98.3	Very high	96.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-52.5	179.5	-71.8	0	0	0	0	112.6	C363 C462 T488 A494	C363-C490 WeakPolarHBondContact O-CB 3.13Å; C462-C490 WeakPolarHBondContact CA-SG 3.23Å; C462-C490 HydrophobicContact CB-CB 4.13Å; C462-C490 WeakPolarHBondContact CB-SG 3.2Å; C462-C490 WeakPolarHBondContact SG-CA 3.31Å; C462-C490 WeakPolarHBondContact SG-CB 3.38Å; C462-C490 CovalentContact SG-SG 2.04Å; C462-C490 PolarHBondContact SG-SG 2.64Å; T488-C490 VanDerWaalsContact C-N 3.32Å; T488-C490 PolarHBondContact O-N 3.44Å; C490-A494 WeakPolarHBondContact O-CB 3.38Å; C490-A494 PolarHBondContact O-N 2.79Å; C490-A494 VanDerWaalsContact O-N 3.13Å
491	F	98.4	Very high	96.9	Very high	4 Å²	4	19 Å²	19	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-51.8	175.3	176.2	-90.5	0	0	0	112	A291 V292 Y295 C363 L397 T488 A494 W495	A291-F491 HydrophobicContact CB-CE1 4Å; A291-F491 HydrophobicContact CB-CZ 3.85Å; A291-F491 VanDerWaalsContact O-CZ 3.29Å; A291-F491 WeakPolarHBondContact O-CZ 3.26Å; V292-F491 HydrophobicContact CB-CE1 4.21Å; V292-F491 HydrophobicContact CB-CZ 4.49Å; V292-F491 HydrophobicContact CG2-CD1 3.51Å; V292-F491 HydrophobicContact CG2-CE1 3.41Å; V292-F491 VanDerWaalsContact CG2-CE1 3.41Å; V292-F491 HydrophobicContact CG2-CG 4.31Å; V292-F491 HydrophobicContact CG2-CZ 4.14Å; Y295-F491 VanDerWaalsContact CB-CE2 3.4Å; Y295-F491 AromaticContact CD1-CD2 3.77Å; Y295-F491 HydrophobicContact CD1-CD2 3.77Å; Y295-F491 AromaticContact CD1-CE2 3.67Å; Y295-F491 HydrophobicContact CD1-CE2 3.67Å; Y295-F491 HydrophobicContact CD2-CE2 4.4Å; Y295-F491 HydrophobicContact CE1-CD2 4.3Å; Y295-F491 HydrophobicContact CG-CD2 4.11Å; Y295-F491 AromaticContact CG-CE2 3.57Å; Y295-F491 HydrophobicContact CG-CE2 3.57Å; C363-F491 HydrophobicContact CB-CB 4.04Å; C363-F491 HydrophobicContact CB-CD2 3.95Å; C363-F491 PolarHBondContact O-N 2.71Å; C363-F491 VanDerWaalsContact O-N 3.13Å; L397-F491 HydrophobicContact CD1-CD2 4.24Å; L397-F491 HydrophobicContact CD1-CE2 4.07Å; L397-F491 HydrophobicContact CD2-CD2 4.33Å; L397-F491 HydrophobicContact CD2-CE2 3.61Å; L397-F491 HydrophobicContact CD2-CZ 4.32Å; T488-F491 PolarHBondContact O-N 2.81Å; F491-A494 PolarHBondContact O-N 2.82Å; F491-W495 HydrophobicContact CE1-CB 4.12Å; F491-W495 HydrophobicContact CE1-CG 4.37Å; F491-W495 HydrophobicContact CZ-CB 4.3Å; F491-W495 HydrophobicContact CZ-CG 4.44Å; F491-W495 WeakPolarHBondContact O-CB 3.43Å; F491-W495 PolarHBondContact O-N 2.8Å
492	K	98.4	Very high	96.7	Very high	18 Å²	18	21.9 Å²	21.9	8%	0.078	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-38.5	-172.4	-72.1	-178.1	161.7	-148	0	112.8	A288 N289 E434 S438 T488 Q489 W495 A496	A288-K492 HydrophobicContact CB-CD 4.4Å; A288-K492 HydrophobicContact CB-CG 4.38Å; N289-K492 WeakPolarHBondContact OD1-CE 3.24Å; N289-K492 PolarHBondContact OD1-NZ 2.52Å; E434-K492 HydrophobicContact CG-CB 4.49Å; E434-K492 WeakPolarHBondContact OE2-CD 3.17Å; E434-K492 IonicContact OE2-NZ 3.17Å; E434-K492 PolarHBondContact OE2-NZ 2.82Å; S438-K492 PolarHBondContact OG-O 2.96Å; T488-K492 WeakPolarHBondContact O-CB 3.49Å; T488-K492 WeakPolarHBondContact O-CG 3.25Å; T488-K492 PolarHBondContact O-N 3.09Å; Q489-K492 PolarHBondContact O-N 2.8Å; K492-W495 PolarHBondContact O-N 2.83Å; K492-A496 VanDerWaalsContact O-CB 3.29Å; K492-A496 WeakPolarHBondContact O-CB 3.36Å; K492-A496 PolarHBondContact O-N 3.01Å
493	A	98.6	Very high	96.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-49.7	172.2	0	0	0	0	0	110.9	Y390 S438 F454 A458 Q489 W495 F497	Y390-A493 HydrophobicContact CE2-CB 4.36Å; S438-A493 PolarHBondContact OG-N 3.3Å; F454-A493 HydrophobicContact CE2-CB 4.44Å; F454-A493 HydrophobicContact CZ-CB 3.78Å; A458-A493 HydrophobicContact CB-CB 4.41Å; Q489-A493 WeakPolarHBondContact O-CB 3.49Å; Q489-A493 PolarHBondContact O-N 3.21Å; A493-W495 PolarHBondContact O-N 2.85Å; A493-F497 WeakPolarHBondContact O-CD2 3.43Å; A493-F497 PolarHBondContact O-N 2.91Å
494	A	98.7	Very high	96.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-43.5	177.9	0	0	0	0	0	111.8	Y390 C393 L397 C490 F491 A498	Y390-A494 HydrophobicContact CD2-CB 4.39Å; Y390-A494 HydrophobicContact CE2-CB 3.77Å; C393-A494 VanDerWaalsContact SG-CB 3.55Å; L397-A494 HydrophobicContact CD1-CB 3.69Å; C490-A494 WeakPolarHBondContact O-CB 3.38Å; C490-A494 PolarHBondContact O-N 2.79Å; C490-A494 VanDerWaalsContact O-N 3.13Å; F491-A494 PolarHBondContact O-N 2.82Å; A494-A498 WeakPolarHBondContact O-CB 3.39Å; A494-A498 PolarHBondContact O-N 2.93Å
495	W	98.4	Very high	96	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-50.1	179.5	-179.5	-109.1	0	0	0	112.8	Y286 A291 L397 I401 F491 K492 A493 F497 A498 L499	Y286-W495 HydrophobicContact CD1-CH2 4.04Å; Y286-W495 AromaticContact CD1-CZ2 3.72Å; Y286-W495 HydrophobicContact CD1-CZ2 3.72Å; Y286-W495 HydrophobicContact CE1-CH2 4.33Å; Y286-W495 HydrophobicContact CE1-CZ2 4.45Å; Y286-W495 HydrophobicContact CG-CZ2 4.46Å; Y286-W495 PolarHBondContact O-NE1 3.09Å; A291-W495 HydrophobicContact CB-CD2 3.56Å; A291-W495 HydrophobicContact CB-CE3 4.19Å; A291-W495 HydrophobicContact CB-CG 3.91Å; A291-W495 HydrophobicContact CB-CH2 4.19Å; A291-W495 HydrophobicContact CB-CZ2 3.55Å; A291-W495 HydrophobicContact CB-CZ3 4.48Å; A291-W495 VanDerWaalsContact CB-NE1 3.28Å; L397-W495 HydrophobicContact CB-CE3 4.14Å; L397-W495 HydrophobicContact CD1-CB 4.01Å; L397-W495 HydrophobicContact CD1-CE3 4.34Å; L397-W495 HydrophobicContact CD2-CE3 4.16Å; L397-W495 HydrophobicContact CG-CE3 4.43Å; I401-W495 HydrophobicContact CD1-CE3 4.04Å; I401-W495 HydrophobicContact CD1-CH2 4.14Å; I401-W495 HydrophobicContact CD1-CZ3 3.73Å; I401-W495 HydrophobicContact CG1-CE3 4.47Å; I401-W495 HydrophobicContact CG1-CH2 3.79Å; I401-W495 HydrophobicContact CG1-CZ3 3.67Å; F491-W495 HydrophobicContact CE1-CB 4.12Å; F491-W495 HydrophobicContact CE1-CG 4.37Å; F491-W495 HydrophobicContact CZ-CB 4.3Å; F491-W495 HydrophobicContact CZ-CG 4.44Å; F491-W495 WeakPolarHBondContact O-CB 3.43Å; F491-W495 PolarHBondContact O-N 2.8Å; K492-W495 PolarHBondContact O-N 2.83Å; A493-W495 PolarHBondContact O-N 2.85Å; W495-F497 VanDerWaalsContact C-N 3.29Å; W495-F497 PolarHBondContact O-N 2.85Å; W495-A498 PolarHBondContact O-N 3.46Å; W495-L499 HydrophobicContact CD2-CD1 4.25Å; W495-L499 HydrophobicContact CD2-CG 4.29Å; W495-L499 HydrophobicContact CG-CD1 4.38Å; W495-L499 HydrophobicContact CH2-CD2 4.33Å; W495-L499 HydrophobicContact CZ2-CD1 3.93Å; W495-L499 HydrophobicContact CZ2-CD2 3.92Å; W495-L499 HydrophobicContact CZ2-CG 4.09Å; W495-L499 WeakPolarHBondContact O-CB 3.38Å; W495-L499 WeakPolarHBondContact O-CG 3.38Å; W495-L499 PolarHBondContact O-N 2.83Å
496	A	98.5	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.4	-42.8	-177.1	0	0	0	0	0	111.8	L235 E434 Y435 K492 L499 L500	L235-A496 HydrophobicContact CD2-CB 3.62Å; E434-A496 HydrophobicContact CG-CB 4.44Å; Y435-A496 HydrophobicContact CD1-CB 4.19Å; Y435-A496 HydrophobicContact CE1-CB 4.16Å; Y435-A496 WeakPolarHBondContact CE1-O 3.46Å; Y435-A496 PolarHBondContact OH-O 2.74Å; K492-A496 VanDerWaalsContact O-CB 3.29Å; K492-A496 WeakPolarHBondContact O-CB 3.36Å; K492-A496 PolarHBondContact O-N 3.01Å; A496-L499 WeakPolarHBondContact O-CB 3.42Å; A496-L499 PolarHBondContact O-N 3.26Å; A496-L500 PolarHBondContact O-N 3.45Å
497	F	98.3	Very high	95.7	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-87.1	-23.9	-177.1	-71	-85.3	0	0	0	113.5	Y435 T439 Y449 F454 A493 W495 L499 L500 H501 F513	Y435-F497 HydrophobicContact CD1-CZ 4.32Å; T439-F497 HydrophobicContact CG2-CE2 3.8Å; T439-F497 HydrophobicContact CG2-CZ 3.49Å; T439-F497 VanDerWaalsContact CG2-CZ 3.49Å; Y449-F497 HydrophobicContact CD1-CE1 4.36Å; Y449-F497 HydrophobicContact CD2-CD1 4.13Å; Y449-F497 AromaticContact CD2-CE1 3.3Å; Y449-F497 HydrophobicContact CD2-CE1 3.3Å; Y449-F497 AromaticContact CD2-CZ 3.81Å; Y449-F497 HydrophobicContact CD2-CZ 3.81Å; Y449-F497 HydrophobicContact CE1-CD1 4.18Å; Y449-F497 HydrophobicContact CE1-CE1 4.14Å; Y449-F497 AromaticContact CE2-CD1 3.39Å; Y449-F497 HydrophobicContact CE2-CD1 3.39Å; Y449-F497 AromaticContact CE2-CE1 3.02Å; Y449-F497 HydrophobicContact CE2-CE1 3.02Å; Y449-F497 HydrophobicContact CE2-CG 4.33Å; Y449-F497 AromaticContact CE2-CZ 3.7Å; Y449-F497 HydrophobicContact CE2-CZ 3.7Å; Y449-F497 AromaticContact CG-CE1 3.97Å; Y449-F497 HydrophobicContact CG-CE1 3.97Å; Y449-F497 AromaticContact CZ-CD1 3.4Å; Y449-F497 VanDerWaalsContact CZ-CD1 3.4Å; Y449-F497 AromaticContact CZ-CE1 3.48Å; Y449-F497 VanDerWaalsContact CZ-CE1 3.48Å; Y449-F497 WeakPolarHBondContact OH-CD1 3.33Å; F454-F497 HydrophobicContact CD1-CD1 4.4Å; F454-F497 HydrophobicContact CD1-CD2 4.02Å; F454-F497 HydrophobicContact CD1-CE2 4.3Å; F454-F497 HydrophobicContact CD1-CG 4.05Å; F454-F497 HydrophobicContact CD2-CE2 4.09Å; F454-F497 HydrophobicContact CD2-CZ 4.36Å; F454-F497 HydrophobicContact CE1-CB 3.91Å; F454-F497 HydrophobicContact CE1-CD1 4.25Å; F454-F497 AromaticContact CE1-CD2 3.17Å; F454-F497 HydrophobicContact CE1-CD2 3.17Å; F454-F497 AromaticContact CE1-CE2 3.68Å; F454-F497 HydrophobicContact CE1-CE2 3.68Å; F454-F497 AromaticContact CE1-CG 3.48Å; F454-F497 HydrophobicContact CE1-CG 3.48Å; F454-F497 VanDerWaalsContact CE1-CG 3.48Å; F454-F497 HydrophobicContact CE1-CZ 4.41Å; F454-F497 AromaticContact CE2-CD2 3.82Å; F454-F497 HydrophobicContact CE2-CD2 3.82Å; F454-F497 AromaticContact CE2-CE2 3.43Å; F454-F497 HydrophobicContact CE2-CE2 3.43Å; F454-F497 VanDerWaalsContact CE2-CE2 3.43Å; F454-F497 HydrophobicContact CE2-CZ 4.13Å; F454-F497 HydrophobicContact CG-CE2 4.48Å; F454-F497 AromaticContact CZ-CD2 3.04Å; F454-F497 HydrophobicContact CZ-CD2 3.04Å; F454-F497 AromaticContact CZ-CE2 3.19Å; F454-F497 HydrophobicContact CZ-CE2 3.19Å; F454-F497 AromaticContact CZ-CG 3.87Å; F454-F497 HydrophobicContact CZ-CG 3.87Å; F454-F497 HydrophobicContact CZ-CZ 4.15Å; A493-F497 WeakPolarHBondContact O-CD2 3.43Å; A493-F497 PolarHBondContact O-N 2.91Å; W495-F497 VanDerWaalsContact C-N 3.29Å; W495-F497 PolarHBondContact O-N 2.85Å; F497-L499 VanDerWaalsContact C-N 3.33Å; F497-L500 HydrophobicContact CD1-CB 4.41Å; F497-L500 HydrophobicContact CD1-CD2 3.63Å; F497-L500 HydrophobicContact CE1-CD2 3.8Å; F497-L500 PolarHBondContact O-N 3.24Å; F497-H501 PolarHBondContact O-CD2 3.31Å; F497-H501 VanDerWaalsContact O-CD2 3.25Å; F497-H501 PolarHBondContact O-N 3.39Å; F497-F513 HydrophobicContact CE1-CE1 4.11Å
498	A	97	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-41	164.2	0	0	0	0	0	110.2	Y394 L397 I401 A494 W495 L500 K502 G503	Y394-A498 HydrophobicContact CD2-CB 4.1Å; Y394-A498 HydrophobicContact CE2-CB 3.82Å; L397-A498 HydrophobicContact CB-CB 4.41Å; I401-A498 HydrophobicContact CD1-CB 3.65Å; A494-A498 WeakPolarHBondContact O-CB 3.39Å; A494-A498 PolarHBondContact O-N 2.93Å; W495-A498 PolarHBondContact O-N 3.46Å; A498-L500 VanDerWaalsContact C-N 3.35Å; A498-L500 PolarHBondContact O-N 2.92Å; A498-K502 WeakPolarHBondContact O-CA 3.33Å; A498-K502 WeakPolarHBondContact O-CB 3.37Å; A498-K502 PolarHBondContact O-N 3.31Å; A498-G503 PolarHBondContact O-N 3.19Å; A498-G503 VanDerWaalsContact O-N 3.16Å
499	L	95.7	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-62.5	-40.7	171.6	-74	175	0	0	0	112	L235 L240 Y286 I401 L414 W495 A496 F497 G503 L504	L235-L499 HydrophobicContact CD1-CD1 3.84Å; L235-L499 HydrophobicContact CD2-CD1 4.12Å; L240-L499 HydrophobicContact CD2-CD1 4.24Å; Y286-L499 HydrophobicContact CD1-CD2 3.71Å; Y286-L499 HydrophobicContact CE1-CD2 4.31Å; I401-L499 HydrophobicContact CD1-CD2 3.67Å; I401-L499 HydrophobicContact CD1-CG 3.93Å; I401-L499 HydrophobicContact CG1-CD2 3.93Å; L414-L499 HydrophobicContact CD1-CD2 3.67Å; L414-L499 HydrophobicContact CD2-CD2 4.32Å; W495-L499 HydrophobicContact CD2-CD1 4.25Å; W495-L499 HydrophobicContact CD2-CG 4.29Å; W495-L499 HydrophobicContact CG-CD1 4.38Å; W495-L499 HydrophobicContact CH2-CD2 4.33Å; W495-L499 HydrophobicContact CZ2-CD1 3.93Å; W495-L499 HydrophobicContact CZ2-CD2 3.92Å; W495-L499 HydrophobicContact CZ2-CG 4.09Å; W495-L499 WeakPolarHBondContact O-CB 3.38Å; W495-L499 WeakPolarHBondContact O-CG 3.38Å; W495-L499 PolarHBondContact O-N 2.83Å; A496-L499 WeakPolarHBondContact O-CB 3.42Å; A496-L499 PolarHBondContact O-N 3.26Å; F497-L499 VanDerWaalsContact C-N 3.33Å; L499-G503 CarbonylContact O-C 3.34Å; L499-G503 WeakPolarHBondContact O-CA 3.43Å; L499-G503 PolarHBondContact O-N 3.07Å; L499-L504 WeakPolarHBondContact O-CB 3.13Å; L499-L504 WeakPolarHBondContact O-CG 3.42Å; L499-L504 PolarHBondContact O-N 2.92Å
500	L	95.8	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-60.5	-55.4	177.7	-172.4	63.9	0	0	0	111.6	L233 Y435 Y449 A496 F497 A498 L504 R505 F506 F513	L233-L500 HydrophobicContact CD1-CD1 3.43Å; L233-L500 VanDerWaalsContact CD1-CD1 3.43Å; Y435-L500 HydrophobicContact CE1-CB 4.09Å; Y435-L500 HydrophobicContact CE1-CD1 4.4Å; Y449-L500 HydrophobicContact CD1-CD2 4.47Å; Y449-L500 HydrophobicContact CE1-CD2 4.27Å; A496-L500 PolarHBondContact O-N 3.45Å; F497-L500 HydrophobicContact CD1-CB 4.41Å; F497-L500 HydrophobicContact CD1-CD2 3.63Å; F497-L500 HydrophobicContact CE1-CD2 3.8Å; F497-L500 PolarHBondContact O-N 3.24Å; A498-L500 VanDerWaalsContact C-N 3.35Å; A498-L500 PolarHBondContact O-N 2.92Å; L500-L504 CarbonylContact O-C 3.55Å; L500-L504 WeakPolarHBondContact O-CB 2.98Å; L500-R505 PolarHBondContact O-N 3.28Å; L500-F506 HydrophobicContact CD1-CB 3.82Å; L500-F506 HydrophobicContact CD1-CD1 3.61Å; L500-F506 HydrophobicContact CD1-CD2 3.93Å; L500-F506 HydrophobicContact CD1-CE1 4.19Å; L500-F506 HydrophobicContact CD1-CE2 4.47Å; L500-F506 HydrophobicContact CD1-CG 3.52Å; L500-F506 HydrophobicContact CG-CB 3.84Å; L500-F506 HydrophobicContact CG-CD1 4.44Å; L500-F506 HydrophobicContact CG-CG 4.12Å; L500-F506 WeakPolarHBondContact O-CB 3.05Å; L500-F506 PolarHBondContact O-N 3.3Å; L500-F513 HydrophobicContact CD1-CD2 4.49Å; L500-F513 HydrophobicContact CD1-CE1 4.3Å; L500-F513 HydrophobicContact CD1-CE2 4.24Å; L500-F513 HydrophobicContact CD1-CZ 4.13Å; L500-F513 HydrophobicContact CD2-CD1 3.74Å; L500-F513 HydrophobicContact CD2-CE1 3.71Å; L500-F513 HydrophobicContact CD2-CG 4.41Å; L500-F513 HydrophobicContact CD2-CZ 4.35Å
501	H	94.8	Very high	95	Very high	11 Å²	11	27.5 Å²	27.5	5%	0.051	15%	0.145	C	C	.	.	I	π-helix	trans	-88.5	-35.3	-169.9	-62.4	-55.1	0	0	0	114.3	Y449 H451 F497 R505 F506 P507	Y449-H501 AromaticContact CE1-CE1 3.79Å; Y449-H501 AromaticContact CE1-NE2 3.58Å; Y449-H501 AromaticContact CZ-NE2 3.69Å; Y449-H501 PolarHBondContact OH-NE2 3.5Å; Y449-H501 VanDerWaalsContact OH-NE2 3.08Å; H451-H501 AromaticContact ND1-CD2 3.94Å; H451-H501 AromaticContact ND1-NE2 3.46Å; H451-H501 PolarHBondContact ND1-NE2 2.04Å; F497-H501 PolarHBondContact O-CD2 3.31Å; F497-H501 VanDerWaalsContact O-CD2 3.25Å; F497-H501 PolarHBondContact O-N 3.39Å; H501-R505 WeakPolarHBondContact O-CA 3.44Å; H501-F506 PolarHBondContact ND1-O 3.42Å; H501-P507 PolarHBondContact CE1-O 3.47Å; H501-P507 PolarHBondContact ND1-O 3.04Å
502	K	91.2	Very high	94.8	Very high	74 Å²	74	29 Å²	29	32%	0.322	15%	0.153	S	C	.	.	I	π-helix	trans	-98.1	-42.7	-175.8	-54.3	-54.5	-159	154.5	0	112.3	I401 E402 A498 R505	I401-K502 HydrophobicContact CG2-CB 4.12Å; E402-K502 HydrophobicContact CG-CB 4.34Å; E402-K502 WeakPolarHBondContact OE1-CD 3.42Å; E402-K502 IonicContact OE1-NZ 2.62Å; A498-K502 WeakPolarHBondContact O-CA 3.33Å; A498-K502 WeakPolarHBondContact O-CB 3.37Å; A498-K502 PolarHBondContact O-N 3.31Å; K502-R505 WeakPolarHBondContact O-CD 3.34Å; K502-R505 PolarHBondContact O-NE 3.13Å
503	G	90.2	Very high	94.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	15%	0.149	C	C	.	.	I	π-helix	trans	-77.6	-53.8	179.4	0	0	0	0	0	112.7	F413 L414 A498 L499	F413-G503 WeakPolarHBondContact CA-O 3.3Å; L414-G503 PolarHBondContact N-O 3.48Å; L414-G503 VanDerWaalsContact N-O 3.09Å; A498-G503 PolarHBondContact O-N 3.19Å; A498-G503 VanDerWaalsContact O-N 3.16Å; L499-G503 CarbonylContact O-C 3.34Å; L499-G503 WeakPolarHBondContact O-CA 3.43Å; L499-G503 PolarHBondContact O-N 3.07Å
504	L	90.3	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-94.1	1.6	-177.2	-63.2	-179.1	0	0	0	112.8	L233 L240 Y283 F413 L414 L499 L500 F506	L233-L504 HydrophobicContact CD1-CD1 3.79Å; L233-L504 HydrophobicContact CD2-CD1 3.51Å; L233-L504 HydrophobicContact CG-CD1 4.29Å; L240-L504 HydrophobicContact CD1-CD1 4.46Å; L240-L504 HydrophobicContact CD2-CD1 4.06Å; L240-L504 HydrophobicContact CD2-CD2 4.25Å; L240-L504 HydrophobicContact CD2-CG 4.22Å; Y283-L504 HydrophobicContact CE2-CD2 3.93Å; F413-L504 WeakPolarHBondContact CD1-O 3.43Å; F413-L504 WeakPolarHBondContact CE1-O 3.42Å; L414-L504 HydrophobicContact CD1-CD2 4.49Å; L499-L504 WeakPolarHBondContact O-CB 3.13Å; L499-L504 WeakPolarHBondContact O-CG 3.42Å; L499-L504 PolarHBondContact O-N 2.92Å; L500-L504 CarbonylContact O-C 3.55Å; L500-L504 WeakPolarHBondContact O-CB 2.98Å; L504-F506 HydrophobicContact CB-CD2 3.75Å; L504-F506 HydrophobicContact CB-CE2 3.99Å; L504-F506 HydrophobicContact CD1-CE2 4.46Å; L504-F506 VanDerWaalsContact O-CD2 3.26Å; L504-F506 WeakPolarHBondContact O-CD2 3.28Å; L504-F506 PolarHBondContact O-N 2.97Å
505	R	88.2	Confident	94.7	Very high	110 Å²	110	30.2 Å²	30.2	42%	0.415	16%	0.16	S	C	.	.			trans	51.4	29.2	173.6	-56.1	-61.7	-177.1	105.7	-0.6	115.2	F413 L500 H501 K502	F413-R505 HydrophobicContact CD1-CB 3.96Å; F413-R505 HydrophobicContact CD1-CG 4.03Å; F413-R505 HydrophobicContact CE1-CB 3.7Å; F413-R505 HydrophobicContact CE1-CG 4.23Å; F413-R505 HydrophobicContact CZ-CB 4.49Å; L500-R505 PolarHBondContact O-N 3.28Å; H501-R505 WeakPolarHBondContact O-CA 3.44Å; K502-R505 WeakPolarHBondContact O-CD 3.34Å; K502-R505 PolarHBondContact O-NE 3.13Å
506	F	93.1	Very high	94.6	Very high	4 Å²	4	31 Å²	31	2%	0.018	16%	0.164	C	C	.	.			trans	-66.5	133.4	170	-81.7	-124.4	0	0	0	108.7	L233 F424 F429 L500 H501 L504 I510	L233-F506 HydrophobicContact CD1-CE1 4.18Å; L233-F506 HydrophobicContact CD1-CE2 4.12Å; L233-F506 HydrophobicContact CD1-CZ 3.85Å; L233-F506 HydrophobicContact CD2-CE2 4.4Å; L233-F506 HydrophobicContact CD2-CZ 4.26Å; L233-F506 HydrophobicContact CG-CZ 4.28Å; F424-F506 HydrophobicContact CD1-CD1 4.01Å; F424-F506 HydrophobicContact CD1-CE1 4.06Å; F424-F506 HydrophobicContact CD1-CG 4.36Å; F424-F506 HydrophobicContact CD1-CZ 4.48Å; F424-F506 HydrophobicContact CE1-CB 4.4Å; F424-F506 AromaticContact CE1-CD1 3.65Å; F424-F506 HydrophobicContact CE1-CD1 3.65Å; F424-F506 AromaticContact CE1-CD2 3.74Å; F424-F506 HydrophobicContact CE1-CD2 3.74Å; F424-F506 AromaticContact CE1-CE1 3.67Å; F424-F506 HydrophobicContact CE1-CE1 3.67Å; F424-F506 AromaticContact CE1-CE2 3.76Å; F424-F506 HydrophobicContact CE1-CE2 3.76Å; F424-F506 AromaticContact CE1-CG 3.66Å; F424-F506 HydrophobicContact CE1-CG 3.66Å; F424-F506 AromaticContact CE1-CZ 3.71Å; F424-F506 HydrophobicContact CE1-CZ 3.71Å; F424-F506 HydrophobicContact CZ-CD2 4.1Å; F424-F506 HydrophobicContact CZ-CE2 4.31Å; F424-F506 HydrophobicContact CZ-CG 4.24Å; F429-F506 HydrophobicContact CB-CE1 3.91Å; F429-F506 HydrophobicContact CB-CZ 4.48Å; F429-F506 AromaticContact CD1-CE1 3.87Å; F429-F506 HydrophobicContact CD1-CE1 3.87Å; F429-F506 AromaticContact CD1-CZ 3.6Å; F429-F506 HydrophobicContact CD1-CZ 3.6Å; F429-F506 AromaticContact CD2-CE1 3.87Å; F429-F506 HydrophobicContact CD2-CE1 3.87Å; F429-F506 HydrophobicContact CD2-CZ 4.23Å; F429-F506 HydrophobicContact CE1-CE1 4.36Å; F429-F506 AromaticContact CE1-CZ 3.77Å; F429-F506 HydrophobicContact CE1-CZ 3.77Å; F429-F506 HydrophobicContact CE2-CE1 4.35Å; F429-F506 HydrophobicContact CE2-CZ 4.37Å; F429-F506 AromaticContact CG-CE1 3.6Å; F429-F506 HydrophobicContact CG-CE1 3.6Å; F429-F506 AromaticContact CG-CZ 3.85Å; F429-F506 HydrophobicContact CG-CZ 3.85Å; F429-F506 HydrophobicContact CZ-CZ 4.16Å; L500-F506 HydrophobicContact CD1-CB 3.82Å; L500-F506 HydrophobicContact CD1-CD1 3.61Å; L500-F506 HydrophobicContact CD1-CD2 3.93Å; L500-F506 HydrophobicContact CD1-CE1 4.19Å; L500-F506 HydrophobicContact CD1-CE2 4.47Å; L500-F506 HydrophobicContact CD1-CG 3.52Å; L500-F506 HydrophobicContact CG-CB 3.84Å; L500-F506 HydrophobicContact CG-CD1 4.44Å; L500-F506 HydrophobicContact CG-CG 4.12Å; L500-F506 WeakPolarHBondContact O-CB 3.05Å; L500-F506 PolarHBondContact O-N 3.3Å; H501-F506 PolarHBondContact ND1-O 3.42Å; L504-F506 HydrophobicContact CB-CD2 3.75Å; L504-F506 HydrophobicContact CB-CE2 3.99Å; L504-F506 HydrophobicContact CD1-CE2 4.46Å; L504-F506 VanDerWaalsContact O-CD2 3.26Å; L504-F506 WeakPolarHBondContact O-CD2 3.28Å; L504-F506 PolarHBondContact O-N 2.97Å; F506-I510 HydrophobicContact CD1-CD1 3.43Å; F506-I510 VanDerWaalsContact CD1-CD1 3.43Å; F506-I510 HydrophobicContact CE1-CD1 4Å; F506-I510 HydrophobicContact CG-CD1 4.41Å
507	P	93.8	Very high	94.4	Very high	45 Å²	45	32.6 Å²	32.6	29%	0.292	18%	0.176	S	C	.	.			trans	-54.3	144.9	177.9	-25.3	33.7	0	0	0	111.8	F424 H501 N509 I510	F424-P507 HydrophobicContact CB-CG 4.4Å; F424-P507 HydrophobicContact CD2-CG 3.83Å; F424-P507 HydrophobicContact CE2-CG 4.31Å; F424-P507 HydrophobicContact CG-CG 4.16Å; H501-P507 PolarHBondContact CE1-O 3.47Å; H501-P507 PolarHBondContact ND1-O 3.04Å; P507-N509 VanDerWaalsContact C-N 3.27Å; P507-N509 WeakPolarHBondContact CB-OD1 3.5Å; P507-N509 PolarHBondContact O-N 3.19Å; P507-I510 WeakPolarHBondContact O-CB 3.2Å; P507-I510 VanDerWaalsContact O-CG2 3.24Å; P507-I510 WeakPolarHBondContact O-CG2 3.19Å; P507-I510 PolarHBondContact O-N 2.04Å
508	V	95.1	Very high	94.1	Very high	76 Å²	76	39.1 Å²	39.1	46%	0.461	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.6	178.9	176.4	0	0	0	0	111	H451 I510	H451-V508 HydrophobicContact CB-CG1 4.11Å; H451-V508 WeakPolarHBondContact CB-O 3.4Å; H451-V508 WeakPolarHBondContact CD2-CG1 3.47Å; V508-I510 PolarHBondContact O-N 3.25Å
509	N	93.2	Very high	93.7	Very high	142 Å²	142	40 Å²	40	76%	0.759	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	24.8	178.3	66.9	-24	0	0	0	113.6	P507 S511	P507-N509 VanDerWaalsContact C-N 3.27Å; P507-N509 WeakPolarHBondContact CB-OD1 3.5Å; P507-N509 PolarHBondContact O-N 3.19Å; N509-S511 PolarHBondContact O-N 2.99Å
510	I	94.7	Very high	93	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.056	23%	0.234	C	C	.	.			trans	-66.9	122.1	-179.8	-169.4	171.2	0	0	0	111.2	F424 Y449 F506 P507 V508 F513	F424-I510 HydrophobicContact CB-CD1 4.33Å; F424-I510 HydrophobicContact CD1-CD1 3.86Å; F424-I510 HydrophobicContact CG-CD1 4.44Å; Y449-I510 HydrophobicContact CD1-CG2 4.17Å; Y449-I510 HydrophobicContact CE1-CG2 4.49Å; F506-I510 HydrophobicContact CD1-CD1 3.43Å; F506-I510 VanDerWaalsContact CD1-CD1 3.43Å; F506-I510 HydrophobicContact CE1-CD1 4Å; F506-I510 HydrophobicContact CG-CD1 4.41Å; P507-I510 WeakPolarHBondContact O-CB 3.2Å; P507-I510 VanDerWaalsContact O-CG2 3.24Å; P507-I510 WeakPolarHBondContact O-CG2 3.19Å; P507-I510 PolarHBondContact O-N 2.04Å; V508-I510 PolarHBondContact O-N 3.25Å; I510-F513 HydrophobicContact CD1-CB 4.15Å; I510-F513 HydrophobicContact CG1-CB 4.37Å; I510-F513 HydrophobicContact CG2-CB 4.11Å
511	S	92	Very high	92.2	Very high	78 Å²	78	47.5 Å²	47.5	55%	0.545	27%	0.267	S	S	.	.	S	Bend	trans	-96.8	-17.8	177.7	61.1	0	0	0	0	114	N509	N509-S511 PolarHBondContact O-N 2.99Å
512	N	94.8	Very high	91.4	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	27%	0.272	C	S	.	.	S	Bend	trans	-100.6	27.2	-174.2	-58.7	-24.3	0	0	0	112.8	F424 A425 F429 H514	F424-N512 PolarHBondContact O-ND2 3.36Å; A425-N512 PolarHBondContact O-ND2 2.89Å; F429-N512 PolarHBondContact N-O 2.87Å; N512-H514 PolarHBondContact O-CD2 3.48Å
513	F	98	Very high	91.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.5	172.8	-177.4	-117.2	0	0	0	110.3	L233 F429 Y435 Y449 F497 L500 I510 P515	L233-F513 HydrophobicContact CB-CE2 4.49Å; L233-F513 HydrophobicContact CD1-CE2 3.73Å; L233-F513 HydrophobicContact CD1-CZ 4.2Å; L233-F513 HydrophobicContact CG-CE2 4.32Å; F429-F513 HydrophobicContact CB-CD2 3.83Å; F429-F513 HydrophobicContact CB-CE2 4.5Å; F429-F513 CarbonylContact O-C 3.55Å; F429-F513 WeakPolarHBondContact O-CA 3.37Å; Y435-F513 AromaticContact CD1-CE1 3.97Å; Y435-F513 HydrophobicContact CD1-CE1 3.97Å; Y435-F513 AromaticContact CD1-CZ 3.69Å; Y435-F513 HydrophobicContact CD1-CZ 3.69Å; Y435-F513 HydrophobicContact CD2-CZ 4.29Å; Y435-F513 HydrophobicContact CE1-CE1 4.46Å; Y435-F513 HydrophobicContact CE1-CZ 4.09Å; Y435-F513 HydrophobicContact CG-CE1 4.41Å; Y435-F513 AromaticContact CG-CZ 3.8Å; Y435-F513 HydrophobicContact CG-CZ 3.8Å; Y449-F513 WeakPolarHBondContact CB-O 3.39Å; Y449-F513 HydrophobicContact CD1-CD1 4.15Å; Y449-F513 AromaticContact CG-CD1 3.96Å; Y449-F513 HydrophobicContact CG-CD1 3.96Å; Y449-F513 PolarHBondContact N-O 3.49Å; F497-F513 HydrophobicContact CE1-CE1 4.11Å; L500-F513 HydrophobicContact CD1-CD2 4.49Å; L500-F513 HydrophobicContact CD1-CE1 4.3Å; L500-F513 HydrophobicContact CD1-CE2 4.24Å; L500-F513 HydrophobicContact CD1-CZ 4.13Å; L500-F513 HydrophobicContact CD2-CD1 3.74Å; L500-F513 HydrophobicContact CD2-CE1 3.71Å; L500-F513 HydrophobicContact CD2-CG 4.41Å; L500-F513 HydrophobicContact CD2-CZ 4.35Å; I510-F513 HydrophobicContact CD1-CB 4.15Å; I510-F513 HydrophobicContact CG1-CB 4.37Å; I510-F513 HydrophobicContact CG2-CB 4.11Å; F513-P515 HydrophobicContact CD1-CG 4.29Å; F513-P515 HydrophobicContact CE1-CG 3.98Å
514	H	97.6	Very high	91.3	Very high	39 Å²	39	46.3 Å²	46.3	18%	0.181	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	97.2	-170.6	-53.6	-81.7	0	0	0	110	D428 F429 Y430 G431 N512 V516	D428-H514 IonicContact OD1-CD2 2.65Å; D428-H514 IonicContact OD1-NE2 2.64Å; D428-H514 PolarHBondContact OD1-NE2 2.98Å; D428-H514 VanDerWaalsContact OD1-NE2 3.17Å; F429-H514 PolarHBondContact O-N 2.83Å; Y430-H514 CarbonylContact C-O 3.48Å; Y430-H514 VanDerWaalsContact CA-O 3.31Å; Y430-H514 WeakPolarHBondContact CA-O 2.99Å; Y430-H514 HydrophobicContact CD1-CB 3.7Å; Y430-H514 HydrophobicContact CE1-CB 3.75Å; Y430-H514 HydrophobicContact CG-CB 4.41Å; G431-H514 PolarHBondContact N-O 3.31Å; N512-H514 PolarHBondContact O-CD2 3.48Å; H514-V516 HydrophobicContact CB-CG1 4.43Å; H514-V516 PolarHBondContact O-N 2.99Å
515	P	98	Very high	91.4	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.045	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	128.7	168.2	-22.4	34.1	0	0	0	110.5	G431 W436 T439 F513	G431-P515 CarbonylContact O-C 3.53Å; G431-P515 VanDerWaalsContact O-CA 3.26Å; G431-P515 WeakPolarHBondContact O-CA 3.41Å; W436-P515 VanDerWaalsContact CE3-O 3.3Å; T439-P515 HydrophobicContact CG2-CB 4.37Å; T439-P515 HydrophobicContact CG2-CG 4.07Å; F513-P515 HydrophobicContact CD1-CG 4.29Å; F513-P515 HydrophobicContact CE1-CG 3.98Å
516	V	96.8	Very high	91.8	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.097	25%	0.25	C	S	.	.			trans	-144.4	145.6	-174.5	-68.7	0	0	0	0	113.1	Y430 G431 M432 W436 H514 M519	Y430-V516 HydrophobicContact CD1-CG1 3.78Å; Y430-V516 HydrophobicContact CD1-CG2 3.92Å; Y430-V516 HydrophobicContact CE1-CG1 4.27Å; Y430-V516 HydrophobicContact CG-CG2 4.45Å; G431-V516 PolarHBondContact O-N 3.13Å; M432-V516 HydrophobicContact CG-CG2 4.26Å; W436-V516 VanDerWaalsContact CE3-CA 3.5Å; H514-V516 HydrophobicContact CB-CG1 4.43Å; H514-V516 PolarHBondContact O-N 2.99Å; V516-M519 HydrophobicContact CB-CG 4.09Å; V516-M519 HydrophobicContact CB-SD 3.97Å; V516-M519 HydrophobicContact CG1-CG 3.98Å; V516-M519 HydrophobicContact CG1-SD 3.89Å; V516-M519 HydrophobicContact CG2-CG 4.43Å; V516-M519 HydrophobicContact CG2-SD 3.71Å
517	S	94.3	Very high	91.9	Very high	35 Å²	35	42.2 Å²	42.2	25%	0.245	25%	0.249	C	C	.	.	S	Bend	trans	-117.2	-28.7	165.2	58.2	0	0	0	0	113.2	W436 I524	W436-S517 VanDerWaalsContact CZ2-OG 3.31Å; W436-S517 WeakPolarHBondContact CZ2-OG 3.48Å; W436-S517 PolarHBondContact NE1-OG 3.23Å; S517-I524 PolarHBondContact O-N 3.38Å
518	R	91.9	Very high	92	Very high	137 Å²	137	40.1 Å²	40.1	52%	0.517	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.8	179.8	-76.2	177.8	172.9	-168.8	-11.2	110.3	E97 H522 D523	E97-R518 IonicContact OE2-CZ 3.69Å; E97-R518 IonicContact OE2-NH1 3.58Å; E97-R518 PolarHBondContact OE2-NH1 3.38Å; E97-R518 IonicContact OE2-NH2 3.63Å; E97-R518 PolarHBondContact OE2-NH2 3.35Å; E97-R518 VanDerWaalsContact OE2-NH2 3.12Å; R518-H522 CarbonylContact C-O 3.58Å; R518-H522 VanDerWaalsContact CA-O 3.23Å; R518-H522 WeakPolarHBondContact CA-O 3.24Å; R518-D523 WeakPolarHBondContact CG-OD1 3.39Å; R518-D523 IonicContact CZ-OD1 2.66Å; R518-D523 IonicContact NE-OD1 3.7Å; R518-D523 PolarHBondContact NE-OD1 2.81Å; R518-D523 IonicContact NH2-OD1 2.74Å; R518-D523 PolarHBondContact NH2-OD1 2.93Å
519	M	87.5	Confident	92.1	Very high	20 Å²	20	36.5 Å²	36.5	10%	0.099	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	135.8	174.9	-65.5	167.7	46	0	0	110	V198 L202 Y430 V516 G521 H522 I524	V198-M519 HydrophobicContact CG1-CE 4.33Å; L202-M519 HydrophobicContact CD1-CE 3.9Å; L202-M519 HydrophobicContact CD2-CE 3.3Å; L202-M519 HydrophobicContact CG-CE 3.38Å; Y430-M519 HydrophobicContact CD1-CE 3.98Å; Y430-M519 HydrophobicContact CD1-SD 3.53Å; Y430-M519 VanDerWaalsContact CD1-SD 3.53Å; Y430-M519 HydrophobicContact CE1-CE 3.7Å; Y430-M519 HydrophobicContact CE1-SD 3.74Å; Y430-M519 HydrophobicContact CG-SD 4.3Å; V516-M519 HydrophobicContact CB-CG 4.09Å; V516-M519 HydrophobicContact CB-SD 3.97Å; V516-M519 HydrophobicContact CG1-CG 3.98Å; V516-M519 HydrophobicContact CG1-SD 3.89Å; V516-M519 HydrophobicContact CG2-CG 4.43Å; V516-M519 HydrophobicContact CG2-SD 3.71Å; M519-G521 PolarHBondContact O-N 3.38Å; M519-G521 VanDerWaalsContact O-N 3.12Å; M519-H522 PolarHBondContact N-O 3.21Å; M519-H522 WeakPolarHBondContact O-CB 3.29Å; M519-H522 PolarHBondContact O-N 3.22Å; M519-I524 HydrophobicContact CB-CD1 3.91Å; M519-I524 HydrophobicContact CB-CG1 3.68Å; M519-I524 HydrophobicContact CG-CG1 3.85Å; M519-I524 HydrophobicContact SD-CG1 3.99Å
520	S	82.2	Confident	92.4	Very high	89 Å²	89	29.8 Å²	29.8	62%	0.622	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.9	175.7	-50	0	0	0	0	114.2	A201 H522	A201-S520 VanDerWaalsContact O-CB 3.27Å; A201-S520 WeakPolarHBondContact O-CB 3.43Å; A201-S520 PolarHBondContact O-OG 3.16Å; S520-H522 VanDerWaalsContact C-N 3.28Å; S520-H522 PolarHBondContact O-CD2 3.03Å; S520-H522 VanDerWaalsContact O-CD2 3.23Å; S520-H522 PolarHBondContact O-N 3.28Å
521	G	78.3	Confident	92.4	Very high	67 Å²	67	29.3 Å²	29.3	69%	0.691	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	2.1	-177.1	0	0	0	0	0	115.4	M519	M519-G521 PolarHBondContact O-N 3.38Å; M519-G521 VanDerWaalsContact O-N 3.12Å
522	H	78.6	Confident	92.6	Very high	31 Å²	31	25.6 Å²	25.6	14%	0.144	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.5	175.8	-60.1	-87.8	0	0	0	111	R518 M519 S520 I524 L528	R518-H522 CarbonylContact C-O 3.58Å; R518-H522 VanDerWaalsContact CA-O 3.23Å; R518-H522 WeakPolarHBondContact CA-O 3.24Å; M519-H522 PolarHBondContact N-O 3.21Å; M519-H522 WeakPolarHBondContact O-CB 3.29Å; M519-H522 PolarHBondContact O-N 3.22Å; S520-H522 VanDerWaalsContact C-N 3.28Å; S520-H522 PolarHBondContact O-CD2 3.03Å; S520-H522 VanDerWaalsContact O-CD2 3.23Å; S520-H522 PolarHBondContact O-N 3.28Å; H522-I524 HydrophobicContact CB-CD1 3.9Å; H522-I524 PolarHBondContact O-N 3.33Å; H522-L528 HydrophobicContact CB-CD2 4.44Å
523	D	87.5	Confident	92.6	Very high	31 Å²	31	25.7 Å²	25.7	17%	0.166	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	116.9	156.2	-76.9	-19.3	0	0	0	107.7	R518 Q525	R518-D523 WeakPolarHBondContact CG-OD1 3.39Å; R518-D523 IonicContact CZ-OD1 2.66Å; R518-D523 IonicContact NE-OD1 3.7Å; R518-D523 PolarHBondContact NE-OD1 2.81Å; R518-D523 IonicContact NH2-OD1 2.74Å; R518-D523 PolarHBondContact NH2-OD1 2.93Å; D523-Q525 PolarHBondContact O-N 3Å
524	I	91.2	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.			trans	-86.6	103.7	-175.3	-61.8	-59.1	0	0	0	108.6	V198 A201 M432 S517 M519 H522	V198-I524 HydrophobicContact CG2-CG2 3.67Å; A201-I524 HydrophobicContact CB-CD1 3.43Å; A201-I524 VanDerWaalsContact CB-CD1 3.43Å; M432-I524 HydrophobicContact CG-CG2 4.08Å; M432-I524 HydrophobicContact SD-CG2 3.42Å; M432-I524 WeakPolarHBondContact SD-CG2 3.36Å; S517-I524 PolarHBondContact O-N 3.38Å; M519-I524 HydrophobicContact CB-CD1 3.91Å; M519-I524 HydrophobicContact CB-CG1 3.68Å; M519-I524 HydrophobicContact CG-CG1 3.85Å; M519-I524 HydrophobicContact SD-CG1 3.99Å; H522-I524 HydrophobicContact CB-CD1 3.9Å; H522-I524 PolarHBondContact O-N 3.33Å
525	Q	91.8	Very high	92.3	Very high	24 Å²	24	26.3 Å²	26.3	11%	0.112	15%	0.148	C	C	.	.			trans	-140.8	157	174.9	-62.8	-66.8	-59.7	0	0	108.3	S197 D523 T527 L528	S197-Q525 VanDerWaalsContact CB-O 3.26Å; S197-Q525 WeakPolarHBondContact CB-O 3.45Å; S197-Q525 PolarHBondContact OG-O 3.43Å; D523-Q525 PolarHBondContact O-N 3Å; Q525-T527 PolarHBondContact O-N 3.45Å; Q525-T527 VanDerWaalsContact O-N 3.11Å; Q525-L528 PolarHBondContact O-N 3.05Å
526	W	96.5	Very high	92	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-19.4	-179.2	63.3	-100.8	0	0	0	113.1	D62 L145 T147 I185 E190 Y193 A194 L528 G529 A530	D62-W526 HydrophobicContact CB-CH2 4.33Å; D62-W526 HydrophobicContact CB-CZ2 3.68Å; D62-W526 WeakPolarHBondContact OD1-CZ2 3.44Å; L145-W526 HydrophobicContact CB-CH2 3.55Å; L145-W526 HydrophobicContact CB-CZ3 4.07Å; L145-W526 HydrophobicContact CD1-CH2 4.1Å; L145-W526 HydrophobicContact CD1-CZ3 3.74Å; L145-W526 HydrophobicContact CG-CH2 4.47Å; T147-W526 HydrophobicContact CG2-CH2 4.46Å; T147-W526 HydrophobicContact CG2-CZ2 3.56Å; I185-W526 HydrophobicContact CD1-CD2 4.4Å; I185-W526 HydrophobicContact CD1-CE3 4.07Å; I185-W526 HydrophobicContact CD1-CH2 3.79Å; I185-W526 HydrophobicContact CD1-CZ2 4.1Å; I185-W526 HydrophobicContact CD1-CZ3 3.77Å; E190-W526 HydrophobicContact CG-CG 4.28Å; Y193-W526 WeakPolarHBondContact CB-O 3.36Å; Y193-W526 AromaticContact CD2-CE3 3.95Å; Y193-W526 HydrophobicContact CD2-CE3 3.95Å; Y193-W526 HydrophobicContact CD2-CZ3 4.31Å; A194-W526 HydrophobicContact CB-CB 4.01Å; W526-L528 VanDerWaalsContact C-N 3.3Å; W526-L528 PolarHBondContact O-N 2.88Å; W526-G529 PolarHBondContact O-N 3.29Å; W526-A530 HydrophobicContact CE3-CB 4.03Å; W526-A530 HydrophobicContact CZ3-CB 3.97Å; W526-A530 PolarHBondContact O-N 2.91Å
527	T	96.8	Very high	91.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-37.4	-179.6	50.6	0	0	0	0	113.7	V60 D62 Y71 Y73 Q525 A530 V531	V60-T527 HydrophobicContact CG1-CG2 3.71Å; D62-T527 HydrophobicContact CB-CG2 3.83Å; Y71-T527 HydrophobicContact CD2-CG2 3.93Å; Y71-T527 HydrophobicContact CE2-CG2 4.15Å; Y73-T527 PolarHBondContact OH-OG1 3.01Å; Q525-T527 PolarHBondContact O-N 3.45Å; Q525-T527 VanDerWaalsContact O-N 3.11Å; T527-A530 WeakPolarHBondContact O-CB 3.31Å; T527-A530 PolarHBondContact O-N 3.15Å; T527-V531 WeakPolarHBondContact O-CG2 3.41Å; T527-V531 PolarHBondContact O-N 3.33Å
528	L	96.1	Very high	91.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-47.9	176.6	172.9	60.2	0	0	0	111.5	Y73 V88 Y200 H522 Q525 W526 A530 V531 L532	Y73-L528 HydrophobicContact CD1-CD1 4.14Å; Y73-L528 HydrophobicContact CE1-CB 4.14Å; Y73-L528 HydrophobicContact CE1-CD1 3.9Å; Y73-L528 PolarHBondContact OH-N 2.94Å; V88-L528 HydrophobicContact CB-CD1 3.82Å; V88-L528 HydrophobicContact CG1-CD1 3.55Å; Y200-L528 HydrophobicContact CD1-CD1 4.39Å; Y200-L528 HydrophobicContact CD1-CD2 3.91Å; Y200-L528 HydrophobicContact CD1-CG 4.3Å; Y200-L528 HydrophobicContact CE1-CD1 4.38Å; Y200-L528 HydrophobicContact CE1-CD2 4.45Å; H522-L528 HydrophobicContact CB-CD2 4.44Å; Q525-L528 PolarHBondContact O-N 3.05Å; W526-L528 VanDerWaalsContact C-N 3.3Å; W526-L528 PolarHBondContact O-N 2.88Å; L528-A530 VanDerWaalsContact C-N 3.3Å; L528-A530 PolarHBondContact O-N 2.98Å; L528-V531 PolarHBondContact O-N 3.06Å; L528-L532 PolarHBondContact O-N 3.3Å
529	G	97.2	Very high	90	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.1	-30.9	176.9	0	0	0	0	0	113	Y193 S197 W526 Y533	Y193-G529 WeakPolarHBondContact O-CA 3.27Å; S197-G529 PolarHBondContact OG-N 2.56Å; W526-G529 PolarHBondContact O-N 3.29Å; G529-Y533 VanDerWaalsContact O-CB 3.26Å; G529-Y533 WeakPolarHBondContact O-CB 3.33Å; G529-Y533 PolarHBondContact O-N 2.97Å
530	A	97.7	Very high	88.9	Confident	1 Å²	1	29 Å²	29	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-46.1	172	0	0	0	0	0	111.6	L145 Y193 W526 T527 L528 Y533 R534	L145-A530 HydrophobicContact CD1-CB 4.18Å; Y193-A530 HydrophobicContact CD1-CB 4.11Å; Y193-A530 HydrophobicContact CD2-CB 3.67Å; Y193-A530 HydrophobicContact CE1-CB 4.36Å; Y193-A530 HydrophobicContact CE2-CB 3.93Å; Y193-A530 HydrophobicContact CG-CB 3.78Å; W526-A530 HydrophobicContact CE3-CB 4.03Å; W526-A530 HydrophobicContact CZ3-CB 3.97Å; W526-A530 PolarHBondContact O-N 2.91Å; T527-A530 WeakPolarHBondContact O-CB 3.31Å; T527-A530 PolarHBondContact O-N 3.15Å; L528-A530 VanDerWaalsContact C-N 3.3Å; L528-A530 PolarHBondContact O-N 2.98Å; A530-Y533 PolarHBondContact O-N 3.37Å; A530-R534 VanDerWaalsContact O-CB 3.23Å; A530-R534 WeakPolarHBondContact O-CB 2.97Å; A530-R534 VanDerWaalsContact O-CG 3.23Å; A530-R534 WeakPolarHBondContact O-CG 3.25Å; A530-R534 PolarHBondContact O-N 3.15Å
531	V	96.6	Very high	87.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-51.1	175	176.3	0	0	0	0	110.8	A58 V60 Y73 C75 V88 T527 L528 Y533 R534 L535	A58-V531 HydrophobicContact CB-CG1 3.98Å; A58-V531 HydrophobicContact CB-CG2 4.04Å; V60-V531 HydrophobicContact CG2-CG2 3.34Å; Y73-V531 HydrophobicContact CD2-CG2 3.61Å; Y73-V531 HydrophobicContact CE2-CG2 4.09Å; Y73-V531 HydrophobicContact CG-CG2 4.27Å; C75-V531 WeakPolarHBondContact SG-CG1 3.32Å; V88-V531 HydrophobicContact CG1-CB 4.4Å; V88-V531 HydrophobicContact CG1-CG1 3.88Å; V88-V531 HydrophobicContact CG2-CG1 4.14Å; T527-V531 WeakPolarHBondContact O-CG2 3.41Å; T527-V531 PolarHBondContact O-N 3.33Å; L528-V531 PolarHBondContact O-N 3.06Å; V531-Y533 VanDerWaalsContact C-N 3.29Å; V531-Y533 PolarHBondContact O-N 3.25Å; V531-R534 PolarHBondContact O-N 2.77Å; V531-L535 HydrophobicContact CG1-CD1 3.94Å; V531-L535 HydrophobicContact CG1-CG 4.49Å; V531-L535 WeakPolarHBondContact O-CB 3.27Å; V531-L535 PolarHBondContact O-N 2.88Å
532	L	95.1	Very high	87.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-45.4	-178.5	-169.4	155.2	0	0	0	111.3	I85 V88 I196 Y200 L265 L528 R536	I85-L532 HydrophobicContact CD1-CD1 4.42Å; V88-L532 HydrophobicContact CG2-CB 4.29Å; I196-L532 HydrophobicContact CG2-CB 4.2Å; I196-L532 HydrophobicContact CG2-CD1 4.24Å; I196-L532 HydrophobicContact CG2-CD2 3.9Å; I196-L532 HydrophobicContact CG2-CG 4.34Å; Y200-L532 HydrophobicContact CD1-CD1 4.36Å; Y200-L532 HydrophobicContact CD2-CD1 3.14Å; Y200-L532 HydrophobicContact CE2-CD1 3.61Å; Y200-L532 HydrophobicContact CG-CD1 3.57Å; L265-L532 HydrophobicContact CB-CD2 4.1Å; L265-L532 HydrophobicContact CD1-CD2 4.17Å; L265-L532 HydrophobicContact CD2-CD2 3.86Å; L265-L532 HydrophobicContact CG-CD2 4.27Å; L528-L532 PolarHBondContact O-N 3.3Å; L532-R536 WeakPolarHBondContact O-CB 3.39Å; L532-R536 PolarHBondContact O-N 2.72Å
533	Y	95.9	Very high	88.4	Confident	37 Å²	37	38.8 Å²	38.8	15%	0.145	17%	0.171	C	C	.	.	H	α-helix	trans	-70.9	-47.3	-179.6	-177.4	-99.7	0	0	0	113.1	W189 Y193 I196 I263 L265 G529 A530 V531 R536	W189-Y533 HydrophobicContact CH2-CD1 4.32Å; W189-Y533 AromaticContact CH2-CE1 3.48Å; W189-Y533 HydrophobicContact CH2-CE1 3.48Å; W189-Y533 VanDerWaalsContact CH2-CE1 3.48Å; W189-Y533 HydrophobicContact CH2-CE2 4.16Å; W189-Y533 AromaticContact CH2-CZ 3.4Å; W189-Y533 WeakPolarHBondContact CH2-OH 3.34Å; W189-Y533 HydrophobicContact CZ2-CE1 4.41Å; W189-Y533 AromaticContact CZ3-CD1 3.89Å; W189-Y533 HydrophobicContact CZ3-CD1 3.89Å; W189-Y533 HydrophobicContact CZ3-CD2 4.48Å; W189-Y533 AromaticContact CZ3-CE1 3.52Å; W189-Y533 HydrophobicContact CZ3-CE1 3.52Å; W189-Y533 HydrophobicContact CZ3-CE2 4.19Å; W189-Y533 HydrophobicContact CZ3-CG 4.35Å; W189-Y533 AromaticContact CZ3-CZ 3.7Å; Y193-Y533 AromaticContact CE1-CD1 3.73Å; Y193-Y533 HydrophobicContact CE1-CD1 3.73Å; Y193-Y533 HydrophobicContact CE1-CG 4Å; I196-Y533 HydrophobicContact CD1-CD2 4.21Å; I196-Y533 HydrophobicContact CD1-CG 4.36Å; I263-Y533 HydrophobicContact CB-CE2 4.21Å; I263-Y533 HydrophobicContact CG2-CE2 4.33Å; L265-Y533 HydrophobicContact CD2-CD2 4.02Å; G529-Y533 VanDerWaalsContact O-CB 3.26Å; G529-Y533 WeakPolarHBondContact O-CB 3.33Å; G529-Y533 PolarHBondContact O-N 2.97Å; A530-Y533 PolarHBondContact O-N 3.37Å; V531-Y533 VanDerWaalsContact C-N 3.29Å; V531-Y533 PolarHBondContact O-N 3.25Å; Y533-R536 WeakPolarHBondContact O-CD 3.45Å; Y533-R536 WeakPolarHBondContact O-CG 3.1Å; Y533-R536 PolarHBondContact O-NH1 3.08Å
534	R	94.9	Very high	88.4	Confident	46 Å²	46	39.3 Å²	39.3	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-75.1	-29.1	-172.7	-68.5	-177.9	-179	-131	-6.2	113	F143 T180 E183 Y193 A530 V531	F143-R534 HydrophobicContact CE1-CB 4.12Å; F143-R534 HydrophobicContact CE1-CG 4.48Å; F143-R534 HydrophobicContact CZ-CB 4.16Å; T180-R534 PolarHBondContact O-NH1 2.89Å; E183-R534 IonicContact OE1-CZ 2.89Å; E183-R534 IonicContact OE1-NH1 3.5Å; E183-R534 PolarHBondContact OE1-NH1 2.98Å; E183-R534 IonicContact OE1-NH2 3.76Å; E183-R534 PolarHBondContact OE1-NH2 3.46Å; Y193-R534 PolarHBondContact OH-NE 3.39Å; Y193-R534 PolarHBondContact OH-NH2 3.27Å; A530-R534 VanDerWaalsContact O-CB 3.23Å; A530-R534 WeakPolarHBondContact O-CB 2.97Å; A530-R534 VanDerWaalsContact O-CG 3.23Å; A530-R534 WeakPolarHBondContact O-CG 3.25Å; A530-R534 PolarHBondContact O-N 3.15Å; V531-R534 PolarHBondContact O-N 2.77Å
535	L	93.9	Very high	88.2	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.5	179.9	-59.9	-173.6	0	0	0	113.4	A58 L86 F143 V531 H537 L538	A58-L535 HydrophobicContact CB-CD1 3.9Å; L86-L535 HydrophobicContact CD2-CB 3.78Å; F143-L535 HydrophobicContact CE2-CD1 4.36Å; F143-L535 HydrophobicContact CE2-CD2 4.31Å; F143-L535 HydrophobicContact CE2-CG 4.37Å; F143-L535 HydrophobicContact CZ-CD2 3.9Å; F143-L535 HydrophobicContact CZ-CG 4.22Å; V531-L535 HydrophobicContact CG1-CD1 3.94Å; V531-L535 HydrophobicContact CG1-CG 4.49Å; V531-L535 WeakPolarHBondContact O-CB 3.27Å; V531-L535 PolarHBondContact O-N 2.88Å; L535-H537 PolarHBondContact O-N 3.2Å; L535-L538 HydrophobicContact CB-CD1 3.79Å; L535-L538 HydrophobicContact CB-CG 4.12Å; L535-L538 HydrophobicContact CD1-CD1 4.23Å; L535-L538 WeakPolarHBondContact O-CB 3.46Å; L535-L538 VanDerWaalsContact O-CG 3.3Å; L535-L538 WeakPolarHBondContact O-CG 3.45Å; L535-L538 PolarHBondContact O-N 3.19Å
536	R	91.2	Very high	88	Confident	33 Å²	33	42.7 Å²	42.7	13%	0.125	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.1	-178.5	74.5	-174.3	-175.2	-78.3	-1.4	114.9	N264 C267 D269 L532 Y533 L538	N264-R536 WeakPolarHBondContact O-CD 3.5Å; N264-R536 PolarHBondContact O-NE 3.38Å; C267-R536 WeakPolarHBondContact CA-O 3.37Å; C267-R536 VanDerWaalsContact CB-O 3.25Å; C267-R536 WeakPolarHBondContact CB-O 3.18Å; D269-R536 IonicContact OD1-CZ 3.38Å; D269-R536 IonicContact OD1-NE 2.75Å; D269-R536 IonicContact OD1-NH2 3.08Å; D269-R536 PolarHBondContact OD1-NH2 2.95Å; D269-R536 VanDerWaalsContact OD1-NH2 3.08Å; L532-R536 WeakPolarHBondContact O-CB 3.39Å; L532-R536 PolarHBondContact O-N 2.72Å; Y533-R536 WeakPolarHBondContact O-CD 3.45Å; Y533-R536 WeakPolarHBondContact O-CG 3.1Å; Y533-R536 PolarHBondContact O-NH1 3.08Å; R536-L538 VanDerWaalsContact C-N 3.32Å
537	H	88.5	Confident	87.5	Confident	71 Å²	71	45.3 Å²	45.3	33%	0.329	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.3	177.7	-58.1	-68.5	0	0	0	113.3	C267 D269 L535 P539	C267-H537 PolarHBondContact O-ND1 2.98Å; D269-H537 IonicContact OD1-CE1 3.61Å; D269-H537 IonicContact OD2-CE1 3.37Å; D269-H537 PolarHBondContact OD2-CE1 2.8Å; D269-H537 IonicContact OD2-NE2 3.95Å; L535-H537 PolarHBondContact O-N 3.2Å; H537-P539 CarbonylContact O-C 3.57Å; H537-P539 VanDerWaalsContact O-C 3.28Å
538	L	82.8	Confident	86.8	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.089	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-56.8	140.8	175.5	-80.7	172	0	0	0	111.8	H56 C75 Y77 L86 L535 R536 L540	H56-L538 HydrophobicContact CB-CD1 3.66Å; H56-L538 HydrophobicContact CB-CD2 4.31Å; C75-L538 HydrophobicContact CB-CD1 4.25Å; Y77-L538 HydrophobicContact CD1-CB 4.12Å; Y77-L538 HydrophobicContact CD1-CD1 4.22Å; Y77-L538 HydrophobicContact CD2-CB 4.47Å; Y77-L538 HydrophobicContact CG-CB 4.01Å; L86-L538 HydrophobicContact CD1-CD1 4.24Å; L86-L538 HydrophobicContact CD2-CD1 4.33Å; L535-L538 HydrophobicContact CB-CD1 3.79Å; L535-L538 HydrophobicContact CB-CG 4.12Å; L535-L538 HydrophobicContact CD1-CD1 4.23Å; L535-L538 WeakPolarHBondContact O-CB 3.46Å; L535-L538 VanDerWaalsContact O-CG 3.3Å; L535-L538 WeakPolarHBondContact O-CG 3.45Å; L535-L538 PolarHBondContact O-N 3.19Å; R536-L538 VanDerWaalsContact C-N 3.32Å; L538-L540 HydrophobicContact CD2-CD1 4.45Å; L538-L540 HydrophobicContact CD2-CG 3.91Å
539	P	70.3	Confident	86.1	Confident	57 Å²	57	52.2 Å²	52.2	37%	0.37	23%	0.227	S	C	.	.	S	Bend	cis	-67.7	136.7	-5	28.3	-31.6	0	0	0	111.4	Y77 H537 R541	Y77-P539 HydrophobicContact CD2-CB 4.36Å; Y77-P539 HydrophobicContact CD2-CG 4.41Å; Y77-P539 HydrophobicContact CE2-CB 3.65Å; Y77-P539 HydrophobicContact CE2-CG 3.98Å; H537-P539 CarbonylContact O-C 3.57Å; H537-P539 VanDerWaalsContact O-C 3.28Å; P539-R541 PolarHBondContact O-N 3.1Å; P539-R541 VanDerWaalsContact O-N 3.09Å
540	L	63.4	Low	85.1	Confident	93 Å²	93	56.5 Å²	56.5	49%	0.487	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-58.4	117.5	173.7	-65.2	169.7	0	0	0	106.8	L538	L538-L540 HydrophobicContact CD2-CD1 4.45Å; L538-L540 HydrophobicContact CD2-CG 3.91Å
541	R	51.5	Low	84	Confident	317 Å²	317	61.5 Å²	61.5	100%	1.196	27%	0.268	S	S	*	.			trans	-69.9	0	179.7	-79.6	-172.7	179.3	175.6	-0.3	112	P539	P539-R541 PolarHBondContact O-N 3.1Å; P539-R541 VanDerWaalsContact O-N 3.09Å

Retrieved 541 of 541 residues in 157.9 ms (Link to these results)

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