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Protoporphyrinogen oxidase, chloroplastic

Catalyzes the 6-electron oxidation of protoporphyrinogen-IX to form protoporphyrin-IX.

AlphaFold DB , UniProt , Accession Q9AR38, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene PPOX1, Length 536 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	30	Very low	26	Very low	248 Å²	248	123.3 Å²	123.3	100%	1.222	86%	0.862	S	S	*	*				0	135.4	0	-88.4	173.8	82.2	0	0	108.1
2	A	26.8	Very low	26	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	86%	0.857	S	S	*	*			trans	-70.2	161.2	-173.5	0	0	0	0	0	113.7
3	A	24	Very low	25.8	Very low	100 Å²	100	123.2 Å²	123.2	83%	0.826	85%	0.853	S	S	*	*			trans	77.2	116.9	139.8	0	0	0	0	0	119.6
4	A	29.1	Very low	26	Very low	95 Å²	95	120.7 Å²	120.7	79%	0.785	84%	0.844	S	S	*	*				-176.5	105.3	117.1	0	0	0	0	0	107.6
5	A	26	Very low	26.4	Very low	96 Å²	96	122.4 Å²	122.4	79%	0.793	85%	0.848	S	S	*	*				68.5	99.4	91.8	0	0	0	0	0	111.6
6	A	22.6	Very low	26.3	Very low	102 Å²	102	120.6 Å²	120.6	84%	0.843	84%	0.843	S	S	*	*				66.1	114	78.2	0	0	0	0	0	113.8
7	A	25.8	Very low	26.3	Very low	106 Å²	106	119.3 Å²	119.3	88%	0.876	84%	0.841	S	S	*	*			trans	-171.3	118.9	137.6	0	0	0	0	0	110.8
8	M	21.5	Very low	26.9	Very low	184 Å²	184	119.4 Å²	119.4	91%	0.906	84%	0.839	S	S	*	*			trans	-69.4	151.7	162.1	-65.2	178.9	-163.2	0	0	110.4
9	A	28.6	Very low	27.4	Very low	108 Å²	108	119.3 Å²	119.3	89%	0.893	83%	0.834	S	S	*	*			trans	-142.5	107.7	150.4	0	0	0	0	0	109.6
10	T	22.5	Very low	27.6	Very low	132 Å²	132	122 Å²	122	81%	0.81	84%	0.838	S	S	*	*			trans	-102	132	165.4	40.8	0	0	0	0	108.9
11	A	28.5	Very low	27.6	Very low	88 Å²	88	127.6 Å²	127.6	73%	0.727	84%	0.841	S	S	*	*			trans	-161.4	100.8	161.8	0	0	0	0	0	107.8
12	T	26.1	Very low	27.7	Very low	130 Å²	130	123.5 Å²	123.5	80%	0.798	82%	0.823	S	S	*	*				75.1	107	90.8	54.3	0	0	0	0	116.5
13	S	23.4	Very low	27.8	Very low	115 Å²	115	130.2 Å²	130.2	80%	0.804	83%	0.827	S	S	*	*				46.5	125.8	127.5	67.1	0	0	0	0	122.4
14	A	29	Very low	27.9	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	83%	0.831	S	S	*	*			trans	158.6	140.1	140.9	0	0	0	0	0	106.6
15	T	31.3	Very low	28.1	Very low	146 Å²	146	133.5 Å²	133.5	90%	0.896	83%	0.831	S	S	*	*			cis	-171.4	160.2	13.2	11.6	0	0	0	0	106.9
16	A	25.4	Very low	28.3	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	83%	0.83	S	S	*	*			trans	-86.6	159.1	-172.1	0	0	0	0	0	116.2
17	A	26.9	Very low	28.5	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	83%	0.834	S	S	*	*			trans	71.6	155.7	148.1	0	0	0	0	0	119.3
18	P	36.2	Very low	28.7	Very low	122 Å²	122	146.6 Å²	146.6	79%	0.792	84%	0.836	S	S	*	*			cis	-134.8	-173.4	19.8	44.6	-25.1	0	0	0	115.3
19	P	36.7	Very low	29.3	Very low	117 Å²	117	143.6 Å²	143.6	76%	0.76	83%	0.828	S	S	*	*			trans	-104	158.3	-155.7	39	-31.9	0	0	0	114.9
20	L	32	Very low	29.4	Very low	173 Å²	173	150.1 Å²	150.1	91%	0.906	83%	0.829	S	S	*	*			trans	-108.6	111.7	166.4	-91.9	155.6	0	0	0	110.4	I22	L20-I22 PolarHBondContact O-N 3Å
21	R	26.3	Very low	29.8	Very low	239 Å²	239	155.1 Å²	155.1	90%	0.902	83%	0.833	S	S	*	*			trans	-57.3	121.2	168.3	-73.7	171.9	166.2	177.7	-4.4	110
22	I	33.5	Very low	29.9	Very low	163 Å²	163	161.8 Å²	161.8	84%	0.836	84%	0.84	S	S	*	*			trans	-119.2	123.4	156.4	-61.6	-179.5	0	0	0	107.2	L20	L20-I22 PolarHBondContact O-N 3Å
23	R	29.2	Very low	30.2	Very low	237 Å²	237	158.9 Å²	158.9	89%	0.894	84%	0.835	S	S	*	*			trans	-65.1	135.5	-172.5	-74.5	170.3	163.4	170.9	-5.9	111.4	A25	R23-A25 PolarHBondContact O-N 2.97Å
24	D	25.8	Very low	30.6	Very low	170 Å²	170	161.5 Å²	161.5	91%	0.909	83%	0.834	S	S	*	*			trans	-53.6	125.5	159.5	-72.3	-55.7	0	0	0	111
25	A	31.8	Very low	30.8	Very low	95 Å²	95	163.8 Å²	163.8	79%	0.785	84%	0.839	S	S	*	*			trans	-142.8	109.2	160.3	0	0	0	0	0	110.5	R23	R23-A25 PolarHBondContact O-N 2.97Å
26	A	31	Very low	30.7	Very low	94 Å²	94	168 Å²	168	78%	0.777	84%	0.838	S	S	*	*			trans	67.5	92.5	149.9	0	0	0	0	0	118.9	R28	A26-R28 PolarHBondContact O-N 3.42Å
27	R	27.1	Very low	31	Very low	244 Å²	244	169.4 Å²	169.4	92%	0.921	84%	0.841	S	S	*	*			trans	-25.2	112.3	137.4	-82.9	174.8	168	-168.1	-3.1	112.2
28	R	30.8	Very low	31.2	Very low	241 Å²	241	169.4 Å²	169.4	91%	0.909	84%	0.841	S	S	*	*			trans	-111.3	99.9	151.7	-86	-176.7	169.7	-179.7	-1.9	108.5	A26 R30	A26-R28 PolarHBondContact O-N 3.42Å; R28-R30 PolarHBondContact O-N 3.1Å
29	T	32.6	Very low	30.9	Very low	121 Å²	121	170 Å²	170	74%	0.742	84%	0.842	S	S	*	*			trans	-58.7	108.9	169	37.9	0	0	0	0	109.3	R31	T29-R31 PolarHBondContact O-N 2.87Å
30	R	32.2	Very low	30.7	Very low	244 Å²	244	169 Å²	169	92%	0.921	84%	0.844	S	S	*	*			trans	-68.1	97.2	166.1	-81.7	-177.2	171.8	-176.9	-2.2	108.1	R28 R32	R28-R30 PolarHBondContact O-N 3.1Å; R30-R32 PolarHBondContact O-N 3.38Å
31	R	30.2	Very low	30.7	Very low	237 Å²	237	166.5 Å²	166.5	89%	0.894	84%	0.84	S	S	*	*			trans	-59.7	116.7	165.4	-84	-177.5	169.7	-178.8	-2.8	108.4	T29 G33	T29-R31 PolarHBondContact O-N 2.87Å; R31-G33 PolarHBondContact O-N 3.5Å; R31-G33 VanDerWaalsContact O-N 3.1Å
32	R	31.2	Very low	31	Very low	229 Å²	229	158.3 Å²	158.3	86%	0.864	83%	0.831	S	S	*	*			trans	-62.7	102	164.4	-75.6	178.5	170.6	178	-3.5	108.1	R30 H34	R30-R32 PolarHBondContact O-N 3.38Å; R32-H34 PolarHBondContact O-N 3.21Å
33	G	31.3	Very low	31	Very low	68 Å²	68	155.4 Å²	155.4	70%	0.701	83%	0.831	S	S	*	*			trans	-76.9	104.2	166.6	0	0	0	0	0	109.1	R31 V35	R31-G33 PolarHBondContact O-N 3.5Å; R31-G33 VanDerWaalsContact O-N 3.1Å; G33-V35 PolarHBondContact O-N 2.97Å; G33-V35 VanDerWaalsContact O-N 3.12Å
34	H	31.7	Very low	31.2	Very low	171 Å²	171	149.2 Å²	149.2	79%	0.792	83%	0.831	S	S	*	*			trans	-67.7	99.6	164.2	-75.3	-81.4	0	0	0	108.5	R32 R36	R32-H34 PolarHBondContact O-N 3.21Å; H34-R36 PolarHBondContact O-N 3.09Å
35	V	33.2	Very low	31.4	Very low	136 Å²	136	150 Å²	150	82%	0.824	83%	0.829	S	S	*	*			trans	-78.9	100	164.1	-179.3	0	0	0	0	106.5	G33 C37	G33-V35 PolarHBondContact O-N 2.97Å; G33-V35 VanDerWaalsContact O-N 3.12Å; V35-C37 PolarHBondContact O-N 3.36Å
36	R	29.9	Very low	31.7	Very low	235 Å²	235	150 Å²	150	89%	0.887	83%	0.829	S	S	*	*			trans	-62.3	116.3	170	-81.8	179	162.1	175.7	-5.8	108.3	H34 A38	H34-R36 PolarHBondContact O-N 3.09Å; R36-A38 PolarHBondContact O-N 3.33Å; R36-A38 VanDerWaalsContact O-N 3.13Å
37	C	30.8	Very low	32.2	Very low	124 Å²	124	151.6 Å²	151.6	84%	0.838	83%	0.831	S	S	*	*			trans	-62.2	107.5	162.8	-78.5	0	0	0	0	108.4	V35 V39	V35-C37 PolarHBondContact O-N 3.36Å; C37-V39 PolarHBondContact O-N 3.39Å
38	A	32.5	Very low	32.8	Very low	97 Å²	97	144 Å²	144	80%	0.802	82%	0.82	S	S	*	*			trans	-78.5	110.7	161	0	0	0	0	0	107.1	R36 A40	R36-A38 PolarHBondContact O-N 3.33Å; R36-A38 VanDerWaalsContact O-N 3.13Å; A38-A40 PolarHBondContact O-N 3.42Å; A38-A40 VanDerWaalsContact O-N 3.11Å
39	V	29.3	Very low	33.3	Very low	135 Å²	135	136.6 Å²	136.6	82%	0.818	81%	0.811	S	S	*	*			trans	-71.5	98.8	171.4	-179.3	0	0	0	0	106.7	C37 S41	C37-V39 PolarHBondContact O-N 3.39Å; V39-S41 PolarHBondContact O-N 3.06Å
40	A	33.3	Very low	33.8	Very low	96 Å²	96	137.2 Å²	137.2	79%	0.793	82%	0.817	S	S	*	*			trans	-85.3	98	167.2	0	0	0	0	0	108	A38 G42	A38-A40 PolarHBondContact O-N 3.42Å; A38-A40 VanDerWaalsContact O-N 3.11Å; A40-G42 PolarHBondContact O-N 2.88Å
41	S	30.6	Very low	34.7	Very low	120 Å²	120	127.5 Å²	127.5	84%	0.839	79%	0.793	S	S	*	*			trans	-64.5	102	158.8	52	0	0	0	0	108.3	V39	V39-S41 PolarHBondContact O-N 3.06Å
42	G	32.6	Very low	36	Very low	68 Å²	68	120.2 Å²	120.2	70%	0.701	78%	0.783	S	S	*	*			trans	-133.8	107.2	173.9	0	0	0	0	0	108.6	A40	A40-G42 PolarHBondContact O-N 2.88Å
43	A	34.8	Very low	37.7	Very low	101 Å²	101	120 Å²	120	84%	0.835	78%	0.782	S	S	*	*			trans	-54.1	143.1	172.1	0	0	0	0	0	110.3	E45	A43-E45 PolarHBondContact O-N 3.32Å
44	A	33.5	Very low	40.4	Very low	108 Å²	108	119 Å²	119	89%	0.893	76%	0.763	S	S	*	*			trans	-63.8	101.6	177.1	0	0	0	0	0	110
45	E	28.7	Very low	43.3	Very low	187 Å²	187	114.9 Å²	114.9	87%	0.874	75%	0.753	S	S	*	*			trans	-149.3	117.1	166.6	-132.6	174.2	-168	0	0	111.7	A43	A43-E45 PolarHBondContact O-N 3.32Å
46	A	38.4	Very low	46.3	Very low	94 Å²	94	108.7 Å²	108.7	78%	0.777	72%	0.716	S	S	*	*			trans	135.3	130.1	143.9	0	0	0	0	0	113
47	P	41.5	Very low	49.4	Very low	128 Å²	128	99.4 Å²	99.4	83%	0.831	68%	0.684	S	S	*	*			trans	-74.8	139.3	-172.3	30.7	-32.2	0	0	0	110.9	A49	P47-A49 PolarHBondContact O-N 2.92Å
48	A	40.5	Very low	52.6	Low	83 Å²	83	93.5 Å²	93.5	69%	0.686	64%	0.644	S	S	*	*			trans	-51	138.7	170.6	0	0	0	0	0	110.7
49	A	40.6	Very low	55.8	Low	87 Å²	87	88.9 Å²	88.9	72%	0.719	61%	0.606	S	S	*	*			trans	-45.9	149.1	172.3	0	0	0	0	0	111	P47 G51	P47-A49 PolarHBondContact O-N 2.92Å; A49-G51 VanDerWaalsContact C-N 3.28Å; A49-G51 PolarHBondContact O-N 3.26Å
50	P	43.2	Very low	59.1	Low	133 Å²	133	82.5 Å²	82.5	86%	0.864	57%	0.567	S	S	*	*			trans	-69.9	82.9	-168.5	28.9	-33.9	0	0	0	111.2
51	G	51.1	Low	62.2	Low	40 Å²	40	78.2 Å²	78.2	41%	0.412	53%	0.531	S	S	.	.			trans	-62.3	154.1	161.8	0	0	0	0	0	109.7	A49 R53	A49-G51 VanDerWaalsContact C-N 3.28Å; A49-G51 PolarHBondContact O-N 3.26Å; G51-R53 PolarHBondContact O-N 3.39Å
52	A	56.7	Low	65.5	Low	84 Å²	84	72.7 Å²	72.7	69%	0.694	49%	0.493	S	S	*	.			trans	-48.8	113.7	-179.8	0	0	0	0	0	110.7	V54	A52-V54 PolarHBondContact O-N 2.93Å
53	R	67.2	Low	68.6	Low	225 Å²	225	69.4 Å²	69.4	85%	0.849	46%	0.46	S	S	*	.			trans	-73.1	110.1	176.6	-76.3	-177.9	174.3	176.9	-1.9	108.4	G51	G51-R53 PolarHBondContact O-N 3.39Å
54	V	88.6	Confident	71.6	Confident	48 Å²	48	65.3 Å²	65.3	29%	0.291	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139	170.3	-177.8	0	0	0	0	107.8	A52 V325 S326 V327 Q328	A52-V54 PolarHBondContact O-N 2.93Å; V54-V325 HydrophobicContact CG2-CG1 4.49Å; V54-S326 PolarHBondContact N-O 2.86Å; V54-V327 HydrophobicContact CB-CG1 4.38Å; V54-V327 HydrophobicContact CB-CG2 4.24Å; V54-V327 HydrophobicContact CG1-CG1 4.34Å; V54-V327 CarbonylContact O-C 3.47Å; V54-V327 VanDerWaalsContact O-CA 3.28Å; V54-V327 WeakPolarHBondContact O-CA 3.35Å; V54-Q328 PolarHBondContact O-N 3.35Å
55	S	93.1	Very high	74.7	Confident	84 Å²	84	61 Å²	61	59%	0.587	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.9	171.6	59.4	0	0	0	0	110.5	Q328	S55-Q328 CarbonylContact C-O 3.32Å; S55-Q328 VanDerWaalsContact CA-O 3.26Å; S55-Q328 WeakPolarHBondContact CA-O 3.36Å
56	A	95.5	Very high	78.1	Confident	6 Å²	6	52.5 Å²	52.5	5%	0.05	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.7	171	0	0	0	0	0	111.3	C58 V59 D82 L84 Q328 A329 K330	A56-C58 VanDerWaalsContact C-N 3.34Å; A56-V59 HydrophobicContact CB-CG2 4.16Å; A56-D82 VanDerWaalsContact CA-OD2 3.27Å; A56-D82 WeakPolarHBondContact CA-OD2 3.42Å; A56-L84 HydrophobicContact CB-CB 4.15Å; A56-Q328 PolarHBondContact N-O 3.38Å; A56-A329 VanDerWaalsContact O-CA 3.27Å; A56-A329 WeakPolarHBondContact O-CA 3.43Å; A56-K330 PolarHBondContact O-N 3.02Å
57	D	95.5	Very high	81	Confident	40 Å²	40	48 Å²	48	21%	0.214	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-39	167.6	-77	-25.4	0	0	0	110.9	V80 D82 K330 T331 L530	D57-V80 HydrophobicContact CB-CG1 4.34Å; D57-D82 HydrophobicContact CB-CB 4.14Å; D57-D82 WeakPolarHBondContact CB-O 3.19Å; D57-D82 PolarHBondContact N-O 3.13Å; D57-D82 PolarHBondContact N-OD2 2.59Å; D57-K330 WeakPolarHBondContact O-CB 3.31Å; D57-K330 PolarHBondContact O-N 3.48Å; D57-K330 VanDerWaalsContact OD1-CD 3.29Å; D57-K330 WeakPolarHBondContact OD1-CD 3.14Å; D57-K330 WeakPolarHBondContact OD1-CE 3.48Å; D57-K330 IonicContact OD1-NZ 3.36Å; D57-K330 PolarHBondContact OD1-NZ 3.05Å; D57-T331 PolarHBondContact O-N 3.28Å; D57-T331 PolarHBondContact O-OG1 2.92Å; D57-L530 HydrophobicContact CB-CD1 4.12Å; D57-L530 HydrophobicContact CB-CD2 4.17Å
58	C	98.1	Very high	83.7	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.4	177.2	-171.2	0	0	0	0	112.2	A56 L74 D82 V83 L84 T331 I526	A56-C58 VanDerWaalsContact C-N 3.34Å; C58-L74 HydrophobicContact CB-CD1 4.16Å; C58-D82 PolarHBondContact N-O 2.77Å; C58-D82 VanDerWaalsContact N-O 3.14Å; C58-V83 HydrophobicContact CB-CG1 4.39Å; C58-V83 HydrophobicContact CB-CG2 4.22Å; C58-V83 CarbonylContact O-C 3.59Å; C58-V83 VanDerWaalsContact O-CA 3.31Å; C58-V83 WeakPolarHBondContact O-CA 3.43Å; C58-L84 PolarHBondContact O-N 2.75Å; C58-T331 WeakPolarHBondContact CA-O 3.48Å; C58-T331 WeakPolarHBondContact CA-OG1 3.23Å; C58-T331 VanDerWaalsContact CB-OG1 3.32Å; C58-T331 WeakPolarHBondContact CB-OG1 3.45Å; C58-T331 PolarHBondContact SG-OG1 2.87Å; C58-T331 VanDerWaalsContact SG-OG1 3.4Å; C58-I526 HydrophobicContact CB-CG2 4.22Å
59	V	98.6	Very high	86.5	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.5	166.3	178.4	0	0	0	0	109.9	A56 V61 L84 T86 L316 Y318 V327 A329 T331 V332 V333	A56-V59 HydrophobicContact CB-CG2 4.16Å; V59-V61 HydrophobicContact CG1-CG2 4.21Å; V59-L84 CarbonylContact C-O 3.24Å; V59-L84 WeakPolarHBondContact CA-O 3.5Å; V59-L84 HydrophobicContact CG2-CB 4.26Å; V59-T86 HydrophobicContact CG1-CG2 4.38Å; V59-L316 HydrophobicContact CB-CD2 4.35Å; V59-L316 HydrophobicContact CG1-CD2 3.95Å; V59-L316 HydrophobicContact CG2-CD1 4.38Å; V59-Y318 VanDerWaalsContact CG1-OH 3.26Å; V59-Y318 WeakPolarHBondContact CG1-OH 2.99Å; V59-V327 HydrophobicContact CG2-CG1 3.85Å; V59-A329 HydrophobicContact CB-CB 4.11Å; V59-A329 HydrophobicContact CG2-CB 3.53Å; V59-T331 PolarHBondContact N-O 3.37Å; V59-V332 CarbonylContact O-C 3.47Å; V59-V332 VanDerWaalsContact O-CA 3.3Å; V59-V332 WeakPolarHBondContact O-CA 3.5Å; V59-V333 PolarHBondContact O-N 3.04Å
60	V	98.9	Very high	89.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.6	173.4	-179.4	0	0	0	0	108.9	A71 V83 L84 V85 T86 V333 T335	V60-A71 HydrophobicContact CG2-CB 4.19Å; V60-V83 HydrophobicContact CG2-CG1 3.91Å; V60-L84 PolarHBondContact N-O 2.93Å; V60-V85 HydrophobicContact CB-CG1 4.48Å; V60-V85 HydrophobicContact CB-CG2 4.19Å; V60-V85 HydrophobicContact CG1-CG1 4.43Å; V60-V85 WeakPolarHBondContact O-CA 3.33Å; V60-T86 PolarHBondContact O-N 2.99Å; V60-V333 HydrophobicContact CB-CG1 4.01Å; V60-V333 HydrophobicContact CG1-CG1 4.01Å; V60-V333 HydrophobicContact CG2-CG1 3.67Å; V60-T335 HydrophobicContact CG1-CG2 4.32Å
61	V	98.9	Very high	91.9	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.2	179.1	-172	0	0	0	0	108.8	V59 L303 L316 V332 V333 M334 T335 I336	V59-V61 HydrophobicContact CG1-CG2 4.21Å; V61-L303 HydrophobicContact CB-CD2 4.44Å; V61-L303 HydrophobicContact CG1-CB 4.3Å; V61-L303 HydrophobicContact CG1-CD2 3.78Å; V61-L303 HydrophobicContact CG2-CD2 3.83Å; V61-L316 HydrophobicContact CG2-CD2 4.21Å; V61-V332 HydrophobicContact CG2-CG1 3.89Å; V61-V333 PolarHBondContact N-O 3.11Å; V61-M334 HydrophobicContact CB-CE 4.48Å; V61-M334 HydrophobicContact CB-SD 3.77Å; V61-M334 HydrophobicContact CG1-CE 4.28Å; V61-M334 HydrophobicContact CG1-SD 4.2Å; V61-M334 HydrophobicContact CG2-SD 3.66Å; V61-T335 WeakPolarHBondContact O-CA 3.49Å; V61-T335 PolarHBondContact O-N 3.27Å; V61-T335 PolarHBondContact O-OG1 2.85Å; V61-I336 HydrophobicContact CG1-CD1 4.24Å; V61-I336 HydrophobicContact CG1-CG2 3.96Å; V61-I336 PolarHBondContact O-N 3.28Å
62	G	98.8	Very high	94.2	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	15%	0.147	C	C	.	.			trans	109.4	115.9	-176.8	0	0	0	0	0	112.6	G64 T86 T335	G62-G64 PolarHBondContact O-N 2.91Å; G62-T86 WeakPolarHBondContact CA-O 3.41Å; G62-T86 PolarHBondContact N-O 3.3Å; G62-T335 PolarHBondContact O-OG1 3.37Å
63	G	98.6	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.			trans	-85.4	28.4	174.8	0	0	0	0	0	113.3	L68 E87 P92 G93	G63-L68 WeakPolarHBondContact O-CD1 3.32Å; G63-E87 WeakPolarHBondContact CA-OE2 3.49Å; G63-E87 PolarHBondContact N-OE2 2.9Å; G63-P92 CarbonylContact O-C 3.54Å; G63-G93 PolarHBondContact O-N 3.21Å
64	G	98.6	Very high	97.6	Very high	15 Å²	15	11.2 Å²	11.2	16%	0.155	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-78.2	174.9	171.1	0	0	0	0	0	112.4	G62 S66 G67 L68	G62-G64 PolarHBondContact O-N 2.91Å; G64-S66 VanDerWaalsContact C-N 3.26Å; G64-S66 PolarHBondContact O-N 2.95Å; G64-G67 PolarHBondContact O-N 3.15Å; G64-G67 VanDerWaalsContact O-N 3.11Å; G64-L68 WeakPolarHBondContact O-CB 3.34Å; G64-L68 WeakPolarHBondContact O-CG 3.4Å; G64-L68 PolarHBondContact O-N 3.44Å
65	I	98.7	Very high	98	Very high	17 Å²	17	10.4 Å²	10.4	9%	0.087	7%	0.073	C	C	.	.	H	α-helix	trans	-58.5	-37.5	-178.4	-166.8	61.5	0	0	0	112.7	C69 I96 L285 I289 L512 C515 V516	I65-C69 VanDerWaalsContact CD1-SG 3.59Å; I65-C69 WeakPolarHBondContact O-CB 3.5Å; I65-C69 PolarHBondContact O-N 3.09Å; I65-C69 PolarHBondContact O-SG 2.92Å; I65-I96 HydrophobicContact CB-CD1 3.8Å; I65-I96 HydrophobicContact CD1-CD1 4.12Å; I65-I96 HydrophobicContact CG1-CD1 4.02Å; I65-I96 HydrophobicContact CG2-CD1 4.35Å; I65-L285 HydrophobicContact CD1-CD2 3.68Å; I65-L285 HydrophobicContact CD1-CG 3.85Å; I65-I289 HydrophobicContact CD1-CD1 4.1Å; I65-L512 HydrophobicContact CG1-CG 4.47Å; I65-C515 HydrophobicContact CG2-CB 3.84Å; I65-V516 HydrophobicContact CG1-CG2 4.24Å
66	S	98.8	Very high	98.1	Very high	9 Å²	9	10 Å²	10	6%	0.063	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-49.3	174.7	-61.5	0	0	0	0	112	G64 T70 G504 C515	G64-S66 VanDerWaalsContact C-N 3.26Å; G64-S66 PolarHBondContact O-N 2.95Å; S66-T70 WeakPolarHBondContact O-CB 3.4Å; S66-T70 PolarHBondContact O-N 3.1Å; S66-T70 PolarHBondContact O-OG1 3.48Å; S66-G504 WeakPolarHBondContact OG-CA 3.45Å; S66-C515 VanDerWaalsContact OG-CB 3.31Å; S66-C515 WeakPolarHBondContact OG-CB 3.41Å
67	G	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.8	-48.5	-178.5	0	0	0	0	0	112.6	G64 C69 T70 A71 T335	G64-G67 PolarHBondContact O-N 3.15Å; G64-G67 VanDerWaalsContact O-N 3.11Å; G67-C69 PolarHBondContact O-N 3.49Å; G67-T70 WeakPolarHBondContact O-CB 3.37Å; G67-T70 PolarHBondContact O-N 2.86Å; G67-A71 PolarHBondContact O-N 3Å; G67-T335 WeakPolarHBondContact CA-OG1 3.44Å
68	L	98.9	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-47.1	177.9	-70.3	171.1	0	0	0	111.7	G63 G64 T70 A71 Q72 V85 P92 P286 I289 L293 V297	G63-L68 WeakPolarHBondContact O-CD1 3.32Å; G64-L68 WeakPolarHBondContact O-CB 3.34Å; G64-L68 WeakPolarHBondContact O-CG 3.4Å; G64-L68 PolarHBondContact O-N 3.44Å; L68-T70 VanDerWaalsContact C-N 3.31Å; L68-T70 PolarHBondContact O-N 3.01Å; L68-A71 PolarHBondContact O-N 3.35Å; L68-Q72 PolarHBondContact O-N 3.39Å; L68-V85 HydrophobicContact CD2-CG1 4.27Å; L68-P92 HydrophobicContact CD1-CB 4.09Å; L68-P286 HydrophobicContact CD1-CB 3.45Å; L68-P286 VanDerWaalsContact CD1-CB 3.45Å; L68-I289 HydrophobicContact CB-CB 4.36Å; L68-I289 HydrophobicContact CB-CD1 4.28Å; L68-I289 HydrophobicContact CB-CG2 3.77Å; L68-I289 HydrophobicContact CD2-CG2 4.35Å; L68-I289 WeakPolarHBondContact O-CG2 3.47Å; L68-L293 HydrophobicContact CD2-CD1 4.34Å; L68-V297 HydrophobicContact CD2-CG2 4.31Å
69	C	98.8	Very high	97.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-34.3	175.6	-71	0	0	0	0	112.6	I65 G67 A73 M124 A519	I65-C69 VanDerWaalsContact CD1-SG 3.59Å; I65-C69 WeakPolarHBondContact O-CB 3.5Å; I65-C69 PolarHBondContact O-N 3.09Å; I65-C69 PolarHBondContact O-SG 2.92Å; G67-C69 PolarHBondContact O-N 3.49Å; C69-A73 WeakPolarHBondContact O-CB 3.43Å; C69-A73 PolarHBondContact O-N 3.47Å; C69-M124 HydrophobicContact CB-CE 3.7Å; C69-M124 HydrophobicContact CB-SD 4.28Å; C69-M124 WeakPolarHBondContact O-CE 3.49Å; C69-A519 HydrophobicContact CB-CB 3.46Å; C69-A519 VanDerWaalsContact CB-CB 3.46Å
70	T	98.9	Very high	97.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-46.8	177.9	-59.6	0	0	0	0	109.7	S66 G67 L68 A73 L74 V333 A519 A523 I526	S66-T70 WeakPolarHBondContact O-CB 3.4Å; S66-T70 PolarHBondContact O-N 3.1Å; S66-T70 PolarHBondContact O-OG1 3.48Å; G67-T70 WeakPolarHBondContact O-CB 3.37Å; G67-T70 PolarHBondContact O-N 2.86Å; L68-T70 VanDerWaalsContact C-N 3.31Å; L68-T70 PolarHBondContact O-N 3.01Å; T70-A73 PolarHBondContact O-N 3.11Å; T70-L74 HydrophobicContact CG2-CD1 4.22Å; T70-L74 WeakPolarHBondContact O-CB 3.33Å; T70-L74 WeakPolarHBondContact O-CG 3.08Å; T70-L74 PolarHBondContact O-N 3.01Å; T70-V333 HydrophobicContact CG2-CG1 4.28Å; T70-A519 WeakPolarHBondContact OG1-CA 3.4Å; T70-A519 WeakPolarHBondContact OG1-CB 3.39Å; T70-A523 HydrophobicContact CG2-CB 4.47Å; T70-I526 HydrophobicContact CG2-CD1 4Å
71	A	98.8	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-42.9	177.2	0	0	0	0	0	112.5	V60 G67 L68 L74 A75 V83 V85 L293	V60-A71 HydrophobicContact CG2-CB 4.19Å; G67-A71 PolarHBondContact O-N 3Å; L68-A71 PolarHBondContact O-N 3.35Å; A71-L74 PolarHBondContact O-N 2.84Å; A71-A75 PolarHBondContact O-N 3.43Å; A71-A75 VanDerWaalsContact O-N 3.08Å; A71-V83 HydrophobicContact CB-CG1 3.79Å; A71-V85 HydrophobicContact CB-CG2 3.33Å; A71-L293 HydrophobicContact CB-CD1 3.8Å; A71-L293 HydrophobicContact CB-CD2 4.32Å
72	Q	98.5	Very high	96.9	Very high	5 Å²	5	25 Å²	25	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-45.7	175.6	-178.8	160.5	-45.8	0	0	111.5	L68 L74 A75 T76 M124 S128 I289	L68-Q72 PolarHBondContact O-N 3.39Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 3.39Å; Q72-A75 PolarHBondContact O-N 3Å; Q72-T76 HydrophobicContact CG-CG2 4Å; Q72-T76 WeakPolarHBondContact O-CG2 3.46Å; Q72-T76 PolarHBondContact O-N 3.46Å; Q72-T76 PolarHBondContact O-OG1 3.12Å; Q72-M124 HydrophobicContact CB-SD 4.02Å; Q72-M124 HydrophobicContact CG-SD 3.87Å; Q72-M124 PolarHBondContact NE2-SD 2.94Å; Q72-M124 VanDerWaalsContact NE2-SD 3.38Å; Q72-S128 PolarHBondContact NE2-OG 3.32Å; Q72-S128 PolarHBondContact OE1-OG 3.21Å; Q72-I289 HydrophobicContact CB-CG2 3.98Å; Q72-I289 VanDerWaalsContact OE1-CG1 3.29Å; Q72-I289 VanDerWaalsContact OE1-CG2 3.32Å
73	A	98.4	Very high	96.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-39	178.2	0	0	0	0	0	112.3	C69 T70 K77 H78 M124 Y520 A523	C69-A73 WeakPolarHBondContact O-CB 3.43Å; C69-A73 PolarHBondContact O-N 3.47Å; T70-A73 PolarHBondContact O-N 3.11Å; A73-K77 WeakPolarHBondContact O-CA 3.34Å; A73-K77 VanDerWaalsContact O-CB 3.23Å; A73-K77 WeakPolarHBondContact O-CB 3.47Å; A73-K77 PolarHBondContact O-N 2.74Å; A73-H78 PolarHBondContact O-N 3.47Å; A73-M124 HydrophobicContact CB-CE 4.4Å; A73-Y520 HydrophobicContact CB-CD1 3.71Å; A73-Y520 HydrophobicContact CB-CE1 3.82Å; A73-Y520 HydrophobicContact CB-CG 4.44Å; A73-A523 HydrophobicContact CB-CB 3.72Å
74	L	98.3	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-48.1	172.1	-80.9	170.4	0	0	0	111.4	C58 T70 A71 Q72 H78 G79 V80 V83 A523 I526	C58-L74 HydrophobicContact CB-CD1 4.16Å; T70-L74 HydrophobicContact CG2-CD1 4.22Å; T70-L74 WeakPolarHBondContact O-CB 3.33Å; T70-L74 WeakPolarHBondContact O-CG 3.08Å; T70-L74 PolarHBondContact O-N 3.01Å; A71-L74 PolarHBondContact O-N 2.84Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 3.39Å; L74-H78 CarbonylContact O-C 3.57Å; L74-H78 WeakPolarHBondContact O-CB 3.37Å; L74-H78 PolarHBondContact O-N 2.82Å; L74-G79 PolarHBondContact O-N 3.03Å; L74-G79 VanDerWaalsContact O-N 3.11Å; L74-V80 CarbonylContact C-O 3.57Å; L74-V80 HydrophobicContact CB-CB 4.2Å; L74-V80 HydrophobicContact CD2-CB 4.18Å; L74-V80 HydrophobicContact CD2-CG2 4.22Å; L74-V80 PolarHBondContact O-N 3.07Å; L74-V83 HydrophobicContact CB-CG2 4.04Å; L74-V83 HydrophobicContact CD1-CG1 4.35Å; L74-V83 HydrophobicContact CD1-CG2 4.03Å; L74-A523 HydrophobicContact CD2-CB 4.06Å; L74-A523 WeakPolarHBondContact CD2-O 3.47Å; L74-A523 HydrophobicContact CG-CB 3.87Å; L74-I526 HydrophobicContact CD1-CD1 4.24Å; L74-I526 HydrophobicContact CD1-CG2 4.15Å; L74-I526 HydrophobicContact CD2-CB 4.06Å; L74-I526 HydrophobicContact CD2-CG2 3.82Å
75	A	96	Very high	96.9	Very high	32 Å²	32	24.9 Å²	24.9	26%	0.264	16%	0.157	S	C	.	.	H	α-helix	trans	-68.4	-46.7	-179.5	0	0	0	0	0	112.9	A71 Q72 V80	A71-A75 PolarHBondContact O-N 3.43Å; A71-A75 VanDerWaalsContact O-N 3.08Å; Q72-A75 PolarHBondContact O-N 3Å; A75-V80 WeakPolarHBondContact CA-O 3.02Å
76	T	94.8	Very high	96.9	Very high	75 Å²	75	24.2 Å²	24.2	46%	0.46	15%	0.154	S	C	.	.	H	α-helix	trans	-88.2	-35.1	-170.3	62.7	0	0	0	0	113.9	Q72	Q72-T76 HydrophobicContact CG-CG2 4Å; Q72-T76 WeakPolarHBondContact O-CG2 3.46Å; Q72-T76 PolarHBondContact O-N 3.46Å; Q72-T76 PolarHBondContact O-OG1 3.12Å
77	K	94.9	Very high	96.9	Very high	132 Å²	132	24.5 Å²	24.5	57%	0.574	15%	0.154	S	C	*	.	H	α-helix	trans	-98.7	-30.8	-175.4	-171.5	176.1	179	179.8	0	113.1	A73 Y520	A73-K77 WeakPolarHBondContact O-CA 3.34Å; A73-K77 VanDerWaalsContact O-CB 3.23Å; A73-K77 WeakPolarHBondContact O-CB 3.47Å; A73-K77 PolarHBondContact O-N 2.74Å; K77-Y520 HydrophobicContact CD-CD1 3.91Å; K77-Y520 HydrophobicContact CD-CE1 4.06Å
78	H	96	Very high	96.8	Very high	49 Å²	49	27.2 Å²	27.2	23%	0.227	18%	0.176	C	C	.	.	S	Bend	trans	-113.3	-3.3	-174.3	-63.9	-82.7	0	0	0	113.7	A73 L74 V80 S527	A73-H78 PolarHBondContact O-N 3.47Å; L74-H78 CarbonylContact O-C 3.57Å; L74-H78 WeakPolarHBondContact O-CB 3.37Å; L74-H78 PolarHBondContact O-N 2.82Å; H78-V80 HydrophobicContact CB-CG2 4.14Å; H78-V80 PolarHBondContact O-N 2.88Å; H78-V80 VanDerWaalsContact O-N 3.16Å; H78-S527 WeakPolarHBondContact ND1-CB 3.49Å; H78-S527 PolarHBondContact ND1-OG 2.85Å
79	G	93.9	Very high	96.8	Very high	65 Å²	65	31.4 Å²	31.4	67%	0.67	19%	0.192	S	C	*	.			trans	65.9	12.7	-179.8	0	0	0	0	0	114.3	L74 G81	L74-G79 PolarHBondContact O-N 3.03Å; L74-G79 VanDerWaalsContact O-N 3.11Å; G79-G81 PolarHBondContact O-N 2.93Å; G79-G81 VanDerWaalsContact O-N 3.08Å
80	V	92.9	Very high	96.8	Very high	17 Å²	17	35.2 Å²	35.2	10%	0.103	22%	0.224	C	C	.	.			trans	-81.1	91.6	177.6	-177.9	0	0	0	0	107.7	D57 L74 A75 H78 V83 L530	D57-V80 HydrophobicContact CB-CG1 4.34Å; L74-V80 CarbonylContact C-O 3.57Å; L74-V80 HydrophobicContact CB-CB 4.2Å; L74-V80 HydrophobicContact CD2-CB 4.18Å; L74-V80 HydrophobicContact CD2-CG2 4.22Å; L74-V80 PolarHBondContact O-N 3.07Å; A75-V80 WeakPolarHBondContact CA-O 3.02Å; H78-V80 HydrophobicContact CB-CG2 4.14Å; H78-V80 PolarHBondContact O-N 2.88Å; H78-V80 VanDerWaalsContact O-N 3.16Å; V80-V83 HydrophobicContact CG1-CG2 3.92Å; V80-V83 WeakPolarHBondContact O-CG2 3.48Å; V80-L530 HydrophobicContact CG1-CD1 3.77Å; V80-L530 HydrophobicContact CG2-CD1 4.24Å
81	G	87.9	Confident	96.7	Very high	35 Å²	35	39.2 Å²	39.2	36%	0.361	24%	0.239	S	C	.	.			trans	-79.2	-29.3	-176.2	0	0	0	0	0	114.1	G79 V83 K296	G79-G81 PolarHBondContact O-N 2.93Å; G79-G81 VanDerWaalsContact O-N 3.08Å; G81-V83 VanDerWaalsContact C-N 3.32Å; G81-V83 PolarHBondContact O-N 2.94Å; G81-K296 VanDerWaalsContact O-CE 3.27Å; G81-K296 WeakPolarHBondContact O-CE 3.45Å; G81-K296 PolarHBondContact O-NZ 3.23Å
82	D	95.3	Very high	96.7	Very high	69 Å²	69	40 Å²	40	37%	0.369	24%	0.244	S	C	.	.			trans	-85.9	72.5	-175.1	-169	21.5	0	0	0	111.6	A56 D57 C58	A56-D82 VanDerWaalsContact CA-OD2 3.27Å; A56-D82 WeakPolarHBondContact CA-OD2 3.42Å; D57-D82 HydrophobicContact CB-CB 4.14Å; D57-D82 WeakPolarHBondContact CB-O 3.19Å; D57-D82 PolarHBondContact N-O 3.13Å; D57-D82 PolarHBondContact N-OD2 2.59Å; C58-D82 PolarHBondContact N-O 2.77Å; C58-D82 VanDerWaalsContact N-O 3.14Å
83	V	98	Very high	96.7	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134	-177.7	-176.5	0	0	0	0	109.6	C58 V60 A71 L74 V80 G81 K296	C58-V83 HydrophobicContact CB-CG1 4.39Å; C58-V83 HydrophobicContact CB-CG2 4.22Å; C58-V83 CarbonylContact O-C 3.59Å; C58-V83 VanDerWaalsContact O-CA 3.31Å; C58-V83 WeakPolarHBondContact O-CA 3.43Å; V60-V83 HydrophobicContact CG2-CG1 3.91Å; A71-V83 HydrophobicContact CB-CG1 3.79Å; L74-V83 HydrophobicContact CB-CG2 4.04Å; L74-V83 HydrophobicContact CD1-CG1 4.35Å; L74-V83 HydrophobicContact CD1-CG2 4.03Å; V80-V83 HydrophobicContact CG1-CG2 3.92Å; V80-V83 WeakPolarHBondContact O-CG2 3.48Å; G81-V83 VanDerWaalsContact C-N 3.32Å; G81-V83 PolarHBondContact O-N 2.94Å; V83-K296 WeakPolarHBondContact O-CB 3.39Å; V83-K296 WeakPolarHBondContact O-CD 3.31Å; V83-K296 WeakPolarHBondContact O-CG 3.27Å
84	L	98.3	Very high	96.6	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130	172.8	-168.4	75.4	0	0	0	109.6	A56 C58 V59 V60 T86 K296 K298 V327	A56-L84 HydrophobicContact CB-CB 4.15Å; C58-L84 PolarHBondContact O-N 2.75Å; V59-L84 CarbonylContact C-O 3.24Å; V59-L84 WeakPolarHBondContact CA-O 3.5Å; V59-L84 HydrophobicContact CG2-CB 4.26Å; V60-L84 PolarHBondContact N-O 2.93Å; L84-T86 HydrophobicContact CD2-CG2 3.85Å; L84-T86 HydrophobicContact CG-CG2 4.09Å; L84-K296 WeakPolarHBondContact CD1-O 3.4Å; L84-K298 HydrophobicContact CD1-CD 4.46Å; L84-K298 HydrophobicContact CD1-CG 3.72Å; L84-K298 HydrophobicContact CG-CG 4.31Å; L84-V327 HydrophobicContact CD2-CG1 3.93Å; L84-V327 HydrophobicContact CD2-CG2 4.12Å
85	V	98.9	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.4	170.9	-173.9	0	0	0	0	108.5	V60 L68 A71 L293 K296 V297 K298	V60-V85 HydrophobicContact CB-CG1 4.48Å; V60-V85 HydrophobicContact CB-CG2 4.19Å; V60-V85 HydrophobicContact CG1-CG1 4.43Å; V60-V85 WeakPolarHBondContact O-CA 3.33Å; L68-V85 HydrophobicContact CD2-CG1 4.27Å; A71-V85 HydrophobicContact CB-CG2 3.33Å; V85-L293 HydrophobicContact CG2-CD1 4.13Å; V85-K296 PolarHBondContact N-O 3.17Å; V85-V297 HydrophobicContact CB-CG1 4.44Å; V85-V297 HydrophobicContact CB-CG2 4.23Å; V85-V297 HydrophobicContact CG2-CG2 4.45Å; V85-V297 CarbonylContact O-C 3.45Å; V85-V297 WeakPolarHBondContact O-CA 3.24Å; V85-K298 PolarHBondContact O-N 2.86Å
86	T	98.8	Very high	96.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.4	179.2	61.6	0	0	0	0	111.1	V59 V60 G62 L84 K298 W301 Y318	V59-T86 HydrophobicContact CG1-CG2 4.38Å; V60-T86 PolarHBondContact O-N 2.99Å; G62-T86 WeakPolarHBondContact CA-O 3.41Å; G62-T86 PolarHBondContact N-O 3.3Å; L84-T86 HydrophobicContact CD2-CG2 3.85Å; L84-T86 HydrophobicContact CG-CG2 4.09Å; T86-K298 WeakPolarHBondContact CA-O 3.41Å; T86-K298 HydrophobicContact CG2-CB 4.44Å; T86-W301 HydrophobicContact CG2-CE3 4.22Å; T86-Y318 VanDerWaalsContact CB-CE1 3.45Å; T86-Y318 HydrophobicContact CG2-CD1 4.42Å; T86-Y318 HydrophobicContact CG2-CE1 3.63Å; T86-Y318 HydrophobicContact CG2-CE2 4.31Å; T86-Y318 WeakPolarHBondContact CG2-OH 3.48Å; T86-Y318 VanDerWaalsContact OG1-CE1 3.28Å; T86-Y318 WeakPolarHBondContact OG1-CE1 3.31Å; T86-Y318 PolarHBondContact OG1-OH 3.17Å
87	E	98.8	Very high	96.8	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130	-179.5	171.8	51.9	-140	0	0	110.4	G63 R89 R91 K298 L299 S300 W301	G63-E87 WeakPolarHBondContact CA-OE2 3.49Å; G63-E87 PolarHBondContact N-OE2 2.9Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 HydrophobicContact CG-CB 4.32Å; E87-R89 PolarHBondContact O-N 2.98Å; E87-R89 VanDerWaalsContact OE1-CB 3.27Å; E87-R89 WeakPolarHBondContact OE1-CB 3.48Å; E87-R89 WeakPolarHBondContact OE1-CG 3.25Å; E87-R89 IonicContact OE1-CZ 2.82Å; E87-R89 PolarHBondContact OE1-N 3.16Å; E87-R89 IonicContact OE1-NE 3.49Å; E87-R89 PolarHBondContact OE1-NE 2.79Å; E87-R89 IonicContact OE1-NH2 2.92Å; E87-R89 PolarHBondContact OE1-NH2 3.06Å; E87-R91 WeakPolarHBondContact CG-O 3.41Å; E87-K298 PolarHBondContact N-O 3.28Å; E87-L299 HydrophobicContact CB-CD2 3.95Å; E87-L299 HydrophobicContact CG-CD2 4.13Å; E87-L299 CarbonylContact O-C 3.57Å; E87-S300 CarbonylContact O-C 3.22Å; E87-S300 PolarHBondContact O-N 2.73Å; E87-W301 CarbonylContact C-O 3.57Å; E87-W301 VanDerWaalsContact C-O 3.32Å; E87-W301 PolarHBondContact O-N 2.91Å
88	A	98.6	Very high	97	Very high	57 Å²	57	34.5 Å²	34.5	47%	0.471	22%	0.217	S	C	.	.	S	Bend	trans	-70.4	-26.8	-177.9	0	0	0	0	0	113.2	W301 K302	A88-W301 PolarHBondContact N-O 2.88Å; A88-K302 HydrophobicContact CB-CB 4.02Å; A88-K302 HydrophobicContact CB-CG 4.21Å
89	R	98.2	Very high	97.1	Very high	89 Å²	89	33.2 Å²	33.2	34%	0.336	22%	0.215	S	C	.	.	S	Bend	trans	-85.9	161.3	176.9	-65.6	173.8	-68.9	177.6	-5.1	111.8	E87 R91 G94 S300	E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 HydrophobicContact CG-CB 4.32Å; E87-R89 PolarHBondContact O-N 2.98Å; E87-R89 VanDerWaalsContact OE1-CB 3.27Å; E87-R89 WeakPolarHBondContact OE1-CB 3.48Å; E87-R89 WeakPolarHBondContact OE1-CG 3.25Å; E87-R89 IonicContact OE1-CZ 2.82Å; E87-R89 PolarHBondContact OE1-N 3.16Å; E87-R89 IonicContact OE1-NE 3.49Å; E87-R89 PolarHBondContact OE1-NE 2.79Å; E87-R89 IonicContact OE1-NH2 2.92Å; E87-R89 PolarHBondContact OE1-NH2 3.06Å; R89-R91 PolarHBondContact O-N 3.18Å; R89-G94 PolarHBondContact NH1-O 3Å; R89-G94 PolarHBondContact NH2-O 3.12Å; R89-S300 PolarHBondContact O-N 3.36Å
90	A	98.1	Very high	97.3	Very high	79 Å²	79	35.5 Å²	35.5	65%	0.653	21%	0.209	S	C	*	.	S	Bend	trans	-71.9	6.7	175.5	0	0	0	0	0	114.5	S300	A90-S300 WeakPolarHBondContact CA-OG 3.23Å
91	R	98	Very high	97.5	Very high	85 Å²	85	38.7 Å²	38.7	32%	0.321	22%	0.219	S	C	.	.	S	Bend	trans	-143.6	149.5	-179.3	67.1	166.3	-171.6	77.5	-8.7	111.9	E87 R89 G94 T97	E87-R91 WeakPolarHBondContact CG-O 3.41Å; R89-R91 PolarHBondContact O-N 3.18Å; R91-G94 PolarHBondContact NH1-O 2.74Å; R91-G94 PolarHBondContact NH2-O 3.33Å; R91-T97 PolarHBondContact NH2-OG1 3.22Å
92	P	98.3	Very high	97.6	Very high	18 Å²	18	40.4 Å²	40.4	12%	0.117	23%	0.23	C	C	.	.	S	Bend	trans	-76.6	-176.7	169.7	35.5	-36.3	0	0	0	111.2	G63 L68 T290 L299	G63-P92 CarbonylContact O-C 3.54Å; L68-P92 HydrophobicContact CD1-CB 4.09Å; P92-T290 HydrophobicContact CB-CG2 4.49Å; P92-T290 WeakPolarHBondContact CB-OG1 3.28Å; P92-T290 HydrophobicContact CG-CG2 4.26Å; P92-L299 HydrophobicContact CB-CD2 4.34Å
93	G	98	Very high	97.5	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.021	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	101.3	-12.2	166	0	0	0	0	0	115.5	G63 N95 I96 P286	G63-G93 PolarHBondContact O-N 3.21Å; G93-N95 PolarHBondContact O-N 2.69Å; G93-I96 VanDerWaalsContact O-CB 3.29Å; G93-I96 WeakPolarHBondContact O-CB 3.38Å; G93-I96 PolarHBondContact O-N 3.23Å; G93-P286 VanDerWaalsContact CA-CB 3.46Å
94	G	97.3	Very high	97.5	Very high	7 Å²	7	45.8 Å²	45.8	7%	0.072	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-127.3	175.8	0	0	0	0	0	111.1	R89 R91 I96	R89-G94 PolarHBondContact NH1-O 3Å; R89-G94 PolarHBondContact NH2-O 3.12Å; R91-G94 PolarHBondContact NH1-O 2.74Å; R91-G94 PolarHBondContact NH2-O 3.33Å; G94-I96 VanDerWaalsContact C-N 3.32Å
95	N	96.7	Very high	97.4	Very high	66 Å²	66	46.9 Å²	46.9	35%	0.353	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.3	174.6	-64	-4.8	0	0	0	112.5	G93 T97 P112 W470	G93-N95 PolarHBondContact O-N 2.69Å; N95-T97 PolarHBondContact O-N 3.14Å; N95-T97 PolarHBondContact O-OG1 3.49Å; N95-P112 WeakPolarHBondContact O-CD 3.47Å; N95-W470 HydrophobicContact CB-CH2 4.4Å
96	I	98.4	Very high	97.4	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	29%	0.292	C	S	.	.			trans	-67.3	117.2	173.3	-59.3	176.4	0	0	0	107.7	I65 G93 G94 P112 L282 P286 L512	I65-I96 HydrophobicContact CB-CD1 3.8Å; I65-I96 HydrophobicContact CD1-CD1 4.12Å; I65-I96 HydrophobicContact CG1-CD1 4.02Å; I65-I96 HydrophobicContact CG2-CD1 4.35Å; G93-I96 VanDerWaalsContact O-CB 3.29Å; G93-I96 WeakPolarHBondContact O-CB 3.38Å; G93-I96 PolarHBondContact O-N 3.23Å; G94-I96 VanDerWaalsContact C-N 3.32Å; I96-P112 HydrophobicContact CG1-CG 3.74Å; I96-L282 HydrophobicContact CG2-CB 3.61Å; I96-P286 HydrophobicContact CB-CG 4.41Å; I96-P286 HydrophobicContact CD1-CG 4.31Å; I96-P286 HydrophobicContact CG2-CG 4.24Å; I96-L512 HydrophobicContact CD1-CD1 3.78Å; I96-L512 HydrophobicContact CG1-CD1 4.44Å
97	T	97.6	Very high	97.4	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.117	30%	0.295	C	S	.	.			trans	-146.8	102.5	-178.6	-49.5	0	0	0	0	107.6	R91 N95 E110	R91-T97 PolarHBondContact NH2-OG1 3.22Å; N95-T97 PolarHBondContact O-N 3.14Å; N95-T97 PolarHBondContact O-OG1 3.49Å; T97-E110 HydrophobicContact CG2-CB 4.3Å; T97-E110 WeakPolarHBondContact CG2-OE2 3.35Å; T97-E110 PolarHBondContact O-N 2.99Å
98	T	98.5	Very high	97.4	Very high	28 Å²	28	47.6 Å²	47.6	17%	0.172	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.3	169.1	-50.3	0	0	0	0	109.2	L107 W108 E109 L282 T283	T98-L107 HydrophobicContact CG2-CD1 3.38Å; T98-L107 HydrophobicContact CG2-CG 4.17Å; T98-W108 CarbonylContact C-O 3.54Å; T98-W108 WeakPolarHBondContact CA-O 3.29Å; T98-W108 WeakPolarHBondContact CG2-O 3.04Å; T98-E109 WeakPolarHBondContact CA-OE2 3.11Å; T98-E109 WeakPolarHBondContact CB-OE2 3.36Å; T98-E109 VanDerWaalsContact OG1-CD 3.28Å; T98-E109 PolarHBondContact OG1-OE1 2.9Å; T98-E109 PolarHBondContact OG1-OE2 2.88Å; T98-L282 PolarHBondContact OG1-N 2.78Å; T98-L282 VanDerWaalsContact OG1-N 3.16Å; T98-T283 WeakPolarHBondContact CB-OG1 3.23Å; T98-T283 PolarHBondContact N-OG1 2.89Å; T98-T283 PolarHBondContact OG1-N 3.33Å; T98-T283 PolarHBondContact OG1-OG1 2.8Å
99	A	98.3	Very high	97.4	Very high	22 Å²	22	45 Å²	45	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.6	173.9	0	0	0	0	0	110.3	W108 E110	A99-W108 HydrophobicContact CB-CD2 4.06Å; A99-W108 VanDerWaalsContact CB-CE2 3.44Å; A99-W108 HydrophobicContact CB-CH2 3.95Å; A99-W108 HydrophobicContact CB-CZ2 3.39Å; A99-W108 HydrophobicContact CB-CZ3 4.5Å; A99-W108 PolarHBondContact N-O 2.89Å; A99-W108 PolarHBondContact O-N 2.75Å; A99-E110 HydrophobicContact CB-CG 4.43Å
100	E	97.6	Very high	97.3	Very high	114 Å²	114	41.4 Å²	41.4	53%	0.533	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.7	-176.1	67.7	178	-167.5	0	0	112.5	Y106 L107	E100-Y106 VanDerWaalsContact CA-O 3.32Å; E100-Y106 WeakPolarHBondContact CA-O 3.28Å; E100-L107 HydrophobicContact CB-CD1 3.82Å
101	R	97.3	Very high	97.2	Very high	84 Å²	84	38.2 Å²	38.2	32%	0.317	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	77.9	158.9	-62.7	-172.8	-168	177.5	5.1	106.9	G103 E104 G105 Y106 W108 V464 L465	R101-G103 VanDerWaalsContact C-N 3.26Å; R101-G103 PolarHBondContact O-N 3.31Å; R101-E104 HydrophobicContact CB-CB 4.26Å; R101-E104 VanDerWaalsContact CD-OE1 3.31Å; R101-E104 WeakPolarHBondContact CD-OE1 3.24Å; R101-E104 IonicContact NH1-OE1 3.47Å; R101-E104 CarbonylContact O-C 3.52Å; R101-E104 PolarHBondContact O-N 2.92Å; R101-G105 PolarHBondContact O-N 3.3Å; R101-G105 VanDerWaalsContact O-N 3.08Å; R101-Y106 PolarHBondContact N-O 2.89Å; R101-Y106 PolarHBondContact O-N 3.49Å; R101-W108 HydrophobicContact CG-CH2 4.01Å; R101-W108 HydrophobicContact CG-CZ3 4.02Å; R101-V464 PolarHBondContact NH2-O 3.15Å; R101-V464 VanDerWaalsContact NH2-O 3.09Å; R101-L465 PolarHBondContact NH2-O 3.18Å; R101-L465 VanDerWaalsContact NH2-O 3.14Å
102	A	90.1	Very high	97.1	Very high	71 Å²	71	36.1 Å²	36.1	59%	0.587	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-56	-39	-171	0	0	0	0	0	113	E104 G105	A102-E104 PolarHBondContact O-N 2.89Å; A102-G105 PolarHBondContact O-N 3.08Å; A102-G105 VanDerWaalsContact O-N 3.15Å
103	G	93.8	Very high	96.9	Very high	90 Å²	90	35.7 Å²	35.7	93%	0.928	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63.9	-18.2	176.9	0	0	0	0	0	114.8	R101	R101-G103 VanDerWaalsContact C-N 3.26Å; R101-G103 PolarHBondContact O-N 3.31Å
104	E	96.7	Very high	96.9	Very high	97 Å²	97	36.7 Å²	36.7	45%	0.453	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-110.7	-0.7	177.9	-64.1	178	-112.7	0	0	112.5	R101 A102 Y106 P416	R101-E104 HydrophobicContact CB-CB 4.26Å; R101-E104 VanDerWaalsContact CD-OE1 3.31Å; R101-E104 WeakPolarHBondContact CD-OE1 3.24Å; R101-E104 IonicContact NH1-OE1 3.47Å; R101-E104 CarbonylContact O-C 3.52Å; R101-E104 PolarHBondContact O-N 2.92Å; A102-E104 PolarHBondContact O-N 2.89Å; E104-Y106 HydrophobicContact CB-CD2 3.68Å; E104-Y106 HydrophobicContact CB-CE2 4.02Å; E104-P416 WeakPolarHBondContact O-CD 3.47Å; E104-P416 VanDerWaalsContact O-CG 3.32Å; E104-P416 WeakPolarHBondContact O-CG 3.4Å
105	G	97.7	Very high	96.9	Very high	35 Å²	35	36.7 Å²	36.7	36%	0.361	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	24.2	179.7	0	0	0	0	0	115.3	R101 A102 A415	R101-G105 PolarHBondContact O-N 3.3Å; R101-G105 VanDerWaalsContact O-N 3.08Å; A102-G105 PolarHBondContact O-N 3.08Å; A102-G105 VanDerWaalsContact O-N 3.15Å; G105-A415 CarbonylContact O-C 3.56Å; G105-A415 VanDerWaalsContact O-C 3.32Å; G105-A415 WeakPolarHBondContact O-CA 3.27Å
106	Y	98.6	Very high	96.8	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.9	177.2	-69.6	-72.9	0	0	0	113.3	E100 R101 E104 S370 R414 A415 P416 R419 L421 L463 L465	E100-Y106 VanDerWaalsContact CA-O 3.32Å; E100-Y106 WeakPolarHBondContact CA-O 3.28Å; R101-Y106 PolarHBondContact N-O 2.89Å; R101-Y106 PolarHBondContact O-N 3.49Å; E104-Y106 HydrophobicContact CB-CD2 3.68Å; E104-Y106 HydrophobicContact CB-CE2 4.02Å; Y106-S370 WeakPolarHBondContact CE1-OG 3.27Å; Y106-S370 PolarHBondContact OH-OG 3.11Å; Y106-R414 WeakPolarHBondContact CA-O 3.26Å; Y106-A415 HydrophobicContact CD1-CB 4.09Å; Y106-A415 HydrophobicContact CE1-CB 3.88Å; Y106-P416 VanDerWaalsContact CE1-CD 3.4Å; Y106-P416 HydrophobicContact CE1-CG 4.23Å; Y106-P416 HydrophobicContact CE2-CG 4.06Å; Y106-P416 VanDerWaalsContact CZ-CD 3.46Å; Y106-R419 PolarHBondContact OH-NE 3.37Å; Y106-R419 PolarHBondContact OH-NH2 2.62Å; Y106-L421 HydrophobicContact CD1-CD1 4.4Å; Y106-L463 HydrophobicContact CE2-CD2 3.85Å; Y106-L465 HydrophobicContact CD1-CD1 3.54Å; Y106-L465 HydrophobicContact CD1-CD2 4.19Å; Y106-L465 HydrophobicContact CD2-CD2 3.76Å; Y106-L465 HydrophobicContact CE1-CD1 3.89Å; Y106-L465 HydrophobicContact CE2-CD2 4.17Å; Y106-L465 HydrophobicContact CG-CD1 3.94Å; Y106-L465 HydrophobicContact CG-CD2 3.77Å
107	L	98.6	Very high	96.7	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	123.9	175.4	-179.2	66.3	0	0	0	109.3	T98 E100 R279 R414 L421	T98-L107 HydrophobicContact CG2-CD1 3.38Å; T98-L107 HydrophobicContact CG2-CG 4.17Å; E100-L107 HydrophobicContact CB-CD1 3.82Å; L107-R279 WeakPolarHBondContact CD2-O 3.49Å; L107-R414 PolarHBondContact N-O 3.36Å; L107-R414 WeakPolarHBondContact O-CD 3.49Å; L107-L421 VanDerWaalsContact O-CD2 3.29Å; L107-L421 WeakPolarHBondContact O-CD2 3.23Å
108	W	98.5	Very high	96.6	Very high	11 Å²	11	41.2 Å²	41.2	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164	-176.9	71.2	96.9	0	0	0	112.6	T98 A99 R101 T368 L421 L423 L465	T98-W108 CarbonylContact C-O 3.54Å; T98-W108 WeakPolarHBondContact CA-O 3.29Å; T98-W108 WeakPolarHBondContact CG2-O 3.04Å; A99-W108 HydrophobicContact CB-CD2 4.06Å; A99-W108 VanDerWaalsContact CB-CE2 3.44Å; A99-W108 HydrophobicContact CB-CH2 3.95Å; A99-W108 HydrophobicContact CB-CZ2 3.39Å; A99-W108 HydrophobicContact CB-CZ3 4.5Å; A99-W108 PolarHBondContact N-O 2.89Å; A99-W108 PolarHBondContact O-N 2.75Å; R101-W108 HydrophobicContact CG-CH2 4.01Å; R101-W108 HydrophobicContact CG-CZ3 4.02Å; W108-T368 HydrophobicContact CB-CG2 3.7Å; W108-T368 VanDerWaalsContact CD1-OG1 3.27Å; W108-T368 HydrophobicContact CD2-CG2 4.17Å; W108-T368 HydrophobicContact CG-CG2 3.6Å; W108-L421 HydrophobicContact CB-CD2 4Å; W108-L423 HydrophobicContact CB-CD1 4.22Å; W108-L465 HydrophobicContact CD2-CB 4.41Å; W108-L465 HydrophobicContact CE3-CB 4.34Å; W108-L465 HydrophobicContact CH2-CB 4.37Å; W108-L465 HydrophobicContact CZ2-CB 4.39Å; W108-L465 WeakPolarHBondContact CZ2-O 3.47Å; W108-L465 HydrophobicContact CZ3-CB 4.33Å; W108-L465 HydrophobicContact CZ3-CD2 4.5Å
109	E	98.4	Very high	96.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135	177.7	-55.7	-65.4	169	0	0	109.6	T98 P112 G281 L282 L423	T98-E109 WeakPolarHBondContact CA-OE2 3.11Å; T98-E109 WeakPolarHBondContact CB-OE2 3.36Å; T98-E109 VanDerWaalsContact OG1-CD 3.28Å; T98-E109 PolarHBondContact OG1-OE1 2.9Å; T98-E109 PolarHBondContact OG1-OE2 2.88Å; E109-P112 WeakPolarHBondContact CB-O 3.33Å; E109-G281 WeakPolarHBondContact OE1-CA 3.37Å; E109-L282 PolarHBondContact OE1-N 3.35Å; E109-L423 HydrophobicContact CB-CD2 4.12Å; E109-L423 WeakPolarHBondContact O-CD2 3.48Å
110	E	97.3	Very high	96.4	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	26%	0.263	C	S	.	.	S	Bend	trans	-103	-4.3	176.8	-59.2	-173.1	154	0	0	112.9	T97 A99 R468 W470	T97-E110 HydrophobicContact CG2-CB 4.3Å; T97-E110 WeakPolarHBondContact CG2-OE2 3.35Å; T97-E110 PolarHBondContact O-N 2.99Å; A99-E110 HydrophobicContact CB-CG 4.43Å; E110-R468 HydrophobicContact CB-CB 3.97Å; E110-R468 HydrophobicContact CB-CG 4.12Å; E110-R468 HydrophobicContact CG-CB 4.37Å; E110-R468 IonicContact OE1-NH2 2.76Å; E110-R468 IonicContact OE2-CZ 2.88Å; E110-R468 IonicContact OE2-NE 3.75Å; E110-R468 PolarHBondContact OE2-NE 2.72Å; E110-R468 IonicContact OE2-NH2 3.14Å; E110-R468 PolarHBondContact OE2-NH2 3.39Å; E110-W470 PolarHBondContact O-NE1 3.16Å
111	G	95.5	Very high	96.4	Very high	12 Å²	12	38 Å²	38	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	-124.5	-121.4	175.6	0	0	0	0	0	111.1	Y425	G111-Y425 PolarHBondContact O-OH 3.4Å
112	P	95.8	Very high	96.5	Very high	41 Å²	41	34 Å²	34	27%	0.266	22%	0.223	S	C	.	.			trans	-63.9	141.3	170.7	29	-32.9	0	0	0	110.2	N95 I96 E109 L282	N95-P112 WeakPolarHBondContact O-CD 3.47Å; I96-P112 HydrophobicContact CG1-CG 3.74Å; E109-P112 WeakPolarHBondContact CB-O 3.33Å; P112-L282 HydrophobicContact CB-CD1 4.14Å; P112-L282 HydrophobicContact CG-CD1 4.09Å; P112-L282 VanDerWaalsContact O-CD1 3.31Å; P112-L282 WeakPolarHBondContact O-CD1 3.35Å
113	N	94.6	Very high	96.9	Very high	8 Å²	8	32 Å²	32	4%	0.043	20%	0.204	C	C	.	.			trans	-90.8	-40.8	-177.5	169.4	-96.4	0	0	0	113.8	I405 L423	N113-I405 HydrophobicContact CB-CD1 3.52Å; N113-L423 WeakPolarHBondContact ND2-CD2 3.5Å
114	S	96.8	Very high	97.1	Very high	24 Å²	24	27.8 Å²	27.8	17%	0.168	16%	0.159	C	C	.	.			trans	-156.7	173.8	-175.2	53.4	0	0	0	0	110	A276	S114-A276 WeakPolarHBondContact CA-O 3.45Å; S114-A276 WeakPolarHBondContact CB-O 3.32Å
115	F	97	Very high	97.2	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.026	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-132.1	151.8	175	58.2	-91.7	0	0	0	111.5	P117 V121 L134 V275 A276 F278 L282 L512	F115-P117 HydrophobicContact CE2-CB 4.4Å; F115-V121 HydrophobicContact CD2-CB 4.27Å; F115-V121 HydrophobicContact CD2-CG1 3.47Å; F115-V121 VanDerWaalsContact CD2-CG1 3.47Å; F115-V121 HydrophobicContact CE2-CB 4.44Å; F115-V121 HydrophobicContact CE2-CG1 3.52Å; F115-V121 HydrophobicContact CG-CG1 4.07Å; F115-V121 HydrophobicContact CZ-CG1 4.17Å; F115-L134 HydrophobicContact CE2-CD2 4.38Å; F115-L134 HydrophobicContact CZ-CD2 3.79Å; F115-V275 CarbonylContact O-C 3.49Å; F115-V275 WeakPolarHBondContact O-CA 3.4Å; F115-A276 WeakPolarHBondContact CD1-O 3.42Å; F115-A276 HydrophobicContact CD2-CB 4.11Å; F115-A276 HydrophobicContact CE1-CB 4.39Å; F115-A276 HydrophobicContact CE2-CB 3.57Å; F115-A276 HydrophobicContact CZ-CB 3.73Å; F115-A276 PolarHBondContact N-O 3.22Å; F115-A276 PolarHBondContact O-N 2.83Å; F115-F278 HydrophobicContact CE1-CD2 4.12Å; F115-F278 AromaticContact CE1-CE2 3.48Å; F115-F278 HydrophobicContact CE1-CE2 3.48Å; F115-F278 VanDerWaalsContact CE1-CE2 3.48Å; F115-F278 AromaticContact CE1-CZ 3.94Å; F115-F278 HydrophobicContact CE1-CZ 3.94Å; F115-F278 AromaticContact CZ-CE2 3.89Å; F115-F278 HydrophobicContact CZ-CE2 3.89Å; F115-F278 AromaticContact CZ-CZ 3.85Å; F115-F278 HydrophobicContact CZ-CZ 3.85Å; F115-L282 HydrophobicContact CD1-CD2 3.66Å; F115-L282 HydrophobicContact CE1-CD2 3.72Å; F115-L512 HydrophobicContact CB-CB 4.21Å; F115-L512 HydrophobicContact CB-CD1 4.5Å; F115-L512 HydrophobicContact CB-CD2 3.95Å; F115-L512 HydrophobicContact CB-CG 4.44Å; F115-L512 HydrophobicContact CD1-CD1 4.38Å; F115-L512 HydrophobicContact CD1-CD2 4.35Å; F115-L512 HydrophobicContact CG-CD2 4.2Å
116	Q	95.5	Very high	97.2	Very high	149 Å²	149	22.4 Å²	22.4	70%	0.696	13%	0.126	S	C	*	.			trans	-72.1	126.5	165.1	-173.5	174.6	15.4	0	0	108.4	S118	Q116-S118 PolarHBondContact O-N 2.85Å
117	P	96.6	Very high	97.1	Very high	10 Å²	10	23.4 Å²	23.4	7%	0.065	13%	0.132	C	C	.	.			trans	-77.3	68.2	-176.3	31.8	-36.1	0	0	0	111.7	F115 L122 F136 P270 T274 A276	F115-P117 HydrophobicContact CE2-CB 4.4Å; P117-L122 HydrophobicContact CB-CD1 4.18Å; P117-L122 HydrophobicContact CB-CD2 3.84Å; P117-L122 HydrophobicContact CB-CG 4.07Å; P117-L122 WeakPolarHBondContact O-CD1 3.26Å; P117-F136 HydrophobicContact CB-CE1 3.9Å; P117-F136 HydrophobicContact CG-CD1 4.31Å; P117-F136 HydrophobicContact CG-CE1 4.08Å; P117-P270 HydrophobicContact CB-CB 4.46Å; P117-P270 HydrophobicContact CB-CG 3.85Å; P117-P270 HydrophobicContact CG-CB 3.72Å; P117-P270 HydrophobicContact CG-CG 3.61Å; P117-T274 WeakPolarHBondContact CD-O 3.39Å; P117-T274 HydrophobicContact CG-CG2 3.91Å; P117-A276 HydrophobicContact CB-CB 4.09Å; P117-A276 HydrophobicContact CG-CB 4.36Å
118	S	95.6	Very high	97.1	Very high	26 Å²	26	23 Å²	23	18%	0.182	13%	0.13	C	C	.	.			trans	-72.3	156.4	170.4	67.5	0	0	0	0	110.9	Q116 P120 V121 L122 E517	Q116-S118 PolarHBondContact O-N 2.85Å; S118-P120 VanDerWaalsContact C-N 3.32Å; S118-V121 PolarHBondContact O-N 3.47Å; S118-L122 PolarHBondContact O-N 2.97Å; S118-E517 PolarHBondContact OG-OE1 2.93Å
119	D	96.2	Very high	97	Very high	60 Å²	60	24.8 Å²	24.8	32%	0.321	15%	0.152	S	C	.	.	H	α-helix	trans	-53.8	-42.9	-177.3	-62.9	8.5	0	0	0	112.5	V121 L122 T123 R263 L267	D119-V121 VanDerWaalsContact C-N 3.33Å; D119-V121 PolarHBondContact O-N 3.22Å; D119-L122 PolarHBondContact O-N 3.45Å; D119-T123 WeakPolarHBondContact O-CB 3.11Å; D119-T123 PolarHBondContact O-N 3.28Å; D119-T123 PolarHBondContact O-OG1 3.3Å; D119-R263 IonicContact OD1-CZ 3.69Å; D119-R263 IonicContact OD1-NE 2.98Å; D119-R263 IonicContact OD1-NH1 3.64Å; D119-R263 PolarHBondContact OD1-NH1 2.75Å; D119-R263 IonicContact OD1-NH2 3.78Å; D119-R263 PolarHBondContact OD1-NH2 3.46Å; D119-R263 IonicContact OD2-CZ 2.69Å; D119-R263 IonicContact OD2-NH1 2.62Å; D119-L267 HydrophobicContact CB-CD1 4.08Å
120	P	96.8	Very high	97	Very high	38 Å²	38	25.2 Å²	25.2	25%	0.247	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-40.1	175.4	-30	40.9	0	0	0	114.1	S118 M124 V516 E517 Y520	S118-P120 VanDerWaalsContact C-N 3.32Å; P120-M124 WeakPolarHBondContact O-CB 3.16Å; P120-M124 PolarHBondContact O-N 3.07Å; P120-V516 HydrophobicContact CB-CG1 4.46Å; P120-E517 HydrophobicContact CB-CG 3.79Å; P120-E517 HydrophobicContact CG-CG 3.71Å; P120-Y520 HydrophobicContact CB-CD2 4.02Å; P120-Y520 HydrophobicContact CB-CE2 4.02Å
121	V	98	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72	-40.5	178.1	-172.5	0	0	0	0	111.2	F115 S118 D119 M124 A125 L512 V516	F115-V121 HydrophobicContact CD2-CB 4.27Å; F115-V121 HydrophobicContact CD2-CG1 3.47Å; F115-V121 VanDerWaalsContact CD2-CG1 3.47Å; F115-V121 HydrophobicContact CE2-CB 4.44Å; F115-V121 HydrophobicContact CE2-CG1 3.52Å; F115-V121 HydrophobicContact CG-CG1 4.07Å; F115-V121 HydrophobicContact CZ-CG1 4.17Å; S118-V121 PolarHBondContact O-N 3.47Å; D119-V121 VanDerWaalsContact C-N 3.33Å; D119-V121 PolarHBondContact O-N 3.22Å; V121-M124 PolarHBondContact O-N 3.14Å; V121-A125 WeakPolarHBondContact O-CB 3.33Å; V121-A125 PolarHBondContact O-N 2.97Å; V121-L512 HydrophobicContact CG1-CD2 4.09Å; V121-V516 HydrophobicContact CG2-CB 4.07Å; V121-V516 HydrophobicContact CG2-CG1 4.44Å; V121-V516 HydrophobicContact CG2-CG2 4.16Å
122	L	98.3	Very high	97.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-41.6	177.4	-68.1	177.7	0	0	0	111.6	P117 S118 D119 A125 V126 L134 F136 R263 L267 P268 P270	P117-L122 HydrophobicContact CB-CD1 4.18Å; P117-L122 HydrophobicContact CB-CD2 3.84Å; P117-L122 HydrophobicContact CB-CG 4.07Å; P117-L122 WeakPolarHBondContact O-CD1 3.26Å; S118-L122 PolarHBondContact O-N 2.97Å; D119-L122 PolarHBondContact O-N 3.45Å; L122-A125 PolarHBondContact O-N 3.49Å; L122-V126 WeakPolarHBondContact O-CB 3.25Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.19Å; L122-V126 PolarHBondContact O-N 3.32Å; L122-L134 HydrophobicContact CD2-CD1 3.82Å; L122-L134 HydrophobicContact CD2-CD2 4.4Å; L122-F136 HydrophobicContact CD2-CE1 4.5Å; L122-F136 HydrophobicContact CD2-CZ 4.39Å; L122-R263 VanDerWaalsContact CD1-NH2 3.3Å; L122-L267 HydrophobicContact CB-CD1 4.4Å; L122-L267 HydrophobicContact CB-CD2 4.08Å; L122-P268 HydrophobicContact CD1-CG 4.34Å; L122-P268 HydrophobicContact CD2-CG 3.96Å; L122-P270 HydrophobicContact CD1-CG 3.96Å
123	T	97.8	Very high	97.3	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-48	173.5	-60.5	0	0	0	0	110.1	D119 A125 V126 D127 Y520	D119-T123 WeakPolarHBondContact O-CB 3.11Å; D119-T123 PolarHBondContact O-N 3.28Å; D119-T123 PolarHBondContact O-OG1 3.3Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-A125 PolarHBondContact O-N 2.98Å; T123-V126 PolarHBondContact O-N 2.87Å; T123-D127 WeakPolarHBondContact CG2-OD2 3.3Å; T123-D127 VanDerWaalsContact O-CB 3.24Å; T123-D127 WeakPolarHBondContact O-CB 3.28Å; T123-D127 VanDerWaalsContact O-CG 3.26Å; T123-D127 PolarHBondContact O-N 2.88Å; T123-Y520 WeakPolarHBondContact CG2-OH 2.88Å
124	M	98.5	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-43	176.3	-170.3	63.5	61.1	0	0	111.9	C69 Q72 A73 P120 V121 S128 L285 I289 V516 Y520	C69-M124 HydrophobicContact CB-CE 3.7Å; C69-M124 HydrophobicContact CB-SD 4.28Å; C69-M124 WeakPolarHBondContact O-CE 3.49Å; Q72-M124 HydrophobicContact CB-SD 4.02Å; Q72-M124 HydrophobicContact CG-SD 3.87Å; Q72-M124 PolarHBondContact NE2-SD 2.94Å; Q72-M124 VanDerWaalsContact NE2-SD 3.38Å; A73-M124 HydrophobicContact CB-CE 4.4Å; P120-M124 WeakPolarHBondContact O-CB 3.16Å; P120-M124 PolarHBondContact O-N 3.07Å; V121-M124 PolarHBondContact O-N 3.14Å; M124-S128 VanDerWaalsContact O-CB 3.26Å; M124-S128 WeakPolarHBondContact O-CB 3.17Å; M124-S128 PolarHBondContact O-N 3.43Å; M124-S128 PolarHBondContact O-OG 3.45Å; M124-L285 HydrophobicContact CG-CD1 4.37Å; M124-I289 HydrophobicContact CG-CD1 4.24Å; M124-I289 HydrophobicContact SD-CD1 4.33Å; M124-V516 HydrophobicContact CB-CG1 3.92Å; M124-V516 HydrophobicContact CE-CG1 4.37Å; M124-V516 HydrophobicContact CG-CG1 4.32Å; M124-Y520 HydrophobicContact CE-CE1 4.37Å; M124-Y520 HydrophobicContact CE-CE2 3.84Å
125	A	98.4	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-44.7	177.2	0	0	0	0	0	112.6	V121 L122 T123 S128 G129 L130 L134 F278	V121-A125 WeakPolarHBondContact O-CB 3.33Å; V121-A125 PolarHBondContact O-N 2.97Å; L122-A125 PolarHBondContact O-N 3.49Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-A125 PolarHBondContact O-N 2.98Å; A125-S128 CarbonylContact O-C 3.5Å; A125-S128 PolarHBondContact O-N 3.11Å; A125-G129 PolarHBondContact O-N 3.45Å; A125-L130 WeakPolarHBondContact O-CB 3.33Å; A125-L130 PolarHBondContact O-N 3.01Å; A125-L134 HydrophobicContact CB-CD1 4.47Å; A125-L134 HydrophobicContact CB-CD2 4.34Å; A125-F278 HydrophobicContact CB-CE1 3.98Å; A125-F278 HydrophobicContact CB-CZ 4.04Å
126	V	98	Very high	97.5	Very high	20 Å²	20	38.6 Å²	38.6	12%	0.121	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-47.1	177.4	169.4	0	0	0	0	110.8	L122 T123 S128 G129 K131 R266 L267	L122-V126 WeakPolarHBondContact O-CB 3.25Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.19Å; L122-V126 PolarHBondContact O-N 3.32Å; T123-V126 PolarHBondContact O-N 2.87Å; V126-S128 PolarHBondContact O-N 3.4Å; V126-G129 PolarHBondContact O-N 2.78Å; V126-K131 HydrophobicContact CG2-CB 4.08Å; V126-K131 HydrophobicContact CG2-CD 4.32Å; V126-K131 HydrophobicContact CG2-CG 4.19Å; V126-R266 HydrophobicContact CG1-CB 4.12Å; V126-L267 HydrophobicContact CB-CD2 4.32Å; V126-L267 HydrophobicContact CG2-CD2 3.94Å
127	D	97	Very high	97.4	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.144	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-18.9	176.4	-70.7	-12	0	0	0	111.7	T123 R266 R292	T123-D127 WeakPolarHBondContact CG2-OD2 3.3Å; T123-D127 VanDerWaalsContact O-CB 3.24Å; T123-D127 WeakPolarHBondContact O-CB 3.28Å; T123-D127 VanDerWaalsContact O-CG 3.26Å; T123-D127 PolarHBondContact O-N 2.88Å; D127-R266 IonicContact OD1-CZ 2.78Å; D127-R266 IonicContact OD1-NH1 3.27Å; D127-R266 PolarHBondContact OD1-NH1 3.23Å; D127-R266 IonicContact OD1-NH2 2.67Å; D127-R266 PolarHBondContact OD1-NH2 3.01Å; D127-R292 PolarHBondContact O-NE 3.4Å; D127-R292 PolarHBondContact O-NH1 3.32Å; D127-R292 PolarHBondContact O-NH2 3.47Å
128	S	98.1	Very high	97.1	Very high	6 Å²	6	35 Å²	35	4%	0.042	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.4	170.2	-65.9	0	0	0	0	113.9	Q72 M124 A125 V126 I289 R292	Q72-S128 PolarHBondContact NE2-OG 3.32Å; Q72-S128 PolarHBondContact OE1-OG 3.21Å; M124-S128 VanDerWaalsContact O-CB 3.26Å; M124-S128 WeakPolarHBondContact O-CB 3.17Å; M124-S128 PolarHBondContact O-N 3.43Å; M124-S128 PolarHBondContact O-OG 3.45Å; A125-S128 CarbonylContact O-C 3.5Å; A125-S128 PolarHBondContact O-N 3.11Å; V126-S128 PolarHBondContact O-N 3.4Å; S128-I289 VanDerWaalsContact OG-CG1 3.26Å; S128-I289 WeakPolarHBondContact OG-CG1 3.43Å; S128-R292 VanDerWaalsContact C-NH2 3.31Å; S128-R292 VanDerWaalsContact CA-NE 3.33Å; S128-R292 PolarHBondContact O-NE 3.17Å; S128-R292 PolarHBondContact O-NH2 3.46Å
129	G	97.8	Very high	96.9	Very high	48 Å²	48	35.6 Å²	35.6	50%	0.495	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	19	-178.9	0	0	0	0	0	114.3	A125 V126 R292	A125-G129 PolarHBondContact O-N 3.45Å; V126-G129 PolarHBondContact O-N 2.78Å; G129-R292 VanDerWaalsContact N-NH2 3.2Å
130	L	98.4	Very high	96.6	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.058	21%	0.211	C	C	.	.			trans	-102.7	16.6	-175.5	-64.8	176.1	0	0	0	113.8	A125 D132 D133 L134 F278 M284 L285 A288	A125-L130 WeakPolarHBondContact O-CB 3.33Å; A125-L130 PolarHBondContact O-N 3.01Å; L130-D132 VanDerWaalsContact C-N 3.3Å; L130-D132 PolarHBondContact O-N 3.4Å; L130-D133 HydrophobicContact CD2-CB 4.41Å; L130-D133 PolarHBondContact O-N 2.76Å; L130-L134 PolarHBondContact O-N 2.67Å; L130-F278 HydrophobicContact CB-CD1 4.05Å; L130-F278 HydrophobicContact CB-CE1 3.72Å; L130-F278 HydrophobicContact CD1-CD1 4.2Å; L130-F278 HydrophobicContact CD1-CE1 3.87Å; L130-F278 HydrophobicContact CD1-CZ 4.21Å; L130-F278 HydrophobicContact CG-CE1 4.45Å; L130-M284 HydrophobicContact CD1-CB 4.35Å; L130-M284 WeakPolarHBondContact CD1-O 3.42Å; L130-M284 HydrophobicContact CD2-CB 4.41Å; L130-M284 HydrophobicContact CD2-CE 4Å; L130-L285 HydrophobicContact CD1-CB 4.21Å; L130-L285 HydrophobicContact CD1-CD1 4Å; L130-A288 HydrophobicContact CD1-CB 3.73Å; L130-A288 HydrophobicContact CD2-CB 4.06Å; L130-A288 HydrophobicContact CG-CB 3.87Å
131	K	97.9	Very high	96.4	Very high	94 Å²	94	35.9 Å²	35.9	41%	0.409	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-54.6	-46.6	-177.3	-178	175.2	169.8	169.9	0	112.1	V126 D133 L134 R266	V126-K131 HydrophobicContact CG2-CB 4.08Å; V126-K131 HydrophobicContact CG2-CD 4.32Å; V126-K131 HydrophobicContact CG2-CG 4.19Å; K131-D133 VanDerWaalsContact C-N 3.28Å; K131-D133 PolarHBondContact O-N 3.27Å; K131-L134 PolarHBondContact O-N 3.05Å; K131-R266 WeakPolarHBondContact CE-O 3.49Å; K131-R266 PolarHBondContact NZ-O 3.33Å
132	D	97.8	Very high	96.3	Very high	134 Å²	134	37.3 Å²	37.3	72%	0.717	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-83.9	-5.4	-174.6	-56.2	-37.3	0	0	0	113.2	L130 R279	L130-D132 VanDerWaalsContact C-N 3.3Å; L130-D132 PolarHBondContact O-N 3.4Å; D132-R279 PolarHBondContact O-NH2 3.14Å
133	D	98.2	Very high	96.1	Very high	41 Å²	41	41 Å²	41	22%	0.219	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-98.7	-6.3	174.1	-74.6	-58.5	0	0	0	113.3	L130 K131 V135 F278 R279 M284	L130-D133 HydrophobicContact CD2-CB 4.41Å; L130-D133 PolarHBondContact O-N 2.76Å; K131-D133 VanDerWaalsContact C-N 3.28Å; K131-D133 PolarHBondContact O-N 3.27Å; D133-V135 PolarHBondContact O-N 3.18Å; D133-F278 HydrophobicContact CB-CD1 4.42Å; D133-F278 CarbonylContact O-C 3.52Å; D133-F278 WeakPolarHBondContact O-CA 3.34Å; D133-R279 HydrophobicContact CB-CB 4.44Å; D133-R279 PolarHBondContact O-N 3.17Å; D133-R279 IonicContact OD1-NE 3.64Å; D133-R279 PolarHBondContact OD1-NE 2.82Å; D133-R279 VanDerWaalsContact OD1-NE 3.1Å; D133-M284 HydrophobicContact CB-CE 3.84Å; D133-M284 HydrophobicContact CB-SD 4.36Å
134	L	98.1	Very high	96.1	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.2	173.8	-77.1	166.8	0	0	0	110.6	F115 L122 A125 L130 K131 F136 P268 F278	F115-L134 HydrophobicContact CE2-CD2 4.38Å; F115-L134 HydrophobicContact CZ-CD2 3.79Å; L122-L134 HydrophobicContact CD2-CD1 3.82Å; L122-L134 HydrophobicContact CD2-CD2 4.4Å; A125-L134 HydrophobicContact CB-CD1 4.47Å; A125-L134 HydrophobicContact CB-CD2 4.34Å; L130-L134 PolarHBondContact O-N 2.67Å; K131-L134 PolarHBondContact O-N 3.05Å; L134-F136 HydrophobicContact CB-CE2 4.08Å; L134-F136 HydrophobicContact CB-CZ 4.31Å; L134-F136 HydrophobicContact CD1-CZ 4.32Å; L134-P268 HydrophobicContact CD1-CG 3.84Å; L134-F278 HydrophobicContact CD2-CD1 4.02Å; L134-F278 HydrophobicContact CD2-CE1 3.48Å; L134-F278 VanDerWaalsContact CD2-CE1 3.48Å; L134-F278 HydrophobicContact CD2-CZ 4.01Å; L134-F278 HydrophobicContact CG-CD1 4.38Å; L134-F278 HydrophobicContact CG-CE1 4.02Å
135	V	97.7	Very high	96.1	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.152	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.3	174.2	-175.1	0	0	0	0	107.8	D133 A276 S277 F411 P412	D133-V135 PolarHBondContact O-N 3.18Å; V135-A276 CarbonylContact O-C 3.52Å; V135-A276 VanDerWaalsContact O-CA 3.24Å; V135-A276 WeakPolarHBondContact O-CA 3.28Å; V135-S277 PolarHBondContact N-O 2.78Å; V135-S277 PolarHBondContact O-N 2.87Å; V135-F411 HydrophobicContact CB-CD1 4.38Å; V135-F411 HydrophobicContact CG1-CD1 3.83Å; V135-P412 HydrophobicContact CG1-CG 4.18Å
136	F	96.9	Very high	96	Very high	72 Å²	72	41.2 Å²	41.2	32%	0.316	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.5	175.2	-62	-82.7	0	0	0	109.6	P117 L122 L134 P268 P270 T274 A276	P117-F136 HydrophobicContact CB-CE1 3.9Å; P117-F136 HydrophobicContact CG-CD1 4.31Å; P117-F136 HydrophobicContact CG-CE1 4.08Å; L122-F136 HydrophobicContact CD2-CE1 4.5Å; L122-F136 HydrophobicContact CD2-CZ 4.39Å; L134-F136 HydrophobicContact CB-CE2 4.08Å; L134-F136 HydrophobicContact CB-CZ 4.31Å; L134-F136 HydrophobicContact CD1-CZ 4.32Å; F136-P268 HydrophobicContact CE2-CB 4.26Å; F136-P268 HydrophobicContact CE2-CG 4.38Å; F136-P268 HydrophobicContact CZ-CB 3.99Å; F136-P268 HydrophobicContact CZ-CG 3.8Å; F136-P270 HydrophobicContact CE1-CB 4.31Å; F136-P270 HydrophobicContact CE1-CG 4.19Å; F136-T274 HydrophobicContact CD1-CG2 4.11Å; F136-A276 HydrophobicContact CD1-CB 3.98Å; F136-A276 HydrophobicContact CE1-CB 4.16Å
137	G	94.3	Very high	95.9	Very high	6 Å²	6	41.4 Å²	41.4	6%	0.062	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-72.9	173	172	0	0	0	0	0	112.1	P139 T274 V275 L410	G137-P139 WeakPolarHBondContact O-CD 3.49Å; G137-T274 PolarHBondContact N-OG1 3.25Å; G137-T274 PolarHBondContact O-OG1 3.06Å; G137-V275 PolarHBondContact N-O 2.88Å; G137-L410 VanDerWaalsContact CA-O 3.31Å; G137-L410 WeakPolarHBondContact CA-O 3.46Å
138	D	90.5	Very high	95.8	Very high	76 Å²	76	46.3 Å²	46.3	41%	0.406	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-67.7	120	173.2	173.8	16.5	0	0	0	110.3	N140 A141	D138-N140 PolarHBondContact O-N 2.9Å; D138-N140 PolarHBondContact OD1-N 3.38Å; D138-A141 HydrophobicContact CB-CB 4.15Å; D138-A141 VanDerWaalsContact O-CB 3.25Å; D138-A141 WeakPolarHBondContact O-CB 3.4Å; D138-A141 PolarHBondContact O-N 3.22Å; D138-A141 VanDerWaalsContact O-N 3.12Å; D138-A141 PolarHBondContact OD2-N 3.42Å
139	P	90	Very high	95.5	Very high	39 Å²	39	48.3 Å²	48.3	25%	0.253	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.8	177.4	27.5	-36.8	0	0	0	114.3	G137 K271	G137-P139 WeakPolarHBondContact O-CD 3.49Å; P139-K271 WeakPolarHBondContact CB-O 3.32Å; P139-K271 HydrophobicContact CG-CB 4.33Å
140	N	90.4	Very high	95.3	Very high	96 Å²	96	52.5 Å²	52.5	51%	0.513	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	2.3	176.7	-57.6	-68.4	0	0	0	112.9	D138 P142 K157	D138-N140 PolarHBondContact O-N 2.9Å; D138-N140 PolarHBondContact OD1-N 3.38Å; N140-P142 VanDerWaalsContact O-CD 3.24Å; N140-P142 WeakPolarHBondContact O-CD 3.26Å; N140-K157 PolarHBondContact OD1-NZ 2.82Å
141	A	93.2	Very high	95.2	Very high	8 Å²	8	53.5 Å²	53.5	7%	0.066	28%	0.277	C	S	.	.			trans	-56.1	115.1	180	0	0	0	0	0	110.5	D138 L410	D138-A141 HydrophobicContact CB-CB 4.15Å; D138-A141 VanDerWaalsContact O-CB 3.25Å; D138-A141 WeakPolarHBondContact O-CB 3.4Å; D138-A141 PolarHBondContact O-N 3.22Å; D138-A141 VanDerWaalsContact O-N 3.12Å; D138-A141 PolarHBondContact OD2-N 3.42Å; A141-L410 HydrophobicContact CB-CD2 4.07Å
142	P	94.2	Very high	95.1	Very high	31 Å²	31	50.5 Å²	50.5	20%	0.201	26%	0.263	C	S	.	.			trans	-63.6	145.4	-177.6	23.3	-34	0	0	0	111.5	N140 F144 I382 G388 F389	N140-P142 VanDerWaalsContact O-CD 3.24Å; N140-P142 WeakPolarHBondContact O-CD 3.26Å; P142-F144 HydrophobicContact CB-CE1 4.09Å; P142-F144 HydrophobicContact CB-CE2 3.93Å; P142-F144 HydrophobicContact CB-CZ 3.61Å; P142-F144 HydrophobicContact CG-CE1 4.34Å; P142-F144 HydrophobicContact CG-CE2 3.69Å; P142-F144 HydrophobicContact CG-CZ 3.42Å; P142-F144 VanDerWaalsContact CG-CZ 3.42Å; P142-I382 HydrophobicContact CG-CD1 3.91Å; P142-G388 CarbonylContact O-C 3.34Å; P142-G388 VanDerWaalsContact O-CA 3.28Å; P142-G388 WeakPolarHBondContact O-CA 3.4Å; P142-F389 PolarHBondContact O-N 3.26Å
143	R	95.8	Very high	95	Very high	77 Å²	77	47.2 Å²	47.2	29%	0.291	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.5	168.8	-69.8	167.4	-174.8	80.9	-1.8	107.1	P153 V154 Q273 F389	R143-P153 WeakPolarHBondContact O-CA 3.46Å; R143-V154 HydrophobicContact CB-CB 4.39Å; R143-V154 HydrophobicContact CB-CG2 4.48Å; R143-V154 WeakPolarHBondContact O-CB 3.48Å; R143-V154 WeakPolarHBondContact O-CG2 3.37Å; R143-V154 PolarHBondContact O-N 2.78Å; R143-Q273 PolarHBondContact NH2-O 3.06Å; R143-F389 HydrophobicContact CG-CB 3.7Å; R143-F389 HydrophobicContact CG-CD1 4.14Å; R143-F389 HydrophobicContact CG-CG 4.01Å
144	F	97	Very high	94.8	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.8	-177.8	-58.6	-79.9	0	0	0	111.8	P142 L151 R152 P153 I382 Q387 G390 Q391 L392 Y406	P142-F144 HydrophobicContact CB-CE1 4.09Å; P142-F144 HydrophobicContact CB-CE2 3.93Å; P142-F144 HydrophobicContact CB-CZ 3.61Å; P142-F144 HydrophobicContact CG-CE1 4.34Å; P142-F144 HydrophobicContact CG-CE2 3.69Å; P142-F144 HydrophobicContact CG-CZ 3.42Å; P142-F144 VanDerWaalsContact CG-CZ 3.42Å; F144-L151 HydrophobicContact CB-CB 4.15Å; F144-L151 HydrophobicContact CB-CD2 4.44Å; F144-L151 HydrophobicContact CD1-CB 4.36Å; F144-L151 HydrophobicContact CG-CB 4.35Å; F144-R152 CarbonylContact C-O 3.6Å; F144-R152 VanDerWaalsContact CA-O 3.3Å; F144-R152 WeakPolarHBondContact CA-O 3.47Å; F144-P153 HydrophobicContact CD1-CB 4.18Å; F144-P153 HydrophobicContact CE1-CB 4.08Å; F144-I382 HydrophobicContact CZ-CD1 4.21Å; F144-Q387 WeakPolarHBondContact CE2-O 3.47Å; F144-G390 PolarHBondContact N-O 2.8Å; F144-Q391 HydrophobicContact CB-CB 4.01Å; F144-Q391 CarbonylContact O-C 3.54Å; F144-Q391 VanDerWaalsContact O-CA 3.25Å; F144-Q391 WeakPolarHBondContact O-CA 3.32Å; F144-L392 PolarHBondContact O-N 2.8Å; F144-Y406 HydrophobicContact CD2-CE2 4.05Å; F144-Y406 HydrophobicContact CE2-CE2 4.1Å
145	V	97.7	Very high	94.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.2	165	172.4	0	0	0	0	107.9	W147 R152 V154 L166 R208 P212 L392 P394	V145-W147 PolarHBondContact O-N 3.01Å; V145-R152 PolarHBondContact N-O 3.29Å; V145-R152 PolarHBondContact O-N 3.1Å; V145-V154 HydrophobicContact CG2-CG2 3.68Å; V145-L166 HydrophobicContact CB-CD1 4.23Å; V145-L166 HydrophobicContact CB-CD2 3.94Å; V145-L166 HydrophobicContact CG1-CD2 4.09Å; V145-R208 WeakPolarHBondContact CG1-O 3.48Å; V145-P212 HydrophobicContact CG1-CG 4.26Å; V145-P212 HydrophobicContact CG2-CG 4.35Å; V145-L392 WeakPolarHBondContact CA-O 3.48Å; V145-P394 HydrophobicContact CG1-CG 3.77Å
146	L	97.4	Very high	93.8	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.2	168.2	176.3	68.1	0	0	0	109.2	K150 L151 L392 P394 Q397 V399 M453	L146-K150 WeakPolarHBondContact CA-O 3.3Å; L146-L151 HydrophobicContact CB-CD2 4.35Å; L146-L392 PolarHBondContact N-O 2.72Å; L146-P394 WeakPolarHBondContact O-CD 3.49Å; L146-P394 WeakPolarHBondContact O-CG 3.24Å; L146-Q397 HydrophobicContact CD2-CB 3.77Å; L146-Q397 HydrophobicContact CD2-CG 4.43Å; L146-Q397 HydrophobicContact CG-CB 4.18Å; L146-Q397 HydrophobicContact CG-CG 4.34Å; L146-Q397 WeakPolarHBondContact O-CG 3.45Å; L146-V399 HydrophobicContact CD2-CB 4.35Å; L146-V399 HydrophobicContact CD2-CG2 3.45Å; L146-V399 VanDerWaalsContact CD2-CG2 3.45Å; L146-M453 HydrophobicContact CD1-CB 3.8Å; L146-M453 HydrophobicContact CD1-SD 4.18Å; L146-M453 HydrophobicContact CD2-SD 3.73Å; L146-M453 HydrophobicContact CG-SD 4.43Å
147	W	96.3	Very high	93.2	Very high	24 Å²	24	51.6 Å²	51.6	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	125	172.6	-168.7	-98.2	0	0	0	110.3	V145 G149 K150 R152 L166 R208 P394 Q397	V145-W147 PolarHBondContact O-N 3.01Å; W147-G149 VanDerWaalsContact C-N 3.31Å; W147-G149 PolarHBondContact O-N 3.25Å; W147-K150 PolarHBondContact N-O 2.94Å; W147-K150 PolarHBondContact O-N 3Å; W147-R152 PolarHBondContact O-NE 3.31Å; W147-R152 VanDerWaalsContact O-NE 3.16Å; W147-L166 HydrophobicContact CB-CD2 3.89Å; W147-L166 HydrophobicContact CG-CD2 4.42Å; W147-R208 HydrophobicContact CD2-CG 4.07Å; W147-R208 HydrophobicContact CE3-CB 4.39Å; W147-R208 HydrophobicContact CE3-CG 3.83Å; W147-R208 HydrophobicContact CH2-CG 3.64Å; W147-R208 HydrophobicContact CZ2-CG 3.91Å; W147-R208 HydrophobicContact CZ3-CB 4.49Å; W147-R208 HydrophobicContact CZ3-CG 3.61Å; W147-P394 HydrophobicContact CE3-CG 4.18Å; W147-P394 HydrophobicContact CZ3-CG 4.41Å; W147-Q397 HydrophobicContact CE3-CG 4.37Å
148	E	93.8	Very high	92.6	Very high	130 Å²	130	56.8 Å²	56.8	61%	0.607	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	46	179.4	-66.3	167.9	-173.4	0	0	112.4	K150 R152	E148-K150 PolarHBondContact O-N 2.81Å; E148-R152 IonicContact OE2-NH2 2.93Å
149	G	91.6	Very high	92.4	Very high	48 Å²	48	55.5 Å²	55.5	50%	0.495	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	4.5	176.3	0	0	0	0	0	115.4	W147	W147-G149 VanDerWaalsContact C-N 3.31Å; W147-G149 PolarHBondContact O-N 3.25Å
150	K	94.5	Very high	92.3	Very high	135 Å²	135	56.2 Å²	56.2	59%	0.587	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	147	177.5	-65.7	-176.8	-179.6	179.5	0	111.9	L146 W147 E148 R152	L146-K150 WeakPolarHBondContact CA-O 3.3Å; W147-K150 PolarHBondContact N-O 2.94Å; W147-K150 PolarHBondContact O-N 3Å; E148-K150 PolarHBondContact O-N 2.81Å; K150-R152 HydrophobicContact CB-CG 4.34Å
151	L	96.9	Very high	92	Very high	32 Å²	32	55.9 Å²	55.9	17%	0.168	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.8	168.1	-64.7	171.6	0	0	0	108.6	F144 L146 Q391 M453 L454	F144-L151 HydrophobicContact CB-CB 4.15Å; F144-L151 HydrophobicContact CB-CD2 4.44Å; F144-L151 HydrophobicContact CD1-CB 4.36Å; F144-L151 HydrophobicContact CG-CB 4.35Å; L146-L151 HydrophobicContact CB-CD2 4.35Å; L151-Q391 HydrophobicContact CD2-CB 3.84Å; L151-Q391 HydrophobicContact CD2-CG 4.32Å; L151-M453 HydrophobicContact CD2-CB 4.25Å; L151-M453 HydrophobicContact CD2-CG 4.26Å; L151-M453 HydrophobicContact CG-CB 4.21Å; L151-L454 HydrophobicContact CD1-CB 4.32Å; L151-L454 HydrophobicContact CD1-CD1 4.08Å
152	R	95.7	Very high	91.6	Very high	31 Å²	31	59.6 Å²	59.6	12%	0.117	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132	-174	-56.9	180	178.1	-98.1	4.3	110.3	F144 V145 W147 E148 K150 D165 L166	F144-R152 CarbonylContact C-O 3.6Å; F144-R152 VanDerWaalsContact CA-O 3.3Å; F144-R152 WeakPolarHBondContact CA-O 3.47Å; V145-R152 PolarHBondContact N-O 3.29Å; V145-R152 PolarHBondContact O-N 3.1Å; W147-R152 PolarHBondContact O-NE 3.31Å; W147-R152 VanDerWaalsContact O-NE 3.16Å; E148-R152 IonicContact OE2-NH2 2.93Å; K150-R152 HydrophobicContact CB-CG 4.34Å; R152-D165 WeakPolarHBondContact CD-O 3.39Å; R152-D165 IonicContact CZ-OD2 2.76Å; R152-D165 PolarHBondContact NH1-O 3.21Å; R152-D165 IonicContact NH1-OD1 3.1Å; R152-D165 PolarHBondContact NH1-OD1 2.87Å; R152-D165 IonicContact NH1-OD2 3.24Å; R152-D165 PolarHBondContact NH1-OD2 3.44Å; R152-L166 HydrophobicContact CB-CD1 4.31Å; R152-L166 HydrophobicContact CB-CD2 3.74Å; R152-L166 HydrophobicContact CB-CG 3.73Å; R152-L166 HydrophobicContact CG-CD2 4.4Å
153	P	94.8	Very high	91.1	Very high	66 Å²	66	66.4 Å²	66.4	43%	0.429	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	137	-176.1	28	-34.1	0	0	0	111.2	R143 F144 L166	R143-P153 WeakPolarHBondContact O-CA 3.46Å; F144-P153 HydrophobicContact CD1-CB 4.18Å; F144-P153 HydrophobicContact CE1-CB 4.08Å; P153-L166 WeakPolarHBondContact O-CD1 3.41Å
154	V	93.9	Very high	90.7	Very high	48 Å²	48	63.5 Å²	63.5	29%	0.291	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-76.3	134.3	169.6	177.6	0	0	0	0	108.5	R143 V145 S156 L166 L209	R143-V154 HydrophobicContact CB-CB 4.39Å; R143-V154 HydrophobicContact CB-CG2 4.48Å; R143-V154 WeakPolarHBondContact O-CB 3.48Å; R143-V154 WeakPolarHBondContact O-CG2 3.37Å; R143-V154 PolarHBondContact O-N 2.78Å; V145-V154 HydrophobicContact CG2-CG2 3.68Å; V154-S156 PolarHBondContact O-N 3.43Å; V154-L166 HydrophobicContact CG2-CD1 4.12Å; V154-L209 HydrophobicContact CG1-CD2 4.12Å; V154-L209 HydrophobicContact CG2-CD2 4.14Å
155	P	89.4	Confident	90.4	Very high	32 Å²	32	67.5 Å²	67.5	21%	0.208	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-60.2	128.5	177	24.9	-34.3	0	0	0	110.9	D160 L161 F164	P155-D160 HydrophobicContact CB-CB 3.67Å; P155-L161 HydrophobicContact CB-CD2 4.09Å; P155-L161 HydrophobicContact CG-CD2 4.06Å; P155-F164 HydrophobicContact CB-CB 4.36Å; P155-F164 HydrophobicContact CB-CD1 4.39Å; P155-F164 HydrophobicContact CB-CG 4.26Å; P155-F164 HydrophobicContact CG-CB 4.49Å; P155-F164 HydrophobicContact CG-CD1 4.21Å; P155-F164 HydrophobicContact CG-CD2 4.08Å; P155-F164 HydrophobicContact CG-CE2 4.42Å; P155-F164 HydrophobicContact CG-CG 3.98Å
156	S	84.9	Confident	90.2	Very high	58 Å²	58	67.5 Å²	67.5	41%	0.406	38%	0.377	S	S	.	.			trans	-103.7	-26.3	-177.7	69.5	0	0	0	0	112.5	V154 D160	V154-S156 PolarHBondContact O-N 3.43Å; S156-D160 PolarHBondContact N-OD2 3.08Å; S156-D160 PolarHBondContact OG-OD2 3.44Å
157	K	85.3	Confident	90	Very high	113 Å²	113	68.1 Å²	68.1	49%	0.491	38%	0.38	S	S	.	.	S	Bend	trans	-129.9	153.3	-177.3	-64.4	165.1	-168.8	166.7	0	109.5	N140 G159 D160	N140-K157 PolarHBondContact OD1-NZ 2.82Å; K157-G159 PolarHBondContact O-N 3.39Å; K157-G159 VanDerWaalsContact O-N 3.11Å; K157-D160 PolarHBondContact N-OD2 3.47Å; K157-D160 WeakPolarHBondContact O-CB 3.24Å; K157-D160 PolarHBondContact O-N 3.03Å
158	P	82.1	Confident	89.9	Confident	114 Å²	114	68.9 Å²	68.9	74%	0.74	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-53.9	-32.4	176.6	-28	35.7	0	0	0	114	D160 L161	P158-D160 PolarHBondContact O-N 3.35Å; P158-L161 WeakPolarHBondContact O-CB 3.36Å; P158-L161 WeakPolarHBondContact O-CG 3.43Å; P158-L161 PolarHBondContact O-N 3.4Å
159	G	85.5	Confident	89.8	Confident	49 Å²	49	69.5 Å²	69.5	51%	0.505	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-65.9	-17	175.8	0	0	0	0	0	114.9	K157 P162 F163	K157-G159 PolarHBondContact O-N 3.39Å; K157-G159 VanDerWaalsContact O-N 3.11Å; G159-P162 WeakPolarHBondContact O-CD 3.48Å; G159-F163 WeakPolarHBondContact O-CD2 3.18Å
160	D	88.1	Confident	90	Very high	54 Å²	54	71.8 Å²	71.8	29%	0.289	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-81.3	-21.2	178.4	-54.4	-20.6	0	0	0	111.5	P155 S156 K157 P158 F163 F164	P155-D160 HydrophobicContact CB-CB 3.67Å; S156-D160 PolarHBondContact N-OD2 3.08Å; S156-D160 PolarHBondContact OG-OD2 3.44Å; K157-D160 PolarHBondContact N-OD2 3.47Å; K157-D160 WeakPolarHBondContact O-CB 3.24Å; K157-D160 PolarHBondContact O-N 3.03Å; P158-D160 PolarHBondContact O-N 3.35Å; D160-F163 PolarHBondContact O-N 3.03Å; D160-F163 VanDerWaalsContact O-N 3.1Å; D160-F164 PolarHBondContact O-N 3.49Å
161	L	85	Confident	90.1	Very high	90 Å²	90	65.7 Å²	65.7	47%	0.471	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.8	-173.4	-67.4	173.4	0	0	0	114.9	P155 P158 F163 F164 K172	P155-L161 HydrophobicContact CB-CD2 4.09Å; P155-L161 HydrophobicContact CG-CD2 4.06Å; P158-L161 WeakPolarHBondContact O-CB 3.36Å; P158-L161 WeakPolarHBondContact O-CG 3.43Å; P158-L161 PolarHBondContact O-N 3.4Å; L161-F163 VanDerWaalsContact C-N 3.32Å; L161-F163 PolarHBondContact O-N 2.92Å; L161-F164 HydrophobicContact CD2-CE1 4.19Å; L161-F164 WeakPolarHBondContact O-CD1 3.14Å; L161-F164 WeakPolarHBondContact O-CE1 3.13Å; L161-K172 PolarHBondContact O-NZ 3.25Å; L161-K172 VanDerWaalsContact O-NZ 3.09Å
162	P	83.1	Confident	90	Very high	85 Å²	85	66.7 Å²	66.7	55%	0.552	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-36.7	175.2	-22.6	35.8	0	0	0	112.3	G159 K172	G159-P162 WeakPolarHBondContact O-CD 3.48Å; P162-K172 PolarHBondContact O-NZ 3.38Å
163	F	84.3	Confident	90	Very high	174 Å²	174	70.6 Å²	70.6	76%	0.763	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-18.4	-165.1	-52.3	-69.7	0	0	0	114.8	G159 D160 L161 D165	G159-F163 WeakPolarHBondContact O-CD2 3.18Å; D160-F163 PolarHBondContact O-N 3.03Å; D160-F163 VanDerWaalsContact O-N 3.1Å; L161-F163 VanDerWaalsContact C-N 3.32Å; L161-F163 PolarHBondContact O-N 2.92Å; F163-D165 PolarHBondContact O-N 3.2Å
164	F	87.4	Confident	90.1	Very high	16 Å²	16	71.5 Å²	71.5	7%	0.07	40%	0.396	C	S	.	.			trans	-67.1	138	-178	85.1	-74.5	0	0	0	111.5	P155 D160 L161 L166 M167 K172	P155-F164 HydrophobicContact CB-CB 4.36Å; P155-F164 HydrophobicContact CB-CD1 4.39Å; P155-F164 HydrophobicContact CB-CG 4.26Å; P155-F164 HydrophobicContact CG-CB 4.49Å; P155-F164 HydrophobicContact CG-CD1 4.21Å; P155-F164 HydrophobicContact CG-CD2 4.08Å; P155-F164 HydrophobicContact CG-CE2 4.42Å; P155-F164 HydrophobicContact CG-CG 3.98Å; D160-F164 PolarHBondContact O-N 3.49Å; L161-F164 HydrophobicContact CD2-CE1 4.19Å; L161-F164 WeakPolarHBondContact O-CD1 3.14Å; L161-F164 WeakPolarHBondContact O-CE1 3.13Å; F164-L166 HydrophobicContact CD2-CB 3.77Å; F164-L166 HydrophobicContact CE2-CB 3.84Å; F164-M167 HydrophobicContact CE1-CE 4.41Å; F164-M167 HydrophobicContact CE2-CB 3.82Å; F164-M167 HydrophobicContact CE2-CE 4.27Å; F164-M167 HydrophobicContact CE2-CG 3.72Å; F164-M167 HydrophobicContact CZ-CB 3.67Å; F164-M167 HydrophobicContact CZ-CE 3.48Å; F164-M167 VanDerWaalsContact CZ-CE 3.48Å; F164-M167 HydrophobicContact CZ-CG 3.78Å; F164-M167 HydrophobicContact CZ-SD 4.4Å; F164-K172 HydrophobicContact CE1-CD 4.04Å; F164-K172 VanDerWaalsContact CE1-CE 3.41Å; F164-K172 HydrophobicContact CE1-CG 4.26Å; F164-K172 HydrophobicContact CZ-CD 4.39Å; F164-K172 HydrophobicContact CZ-CG 4.2Å; F164-K172 WeakPolarHBondContact O-CE 3.49Å; F164-K172 PolarHBondContact O-NZ 2.98Å
165	D	90.7	Very high	90.2	Very high	109 Å²	109	69.8 Å²	69.8	58%	0.583	39%	0.387	S	S	*	.	S	Bend	trans	-107.4	38	-170.6	-169.4	14.1	0	0	0	111.8	R152 F163	R152-D165 WeakPolarHBondContact CD-O 3.39Å; R152-D165 IonicContact CZ-OD2 2.76Å; R152-D165 PolarHBondContact NH1-O 3.21Å; R152-D165 IonicContact NH1-OD1 3.1Å; R152-D165 PolarHBondContact NH1-OD1 2.87Å; R152-D165 IonicContact NH1-OD2 3.24Å; R152-D165 PolarHBondContact NH1-OD2 3.44Å; F163-D165 PolarHBondContact O-N 3.2Å
166	L	93.2	Very high	90.4	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	39%	0.394	C	S	.	.	S	Bend	trans	-101	-24.3	170.7	-80.7	161.2	0	0	0	112.2	V145 W147 R152 P153 V154 F164 R208 L209	V145-L166 HydrophobicContact CB-CD1 4.23Å; V145-L166 HydrophobicContact CB-CD2 3.94Å; V145-L166 HydrophobicContact CG1-CD2 4.09Å; W147-L166 HydrophobicContact CB-CD2 3.89Å; W147-L166 HydrophobicContact CG-CD2 4.42Å; R152-L166 HydrophobicContact CB-CD1 4.31Å; R152-L166 HydrophobicContact CB-CD2 3.74Å; R152-L166 HydrophobicContact CB-CG 3.73Å; R152-L166 HydrophobicContact CG-CD2 4.4Å; P153-L166 WeakPolarHBondContact O-CD1 3.41Å; V154-L166 HydrophobicContact CG2-CD1 4.12Å; F164-L166 HydrophobicContact CD2-CB 3.77Å; F164-L166 HydrophobicContact CE2-CB 3.84Å; L166-R208 WeakPolarHBondContact O-CD 3.37Å; L166-R208 PolarHBondContact O-NH1 3.12Å; L166-L209 HydrophobicContact CD1-CD2 3.99Å
167	M	93.3	Very high	91	Very high	21 Å²	21	70.6 Å²	70.6	10%	0.103	39%	0.393	C	S	.	.	S	Bend	trans	-117.5	141.7	-179.9	-68.6	-155.6	-67	0	0	111.5	F164 K172 A175 E204 V205	F164-M167 HydrophobicContact CE1-CE 4.41Å; F164-M167 HydrophobicContact CE2-CB 3.82Å; F164-M167 HydrophobicContact CE2-CE 4.27Å; F164-M167 HydrophobicContact CE2-CG 3.72Å; F164-M167 HydrophobicContact CZ-CB 3.67Å; F164-M167 HydrophobicContact CZ-CE 3.48Å; F164-M167 VanDerWaalsContact CZ-CE 3.48Å; F164-M167 HydrophobicContact CZ-CG 3.78Å; F164-M167 HydrophobicContact CZ-SD 4.4Å; M167-K172 HydrophobicContact CB-CG 3.82Å; M167-K172 HydrophobicContact CE-CG 4.14Å; M167-K172 WeakPolarHBondContact O-CE 3.33Å; M167-A175 HydrophobicContact CE-CB 4.18Å; M167-E204 WeakPolarHBondContact CA-OE2 3.07Å; M167-E204 HydrophobicContact CG-CB 4.39Å; M167-E204 HydrophobicContact SD-CB 4.32Å; M167-V205 HydrophobicContact CE-CG2 3.91Å; M167-V205 HydrophobicContact SD-CB 4.4Å; M167-V205 HydrophobicContact SD-CG2 3.35Å; M167-V205 WeakPolarHBondContact SD-CG2 3.11Å
168	S	93.7	Very high	91.6	Very high	39 Å²	39	65.2 Å²	65.2	27%	0.273	37%	0.37	S	S	.	.			trans	-68.4	161	170.4	75.3	0	0	0	0	110.4	P170 G171 K172 E204	S168-P170 WeakPolarHBondContact OG-CD 3.47Å; S168-G171 WeakPolarHBondContact O-CA 3.13Å; S168-G171 PolarHBondContact O-N 3.08Å; S168-G171 VanDerWaalsContact O-N 3.1Å; S168-G171 PolarHBondContact OG-N 3.29Å; S168-K172 WeakPolarHBondContact O-CG 3.4Å; S168-K172 PolarHBondContact O-N 2.86Å; S168-E204 VanDerWaalsContact CB-OE1 3.29Å; S168-E204 WeakPolarHBondContact CB-OE1 3.43Å; S168-E204 PolarHBondContact N-OE2 2.8Å; S168-E204 PolarHBondContact OG-OE1 3.12Å; S168-E204 PolarHBondContact OG-OE2 2.82Å; S168-E204 VanDerWaalsContact OG-OE2 3.13Å
169	I	93.5	Very high	92.2	Very high	144 Å²	144	60.4 Å²	60.4	74%	0.738	34%	0.339	S	S	*	.	H	α-helix	trans	-57	-47.8	175.2	-62.9	171.2	0	0	0	111.3	G171 K172 L173	I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.24Å; I169-K172 PolarHBondContact O-N 2.79Å; I169-L173 PolarHBondContact O-N 3.24Å
170	P	95.8	Very high	92.6	Very high	95 Å²	95	63.3 Å²	63.3	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-57.8	-39.3	172.5	-26	35.1	0	0	0	113.5	S168 L173 R174	S168-P170 WeakPolarHBondContact OG-CD 3.47Å; P170-L173 PolarHBondContact O-N 2.88Å; P170-R174 WeakPolarHBondContact O-CB 3.33Å; P170-R174 PolarHBondContact O-N 3.25Å
171	G	95.5	Very high	92.9	Very high	7 Å²	7	62.3 Å²	62.3	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-46	176.1	0	0	0	0	0	112.8	S168 I169 L173 R174 A175	S168-G171 WeakPolarHBondContact O-CA 3.13Å; S168-G171 PolarHBondContact O-N 3.08Å; S168-G171 VanDerWaalsContact O-N 3.1Å; S168-G171 PolarHBondContact OG-N 3.29Å; I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.24Å; G171-L173 PolarHBondContact O-N 3.41Å; G171-R174 PolarHBondContact O-N 3.02Å; G171-A175 WeakPolarHBondContact O-CB 3.24Å; G171-A175 PolarHBondContact O-N 3Å
172	K	94.7	Very high	93.4	Very high	54 Å²	54	62.6 Å²	62.6	24%	0.235	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-44.7	174.9	-67.9	-179.7	-171.2	-163.4	0	111.5	L161 P162 F164 M167 S168 I169 A175 G176	L161-K172 PolarHBondContact O-NZ 3.25Å; L161-K172 VanDerWaalsContact O-NZ 3.09Å; P162-K172 PolarHBondContact O-NZ 3.38Å; F164-K172 HydrophobicContact CE1-CD 4.04Å; F164-K172 VanDerWaalsContact CE1-CE 3.41Å; F164-K172 HydrophobicContact CE1-CG 4.26Å; F164-K172 HydrophobicContact CZ-CD 4.39Å; F164-K172 HydrophobicContact CZ-CG 4.2Å; F164-K172 WeakPolarHBondContact O-CE 3.49Å; F164-K172 PolarHBondContact O-NZ 2.98Å; M167-K172 HydrophobicContact CB-CG 3.82Å; M167-K172 HydrophobicContact CE-CG 4.14Å; M167-K172 WeakPolarHBondContact O-CE 3.33Å; S168-K172 WeakPolarHBondContact O-CG 3.4Å; S168-K172 PolarHBondContact O-N 2.86Å; I169-K172 PolarHBondContact O-N 2.79Å; K172-A175 PolarHBondContact O-N 3.22Å; K172-G176 PolarHBondContact O-N 3.3Å
173	L	95.4	Very high	93.9	Very high	112 Å²	112	61 Å²	61	59%	0.586	33%	0.334	S	S	*	.	H	α-helix	trans	-63.9	-46.5	177.4	-178.5	63	0	0	0	111.4	I169 P170 G171 A175 G176 L177	I169-L173 PolarHBondContact O-N 3.24Å; P170-L173 PolarHBondContact O-N 2.88Å; G171-L173 PolarHBondContact O-N 3.41Å; L173-A175 VanDerWaalsContact C-N 3.3Å; L173-A175 PolarHBondContact O-N 2.95Å; L173-G176 PolarHBondContact O-N 2.96Å; L173-L177 HydrophobicContact CD1-CD1 4.17Å; L173-L177 HydrophobicContact CD1-CG 4.15Å; L173-L177 HydrophobicContact CG-CD1 3.99Å; L173-L177 HydrophobicContact CG-CG 4.38Å; L173-L177 WeakPolarHBondContact O-CB 3.48Å; L173-L177 WeakPolarHBondContact O-CG 3.5Å; L173-L177 PolarHBondContact O-N 3.3Å
174	R	97.1	Very high	94.3	Very high	85 Å²	85	55.4 Å²	55.4	32%	0.321	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-42.1	177.4	174.2	59.5	-171	96	-1.6	111.9	P170 G171 G178 R199	P170-R174 WeakPolarHBondContact O-CB 3.33Å; P170-R174 PolarHBondContact O-N 3.25Å; G171-R174 PolarHBondContact O-N 3.02Å; R174-G178 PolarHBondContact O-N 3.11Å; R174-R199 PolarHBondContact NH2-O 3.14Å
175	A	95.9	Very high	94.5	Very high	12 Å²	12	59.5 Å²	59.5	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-45.6	177.1	0	0	0	0	0	111.9	M167 G171 K172 L173 G178 A179 L201 V205	M167-A175 HydrophobicContact CE-CB 4.18Å; G171-A175 WeakPolarHBondContact O-CB 3.24Å; G171-A175 PolarHBondContact O-N 3Å; K172-A175 PolarHBondContact O-N 3.22Å; L173-A175 VanDerWaalsContact C-N 3.3Å; L173-A175 PolarHBondContact O-N 2.95Å; A175-G178 PolarHBondContact O-N 3.33Å; A175-A179 VanDerWaalsContact O-CB 3.31Å; A175-A179 WeakPolarHBondContact O-CB 3.25Å; A175-A179 PolarHBondContact O-N 2.91Å; A175-L201 VanDerWaalsContact CA-O 3.25Å; A175-L201 WeakPolarHBondContact CA-O 3.44Å; A175-L201 WeakPolarHBondContact CB-O 3.47Å; A175-V205 HydrophobicContact CB-CG2 3.63Å
176	G	95	Very high	94.6	Very high	34 Å²	34	57.5 Å²	57.5	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-50	177.9	0	0	0	0	0	112.9	K172 L173 G178 A179 L180	K172-G176 PolarHBondContact O-N 3.3Å; L173-G176 PolarHBondContact O-N 2.96Å; G176-G178 VanDerWaalsContact C-N 3.3Å; G176-G178 PolarHBondContact O-N 2.81Å; G176-A179 PolarHBondContact O-N 2.63Å; G176-L180 WeakPolarHBondContact O-CG 3.08Å; G176-L180 PolarHBondContact O-N 3.19Å; G176-L180 VanDerWaalsContact O-N 3.09Å
177	L	96.8	Very high	94.6	Very high	73 Å²	73	60.5 Å²	60.5	38%	0.382	36%	0.36	S	S	.	.	H	α-helix	trans	-57.8	-44	176.7	-73.3	176.5	0	0	0	111.7	L173 L180 G181 V182	L173-L177 HydrophobicContact CD1-CD1 4.17Å; L173-L177 HydrophobicContact CD1-CG 4.15Å; L173-L177 HydrophobicContact CG-CD1 3.99Å; L173-L177 HydrophobicContact CG-CG 4.38Å; L173-L177 WeakPolarHBondContact O-CB 3.48Å; L173-L177 WeakPolarHBondContact O-CG 3.5Å; L173-L177 PolarHBondContact O-N 3.3Å; L177-L180 PolarHBondContact O-N 3.44Å; L177-G181 PolarHBondContact O-N 3.35Å; L177-V182 HydrophobicContact CB-CB 4.16Å; L177-V182 WeakPolarHBondContact O-CB 3.39Å; L177-V182 PolarHBondContact O-N 3.42Å
178	G	97.1	Very high	94.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-40.5	179.4	0	0	0	0	0	113.8	R174 A175 G176 L180 G181 V182 N200	R174-G178 PolarHBondContact O-N 3.11Å; A175-G178 PolarHBondContact O-N 3.33Å; G176-G178 VanDerWaalsContact C-N 3.3Å; G176-G178 PolarHBondContact O-N 2.81Å; G178-L180 PolarHBondContact O-N 3.16Å; G178-G181 WeakPolarHBondContact O-CA 3.31Å; G178-G181 PolarHBondContact O-N 2.89Å; G178-V182 WeakPolarHBondContact CA-O 3.28Å; G178-N200 CarbonylContact C-O 3.32Å; G178-N200 WeakPolarHBondContact CA-O 3.43Å
179	A	94.6	Very high	94.7	Very high	13 Å²	13	68.4 Å²	68.4	11%	0.107	41%	0.409	C	S	.	.	H	α-helix	trans	-62.8	-30.5	174.8	0	0	0	0	0	112.9	A175 G176 G181 L201 S243 I245	A175-A179 VanDerWaalsContact O-CB 3.31Å; A175-A179 WeakPolarHBondContact O-CB 3.25Å; A175-A179 PolarHBondContact O-N 2.91Å; G176-A179 PolarHBondContact O-N 2.63Å; A179-G181 VanDerWaalsContact C-N 3.34Å; A179-L201 HydrophobicContact CB-CD2 3.87Å; A179-S243 WeakPolarHBondContact O-CB 3.45Å; A179-S243 PolarHBondContact O-OG 3.39Å; A179-I245 HydrophobicContact CB-CD1 3.84Å; A179-I245 HydrophobicContact CB-CG1 4.11Å; A179-I245 WeakPolarHBondContact O-CG1 3.11Å; A179-I245 PolarHBondContact O-N 2.91Å; A179-I245 VanDerWaalsContact O-N 3.12Å
180	L	95.1	Very high	94.9	Very high	110 Å²	110	63.9 Å²	63.9	58%	0.576	39%	0.385	S	S	*	.	H	α-helix	trans	-75.3	-20.5	172.8	-70.9	168.7	0	0	0	113	G176 L177 G178 S243 I245	G176-L180 WeakPolarHBondContact O-CG 3.08Å; G176-L180 PolarHBondContact O-N 3.19Å; G176-L180 VanDerWaalsContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 3.44Å; G178-L180 PolarHBondContact O-N 3.16Å; L180-S243 PolarHBondContact O-OG 3.07Å; L180-I245 HydrophobicContact CD2-CD1 3.6Å; L180-I245 HydrophobicContact CD2-CG2 4.45Å; L180-I245 HydrophobicContact CG-CD1 3.89Å
181	G	94	Very high	95	Very high	33 Å²	33	59.8 Å²	59.8	34%	0.34	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.6	1.2	178	0	0	0	0	0	115.2	L177 G178 A179 R183	L177-G181 PolarHBondContact O-N 3.35Å; G178-G181 WeakPolarHBondContact O-CA 3.31Å; G178-G181 PolarHBondContact O-N 2.89Å; A179-G181 VanDerWaalsContact C-N 3.34Å; G181-R183 VanDerWaalsContact C-N 3.32Å; G181-R183 PolarHBondContact O-N 3.45Å
182	V	95.2	Very high	95.1	Very high	96 Å²	96	59.6 Å²	59.6	58%	0.582	36%	0.355	S	S	*	.			trans	-79.9	83.4	173.3	-173.3	0	0	0	0	108.9	L177 G178	L177-V182 HydrophobicContact CB-CB 4.16Å; L177-V182 WeakPolarHBondContact O-CB 3.39Å; L177-V182 PolarHBondContact O-N 3.42Å; G178-V182 WeakPolarHBondContact CA-O 3.28Å
183	R	92.8	Very high	95.3	Very high	52 Å²	52	57 Å²	57	20%	0.196	34%	0.344	C	S	.	.	S	Bend	trans	-155	169.2	-174.7	55.4	168	-178.4	70.9	0.8	110.7	G181 R199 N200 E238 G242	G181-R183 VanDerWaalsContact C-N 3.32Å; G181-R183 PolarHBondContact O-N 3.45Å; R183-R199 WeakPolarHBondContact CB-O 3.46Å; R183-N200 WeakPolarHBondContact CD-OD1 3.38Å; R183-N200 PolarHBondContact NE-OD1 3.43Å; R183-E238 IonicContact CZ-OE1 2.64Å; R183-E238 IonicContact NE-OE1 2.63Å; R183-E238 PolarHBondContact NE-OE1 2.96Å; R183-E238 VanDerWaalsContact NE-OE1 3.17Å; R183-E238 IonicContact NH1-OE1 3.49Å; R183-E238 PolarHBondContact NH1-OE1 3.21Å; R183-E238 IonicContact NH2-OE1 3.93Å; R183-E238 PolarHBondContact NH2-OE1 2.9Å; R183-G242 PolarHBondContact NH2-O 2.97Å
184	A	93.3	Very high	95.4	Very high	56 Å²	56	53.9 Å²	53.9	46%	0.463	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-64.1	149.4	169.4	0	0	0	0	0	111.4	R199	A184-R199 HydrophobicContact CB-CG 4.11Å; A184-R199 PolarHBondContact O-NH1 2.63Å
185	P	92.7	Very high	95.5	Very high	103 Å²	103	52.6 Å²	52.6	67%	0.669	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-64	155.6	174.2	28.5	-35.2	0	0	0	111	R199	P185-R199 WeakPolarHBondContact O-CD 3.45Å
186	P	92.9	Very high	95.6	Very high	67 Å²	67	52.1 Å²	52.1	44%	0.435	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-58.7	144	172.3	-20.5	33.6	0	0	0	111.1	G188	P186-G188 PolarHBondContact O-N 2.75Å; P186-G188 VanDerWaalsContact O-N 3.12Å
187	P	93.2	Very high	95.7	Very high	64 Å²	64	50.8 Å²	50.8	42%	0.416	31%	0.306	S	S	.	.			trans	-77.9	6.9	-169.8	31.9	-37.2	0	0	0	115	R189 E191	P187-R189 HydrophobicContact CB-CG 4.06Å; P187-R189 HydrophobicContact CG-CG 3.85Å; P187-R189 PolarHBondContact O-N 3.4Å; P187-E191 VanDerWaalsContact CD-CD 3.41Å; P187-E191 VanDerWaalsContact CD-OE1 3.26Å; P187-E191 WeakPolarHBondContact CD-OE1 3.49Å; P187-E191 HydrophobicContact CG-CG 3.59Å
188	G	92.6	Very high	95.8	Very high	84 Å²	84	50.8 Å²	50.8	87%	0.866	30%	0.301	S	S	*	.	S	Bend	trans	70.6	4.3	-177.1	0	0	0	0	0	115.2	P186	P186-G188 PolarHBondContact O-N 2.75Å; P186-G188 VanDerWaalsContact O-N 3.12Å
189	R	95.5	Very high	95.8	Very high	142 Å²	142	52 Å²	52	54%	0.536	31%	0.306	S	S	.	.	S	Bend	trans	-121.8	166.1	172.8	61.3	171.9	178.4	78.8	-3.8	110.4	P187 E191 D195	P187-R189 HydrophobicContact CB-CG 4.06Å; P187-R189 HydrophobicContact CG-CG 3.85Å; P187-R189 PolarHBondContact O-N 3.4Å; R189-E191 PolarHBondContact O-N 2.94Å; R189-D195 IonicContact CZ-OD2 3.36Å; R189-D195 IonicContact NH1-OD2 3.31Å; R189-D195 PolarHBondContact NH1-OD2 3.09Å; R189-D195 IonicContact NH2-OD2 3.55Å; R189-D195 PolarHBondContact NH2-OD2 3.04Å
190	E	97.3	Very high	95.9	Very high	50 Å²	50	51.4 Å²	51.4	23%	0.234	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-61.3	136	168.6	-172.2	173.8	-149.1	0	0	110.3	S226 I479 G480	E190-S226 WeakPolarHBondContact OE1-CB 3.47Å; E190-S226 PolarHBondContact OE1-OG 3.12Å; E190-I479 HydrophobicContact CB-CG2 4.33Å; E190-I479 HydrophobicContact CG-CG2 4.38Å; E190-I479 WeakPolarHBondContact OE2-CG2 3.31Å; E190-G480 PolarHBondContact OE2-N 3.31Å
191	E	98	Very high	96	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.042	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-103.5	143.5	-178.9	-70.8	179.6	112.8	0	0	111.3	P187 R189 D195 F196 R199 M227	P187-E191 VanDerWaalsContact CD-CD 3.41Å; P187-E191 VanDerWaalsContact CD-OE1 3.26Å; P187-E191 WeakPolarHBondContact CD-OE1 3.49Å; P187-E191 HydrophobicContact CG-CG 3.59Å; R189-E191 PolarHBondContact O-N 2.94Å; E191-D195 HydrophobicContact CB-CB 4.06Å; E191-D195 HydrophobicContact CG-CB 4.24Å; E191-F196 HydrophobicContact CB-CB 4.23Å; E191-R199 IonicContact OE1-CZ 3.6Å; E191-R199 IonicContact OE1-NE 3.56Å; E191-R199 PolarHBondContact OE1-NE 3.05Å; E191-R199 IonicContact OE1-NH2 3.17Å; E191-R199 PolarHBondContact OE1-NH2 2.79Å; E191-R199 IonicContact OE2-CZ 3.38Å; E191-R199 IonicContact OE2-NE 2.84Å; E191-R199 IonicContact OE2-NH2 3.3Å; E191-R199 PolarHBondContact OE2-NH2 3.18Å; E191-M227 PolarHBondContact O-N 2.92Å
192	S	98.4	Very high	96.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-67.8	165.1	162.8	67.4	0	0	0	0	110.7	E194 D195 F196 S223 L225	S192-E194 PolarHBondContact O-N 2.95Å; S192-E194 PolarHBondContact OG-N 2.86Å; S192-D195 PolarHBondContact O-N 3.46Å; S192-D195 WeakPolarHBondContact OG-CB 3.43Å; S192-D195 PolarHBondContact OG-N 3.09Å; S192-F196 WeakPolarHBondContact O-CB 3.42Å; S192-F196 PolarHBondContact O-N 3.27Å; S192-S223 WeakPolarHBondContact CB-O 3.27Å; S192-S223 PolarHBondContact OG-O 3.19Å; S192-L225 CarbonylContact C-O 3.59Å; S192-L225 WeakPolarHBondContact CA-O 3.45Å
193	V	98.2	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-40.1	170.9	178.7	0	0	0	0	110.3	V197 I210 P222 L225 M227 F231	V193-V197 HydrophobicContact CG1-CG2 4.1Å; V193-V197 VanDerWaalsContact O-CB 3.28Å; V193-V197 WeakPolarHBondContact O-CB 3.36Å; V193-V197 WeakPolarHBondContact O-CG2 3.32Å; V193-V197 PolarHBondContact O-N 2.54Å; V193-I210 HydrophobicContact CG1-CG2 3.58Å; V193-P222 HydrophobicContact CB-CB 4.27Å; V193-P222 HydrophobicContact CG1-CB 4.47Å; V193-P222 PolarHBondContact N-O 3.43Å; V193-L225 HydrophobicContact CG2-CB 3.86Å; V193-L225 PolarHBondContact N-O 2.75Å; V193-M227 HydrophobicContact CB-SD 4.46Å; V193-M227 HydrophobicContact CG1-SD 4.29Å; V193-M227 HydrophobicContact CG2-SD 4.2Å; V193-F231 HydrophobicContact CG1-CD2 4.32Å; V193-F231 HydrophobicContact CG1-CE2 4.1Å; V193-F231 HydrophobicContact CG2-CD2 3.61Å; V193-F231 HydrophobicContact CG2-CE2 3.71Å
194	E	98.2	Very high	96.5	Very high	47 Å²	47	43.1 Å²	43.1	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-54	175.9	-179.1	163.6	-164.9	0	0	113	S192 F196 V197 R198 F206 P222 S223	S192-E194 PolarHBondContact O-N 2.95Å; S192-E194 PolarHBondContact OG-N 2.86Å; E194-F196 VanDerWaalsContact C-N 3.33Å; E194-F196 PolarHBondContact O-N 3.39Å; E194-V197 PolarHBondContact O-N 3.46Å; E194-R198 HydrophobicContact CG-CG 4.19Å; E194-R198 WeakPolarHBondContact O-CB 3.49Å; E194-R198 WeakPolarHBondContact O-CG 3.37Å; E194-R198 PolarHBondContact O-N 2.98Å; E194-R198 IonicContact OE1-CZ 2.98Å; E194-R198 IonicContact OE1-NE 3.31Å; E194-R198 PolarHBondContact OE1-NE 3.07Å; E194-R198 IonicContact OE1-NH2 2.73Å; E194-R198 PolarHBondContact OE1-NH2 3.4Å; E194-R198 VanDerWaalsContact OE1-NH2 3.14Å; E194-F206 HydrophobicContact CB-CD2 4.18Å; E194-F206 HydrophobicContact CB-CE1 4.29Å; E194-F206 HydrophobicContact CB-CE2 3.43Å; E194-F206 VanDerWaalsContact CB-CE2 3.43Å; E194-F206 HydrophobicContact CB-CZ 3.48Å; E194-F206 VanDerWaalsContact CB-CZ 3.48Å; E194-F206 VanDerWaalsContact CD-CE1 3.49Å; E194-F206 VanDerWaalsContact CD-CZ 3.42Å; E194-F206 HydrophobicContact CG-CD1 4.19Å; E194-F206 HydrophobicContact CG-CD2 4.19Å; E194-F206 HydrophobicContact CG-CE1 3.68Å; E194-F206 HydrophobicContact CG-CE2 3.69Å; E194-F206 HydrophobicContact CG-CG 4.4Å; E194-F206 HydrophobicContact CG-CZ 3.39Å; E194-F206 WeakPolarHBondContact OE1-CE1 3.37Å; E194-P222 PolarHBondContact N-O 3.29Å; E194-P222 VanDerWaalsContact N-O 3.08Å; E194-S223 WeakPolarHBondContact OE2-CB 3.37Å
195	D	98.2	Very high	96.6	Very high	58 Å²	58	41 Å²	41	31%	0.31	24%	0.236	S	C	.	.	H	α-helix	trans	-55.6	-51.3	-179.1	-77.9	-7.5	0	0	0	110.3	R189 E191 S192 V197 R199	R189-D195 IonicContact CZ-OD2 3.36Å; R189-D195 IonicContact NH1-OD2 3.31Å; R189-D195 PolarHBondContact NH1-OD2 3.09Å; R189-D195 IonicContact NH2-OD2 3.55Å; R189-D195 PolarHBondContact NH2-OD2 3.04Å; E191-D195 HydrophobicContact CB-CB 4.06Å; E191-D195 HydrophobicContact CG-CB 4.24Å; S192-D195 PolarHBondContact O-N 3.46Å; S192-D195 WeakPolarHBondContact OG-CB 3.43Å; S192-D195 PolarHBondContact OG-N 3.09Å; D195-V197 PolarHBondContact O-N 3.5Å; D195-R199 WeakPolarHBondContact O-CB 3.27Å; D195-R199 PolarHBondContact O-N 2.95Å
196	F	98.2	Very high	96.9	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-47.5	-178	-179.1	-84	0	0	0	111.8	E191 S192 E194 N200 M227 V234 E238 I244	E191-F196 HydrophobicContact CB-CB 4.23Å; S192-F196 WeakPolarHBondContact O-CB 3.42Å; S192-F196 PolarHBondContact O-N 3.27Å; E194-F196 VanDerWaalsContact C-N 3.33Å; E194-F196 PolarHBondContact O-N 3.39Å; F196-N200 HydrophobicContact CE1-CB 4.32Å; F196-N200 VanDerWaalsContact O-CB 3.28Å; F196-N200 WeakPolarHBondContact O-CB 3.33Å; F196-N200 PolarHBondContact O-N 3.49Å; F196-N200 PolarHBondContact O-ND2 3.38Å; F196-N200 VanDerWaalsContact O-ND2 3.11Å; F196-M227 HydrophobicContact CB-CB 3.98Å; F196-M227 HydrophobicContact CB-CG 3.71Å; F196-M227 HydrophobicContact CB-SD 4.18Å; F196-M227 HydrophobicContact CD1-CE 3.61Å; F196-M227 HydrophobicContact CD1-CG 3.85Å; F196-M227 HydrophobicContact CD1-SD 3.79Å; F196-M227 HydrophobicContact CD2-CG 3.83Å; F196-M227 HydrophobicContact CE1-CE 3.63Å; F196-M227 HydrophobicContact CE1-CG 4.45Å; F196-M227 HydrophobicContact CE1-SD 4.42Å; F196-M227 HydrophobicContact CE2-CG 4.39Å; F196-M227 HydrophobicContact CG-CB 4.28Å; F196-M227 HydrophobicContact CG-CE 4.27Å; F196-M227 HydrophobicContact CG-CG 3.51Å; F196-M227 HydrophobicContact CG-SD 4.03Å; F196-M227 HydrophobicContact CZ-CE 4.26Å; F196-V234 HydrophobicContact CE1-CG1 4.33Å; F196-E238 HydrophobicContact CE2-CB 4.14Å; F196-E238 VanDerWaalsContact CE2-OE2 3.28Å; F196-E238 WeakPolarHBondContact CE2-OE2 3.42Å; F196-E238 HydrophobicContact CZ-CB 4.16Å; F196-I244 HydrophobicContact CE1-CD1 4.46Å
197	V	98	Very high	97.1	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-73	-43.8	-174.6	174.2	0	0	0	0	111.1	V193 E194 D195 R199 N200 L201 G202 V205 F206 I210	V193-V197 HydrophobicContact CG1-CG2 4.1Å; V193-V197 VanDerWaalsContact O-CB 3.28Å; V193-V197 WeakPolarHBondContact O-CB 3.36Å; V193-V197 WeakPolarHBondContact O-CG2 3.32Å; V193-V197 PolarHBondContact O-N 2.54Å; E194-V197 PolarHBondContact O-N 3.46Å; D195-V197 PolarHBondContact O-N 3.5Å; V197-R199 VanDerWaalsContact C-N 3.28Å; V197-R199 PolarHBondContact O-N 2.75Å; V197-N200 PolarHBondContact O-N 3.17Å; V197-L201 HydrophobicContact CG1-CB 4.42Å; V197-L201 WeakPolarHBondContact O-CA 3.18Å; V197-L201 WeakPolarHBondContact O-CB 3.45Å; V197-L201 PolarHBondContact O-N 3.36Å; V197-G202 PolarHBondContact O-N 2.78Å; V197-V205 HydrophobicContact CG1-CG1 4.01Å; V197-F206 HydrophobicContact CB-CB 4.45Å; V197-F206 HydrophobicContact CB-CD2 4.23Å; V197-F206 HydrophobicContact CG1-CB 3.82Å; V197-F206 HydrophobicContact CG1-CD2 4.31Å; V197-I210 HydrophobicContact CG1-CB 4.23Å; V197-I210 HydrophobicContact CG1-CG1 3.76Å; V197-I210 HydrophobicContact CG2-CB 4.41Å; V197-I210 HydrophobicContact CG2-CG1 4.17Å; V197-I210 HydrophobicContact CG2-CG2 4.06Å
198	R	98	Very high	97.2	Very high	74 Å²	74	34.5 Å²	34.5	28%	0.279	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-39.5	176.6	-71.4	-172.8	-179.6	-82.4	4.6	111	E194 G202 F206 E207	E194-R198 HydrophobicContact CG-CG 4.19Å; E194-R198 WeakPolarHBondContact O-CB 3.49Å; E194-R198 WeakPolarHBondContact O-CG 3.37Å; E194-R198 PolarHBondContact O-N 2.98Å; E194-R198 IonicContact OE1-CZ 2.98Å; E194-R198 IonicContact OE1-NE 3.31Å; E194-R198 PolarHBondContact OE1-NE 3.07Å; E194-R198 IonicContact OE1-NH2 2.73Å; E194-R198 PolarHBondContact OE1-NH2 3.4Å; E194-R198 VanDerWaalsContact OE1-NH2 3.14Å; R198-G202 VanDerWaalsContact O-CA 3.24Å; R198-G202 WeakPolarHBondContact O-CA 3.37Å; R198-G202 PolarHBondContact O-N 2.64Å; R198-F206 HydrophobicContact CG-CB 3.8Å; R198-F206 HydrophobicContact CG-CD1 4.2Å; R198-F206 HydrophobicContact CG-CG 3.95Å; R198-E207 IonicContact CZ-OE1 3.46Å; R198-E207 IonicContact NH1-OE1 2.85Å; R198-E207 PolarHBondContact NH1-OE1 3.18Å; R198-E207 IonicContact NH2-OE1 3.53Å; R198-E207 PolarHBondContact NH2-OE1 3.26Å
199	R	97.2	Very high	97.3	Very high	25 Å²	25	32 Å²	32	9%	0.094	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-49.1	175.8	-175.1	172.5	61.3	71.8	0.9	112	R174 R183 A184 P185 E191 D195 V197 E238	R174-R199 PolarHBondContact NH2-O 3.14Å; R183-R199 WeakPolarHBondContact CB-O 3.46Å; A184-R199 HydrophobicContact CB-CG 4.11Å; A184-R199 PolarHBondContact O-NH1 2.63Å; P185-R199 WeakPolarHBondContact O-CD 3.45Å; E191-R199 IonicContact OE1-CZ 3.6Å; E191-R199 IonicContact OE1-NE 3.56Å; E191-R199 PolarHBondContact OE1-NE 3.05Å; E191-R199 IonicContact OE1-NH2 3.17Å; E191-R199 PolarHBondContact OE1-NH2 2.79Å; E191-R199 IonicContact OE2-CZ 3.38Å; E191-R199 IonicContact OE2-NE 2.84Å; E191-R199 IonicContact OE2-NH2 3.3Å; E191-R199 PolarHBondContact OE2-NH2 3.18Å; D195-R199 WeakPolarHBondContact O-CB 3.27Å; D195-R199 PolarHBondContact O-N 2.95Å; V197-R199 VanDerWaalsContact C-N 3.28Å; V197-R199 PolarHBondContact O-N 2.75Å; R199-E238 IonicContact CZ-OE1 2.74Å; R199-E238 VanDerWaalsContact CZ-OE1 3.31Å; R199-E238 IonicContact CZ-OE2 3.21Å; R199-E238 IonicContact NH1-OE1 3.02Å; R199-E238 PolarHBondContact NH1-OE1 2.88Å; R199-E238 IonicContact NH1-OE2 2.96Å; R199-E238 IonicContact NH2-OE1 3.77Å; R199-E238 PolarHBondContact NH2-OE1 3Å; R199-E238 IonicContact NH2-OE2 2.71Å; R199-E238 PolarHBondContact NH2-OE2 2.94Å
200	N	97.1	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-79.4	-38	-175.3	-85.9	-87.3	0	0	0	114	G178 R183 F196 V197 E238 I244	G178-N200 CarbonylContact C-O 3.32Å; G178-N200 WeakPolarHBondContact CA-O 3.43Å; R183-N200 WeakPolarHBondContact CD-OD1 3.38Å; R183-N200 PolarHBondContact NE-OD1 3.43Å; F196-N200 HydrophobicContact CE1-CB 4.32Å; F196-N200 VanDerWaalsContact O-CB 3.28Å; F196-N200 WeakPolarHBondContact O-CB 3.33Å; F196-N200 PolarHBondContact O-N 3.49Å; F196-N200 PolarHBondContact O-ND2 3.38Å; F196-N200 VanDerWaalsContact O-ND2 3.11Å; V197-N200 PolarHBondContact O-N 3.17Å; N200-E238 PolarHBondContact ND2-OE1 2.92Å; N200-E238 PolarHBondContact OD1-OE1 3.2Å; N200-I244 HydrophobicContact CB-CD1 3.94Å
201	L	97.1	Very high	97.4	Very high	36 Å²	36	25.9 Å²	25.9	19%	0.188	13%	0.13	C	C	.	.	H	α-helix	trans	-128.3	-12.1	-165.6	-60.7	176.5	0	0	0	113.5	A175 A179 V197 V205 I244	A175-L201 VanDerWaalsContact CA-O 3.25Å; A175-L201 WeakPolarHBondContact CA-O 3.44Å; A175-L201 WeakPolarHBondContact CB-O 3.47Å; A179-L201 HydrophobicContact CB-CD2 3.87Å; V197-L201 HydrophobicContact CG1-CB 4.42Å; V197-L201 WeakPolarHBondContact O-CA 3.18Å; V197-L201 WeakPolarHBondContact O-CB 3.45Å; V197-L201 PolarHBondContact O-N 3.36Å; L201-V205 HydrophobicContact CB-CB 3.85Å; L201-V205 HydrophobicContact CB-CG1 3.8Å; L201-V205 HydrophobicContact CB-CG2 3.97Å; L201-V205 HydrophobicContact CD1-CG1 3.85Å; L201-V205 HydrophobicContact CG-CG1 4.47Å; L201-I244 HydrophobicContact CD1-CD1 4.09Å; L201-I244 HydrophobicContact CD2-CD1 3.87Å; L201-I244 HydrophobicContact CG-CD1 4Å
202	G	97.9	Very high	97.3	Very high	4 Å²	4	25.5 Å²	25.5	4%	0.041	13%	0.128	C	C	.	.			trans	93.9	171.7	176.4	0	0	0	0	0	114.5	V197 R198 F206	V197-G202 PolarHBondContact O-N 2.78Å; R198-G202 VanDerWaalsContact O-CA 3.24Å; R198-G202 WeakPolarHBondContact O-CA 3.37Å; R198-G202 PolarHBondContact O-N 2.64Å; G202-F206 PolarHBondContact O-N 3.13Å
203	A	97	Very high	97.1	Very high	43 Å²	43	29.3 Å²	29.3	36%	0.355	14%	0.144	S	C	.	.	H	α-helix	trans	-62.1	-43.9	-173.4	0	0	0	0	0	113.4	V205 F206 E207	A203-V205 PolarHBondContact O-N 3.47Å; A203-F206 WeakPolarHBondContact O-CB 3.44Å; A203-F206 PolarHBondContact O-N 3.48Å; A203-F206 VanDerWaalsContact O-N 3.17Å; A203-E207 WeakPolarHBondContact O-CG 3.25Å; A203-E207 PolarHBondContact O-N 3.03Å
204	E	97.1	Very high	97	Very high	34 Å²	34	29.3 Å²	29.3	16%	0.159	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-39	-176.9	-61.3	-161.3	174.2	0	0	112.8	M167 S168 F206 R208	M167-E204 WeakPolarHBondContact CA-OE2 3.07Å; M167-E204 HydrophobicContact CG-CB 4.39Å; M167-E204 HydrophobicContact SD-CB 4.32Å; S168-E204 VanDerWaalsContact CB-OE1 3.29Å; S168-E204 WeakPolarHBondContact CB-OE1 3.43Å; S168-E204 PolarHBondContact N-OE2 2.8Å; S168-E204 PolarHBondContact OG-OE1 3.12Å; S168-E204 PolarHBondContact OG-OE2 2.82Å; S168-E204 VanDerWaalsContact OG-OE2 3.13Å; E204-F206 VanDerWaalsContact C-N 3.28Å; E204-F206 PolarHBondContact O-N 2.88Å; E204-R208 VanDerWaalsContact CD-NH1 3.3Å; E204-R208 WeakPolarHBondContact O-CB 3.31Å; E204-R208 VanDerWaalsContact O-CG 3.25Å; E204-R208 WeakPolarHBondContact O-CG 3.34Å; E204-R208 PolarHBondContact O-N 3.4Å; E204-R208 IonicContact OE1-CZ 3.57Å; E204-R208 IonicContact OE1-NH1 2.94Å; E204-R208 IonicContact OE1-NH2 3.58Å; E204-R208 PolarHBondContact OE1-NH2 3.05Å; E204-R208 IonicContact OE2-CZ 3.36Å; E204-R208 IonicContact OE2-NH1 2.93Å; E204-R208 PolarHBondContact OE2-NH1 3.04Å; E204-R208 IonicContact OE2-NH2 3.47Å
205	V	96.8	Very high	96.6	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-42.3	175.3	173.9	0	0	0	0	110.1	M167 A175 V197 L201 A203 L209 I210	M167-V205 HydrophobicContact CE-CG2 3.91Å; M167-V205 HydrophobicContact SD-CB 4.4Å; M167-V205 HydrophobicContact SD-CG2 3.35Å; M167-V205 WeakPolarHBondContact SD-CG2 3.11Å; A175-V205 HydrophobicContact CB-CG2 3.63Å; V197-V205 HydrophobicContact CG1-CG1 4.01Å; L201-V205 HydrophobicContact CB-CB 3.85Å; L201-V205 HydrophobicContact CB-CG1 3.8Å; L201-V205 HydrophobicContact CB-CG2 3.97Å; L201-V205 HydrophobicContact CD1-CG1 3.85Å; L201-V205 HydrophobicContact CG-CG1 4.47Å; A203-V205 PolarHBondContact O-N 3.47Å; V205-L209 HydrophobicContact CG1-CD1 4.48Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 PolarHBondContact O-N 3.13Å; V205-L209 VanDerWaalsContact O-N 3.14Å; V205-I210 HydrophobicContact CG1-CG1 4.1Å; V205-I210 PolarHBondContact O-N 2.95Å
206	F	97.7	Very high	96.3	Very high	6 Å²	6	26 Å²	26	3%	0.026	14%	0.136	C	C	.	.	I	π-helix	trans	-62.1	-60.8	176.7	176.1	-102.9	0	0	0	111.6	E194 V197 R198 G202 A203 E204 R208 I210 E211 P222	E194-F206 HydrophobicContact CB-CD2 4.18Å; E194-F206 HydrophobicContact CB-CE1 4.29Å; E194-F206 HydrophobicContact CB-CE2 3.43Å; E194-F206 VanDerWaalsContact CB-CE2 3.43Å; E194-F206 HydrophobicContact CB-CZ 3.48Å; E194-F206 VanDerWaalsContact CB-CZ 3.48Å; E194-F206 VanDerWaalsContact CD-CE1 3.49Å; E194-F206 VanDerWaalsContact CD-CZ 3.42Å; E194-F206 HydrophobicContact CG-CD1 4.19Å; E194-F206 HydrophobicContact CG-CD2 4.19Å; E194-F206 HydrophobicContact CG-CE1 3.68Å; E194-F206 HydrophobicContact CG-CE2 3.69Å; E194-F206 HydrophobicContact CG-CG 4.4Å; E194-F206 HydrophobicContact CG-CZ 3.39Å; E194-F206 WeakPolarHBondContact OE1-CE1 3.37Å; V197-F206 HydrophobicContact CB-CB 4.45Å; V197-F206 HydrophobicContact CB-CD2 4.23Å; V197-F206 HydrophobicContact CG1-CB 3.82Å; V197-F206 HydrophobicContact CG1-CD2 4.31Å; R198-F206 HydrophobicContact CG-CB 3.8Å; R198-F206 HydrophobicContact CG-CD1 4.2Å; R198-F206 HydrophobicContact CG-CG 3.95Å; G202-F206 PolarHBondContact O-N 3.13Å; A203-F206 WeakPolarHBondContact O-CB 3.44Å; A203-F206 PolarHBondContact O-N 3.48Å; A203-F206 VanDerWaalsContact O-N 3.17Å; E204-F206 VanDerWaalsContact C-N 3.28Å; E204-F206 PolarHBondContact O-N 2.88Å; F206-R208 VanDerWaalsContact C-N 3.32Å; F206-R208 PolarHBondContact O-N 2.8Å; F206-I210 HydrophobicContact CD2-CB 4.46Å; F206-I210 PolarHBondContact O-N 2.62Å; F206-I210 VanDerWaalsContact O-N 3.1Å; F206-E211 HydrophobicContact CE1-CB 4.27Å; F206-E211 HydrophobicContact CE2-CB 4.41Å; F206-E211 HydrophobicContact CZ-CB 4.16Å; F206-E211 WeakPolarHBondContact O-CB 3.44Å; F206-E211 PolarHBondContact O-N 2.82Å; F206-P222 HydrophobicContact CE2-CB 3.85Å; F206-P222 HydrophobicContact CE2-CG 3.94Å; F206-P222 HydrophobicContact CZ-CB 4.1Å; F206-P222 HydrophobicContact CZ-CG 3.7Å
207	E	96.3	Very high	95.9	Very high	58 Å²	58	28.8 Å²	28.8	27%	0.271	15%	0.153	S	C	.	.	I	π-helix	trans	-64.4	-34.5	-171.9	-69.1	161.5	-162.6	0	0	112.9	R198 A203 P212	R198-E207 IonicContact CZ-OE1 3.46Å; R198-E207 IonicContact NH1-OE1 2.85Å; R198-E207 PolarHBondContact NH1-OE1 3.18Å; R198-E207 IonicContact NH2-OE1 3.53Å; R198-E207 PolarHBondContact NH2-OE1 3.26Å; A203-E207 WeakPolarHBondContact O-CG 3.25Å; A203-E207 PolarHBondContact O-N 3.03Å; E207-P212 WeakPolarHBondContact O-CD 3.47Å
208	R	95.9	Very high	95.7	Very high	35 Å²	35	29.4 Å²	29.4	13%	0.132	16%	0.155	C	C	.	.	I	π-helix	trans	-104.1	-13.5	-168.6	-48.9	-175	-170.2	164.7	7.9	113.6	V145 W147 L166 E204 F206	V145-R208 WeakPolarHBondContact CG1-O 3.48Å; W147-R208 HydrophobicContact CD2-CG 4.07Å; W147-R208 HydrophobicContact CE3-CB 4.39Å; W147-R208 HydrophobicContact CE3-CG 3.83Å; W147-R208 HydrophobicContact CH2-CG 3.64Å; W147-R208 HydrophobicContact CZ2-CG 3.91Å; W147-R208 HydrophobicContact CZ3-CB 4.49Å; W147-R208 HydrophobicContact CZ3-CG 3.61Å; L166-R208 WeakPolarHBondContact O-CD 3.37Å; L166-R208 PolarHBondContact O-NH1 3.12Å; E204-R208 VanDerWaalsContact CD-NH1 3.3Å; E204-R208 WeakPolarHBondContact O-CB 3.31Å; E204-R208 VanDerWaalsContact O-CG 3.25Å; E204-R208 WeakPolarHBondContact O-CG 3.34Å; E204-R208 PolarHBondContact O-N 3.4Å; E204-R208 IonicContact OE1-CZ 3.57Å; E204-R208 IonicContact OE1-NH1 2.94Å; E204-R208 IonicContact OE1-NH2 3.58Å; E204-R208 PolarHBondContact OE1-NH2 3.05Å; E204-R208 IonicContact OE2-CZ 3.36Å; E204-R208 IonicContact OE2-NH1 2.93Å; E204-R208 PolarHBondContact OE2-NH1 3.04Å; E204-R208 IonicContact OE2-NH2 3.47Å; F206-R208 VanDerWaalsContact C-N 3.32Å; F206-R208 PolarHBondContact O-N 2.8Å
209	L	95.7	Very high	95.7	Very high	32 Å²	32	26 Å²	26	17%	0.168	14%	0.143	C	C	.	.	I	π-helix	trans	-130.2	-49.5	-178.7	-60.9	170.1	0	0	0	112.3	V154 L166 V205 F213	V154-L209 HydrophobicContact CG1-CD2 4.12Å; V154-L209 HydrophobicContact CG2-CD2 4.14Å; L166-L209 HydrophobicContact CD1-CD2 3.99Å; V205-L209 HydrophobicContact CG1-CD1 4.48Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 PolarHBondContact O-N 3.13Å; V205-L209 VanDerWaalsContact O-N 3.14Å; L209-F213 WeakPolarHBondContact O-CB 3.46Å; L209-F213 PolarHBondContact O-N 2.82Å
210	I	96.8	Very high	95.5	Very high	40 Å²	40	24.9 Å²	24.9	21%	0.205	14%	0.139	C	C	.	.	I	π-helix	trans	-86.5	-42.8	-170.4	-53.1	-55.1	0	0	0	113.1	V193 V197 V205 F206 F213 C214	V193-I210 HydrophobicContact CG1-CG2 3.58Å; V197-I210 HydrophobicContact CG1-CB 4.23Å; V197-I210 HydrophobicContact CG1-CG1 3.76Å; V197-I210 HydrophobicContact CG2-CB 4.41Å; V197-I210 HydrophobicContact CG2-CG1 4.17Å; V197-I210 HydrophobicContact CG2-CG2 4.06Å; V205-I210 HydrophobicContact CG1-CG1 4.1Å; V205-I210 PolarHBondContact O-N 2.95Å; F206-I210 HydrophobicContact CD2-CB 4.46Å; F206-I210 PolarHBondContact O-N 2.62Å; F206-I210 VanDerWaalsContact O-N 3.1Å; I210-F213 WeakPolarHBondContact O-CB 3.08Å; I210-F213 PolarHBondContact O-N 2.86Å; I210-F213 VanDerWaalsContact O-N 3.16Å; I210-C214 WeakPolarHBondContact O-CB 3.27Å; I210-C214 PolarHBondContact O-N 3.49Å; I210-C214 PolarHBondContact O-SG 2.96Å
211	E	96.8	Very high	95.5	Very high	23 Å²	23	26.3 Å²	26.3	11%	0.107	15%	0.147	C	C	.	.	H	α-helix	trans	-54.1	-54.2	173	-178	-149	150.4	0	0	111.9	F206 F213 C214 S215 P222 R395	F206-E211 HydrophobicContact CE1-CB 4.27Å; F206-E211 HydrophobicContact CE2-CB 4.41Å; F206-E211 HydrophobicContact CZ-CB 4.16Å; F206-E211 WeakPolarHBondContact O-CB 3.44Å; F206-E211 PolarHBondContact O-N 2.82Å; E211-F213 VanDerWaalsContact C-N 3.28Å; E211-F213 PolarHBondContact O-N 2.95Å; E211-C214 PolarHBondContact O-N 3.23Å; E211-S215 WeakPolarHBondContact O-CB 3.45Å; E211-S215 PolarHBondContact O-N 2.84Å; E211-S215 PolarHBondContact O-OG 2.85Å; E211-P222 HydrophobicContact CB-CG 4.39Å; E211-P222 HydrophobicContact CG-CG 4.1Å; E211-R395 WeakPolarHBondContact OE1-CB 3.38Å; E211-R395 WeakPolarHBondContact OE1-CG 3.33Å; E211-R395 PolarHBondContact OE1-N 2.9Å
212	P	96.4	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-33.9	176.2	23.5	-34.6	0	0	0	112.4	V145 E207 S215 G216 L392 P394	V145-P212 HydrophobicContact CG1-CG 4.26Å; V145-P212 HydrophobicContact CG2-CG 4.35Å; E207-P212 WeakPolarHBondContact O-CD 3.47Å; P212-S215 WeakPolarHBondContact O-CB 3.43Å; P212-S215 PolarHBondContact O-N 2.63Å; P212-G216 PolarHBondContact O-N 3.08Å; P212-L392 HydrophobicContact CB-CB 3.77Å; P212-P394 HydrophobicContact CB-CG 4.11Å; P212-P394 HydrophobicContact CG-CG 4.05Å
213	F	95.3	Very high	95.4	Very high	83 Å²	83	27 Å²	27	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-64.6	-47.4	175.3	-179.3	-88.9	0	0	0	112.7	L209 I210 E211 S215 G216 V217 F231 L392	L209-F213 WeakPolarHBondContact O-CB 3.46Å; L209-F213 PolarHBondContact O-N 2.82Å; I210-F213 WeakPolarHBondContact O-CB 3.08Å; I210-F213 PolarHBondContact O-N 2.86Å; I210-F213 VanDerWaalsContact O-N 3.16Å; E211-F213 VanDerWaalsContact C-N 3.28Å; E211-F213 PolarHBondContact O-N 2.95Å; F213-S215 VanDerWaalsContact C-N 3.3Å; F213-S215 PolarHBondContact O-N 3.22Å; F213-G216 PolarHBondContact O-N 3.29Å; F213-V217 HydrophobicContact CD1-CG2 4.27Å; F213-V217 HydrophobicContact CD2-CG2 4.28Å; F213-V217 HydrophobicContact CE1-CB 4.38Å; F213-V217 HydrophobicContact CE1-CG2 3.8Å; F213-V217 HydrophobicContact CE2-CG2 3.86Å; F213-V217 HydrophobicContact CG-CG2 4.48Å; F213-V217 HydrophobicContact CZ-CG2 3.61Å; F213-V217 WeakPolarHBondContact O-CG2 3.39Å; F213-V217 PolarHBondContact O-N 2.88Å; F213-F231 AromaticContact CD1-CE1 3.88Å; F213-F231 HydrophobicContact CD1-CE1 3.88Å; F213-F231 AromaticContact CD1-CZ 3.75Å; F213-F231 HydrophobicContact CD1-CZ 3.75Å; F213-F231 AromaticContact CE1-CE1 3.43Å; F213-F231 HydrophobicContact CE1-CE1 3.43Å; F213-F231 VanDerWaalsContact CE1-CE1 3.43Å; F213-F231 AromaticContact CE1-CZ 3.61Å; F213-F231 HydrophobicContact CE1-CZ 3.61Å; F213-F231 HydrophobicContact CZ-CE1 4.47Å; F213-L392 HydrophobicContact CB-CD1 4.49Å
214	C	95.4	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-41.7	175.2	-74.5	0	0	0	0	111.5	I210 E211 G216 Y218 A219 P222 L225	I210-C214 WeakPolarHBondContact O-CB 3.27Å; I210-C214 PolarHBondContact O-N 3.49Å; I210-C214 PolarHBondContact O-SG 2.96Å; E211-C214 PolarHBondContact O-N 3.23Å; C214-G216 VanDerWaalsContact C-N 3.35Å; C214-G216 PolarHBondContact O-N 3.07Å; C214-Y218 WeakPolarHBondContact O-CA 3.45Å; C214-Y218 WeakPolarHBondContact O-CB 3.4Å; C214-Y218 PolarHBondContact O-N 2.88Å; C214-A219 PolarHBondContact O-N 3.49Å; C214-P222 HydrophobicContact CB-CB 3.93Å; C214-P222 HydrophobicContact CB-CG 4.41Å; C214-L225 HydrophobicContact CB-CD1 4.25Å
215	S	90.3	Very high	95.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-43.9	174.4	-54.5	0	0	0	0	111.5	E211 P212 F213 A219	E211-S215 WeakPolarHBondContact O-CB 3.45Å; E211-S215 PolarHBondContact O-N 2.84Å; E211-S215 PolarHBondContact O-OG 2.85Å; P212-S215 WeakPolarHBondContact O-CB 3.43Å; P212-S215 PolarHBondContact O-N 2.63Å; F213-S215 VanDerWaalsContact C-N 3.3Å; F213-S215 PolarHBondContact O-N 3.22Å; S215-A219 WeakPolarHBondContact O-CA 3.37Å; S215-A219 PolarHBondContact O-N 3.17Å; S215-A219 VanDerWaalsContact O-N 3.08Å
216	G	90.8	Very high	95.6	Very high	34 Å²	34	28.3 Å²	28.3	35%	0.351	15%	0.15	S	C	.	.	H	α-helix	trans	-70.5	-39	179.2	0	0	0	0	0	114.8	P212 F213 C214	P212-G216 PolarHBondContact O-N 3.08Å; F213-G216 PolarHBondContact O-N 3.29Å; C214-G216 VanDerWaalsContact C-N 3.35Å; C214-G216 PolarHBondContact O-N 3.07Å
217	V	90.4	Very high	95.6	Very high	59 Å²	59	28.2 Å²	28.2	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-89.4	-42.2	-173.7	175.9	0	0	0	0	112.6	F213 V510	F213-V217 HydrophobicContact CD1-CG2 4.27Å; F213-V217 HydrophobicContact CD2-CG2 4.28Å; F213-V217 HydrophobicContact CE1-CB 4.38Å; F213-V217 HydrophobicContact CE1-CG2 3.8Å; F213-V217 HydrophobicContact CE2-CG2 3.86Å; F213-V217 HydrophobicContact CG-CG2 4.48Å; F213-V217 HydrophobicContact CZ-CG2 3.61Å; F213-V217 WeakPolarHBondContact O-CG2 3.39Å; F213-V217 PolarHBondContact O-N 2.88Å; V217-V510 HydrophobicContact CG1-CG2 4.45Å
218	Y	94.4	Very high	95.6	Very high	18 Å²	18	29.4 Å²	29.4	7%	0.071	15%	0.154	C	C	.	.	H	α-helix	trans	-104.1	-14.1	-175.1	-69.7	-89	0	0	0	112.9	C214 G220 L225 A230 F231 Q476 F477 V510	C214-Y218 WeakPolarHBondContact O-CA 3.45Å; C214-Y218 WeakPolarHBondContact O-CB 3.4Å; C214-Y218 PolarHBondContact O-N 2.88Å; Y218-G220 PolarHBondContact O-N 2.75Å; Y218-L225 HydrophobicContact CD2-CD1 4.23Å; Y218-L225 HydrophobicContact CG-CD1 4.09Å; Y218-A230 HydrophobicContact CE1-CB 4.28Å; Y218-A230 HydrophobicContact CE2-CB 4.17Å; Y218-A230 WeakPolarHBondContact OH-CA 3.14Å; Y218-A230 PolarHBondContact OH-O 3.36Å; Y218-A230 VanDerWaalsContact OH-O 3.11Å; Y218-F231 HydrophobicContact CE2-CE2 4.24Å; Y218-F231 HydrophobicContact CE2-CZ 4.23Å; Y218-Q476 PolarHBondContact O-NE2 2.82Å; Y218-F477 HydrophobicContact CE1-CD2 4.34Å; Y218-F477 HydrophobicContact CE1-CG 4.43Å; Y218-V510 HydrophobicContact CD1-CG1 4.19Å; Y218-V510 HydrophobicContact CD1-CG2 3.9Å; Y218-V510 HydrophobicContact CE1-CB 4.4Å; Y218-V510 HydrophobicContact CE1-CG1 3.96Å; Y218-V510 HydrophobicContact CE1-CG2 3.5Å; Y218-V510 VanDerWaalsContact CE1-CG2 3.5Å
219	A	96.6	Very high	95.6	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.033	16%	0.155	C	C	.	.	S	Bend	trans	48.3	37.7	-161.2	0	0	0	0	0	110.6	C214 S215 V364 L402 G428 S429 I474	C214-A219 PolarHBondContact O-N 3.49Å; S215-A219 WeakPolarHBondContact O-CA 3.37Å; S215-A219 PolarHBondContact O-N 3.17Å; S215-A219 VanDerWaalsContact O-N 3.08Å; A219-V364 HydrophobicContact CB-CG2 3.42Å; A219-V364 VanDerWaalsContact CB-CG2 3.42Å; A219-L402 HydrophobicContact CB-CD1 3.63Å; A219-G428 CarbonylContact O-C 3.57Å; A219-G428 WeakPolarHBondContact O-CA 3.38Å; A219-S429 PolarHBondContact O-N 3.08Å; A219-S429 PolarHBondContact O-OG 2.96Å; A219-I474 HydrophobicContact CB-CD1 4.2Å
220	G	94.5	Very high	95.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	15%	0.152	C	C	.	.			trans	-113.6	162	-165.4	0	0	0	0	0	113.2	Y218 P222	Y218-G220 PolarHBondContact O-N 2.75Å; G220-P222 WeakPolarHBondContact O-CD 3.27Å
221	D	95.9	Very high	95.6	Very high	30 Å²	30	27.7 Å²	27.7	16%	0.16	15%	0.15	C	C	.	.			trans	-90.4	106.8	172.7	180	-6.7	0	0	0	109.1	S223 K224 L225 T430	D221-S223 PolarHBondContact O-N 3.08Å; D221-S223 VanDerWaalsContact O-N 3.14Å; D221-S223 WeakPolarHBondContact OD1-CB 3.48Å; D221-S223 PolarHBondContact OD1-N 2.87Å; D221-S223 PolarHBondContact OD1-OG 2.75Å; D221-S223 PolarHBondContact OD2-OG 2.81Å; D221-K224 HydrophobicContact CB-CD 4.27Å; D221-K224 HydrophobicContact CB-CG 4.39Å; D221-K224 PolarHBondContact O-N 3.02Å; D221-K224 WeakPolarHBondContact OD2-CD 3.43Å; D221-K224 WeakPolarHBondContact OD2-CE 2.92Å; D221-K224 IonicContact OD2-NZ 2.86Å; D221-K224 PolarHBondContact OD2-NZ 2.81Å; D221-L225 WeakPolarHBondContact O-CG 3.27Å; D221-L225 PolarHBondContact O-N 3.46Å; D221-T430 HydrophobicContact CB-CG2 4.15Å
222	P	96.8	Very high	95.5	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.052	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	-176.4	28.8	-37.2	0	0	0	113.9	V193 E194 F206 E211 C214 G220 K224	V193-P222 HydrophobicContact CB-CB 4.27Å; V193-P222 HydrophobicContact CG1-CB 4.47Å; V193-P222 PolarHBondContact N-O 3.43Å; E194-P222 PolarHBondContact N-O 3.29Å; E194-P222 VanDerWaalsContact N-O 3.08Å; F206-P222 HydrophobicContact CE2-CB 3.85Å; F206-P222 HydrophobicContact CE2-CG 3.94Å; F206-P222 HydrophobicContact CZ-CB 4.1Å; F206-P222 HydrophobicContact CZ-CG 3.7Å; E211-P222 HydrophobicContact CB-CG 4.39Å; E211-P222 HydrophobicContact CG-CG 4.1Å; C214-P222 HydrophobicContact CB-CB 3.93Å; C214-P222 HydrophobicContact CB-CG 4.41Å; G220-P222 WeakPolarHBondContact O-CD 3.27Å; P222-K224 PolarHBondContact O-N 2.82Å
223	S	97.2	Very high	95.3	Very high	45 Å²	45	34 Å²	34	32%	0.315	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.2	172.2	75.7	0	0	0	0	112.6	S192 E194 D221	S192-S223 WeakPolarHBondContact CB-O 3.27Å; S192-S223 PolarHBondContact OG-O 3.19Å; E194-S223 WeakPolarHBondContact OE2-CB 3.37Å; D221-S223 PolarHBondContact O-N 3.08Å; D221-S223 VanDerWaalsContact O-N 3.14Å; D221-S223 WeakPolarHBondContact OD1-CB 3.48Å; D221-S223 PolarHBondContact OD1-N 2.87Å; D221-S223 PolarHBondContact OD1-OG 2.75Å; D221-S223 PolarHBondContact OD2-OG 2.81Å
224	K	97.9	Very high	95.2	Very high	116 Å²	116	32.8 Å²	32.8	50%	0.504	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-23.6	-178.1	-57	177.9	-176.3	164.4	0	113.7	D221 P222 S226 L478 I479	D221-K224 HydrophobicContact CB-CD 4.27Å; D221-K224 HydrophobicContact CB-CG 4.39Å; D221-K224 PolarHBondContact O-N 3.02Å; D221-K224 WeakPolarHBondContact OD2-CD 3.43Å; D221-K224 WeakPolarHBondContact OD2-CE 2.92Å; D221-K224 IonicContact OD2-NZ 2.86Å; D221-K224 PolarHBondContact OD2-NZ 2.81Å; P222-K224 PolarHBondContact O-N 2.82Å; K224-S226 PolarHBondContact O-N 3.2Å; K224-L478 HydrophobicContact CB-CD2 3.85Å; K224-L478 CarbonylContact O-C 3.37Å; K224-L478 VanDerWaalsContact O-CA 3.27Å; K224-L478 WeakPolarHBondContact O-CA 3.5Å; K224-I479 PolarHBondContact O-N 3.46Å
225	L	98	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-66.4	130.2	177.5	-70.9	175.2	0	0	0	110.7	S192 V193 C214 Y218 D221 M227 Q476 F477	S192-L225 CarbonylContact C-O 3.59Å; S192-L225 WeakPolarHBondContact CA-O 3.45Å; V193-L225 HydrophobicContact CG2-CB 3.86Å; V193-L225 PolarHBondContact N-O 2.75Å; C214-L225 HydrophobicContact CB-CD1 4.25Å; Y218-L225 HydrophobicContact CD2-CD1 4.23Å; Y218-L225 HydrophobicContact CG-CD1 4.09Å; D221-L225 WeakPolarHBondContact O-CG 3.27Å; D221-L225 PolarHBondContact O-N 3.46Å; L225-M227 PolarHBondContact O-N 3.05Å; L225-Q476 HydrophobicContact CD2-CB 4.35Å; L225-F477 CarbonylContact C-O 3.49Å; L225-F477 WeakPolarHBondContact CA-O 3.16Å; L225-F477 HydrophobicContact CD2-CB 4.49Å
226	S	98.1	Very high	95.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-66.8	125.2	171.9	162.4	0	0	0	0	110.8	E190 K224 K228 A229 A230 F477 L478	E190-S226 WeakPolarHBondContact OE1-CB 3.47Å; E190-S226 PolarHBondContact OE1-OG 3.12Å; K224-S226 PolarHBondContact O-N 3.2Å; S226-K228 VanDerWaalsContact C-N 3.26Å; S226-K228 PolarHBondContact O-N 3.43Å; S226-K228 PolarHBondContact OG-N 2.91Å; S226-A229 PolarHBondContact O-N 3.24Å; S226-A229 PolarHBondContact OG-N 3.04Å; S226-A230 VanDerWaalsContact O-CB 3.27Å; S226-A230 WeakPolarHBondContact O-CB 3.39Å; S226-A230 PolarHBondContact O-N 2.95Å; S226-F477 PolarHBondContact N-O 2.82Å; S226-L478 WeakPolarHBondContact CB-O 3.42Å
227	M	97.6	Very high	95.6	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-37.8	172.6	-174.3	67.2	-167.3	0	0	111.5	E191 V193 F196 L225 F231 G232 V234 W235	E191-M227 PolarHBondContact O-N 2.92Å; V193-M227 HydrophobicContact CB-SD 4.46Å; V193-M227 HydrophobicContact CG1-SD 4.29Å; V193-M227 HydrophobicContact CG2-SD 4.2Å; F196-M227 HydrophobicContact CB-CB 3.98Å; F196-M227 HydrophobicContact CB-CG 3.71Å; F196-M227 HydrophobicContact CB-SD 4.18Å; F196-M227 HydrophobicContact CD1-CE 3.61Å; F196-M227 HydrophobicContact CD1-CG 3.85Å; F196-M227 HydrophobicContact CD1-SD 3.79Å; F196-M227 HydrophobicContact CD2-CG 3.83Å; F196-M227 HydrophobicContact CE1-CE 3.63Å; F196-M227 HydrophobicContact CE1-CG 4.45Å; F196-M227 HydrophobicContact CE1-SD 4.42Å; F196-M227 HydrophobicContact CE2-CG 4.39Å; F196-M227 HydrophobicContact CG-CB 4.28Å; F196-M227 HydrophobicContact CG-CE 4.27Å; F196-M227 HydrophobicContact CG-CG 3.51Å; F196-M227 HydrophobicContact CG-SD 4.03Å; F196-M227 HydrophobicContact CZ-CE 4.26Å; L225-M227 PolarHBondContact O-N 3.05Å; M227-F231 HydrophobicContact CE-CB 3.41Å; M227-F231 VanDerWaalsContact CE-CB 3.41Å; M227-F231 HydrophobicContact CE-CG 4.2Å; M227-F231 CarbonylContact O-C 3.52Å; M227-F231 VanDerWaalsContact O-CA 3.31Å; M227-F231 WeakPolarHBondContact O-CA 3.4Å; M227-F231 PolarHBondContact O-N 2.92Å; M227-F231 HydrophobicContact SD-CB 3.67Å; M227-F231 HydrophobicContact SD-CD2 4.14Å; M227-F231 HydrophobicContact SD-CG 4.16Å; M227-G232 PolarHBondContact O-N 3.18Å; M227-V234 HydrophobicContact CE-CB 3.7Å; M227-V234 HydrophobicContact CE-CG1 3.63Å; M227-W235 HydrophobicContact CG-CB 4.12Å; M227-W235 HydrophobicContact CG-CG 4.47Å
228	K	96.6	Very high	95.7	Very high	83 Å²	83	40 Å²	40	36%	0.361	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-43.4	-179.5	-175.5	-177.9	177.6	-173.5	0	111.5	S226 G232 W235 L482	S226-K228 VanDerWaalsContact C-N 3.26Å; S226-K228 PolarHBondContact O-N 3.43Å; S226-K228 PolarHBondContact OG-N 2.91Å; K228-G232 WeakPolarHBondContact O-CA 3.34Å; K228-G232 PolarHBondContact O-N 2.89Å; K228-W235 HydrophobicContact CB-CD2 4.05Å; K228-W235 HydrophobicContact CB-CE3 4.49Å; K228-W235 HydrophobicContact CB-CG 4.23Å; K228-W235 HydrophobicContact CD-CH2 4.18Å; K228-W235 HydrophobicContact CD-CZ2 4.16Å; K228-W235 HydrophobicContact CD-CZ3 4.41Å; K228-W235 HydrophobicContact CG-CD2 3.95Å; K228-W235 HydrophobicContact CG-CE3 3.92Å; K228-W235 HydrophobicContact CG-CH2 4.31Å; K228-W235 HydrophobicContact CG-CZ2 4.31Å; K228-W235 HydrophobicContact CG-CZ3 4.11Å; K228-L482 HydrophobicContact CD-CD1 4.14Å; K228-L482 HydrophobicContact CG-CD1 3.94Å
229	A	97.1	Very high	95.4	Very high	18 Å²	18	44.8 Å²	44.8	15%	0.149	22%	0.221	C	C	.	.	H	α-helix	trans	-77.8	-49.2	-179.2	0	0	0	0	0	112.3	S226 F477 H481 L482	S226-A229 PolarHBondContact O-N 3.24Å; S226-A229 PolarHBondContact OG-N 3.04Å; A229-F477 HydrophobicContact CB-CB 3.93Å; A229-F477 HydrophobicContact CB-CD2 4.11Å; A229-F477 HydrophobicContact CB-CG 4.38Å; A229-H481 HydrophobicContact CB-CB 4.18Å; A229-L482 HydrophobicContact CB-CD1 4.3Å; A229-L482 HydrophobicContact CB-CD2 4.44Å; A229-L482 HydrophobicContact CB-CG 3.97Å
230	A	96.1	Very high	95.2	Very high	15 Å²	15	46.5 Å²	46.5	12%	0.124	23%	0.231	C	C	.	.	H	α-helix	trans	-77.7	-38.4	-174.7	0	0	0	0	0	112.8	Y218 S226 F477	Y218-A230 HydrophobicContact CE1-CB 4.28Å; Y218-A230 HydrophobicContact CE2-CB 4.17Å; Y218-A230 WeakPolarHBondContact OH-CA 3.14Å; Y218-A230 PolarHBondContact OH-O 3.36Å; Y218-A230 VanDerWaalsContact OH-O 3.11Å; S226-A230 VanDerWaalsContact O-CB 3.27Å; S226-A230 WeakPolarHBondContact O-CB 3.39Å; S226-A230 PolarHBondContact O-N 2.95Å; A230-F477 HydrophobicContact CB-CB 4.35Å
231	F	95.6	Very high	95	Very high	37 Å²	37	47.9 Å²	47.9	16%	0.162	25%	0.246	C	C	.	.	S	Bend	trans	-126.2	36.9	-173.5	-64.7	-90.1	0	0	0	112.3	V193 F213 Y218 M227 K233 V234 W235	V193-F231 HydrophobicContact CG1-CD2 4.32Å; V193-F231 HydrophobicContact CG1-CE2 4.1Å; V193-F231 HydrophobicContact CG2-CD2 3.61Å; V193-F231 HydrophobicContact CG2-CE2 3.71Å; F213-F231 AromaticContact CD1-CE1 3.88Å; F213-F231 HydrophobicContact CD1-CE1 3.88Å; F213-F231 AromaticContact CD1-CZ 3.75Å; F213-F231 HydrophobicContact CD1-CZ 3.75Å; F213-F231 AromaticContact CE1-CE1 3.43Å; F213-F231 HydrophobicContact CE1-CE1 3.43Å; F213-F231 VanDerWaalsContact CE1-CE1 3.43Å; F213-F231 AromaticContact CE1-CZ 3.61Å; F213-F231 HydrophobicContact CE1-CZ 3.61Å; F213-F231 HydrophobicContact CZ-CE1 4.47Å; Y218-F231 HydrophobicContact CE2-CE2 4.24Å; Y218-F231 HydrophobicContact CE2-CZ 4.23Å; M227-F231 HydrophobicContact CE-CB 3.41Å; M227-F231 VanDerWaalsContact CE-CB 3.41Å; M227-F231 HydrophobicContact CE-CG 4.2Å; M227-F231 CarbonylContact O-C 3.52Å; M227-F231 VanDerWaalsContact O-CA 3.31Å; M227-F231 WeakPolarHBondContact O-CA 3.4Å; M227-F231 PolarHBondContact O-N 2.92Å; M227-F231 HydrophobicContact SD-CB 3.67Å; M227-F231 HydrophobicContact SD-CD2 4.14Å; M227-F231 HydrophobicContact SD-CG 4.16Å; F231-K233 PolarHBondContact O-N 2.81Å; F231-V234 PolarHBondContact O-N 3.01Å; F231-W235 PolarHBondContact O-N 2.89Å
232	G	94	Very high	94.7	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-21.8	-173.9	0	0	0	0	0	115.8	M227 K228 R236	M227-G232 PolarHBondContact O-N 3.18Å; K228-G232 WeakPolarHBondContact O-CA 3.34Å; K228-G232 PolarHBondContact O-N 2.89Å; G232-R236 WeakPolarHBondContact O-CB 3.14Å; G232-R236 VanDerWaalsContact O-CG 3.24Å; G232-R236 WeakPolarHBondContact O-CG 3.48Å; G232-R236 PolarHBondContact O-N 3.19Å; G232-R236 PolarHBondContact O-NE 2.86Å
233	K	92.4	Very high	94.6	Very high	139 Å²	139	49 Å²	49	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-69.4	-40.1	171	-72.2	-178.6	-178	171.8	0	112.4	F231 L237	F231-K233 PolarHBondContact O-N 2.81Å; K233-L237 WeakPolarHBondContact O-CG 3.48Å
234	V	94	Very high	94.4	Very high	56 Å²	56	48 Å²	48	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-79.2	-43.3	179.5	178.7	0	0	0	0	110.5	F196 M227 F231 R236 L237	F196-V234 HydrophobicContact CE1-CG1 4.33Å; M227-V234 HydrophobicContact CE-CB 3.7Å; M227-V234 HydrophobicContact CE-CG1 3.63Å; F231-V234 PolarHBondContact O-N 3.01Å; V234-R236 VanDerWaalsContact C-N 3.26Å; V234-R236 PolarHBondContact O-N 3.09Å; V234-L237 WeakPolarHBondContact O-CB 3.49Å; V234-L237 PolarHBondContact O-N 2.74Å
235	W	94.5	Very high	94.2	Very high	68 Å²	68	45.6 Å²	45.6	26%	0.258	25%	0.247	S	C	.	.	H	α-helix	trans	-53.2	-44.7	175.1	179.8	79.5	0	0	0	111.7	M227 K228 F231 L237 E238 D239	M227-W235 HydrophobicContact CG-CB 4.12Å; M227-W235 HydrophobicContact CG-CG 4.47Å; K228-W235 HydrophobicContact CB-CD2 4.05Å; K228-W235 HydrophobicContact CB-CE3 4.49Å; K228-W235 HydrophobicContact CB-CG 4.23Å; K228-W235 HydrophobicContact CD-CH2 4.18Å; K228-W235 HydrophobicContact CD-CZ2 4.16Å; K228-W235 HydrophobicContact CD-CZ3 4.41Å; K228-W235 HydrophobicContact CG-CD2 3.95Å; K228-W235 HydrophobicContact CG-CE3 3.92Å; K228-W235 HydrophobicContact CG-CH2 4.31Å; K228-W235 HydrophobicContact CG-CZ2 4.31Å; K228-W235 HydrophobicContact CG-CZ3 4.11Å; F231-W235 PolarHBondContact O-N 2.89Å; W235-L237 PolarHBondContact O-N 2.76Å; W235-E238 PolarHBondContact O-N 2.71Å; W235-D239 PolarHBondContact O-N 2.77Å
236	R	94.6	Very high	94.1	Very high	134 Å²	134	46.6 Å²	46.6	51%	0.506	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-23.3	176.8	-81.6	-175.3	-70.3	175.5	-6.6	114.7	G232 V234 D239 T240	G232-R236 WeakPolarHBondContact O-CB 3.14Å; G232-R236 VanDerWaalsContact O-CG 3.24Å; G232-R236 WeakPolarHBondContact O-CG 3.48Å; G232-R236 PolarHBondContact O-N 3.19Å; G232-R236 PolarHBondContact O-NE 2.86Å; V234-R236 VanDerWaalsContact C-N 3.26Å; V234-R236 PolarHBondContact O-N 3.09Å; R236-D239 PolarHBondContact O-N 3.42Å; R236-T240 WeakPolarHBondContact O-CB 3.49Å; R236-T240 PolarHBondContact O-N 3.24Å; R236-T240 PolarHBondContact O-OG1 3.01Å
237	L	94.6	Very high	94	Very high	31 Å²	31	46.6 Å²	46.6	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-43.5	178.3	-60.4	175.8	0	0	0	110.5	K233 V234 W235 T240 G241 I244 G247	K233-L237 WeakPolarHBondContact O-CG 3.48Å; V234-L237 WeakPolarHBondContact O-CB 3.49Å; V234-L237 PolarHBondContact O-N 2.74Å; W235-L237 PolarHBondContact O-N 2.76Å; L237-T240 PolarHBondContact O-N 2.95Å; L237-G241 PolarHBondContact O-N 2.94Å; L237-G241 VanDerWaalsContact O-N 3.07Å; L237-I244 HydrophobicContact CD1-CG2 4.32Å; L237-G247 WeakPolarHBondContact O-CA 3.31Å
238	E	92.6	Very high	93.8	Very high	15 Å²	15	49 Å²	49	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-47.6	176	-172	-176.9	-124	0	0	110.9	R183 F196 R199 N200 W235 T240 G242	R183-E238 IonicContact CZ-OE1 2.64Å; R183-E238 IonicContact NE-OE1 2.63Å; R183-E238 PolarHBondContact NE-OE1 2.96Å; R183-E238 VanDerWaalsContact NE-OE1 3.17Å; R183-E238 IonicContact NH1-OE1 3.49Å; R183-E238 PolarHBondContact NH1-OE1 3.21Å; R183-E238 IonicContact NH2-OE1 3.93Å; R183-E238 PolarHBondContact NH2-OE1 2.9Å; F196-E238 HydrophobicContact CE2-CB 4.14Å; F196-E238 VanDerWaalsContact CE2-OE2 3.28Å; F196-E238 WeakPolarHBondContact CE2-OE2 3.42Å; F196-E238 HydrophobicContact CZ-CB 4.16Å; R199-E238 IonicContact CZ-OE1 2.74Å; R199-E238 VanDerWaalsContact CZ-OE1 3.31Å; R199-E238 IonicContact CZ-OE2 3.21Å; R199-E238 IonicContact NH1-OE1 3.02Å; R199-E238 PolarHBondContact NH1-OE1 2.88Å; R199-E238 IonicContact NH1-OE2 2.96Å; R199-E238 IonicContact NH2-OE1 3.77Å; R199-E238 PolarHBondContact NH2-OE1 3Å; R199-E238 IonicContact NH2-OE2 2.71Å; R199-E238 PolarHBondContact NH2-OE2 2.94Å; N200-E238 PolarHBondContact ND2-OE1 2.92Å; N200-E238 PolarHBondContact OD1-OE1 3.2Å; W235-E238 PolarHBondContact O-N 2.71Å; E238-T240 PolarHBondContact O-N 3.33Å; E238-G242 CarbonylContact O-C 3.6Å; E238-G242 VanDerWaalsContact O-CA 3.23Å; E238-G242 WeakPolarHBondContact O-CA 3.4Å; E238-G242 PolarHBondContact O-N 3.38Å
239	D	89.1	Confident	93.8	Very high	118 Å²	118	49.1 Å²	49.1	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-61	-42.7	177.9	-177	66.4	0	0	0	112.5	W235 R236	W235-D239 PolarHBondContact O-N 2.77Å; R236-D239 PolarHBondContact O-N 3.42Å
240	T	91.5	Very high	93.6	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-73.3	-38.4	-174.6	-61.6	0	0	0	0	112.8	R236 L237 E238 K250	R236-T240 WeakPolarHBondContact O-CB 3.49Å; R236-T240 PolarHBondContact O-N 3.24Å; R236-T240 PolarHBondContact O-OG1 3.01Å; L237-T240 PolarHBondContact O-N 2.95Å; E238-T240 PolarHBondContact O-N 3.33Å; T240-K250 HydrophobicContact CG2-CB 4.31Å; T240-K250 HydrophobicContact CG2-CD 3.65Å; T240-K250 HydrophobicContact CG2-CG 3.9Å; T240-K250 WeakPolarHBondContact O-CD 3.23Å; T240-K250 PolarHBondContact O-NZ 2.88Å
241	G	89.9	Confident	93.5	Very high	30 Å²	30	53.1 Å²	53.1	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-130.3	11.3	-169.7	0	0	0	0	0	115.9	L237 S243	L237-G241 PolarHBondContact O-N 2.94Å; L237-G241 VanDerWaalsContact O-N 3.07Å; G241-S243 PolarHBondContact O-N 2.79Å
242	G	91.4	Very high	93.4	Very high	50 Å²	50	56.5 Å²	56.5	52%	0.515	31%	0.308	S	S	.	.	S	Bend	trans	75.3	-19.2	179.4	0	0	0	0	0	114.9	R183 E238	R183-G242 PolarHBondContact NH2-O 2.97Å; E238-G242 CarbonylContact O-C 3.6Å; E238-G242 VanDerWaalsContact O-CA 3.23Å; E238-G242 WeakPolarHBondContact O-CA 3.4Å; E238-G242 PolarHBondContact O-N 3.38Å
243	S	93.9	Very high	93.3	Very high	11 Å²	11	61.2 Å²	61.2	8%	0.077	33%	0.326	C	S	.	.	S	Bend	trans	-148.2	168.1	173.9	70.7	0	0	0	0	110.6	A179 L180 G241 I245 G246 G247	A179-S243 WeakPolarHBondContact O-CB 3.45Å; A179-S243 PolarHBondContact O-OG 3.39Å; L180-S243 PolarHBondContact O-OG 3.07Å; G241-S243 PolarHBondContact O-N 2.79Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.26Å; S243-G246 PolarHBondContact O-N 3.13Å; S243-G246 PolarHBondContact OG-N 3.23Å; S243-G247 PolarHBondContact O-N 3.01Å
244	I	93.6	Very high	93.3	Very high	26 Å²	26	58.9 Å²	58.9	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-44.5	178.6	-66.6	170.2	0	0	0	110.5	F196 N200 L201 L237 T248	F196-I244 HydrophobicContact CE1-CD1 4.46Å; N200-I244 HydrophobicContact CB-CD1 3.94Å; L201-I244 HydrophobicContact CD1-CD1 4.09Å; L201-I244 HydrophobicContact CD2-CD1 3.87Å; L201-I244 HydrophobicContact CG-CD1 4Å; L237-I244 HydrophobicContact CD1-CG2 4.32Å; I244-T248 WeakPolarHBondContact O-CB 3.49Å; I244-T248 PolarHBondContact O-N 2.81Å; I244-T248 PolarHBondContact O-OG1 2.92Å
245	I	93.7	Very high	93	Very high	65 Å²	65	63.5 Å²	63.5	33%	0.333	33%	0.328	S	S	.	.	H	α-helix	trans	-70.1	-45.1	178.3	-69.2	171	0	0	0	110.7	A179 L180 S243 G247 T248 I249	A179-I245 HydrophobicContact CB-CD1 3.84Å; A179-I245 HydrophobicContact CB-CG1 4.11Å; A179-I245 WeakPolarHBondContact O-CG1 3.11Å; A179-I245 PolarHBondContact O-N 2.91Å; A179-I245 VanDerWaalsContact O-N 3.12Å; L180-I245 HydrophobicContact CD2-CD1 3.6Å; L180-I245 HydrophobicContact CD2-CG2 4.45Å; L180-I245 HydrophobicContact CG-CD1 3.89Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.26Å; I245-G247 VanDerWaalsContact C-N 3.31Å; I245-G247 PolarHBondContact O-N 3.01Å; I245-T248 WeakPolarHBondContact O-CB 3.26Å; I245-T248 PolarHBondContact O-N 2.9Å; I245-T248 VanDerWaalsContact O-N 3.11Å; I245-I249 HydrophobicContact CG2-CD1 3.9Å; I245-I249 HydrophobicContact CG2-CG1 4.45Å; I245-I249 WeakPolarHBondContact O-CG1 3.47Å; I245-I249 PolarHBondContact O-N 3.25Å
246	G	94.7	Very high	92.7	Very high	20 Å²	20	63.4 Å²	63.4	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-57.3	-45.1	176.9	0	0	0	0	0	112.1	S243 T248 I249 K250	S243-G246 PolarHBondContact O-N 3.13Å; S243-G246 PolarHBondContact OG-N 3.23Å; G246-T248 VanDerWaalsContact C-N 3.35Å; G246-T248 PolarHBondContact O-N 3.01Å; G246-I249 PolarHBondContact O-N 3.09Å; G246-K250 WeakPolarHBondContact O-CB 3.38Å; G246-K250 PolarHBondContact O-N 3.5Å
247	G	95.9	Very high	92.6	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-37.7	175.1	0	0	0	0	0	113.4	L237 S243 I245 T251	L237-G247 WeakPolarHBondContact O-CA 3.31Å; S243-G247 PolarHBondContact O-N 3.01Å; I245-G247 VanDerWaalsContact C-N 3.31Å; I245-G247 PolarHBondContact O-N 3.01Å; G247-T251 VanDerWaalsContact O-CB 3.3Å; G247-T251 WeakPolarHBondContact O-CB 3.45Å; G247-T251 PolarHBondContact O-N 3.42Å; G247-T251 PolarHBondContact O-OG1 2.92Å
248	T	94.5	Very high	92.3	Very high	56 Å²	56	69.5 Å²	69.5	34%	0.344	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-47.7	176.1	-59.8	0	0	0	0	111	I244 I245 G246 T251 I252	I244-T248 WeakPolarHBondContact O-CB 3.49Å; I244-T248 PolarHBondContact O-N 2.81Å; I244-T248 PolarHBondContact O-OG1 2.92Å; I245-T248 WeakPolarHBondContact O-CB 3.26Å; I245-T248 PolarHBondContact O-N 2.9Å; I245-T248 VanDerWaalsContact O-N 3.11Å; G246-T248 VanDerWaalsContact C-N 3.35Å; G246-T248 PolarHBondContact O-N 3.01Å; T248-T251 PolarHBondContact O-N 2.84Å; T248-I252 HydrophobicContact CG2-CD1 4.06Å; T248-I252 WeakPolarHBondContact O-CG1 3.26Å; T248-I252 PolarHBondContact O-N 3.2Å
249	I	95.4	Very high	92	Very high	86 Å²	86	73.9 Å²	73.9	44%	0.441	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-48.6	177.8	-67.7	168.8	0	0	0	110.3	I245 G246 T251 I252 Q253	I245-I249 HydrophobicContact CG2-CD1 3.9Å; I245-I249 HydrophobicContact CG2-CG1 4.45Å; I245-I249 WeakPolarHBondContact O-CG1 3.47Å; I245-I249 PolarHBondContact O-N 3.25Å; G246-I249 PolarHBondContact O-N 3.09Å; I249-T251 PolarHBondContact O-N 3.22Å; I249-I252 PolarHBondContact O-N 3.34Å; I249-I252 VanDerWaalsContact O-N 3.15Å; I249-Q253 HydrophobicContact CG2-CG 4.47Å; I249-Q253 WeakPolarHBondContact O-CG 3.35Å; I249-Q253 PolarHBondContact O-N 3.25Å
250	K	94.1	Very high	91.8	Very high	84 Å²	84	76.4 Å²	76.4	37%	0.365	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-41.5	179.3	-177.7	165.4	161.8	-167.7	0	112.2	T240 G246 I252 Q253 E254	T240-K250 HydrophobicContact CG2-CB 4.31Å; T240-K250 HydrophobicContact CG2-CD 3.65Å; T240-K250 HydrophobicContact CG2-CG 3.9Å; T240-K250 WeakPolarHBondContact O-CD 3.23Å; T240-K250 PolarHBondContact O-NZ 2.88Å; G246-K250 WeakPolarHBondContact O-CB 3.38Å; G246-K250 PolarHBondContact O-N 3.5Å; K250-I252 VanDerWaalsContact C-N 3.3Å; K250-I252 PolarHBondContact O-N 3.17Å; K250-Q253 PolarHBondContact O-N 3.5Å; K250-E254 WeakPolarHBondContact CE-OE1 3.37Å; K250-E254 HydrophobicContact CG-CG 4.47Å; K250-E254 WeakPolarHBondContact CG-OE1 3.44Å; K250-E254 WeakPolarHBondContact O-CB 3.46Å; K250-E254 WeakPolarHBondContact O-CG 3.24Å; K250-E254 PolarHBondContact O-N 3.38Å
251	T	93.5	Very high	91.5	Very high	33 Å²	33	79.8 Å²	79.8	20%	0.202	44%	0.441	C	S	.	.	H	α-helix	trans	-60.6	-38.9	174.5	-60	0	0	0	0	112	G247 T248 I249 R255	G247-T251 VanDerWaalsContact O-CB 3.3Å; G247-T251 WeakPolarHBondContact O-CB 3.45Å; G247-T251 PolarHBondContact O-N 3.42Å; G247-T251 PolarHBondContact O-OG1 2.92Å; T248-T251 PolarHBondContact O-N 2.84Å; I249-T251 PolarHBondContact O-N 3.22Å; T251-R255 WeakPolarHBondContact O-CB 3.34Å; T251-R255 VanDerWaalsContact O-CG 3.26Å; T251-R255 WeakPolarHBondContact O-CG 3.39Å; T251-R255 PolarHBondContact O-N 3.08Å; T251-R255 VanDerWaalsContact O-N 3.08Å
252	I	92.7	Very high	91.5	Very high	108 Å²	108	84.6 Å²	84.6	55%	0.554	47%	0.466	S	S	*	.	H	α-helix	trans	-67.3	-44.4	176.2	-69.1	166.5	0	0	0	110.6	T248 I249 K250 E254 R255 G256	T248-I252 HydrophobicContact CG2-CD1 4.06Å; T248-I252 WeakPolarHBondContact O-CG1 3.26Å; T248-I252 PolarHBondContact O-N 3.2Å; I249-I252 PolarHBondContact O-N 3.34Å; I249-I252 VanDerWaalsContact O-N 3.15Å; K250-I252 VanDerWaalsContact C-N 3.3Å; K250-I252 PolarHBondContact O-N 3.17Å; I252-E254 PolarHBondContact O-N 3.04Å; I252-R255 PolarHBondContact O-N 2.99Å; I252-G256 PolarHBondContact O-N 3.31Å
253	Q	93	Very high	91.6	Very high	117 Å²	117	86.6 Å²	86.6	55%	0.547	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-43.8	177.3	-70.8	173.4	-9.9	0	0	112	I249 K250 G256 K257	I249-Q253 HydrophobicContact CG2-CG 4.47Å; I249-Q253 WeakPolarHBondContact O-CG 3.35Å; I249-Q253 PolarHBondContact O-N 3.25Å; K250-Q253 PolarHBondContact O-N 3.5Å; Q253-G256 PolarHBondContact O-N 2.93Å; Q253-K257 PolarHBondContact O-N 2.9Å; Q253-K257 VanDerWaalsContact O-N 3.14Å
254	E	91.4	Very high	91.5	Very high	89 Å²	89	88.2 Å²	88.2	42%	0.416	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-38.7	177.2	-73.7	172.6	-175.5	0	0	112.1	K250 I252 G256 K257 N258	K250-E254 WeakPolarHBondContact CE-OE1 3.37Å; K250-E254 HydrophobicContact CG-CG 4.47Å; K250-E254 WeakPolarHBondContact CG-OE1 3.44Å; K250-E254 WeakPolarHBondContact O-CB 3.46Å; K250-E254 WeakPolarHBondContact O-CG 3.24Å; K250-E254 PolarHBondContact O-N 3.38Å; I252-E254 PolarHBondContact O-N 3.04Å; E254-G256 VanDerWaalsContact C-N 3.32Å; E254-G256 PolarHBondContact O-N 3.22Å; E254-K257 PolarHBondContact O-N 3.03Å; E254-N258 PolarHBondContact O-N 2.68Å
255	R	88.4	Confident	91.7	Very high	154 Å²	154	93 Å²	93	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-66.2	-32.6	173.5	-75.7	175.1	-178.9	-177.6	5	113.1	T251 I252 K257 N258	T251-R255 WeakPolarHBondContact O-CB 3.34Å; T251-R255 VanDerWaalsContact O-CG 3.26Å; T251-R255 WeakPolarHBondContact O-CG 3.39Å; T251-R255 PolarHBondContact O-N 3.08Å; T251-R255 VanDerWaalsContact O-N 3.08Å; I252-R255 PolarHBondContact O-N 2.99Å; R255-K257 VanDerWaalsContact C-N 3.32Å; R255-N258 CarbonylContact O-C 3.03Å
256	G	89.4	Confident	91.8	Very high	65 Å²	65	95.3 Å²	95.3	67%	0.67	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-34.8	173	0	0	0	0	0	112.5	I252 Q253 E254	I252-G256 PolarHBondContact O-N 3.31Å; Q253-G256 PolarHBondContact O-N 2.93Å; E254-G256 VanDerWaalsContact C-N 3.32Å; E254-G256 PolarHBondContact O-N 3.22Å
257	K	91.4	Very high	91.9	Very high	168 Å²	168	94.8 Å²	94.8	73%	0.73	50%	0.496	S	S	*	.	H	α-helix	trans	-77.3	-35.1	176.8	-67.7	177.6	-178.7	-178.8	0	113.1	Q253 E254 R255 P259	Q253-K257 PolarHBondContact O-N 2.9Å; Q253-K257 VanDerWaalsContact O-N 3.14Å; E254-K257 PolarHBondContact O-N 3.03Å; R255-K257 VanDerWaalsContact C-N 3.32Å; K257-P259 WeakPolarHBondContact O-CD 3.43Å
258	N	89.2	Confident	91.8	Very high	126 Å²	126	96.2 Å²	96.2	67%	0.674	51%	0.505	S	S	*	.	S	Bend	trans	-119.5	78.8	-179	-65.5	-46.5	0	0	0	110	E254 R255	E254-N258 PolarHBondContact O-N 2.68Å; R255-N258 CarbonylContact O-C 3.03Å
259	P	84.7	Confident	91.8	Very high	107 Å²	107	99 Å²	99	70%	0.695	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-60.4	143.9	178.2	25.3	-33	0	0	0	110.3	K257	K257-P259 WeakPolarHBondContact O-CD 3.43Å
260	K	85.5	Confident	91.5	Very high	171 Å²	171	96.4 Å²	96.4	74%	0.743	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-67.6	150	175.8	-71.6	-175.8	177.3	-176	0	110.3
261	P	86.4	Confident	91.2	Very high	110 Å²	110	100.5 Å²	100.5	71%	0.714	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-56	153.9	169.5	24.7	-33.7	0	0	0	110.8	R263	P261-R263 PolarHBondContact O-N 3.04Å
262	P	89.4	Confident	90.8	Very high	130 Å²	130	102.2 Å²	102.2	84%	0.844	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-51.6	135.3	176.2	-25.7	34.1	0	0	0	111.4
263	R	92.5	Very high	90.4	Very high	93 Å²	93	102.8 Å²	102.8	35%	0.351	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-66.5	143.2	175.5	-177.3	-175.7	173.5	114.4	2.3	109.6	D119 L122 P261 P265 L267 P268	D119-R263 IonicContact OD1-CZ 3.69Å; D119-R263 IonicContact OD1-NE 2.98Å; D119-R263 IonicContact OD1-NH1 3.64Å; D119-R263 PolarHBondContact OD1-NH1 2.75Å; D119-R263 IonicContact OD1-NH2 3.78Å; D119-R263 PolarHBondContact OD1-NH2 3.46Å; D119-R263 IonicContact OD2-CZ 2.69Å; D119-R263 IonicContact OD2-NH1 2.62Å; L122-R263 VanDerWaalsContact CD1-NH2 3.3Å; P261-R263 PolarHBondContact O-N 3.04Å; R263-P265 WeakPolarHBondContact O-CD 3.19Å; R263-L267 HydrophobicContact CG-CD1 4.36Å; R263-P268 PolarHBondContact NH2-O 2.85Å
264	D	93.4	Very high	90.3	Very high	45 Å²	45	97.6 Å²	97.6	24%	0.241	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-57.7	119.2	173.9	176.4	-8.4	0	0	0	110.3	R266 L267	D264-R266 PolarHBondContact O-N 3.1Å; D264-R266 VanDerWaalsContact OD1-CB 3.26Å; D264-R266 WeakPolarHBondContact OD1-CB 3.39Å; D264-R266 VanDerWaalsContact OD1-CG 3.26Å; D264-R266 WeakPolarHBondContact OD1-CG 3.14Å; D264-R266 PolarHBondContact OD1-N 2.99Å; D264-R266 IonicContact OD1-NE 3.06Å; D264-R266 PolarHBondContact OD1-NE 2.82Å; D264-R266 IonicContact OD2-CZ 3.4Å; D264-R266 VanDerWaalsContact OD2-CZ 3.24Å; D264-R266 IonicContact OD2-NE 2.87Å; D264-R266 PolarHBondContact OD2-NE 3.3Å; D264-R266 IonicContact OD2-NH2 3.01Å; D264-R266 PolarHBondContact OD2-NH2 2.92Å; D264-L267 HydrophobicContact CB-CD1 4.04Å; D264-L267 HydrophobicContact CB-CG 3.89Å; D264-L267 WeakPolarHBondContact O-CB 3.5Å; D264-L267 WeakPolarHBondContact O-CG 3.44Å; D264-L267 PolarHBondContact O-N 3.23Å; D264-L267 VanDerWaalsContact O-N 3.17Å
265	P	95.7	Very high	90.6	Very high	126 Å²	126	94.2 Å²	94.2	82%	0.818	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.7	-175.3	28.1	-36.1	0	0	0	113.5	R263 L267	R263-P265 WeakPolarHBondContact O-CD 3.19Å; P265-L267 PolarHBondContact O-N 2.86Å
266	R	96.3	Very high	91	Very high	113 Å²	113	86.9 Å²	86.9	43%	0.426	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26	175.7	-58.5	178	-61.2	152.4	5.7	111.7	V126 D127 K131 D264	V126-R266 HydrophobicContact CG1-CB 4.12Å; D127-R266 IonicContact OD1-CZ 2.78Å; D127-R266 IonicContact OD1-NH1 3.27Å; D127-R266 PolarHBondContact OD1-NH1 3.23Å; D127-R266 IonicContact OD1-NH2 2.67Å; D127-R266 PolarHBondContact OD1-NH2 3.01Å; K131-R266 WeakPolarHBondContact CE-O 3.49Å; K131-R266 PolarHBondContact NZ-O 3.33Å; D264-R266 PolarHBondContact O-N 3.1Å; D264-R266 VanDerWaalsContact OD1-CB 3.26Å; D264-R266 WeakPolarHBondContact OD1-CB 3.39Å; D264-R266 VanDerWaalsContact OD1-CG 3.26Å; D264-R266 WeakPolarHBondContact OD1-CG 3.14Å; D264-R266 PolarHBondContact OD1-N 2.99Å; D264-R266 IonicContact OD1-NE 3.06Å; D264-R266 PolarHBondContact OD1-NE 2.82Å; D264-R266 IonicContact OD2-CZ 3.4Å; D264-R266 VanDerWaalsContact OD2-CZ 3.24Å; D264-R266 IonicContact OD2-NE 2.87Å; D264-R266 PolarHBondContact OD2-NE 3.3Å; D264-R266 IonicContact OD2-NH2 3.01Å; D264-R266 PolarHBondContact OD2-NH2 2.92Å
267	L	97	Very high	91.4	Very high	10 Å²	10	83.9 Å²	83.9	5%	0.052	46%	0.456	C	S	.	.	S	Bend	trans	-75.1	136	-171.6	-54.2	-174.9	0	0	0	111.5	D119 L122 V126 R263 D264 P265	D119-L267 HydrophobicContact CB-CD1 4.08Å; L122-L267 HydrophobicContact CB-CD1 4.4Å; L122-L267 HydrophobicContact CB-CD2 4.08Å; V126-L267 HydrophobicContact CB-CD2 4.32Å; V126-L267 HydrophobicContact CG2-CD2 3.94Å; R263-L267 HydrophobicContact CG-CD1 4.36Å; D264-L267 HydrophobicContact CB-CD1 4.04Å; D264-L267 HydrophobicContact CB-CG 3.89Å; D264-L267 WeakPolarHBondContact O-CB 3.5Å; D264-L267 WeakPolarHBondContact O-CG 3.44Å; D264-L267 PolarHBondContact O-N 3.23Å; D264-L267 VanDerWaalsContact O-N 3.17Å; P265-L267 PolarHBondContact O-N 2.86Å
268	P	94.7	Very high	91.8	Very high	29 Å²	29	75.9 Å²	75.9	19%	0.188	42%	0.421	C	S	.	.			trans	-61.8	153.6	168.3	28.6	-33.9	0	0	0	110.2	L122 L134 F136 R263 P270	L122-P268 HydrophobicContact CD1-CG 4.34Å; L122-P268 HydrophobicContact CD2-CG 3.96Å; L134-P268 HydrophobicContact CD1-CG 3.84Å; F136-P268 HydrophobicContact CE2-CB 4.26Å; F136-P268 HydrophobicContact CE2-CG 4.38Å; F136-P268 HydrophobicContact CZ-CB 3.99Å; F136-P268 HydrophobicContact CZ-CG 3.8Å; R263-P268 PolarHBondContact NH2-O 2.85Å; P268-P270 WeakPolarHBondContact O-CD 3.25Å
269	T	93.4	Very high	92.2	Very high	116 Å²	116	76.5 Å²	76.5	71%	0.712	41%	0.414	S	S	*	.			trans	-100.4	107.1	175.3	-61.2	0	0	0	0	109.4
270	P	90.5	Very high	92.8	Very high	31 Å²	31	77.8 Å²	77.8	20%	0.201	41%	0.409	C	S	.	.			trans	-64.4	141.1	176.1	-18.1	31.6	0	0	0	110.8	P117 L122 F136 P268 T274	P117-P270 HydrophobicContact CB-CB 4.46Å; P117-P270 HydrophobicContact CB-CG 3.85Å; P117-P270 HydrophobicContact CG-CB 3.72Å; P117-P270 HydrophobicContact CG-CG 3.61Å; L122-P270 HydrophobicContact CD1-CG 3.96Å; F136-P270 HydrophobicContact CE1-CB 4.31Å; F136-P270 HydrophobicContact CE1-CG 4.19Å; P268-P270 WeakPolarHBondContact O-CD 3.25Å; P270-T274 HydrophobicContact CB-CG2 3.71Å
271	K	87.7	Confident	93.4	Very high	169 Å²	169	69.6 Å²	69.6	74%	0.735	37%	0.373	S	S	*	.			trans	-89.3	137.9	172.2	-62.8	-178	-178	178.8	0	109.4	P139 T274	P139-K271 WeakPolarHBondContact CB-O 3.32Å; P139-K271 HydrophobicContact CG-CB 4.33Å; K271-T274 WeakPolarHBondContact O-CB 3.42Å; K271-T274 WeakPolarHBondContact O-CG2 3.38Å
272	G	84.9	Confident	94	Very high	70 Å²	70	64.4 Å²	64.4	72%	0.722	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-150.4	170.1	0	0	0	0	0	115.5	T274	G272-T274 VanDerWaalsContact C-N 3.28Å; G272-T274 PolarHBondContact O-N 2.89Å
273	Q	82.5	Confident	94.4	Very high	119 Å²	119	59.8 Å²	59.8	56%	0.556	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	54.5	178.7	-65.9	-173.4	-7.8	0	0	112	R143	R143-Q273 PolarHBondContact NH2-O 3.06Å
274	T	92.6	Very high	94.7	Very high	9 Å²	9	57 Å²	57	6%	0.055	30%	0.3	C	S	.	.			trans	-78.9	155.5	179.1	-169	0	0	0	0	112.8	P117 F136 G137 P270 K271 G272	P117-T274 WeakPolarHBondContact CD-O 3.39Å; P117-T274 HydrophobicContact CG-CG2 3.91Å; F136-T274 HydrophobicContact CD1-CG2 4.11Å; G137-T274 PolarHBondContact N-OG1 3.25Å; G137-T274 PolarHBondContact O-OG1 3.06Å; P270-T274 HydrophobicContact CB-CG2 3.71Å; K271-T274 WeakPolarHBondContact O-CB 3.42Å; K271-T274 WeakPolarHBondContact O-CG2 3.38Å; G272-T274 VanDerWaalsContact C-N 3.28Å; G272-T274 PolarHBondContact O-N 2.89Å
275	V	96.1	Very high	95	Very high	18 Å²	18	54.9 Å²	54.9	11%	0.109	29%	0.289	C	S	.	.			trans	-103.9	167.5	158.3	-66.8	0	0	0	0	110.2	F115 G137 F389 L410 F411	F115-V275 CarbonylContact O-C 3.49Å; F115-V275 WeakPolarHBondContact O-CA 3.4Å; G137-V275 PolarHBondContact N-O 2.88Å; V275-F389 HydrophobicContact CB-CE2 4.47Å; V275-F389 HydrophobicContact CG1-CD2 4.47Å; V275-F389 HydrophobicContact CG1-CE2 3.78Å; V275-F389 HydrophobicContact CG2-CD2 4.23Å; V275-F389 HydrophobicContact CG2-CE2 3.94Å; V275-L410 HydrophobicContact CG2-CD2 4.31Å; V275-F411 HydrophobicContact CG2-CE1 4.48Å; V275-F411 HydrophobicContact CG2-CZ 3.83Å
276	A	98.1	Very high	95.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.2	176.7	0	0	0	0	0	111.5	S114 F115 P117 V135 F136	S114-A276 WeakPolarHBondContact CA-O 3.45Å; S114-A276 WeakPolarHBondContact CB-O 3.32Å; F115-A276 WeakPolarHBondContact CD1-O 3.42Å; F115-A276 HydrophobicContact CD2-CB 4.11Å; F115-A276 HydrophobicContact CE1-CB 4.39Å; F115-A276 HydrophobicContact CE2-CB 3.57Å; F115-A276 HydrophobicContact CZ-CB 3.73Å; F115-A276 PolarHBondContact N-O 3.22Å; F115-A276 PolarHBondContact O-N 2.83Å; P117-A276 HydrophobicContact CB-CB 4.09Å; P117-A276 HydrophobicContact CG-CB 4.36Å; V135-A276 CarbonylContact O-C 3.52Å; V135-A276 VanDerWaalsContact O-CA 3.24Å; V135-A276 WeakPolarHBondContact O-CA 3.28Å; F136-A276 HydrophobicContact CD1-CB 3.98Å; F136-A276 HydrophobicContact CE1-CB 4.16Å
277	S	98.1	Very high	95.2	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-169.1	171.4	-171.2	0	0	0	0	107.9	V135 R414	V135-S277 PolarHBondContact N-O 2.78Å; V135-S277 PolarHBondContact O-N 2.87Å; S277-R414 PolarHBondContact OG-NH2 3.42Å
278	F	98.5	Very high	95.3	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	162.2	171.8	-55.9	-88.2	0	0	0	111.4	F115 A125 L130 D133 L134 K280 G281 L282 M284 L285 R414	F115-F278 HydrophobicContact CE1-CD2 4.12Å; F115-F278 AromaticContact CE1-CE2 3.48Å; F115-F278 HydrophobicContact CE1-CE2 3.48Å; F115-F278 VanDerWaalsContact CE1-CE2 3.48Å; F115-F278 AromaticContact CE1-CZ 3.94Å; F115-F278 HydrophobicContact CE1-CZ 3.94Å; F115-F278 AromaticContact CZ-CE2 3.89Å; F115-F278 HydrophobicContact CZ-CE2 3.89Å; F115-F278 AromaticContact CZ-CZ 3.85Å; F115-F278 HydrophobicContact CZ-CZ 3.85Å; A125-F278 HydrophobicContact CB-CE1 3.98Å; A125-F278 HydrophobicContact CB-CZ 4.04Å; L130-F278 HydrophobicContact CB-CD1 4.05Å; L130-F278 HydrophobicContact CB-CE1 3.72Å; L130-F278 HydrophobicContact CD1-CD1 4.2Å; L130-F278 HydrophobicContact CD1-CE1 3.87Å; L130-F278 HydrophobicContact CD1-CZ 4.21Å; L130-F278 HydrophobicContact CG-CE1 4.45Å; D133-F278 HydrophobicContact CB-CD1 4.42Å; D133-F278 CarbonylContact O-C 3.52Å; D133-F278 WeakPolarHBondContact O-CA 3.34Å; L134-F278 HydrophobicContact CD2-CD1 4.02Å; L134-F278 HydrophobicContact CD2-CE1 3.48Å; L134-F278 VanDerWaalsContact CD2-CE1 3.48Å; L134-F278 HydrophobicContact CD2-CZ 4.01Å; L134-F278 HydrophobicContact CG-CD1 4.38Å; L134-F278 HydrophobicContact CG-CE1 4.02Å; F278-K280 VanDerWaalsContact C-N 3.3Å; F278-K280 PolarHBondContact O-N 2.98Å; F278-G281 WeakPolarHBondContact CB-O 3.27Å; F278-G281 PolarHBondContact O-N 2.8Å; F278-L282 HydrophobicContact CD2-CD2 4.1Å; F278-L282 HydrophobicContact CE2-CD2 4.36Å; F278-M284 HydrophobicContact CB-CB 4Å; F278-M284 HydrophobicContact CB-CG 4.15Å; F278-M284 HydrophobicContact CB-SD 3.59Å; F278-M284 VanDerWaalsContact CB-SD 3.59Å; F278-M284 HydrophobicContact CD2-CB 4.49Å; F278-M284 HydrophobicContact CG-CB 4.22Å; F278-L285 HydrophobicContact CD2-CB 4.42Å; F278-L285 HydrophobicContact CE2-CB 3.66Å; F278-L285 HydrophobicContact CE2-CD2 4.26Å; F278-L285 HydrophobicContact CE2-CG 4.46Å; F278-L285 HydrophobicContact CZ-CB 3.99Å; F278-L285 HydrophobicContact CZ-CD1 4.33Å; F278-L285 HydrophobicContact CZ-CD2 4.31Å; F278-L285 HydrophobicContact CZ-CG 4.45Å; F278-R414 PolarHBondContact O-NH2 3.21Å
279	R	97.7	Very high	95.5	Very high	139 Å²	139	45.9 Å²	45.9	53%	0.525	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-49.4	-177.2	-171.8	-177	-58.7	-83.8	-5.3	112.8	L107 D132 D133 M284 R414	L107-R279 WeakPolarHBondContact CD2-O 3.49Å; D132-R279 PolarHBondContact O-NH2 3.14Å; D133-R279 HydrophobicContact CB-CB 4.44Å; D133-R279 PolarHBondContact O-N 3.17Å; D133-R279 IonicContact OD1-NE 3.64Å; D133-R279 PolarHBondContact OD1-NE 2.82Å; D133-R279 VanDerWaalsContact OD1-NE 3.1Å; R279-M284 HydrophobicContact CB-SD 4.29Å; R279-R414 PolarHBondContact O-NH1 2.94Å
280	K	97.6	Very high	95.8	Very high	133 Å²	133	41.6 Å²	41.6	58%	0.578	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	30.5	176.4	-59.7	-169	172.6	-169.1	0	113.6	F278 M284	F278-K280 VanDerWaalsContact C-N 3.3Å; F278-K280 PolarHBondContact O-N 2.98Å; K280-M284 HydrophobicContact CB-CG 3.9Å; K280-M284 HydrophobicContact CB-SD 3.65Å; K280-M284 HydrophobicContact CG-SD 4.29Å; K280-M284 PolarHBondContact N-SD 3.1Å
281	G	98.2	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.			trans	80.8	177.6	176.6	0	0	0	0	0	114.5	E109 F278 T283 M284	E109-G281 WeakPolarHBondContact OE1-CA 3.37Å; F278-G281 WeakPolarHBondContact CB-O 3.27Å; F278-G281 PolarHBondContact O-N 2.8Å; G281-T283 VanDerWaalsContact C-N 3.25Å; G281-T283 PolarHBondContact O-N 2.82Å; G281-M284 WeakPolarHBondContact O-CG 3.45Å; G281-M284 PolarHBondContact O-N 2.9Å
282	L	98.6	Very high	96.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.1	-169.5	-66.5	-167.9	0	0	0	113.9	I96 T98 E109 P112 F115 F278 M284 L285 P286 L512	I96-L282 HydrophobicContact CG2-CB 3.61Å; T98-L282 PolarHBondContact OG1-N 2.78Å; T98-L282 VanDerWaalsContact OG1-N 3.16Å; E109-L282 PolarHBondContact OE1-N 3.35Å; P112-L282 HydrophobicContact CB-CD1 4.14Å; P112-L282 HydrophobicContact CG-CD1 4.09Å; P112-L282 VanDerWaalsContact O-CD1 3.31Å; P112-L282 WeakPolarHBondContact O-CD1 3.35Å; F115-L282 HydrophobicContact CD1-CD2 3.66Å; F115-L282 HydrophobicContact CE1-CD2 3.72Å; F278-L282 HydrophobicContact CD2-CD2 4.1Å; F278-L282 HydrophobicContact CE2-CD2 4.36Å; L282-M284 PolarHBondContact O-N 2.7Å; L282-M284 VanDerWaalsContact O-N 3.14Å; L282-L285 PolarHBondContact O-N 3.27Å; L282-L285 VanDerWaalsContact O-N 3.17Å; L282-P286 VanDerWaalsContact O-CD 3.23Å; L282-P286 WeakPolarHBondContact O-CD 3.12Å; L282-L512 HydrophobicContact CD1-CD1 4.01Å
283	T	98.5	Very high	97.2	Very high	32 Å²	32	41 Å²	41	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.8	175.7	-70	0	0	0	0	112.7	T98 G281 L285 P286 D287	T98-T283 WeakPolarHBondContact CB-OG1 3.23Å; T98-T283 PolarHBondContact N-OG1 2.89Å; T98-T283 PolarHBondContact OG1-N 3.33Å; T98-T283 PolarHBondContact OG1-OG1 2.8Å; G281-T283 VanDerWaalsContact C-N 3.25Å; G281-T283 PolarHBondContact O-N 2.82Å; T283-L285 PolarHBondContact O-N 3.34Å; T283-L285 VanDerWaalsContact O-N 3.15Å; T283-P286 WeakPolarHBondContact O-CD 3.35Å; T283-P286 VanDerWaalsContact O-CG 3.27Å; T283-P286 WeakPolarHBondContact O-CG 3.39Å; T283-D287 VanDerWaalsContact CG2-OD2 3.27Å; T283-D287 WeakPolarHBondContact CG2-OD2 3.17Å; T283-D287 WeakPolarHBondContact O-CB 3.36Å; T283-D287 VanDerWaalsContact O-CG 3.3Å; T283-D287 PolarHBondContact O-N 2.8Å; T283-D287 VanDerWaalsContact O-N 3.13Å
284	M	98.7	Very high	97.8	Very high	35 Å²	35	37.2 Å²	37.2	17%	0.172	19%	0.193	C	C	.	.	H	α-helix	trans	-54.6	-36.8	176	-68	-170.7	75.2	0	0	113.1	L130 D133 F278 R279 K280 G281 L282 A288	L130-M284 HydrophobicContact CD1-CB 4.35Å; L130-M284 WeakPolarHBondContact CD1-O 3.42Å; L130-M284 HydrophobicContact CD2-CB 4.41Å; L130-M284 HydrophobicContact CD2-CE 4Å; D133-M284 HydrophobicContact CB-CE 3.84Å; D133-M284 HydrophobicContact CB-SD 4.36Å; F278-M284 HydrophobicContact CB-CB 4Å; F278-M284 HydrophobicContact CB-CG 4.15Å; F278-M284 HydrophobicContact CB-SD 3.59Å; F278-M284 VanDerWaalsContact CB-SD 3.59Å; F278-M284 HydrophobicContact CD2-CB 4.49Å; F278-M284 HydrophobicContact CG-CB 4.22Å; R279-M284 HydrophobicContact CB-SD 4.29Å; K280-M284 HydrophobicContact CB-CG 3.9Å; K280-M284 HydrophobicContact CB-SD 3.65Å; K280-M284 HydrophobicContact CG-SD 4.29Å; K280-M284 PolarHBondContact N-SD 3.1Å; G281-M284 WeakPolarHBondContact O-CG 3.45Å; G281-M284 PolarHBondContact O-N 2.9Å; L282-M284 PolarHBondContact O-N 2.7Å; L282-M284 VanDerWaalsContact O-N 3.14Å; M284-A288 VanDerWaalsContact O-CB 3.27Å; M284-A288 WeakPolarHBondContact O-CB 3.46Å; M284-A288 PolarHBondContact O-N 3.07Å
285	L	98.8	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-59.1	-178.2	-178.9	60	0	0	0	113.4	I65 M124 L130 F278 L282 T283 D287 A288 I289 L512	I65-L285 HydrophobicContact CD1-CD2 3.68Å; I65-L285 HydrophobicContact CD1-CG 3.85Å; M124-L285 HydrophobicContact CG-CD1 4.37Å; L130-L285 HydrophobicContact CD1-CB 4.21Å; L130-L285 HydrophobicContact CD1-CD1 4Å; F278-L285 HydrophobicContact CD2-CB 4.42Å; F278-L285 HydrophobicContact CE2-CB 3.66Å; F278-L285 HydrophobicContact CE2-CD2 4.26Å; F278-L285 HydrophobicContact CE2-CG 4.46Å; F278-L285 HydrophobicContact CZ-CB 3.99Å; F278-L285 HydrophobicContact CZ-CD1 4.33Å; F278-L285 HydrophobicContact CZ-CD2 4.31Å; F278-L285 HydrophobicContact CZ-CG 4.45Å; L282-L285 PolarHBondContact O-N 3.27Å; L282-L285 VanDerWaalsContact O-N 3.17Å; T283-L285 PolarHBondContact O-N 3.34Å; T283-L285 VanDerWaalsContact O-N 3.15Å; L285-D287 PolarHBondContact O-N 3.42Å; L285-A288 PolarHBondContact O-N 3.41Å; L285-I289 HydrophobicContact CD1-CD1 3.95Å; L285-I289 HydrophobicContact CD1-CG1 4.31Å; L285-I289 HydrophobicContact CG-CD1 4.02Å; L285-I289 VanDerWaalsContact O-CG1 3.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.34Å; L285-I289 PolarHBondContact O-N 3.41Å; L285-I289 VanDerWaalsContact O-N 3.07Å; L285-L512 HydrophobicContact CD2-CD2 4.5Å
286	P	98.8	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-32.1	176.7	24.4	-34	0	0	0	113	L68 G93 I96 L282 T283 T290	L68-P286 HydrophobicContact CD1-CB 3.45Å; L68-P286 VanDerWaalsContact CD1-CB 3.45Å; G93-P286 VanDerWaalsContact CA-CB 3.46Å; I96-P286 HydrophobicContact CB-CG 4.41Å; I96-P286 HydrophobicContact CD1-CG 4.31Å; I96-P286 HydrophobicContact CG2-CG 4.24Å; L282-P286 VanDerWaalsContact O-CD 3.23Å; L282-P286 WeakPolarHBondContact O-CD 3.12Å; T283-P286 WeakPolarHBondContact O-CD 3.35Å; T283-P286 VanDerWaalsContact O-CG 3.27Å; T283-P286 WeakPolarHBondContact O-CG 3.39Å; P286-T290 VanDerWaalsContact O-CB 3.28Å; P286-T290 WeakPolarHBondContact O-CB 3.29Å; P286-T290 PolarHBondContact O-N 3.32Å; P286-T290 PolarHBondContact O-OG1 2.88Å
287	D	98.7	Very high	98.1	Very high	72 Å²	72	44.7 Å²	44.7	39%	0.385	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-47.7	176.4	-73.5	-1	0	0	0	111.4	T283 L285 I289 T290 S291	T283-D287 VanDerWaalsContact CG2-OD2 3.27Å; T283-D287 WeakPolarHBondContact CG2-OD2 3.17Å; T283-D287 WeakPolarHBondContact O-CB 3.36Å; T283-D287 VanDerWaalsContact O-CG 3.3Å; T283-D287 PolarHBondContact O-N 2.8Å; T283-D287 VanDerWaalsContact O-N 3.13Å; L285-D287 PolarHBondContact O-N 3.42Å; D287-I289 VanDerWaalsContact C-N 3.33Å; D287-I289 PolarHBondContact O-N 2.86Å; D287-T290 WeakPolarHBondContact O-CB 3.33Å; D287-T290 PolarHBondContact O-N 3.12Å; D287-T290 VanDerWaalsContact O-N 3.13Å; D287-S291 PolarHBondContact O-N 3.36Å; D287-S291 PolarHBondContact O-OG 3.04Å; D287-S291 VanDerWaalsContact O-OG 3.13Å
288	A	98.8	Very high	98.1	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-40	177.9	0	0	0	0	0	112.4	L130 M284 L285 R292	L130-A288 HydrophobicContact CD1-CB 3.73Å; L130-A288 HydrophobicContact CD2-CB 4.06Å; L130-A288 HydrophobicContact CG-CB 3.87Å; M284-A288 VanDerWaalsContact O-CB 3.27Å; M284-A288 WeakPolarHBondContact O-CB 3.46Å; M284-A288 PolarHBondContact O-N 3.07Å; L285-A288 PolarHBondContact O-N 3.41Å; A288-R292 WeakPolarHBondContact O-CG 3.39Å; A288-R292 PolarHBondContact O-N 2.79Å; A288-R292 VanDerWaalsContact O-N 3.11Å
289	I	98.8	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-45.9	173.9	-61.9	164.2	0	0	0	110	I65 L68 Q72 M124 S128 L285 D287 S291 R292 L293	I65-I289 HydrophobicContact CD1-CD1 4.1Å; L68-I289 HydrophobicContact CB-CB 4.36Å; L68-I289 HydrophobicContact CB-CD1 4.28Å; L68-I289 HydrophobicContact CB-CG2 3.77Å; L68-I289 HydrophobicContact CD2-CG2 4.35Å; L68-I289 WeakPolarHBondContact O-CG2 3.47Å; Q72-I289 HydrophobicContact CB-CG2 3.98Å; Q72-I289 VanDerWaalsContact OE1-CG1 3.29Å; Q72-I289 VanDerWaalsContact OE1-CG2 3.32Å; M124-I289 HydrophobicContact CG-CD1 4.24Å; M124-I289 HydrophobicContact SD-CD1 4.33Å; S128-I289 VanDerWaalsContact OG-CG1 3.26Å; S128-I289 WeakPolarHBondContact OG-CG1 3.43Å; L285-I289 HydrophobicContact CD1-CD1 3.95Å; L285-I289 HydrophobicContact CD1-CG1 4.31Å; L285-I289 HydrophobicContact CG-CD1 4.02Å; L285-I289 VanDerWaalsContact O-CG1 3.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.34Å; L285-I289 PolarHBondContact O-N 3.41Å; L285-I289 VanDerWaalsContact O-N 3.07Å; D287-I289 VanDerWaalsContact C-N 3.33Å; D287-I289 PolarHBondContact O-N 2.86Å; I289-S291 PolarHBondContact O-N 3.37Å; I289-R292 PolarHBondContact O-N 3.41Å; I289-L293 HydrophobicContact CG2-CD1 3.74Å; I289-L293 HydrophobicContact CG2-CG 4.26Å; I289-L293 WeakPolarHBondContact O-CG 3.23Å; I289-L293 PolarHBondContact O-N 3.17Å
290	T	98.6	Very high	98.2	Very high	25 Å²	25	45.4 Å²	45.4	15%	0.153	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-45.3	179.2	-60	0	0	0	0	111.3	P92 P286 D287 R292 L293 G294 V297	P92-T290 HydrophobicContact CB-CG2 4.49Å; P92-T290 WeakPolarHBondContact CB-OG1 3.28Å; P92-T290 HydrophobicContact CG-CG2 4.26Å; P286-T290 VanDerWaalsContact O-CB 3.28Å; P286-T290 WeakPolarHBondContact O-CB 3.29Å; P286-T290 PolarHBondContact O-N 3.32Å; P286-T290 PolarHBondContact O-OG1 2.88Å; D287-T290 WeakPolarHBondContact O-CB 3.33Å; D287-T290 PolarHBondContact O-N 3.12Å; D287-T290 VanDerWaalsContact O-N 3.13Å; T290-R292 VanDerWaalsContact C-N 3.31Å; T290-R292 PolarHBondContact O-N 3Å; T290-L293 PolarHBondContact O-N 3.22Å; T290-G294 PolarHBondContact O-N 2.87Å; T290-V297 HydrophobicContact CG2-CB 4.11Å; T290-V297 HydrophobicContact CG2-CG1 4.07Å; T290-V297 HydrophobicContact CG2-CG2 4.13Å
291	S	98.2	Very high	98.2	Very high	98 Å²	98	40.2 Å²	40.2	69%	0.685	23%	0.228	S	C	*	.	H	α-helix	trans	-60.6	-38.7	176.5	-61.1	0	0	0	0	112.6	D287 I289 G294	D287-S291 PolarHBondContact O-N 3.36Å; D287-S291 PolarHBondContact O-OG 3.04Å; D287-S291 VanDerWaalsContact O-OG 3.13Å; I289-S291 PolarHBondContact O-N 3.37Å; S291-G294 PolarHBondContact O-N 3.48Å
292	R	97.1	Very high	98.2	Very high	146 Å²	146	45.4 Å²	45.4	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-70.8	-38.5	177.1	-77.1	176.2	171.5	-110.4	5.6	113.2	D127 S128 G129 A288 I289 T290 G294	D127-R292 PolarHBondContact O-NE 3.4Å; D127-R292 PolarHBondContact O-NH1 3.32Å; D127-R292 PolarHBondContact O-NH2 3.47Å; S128-R292 VanDerWaalsContact C-NH2 3.31Å; S128-R292 VanDerWaalsContact CA-NE 3.33Å; S128-R292 PolarHBondContact O-NE 3.17Å; S128-R292 PolarHBondContact O-NH2 3.46Å; G129-R292 VanDerWaalsContact N-NH2 3.2Å; A288-R292 WeakPolarHBondContact O-CG 3.39Å; A288-R292 PolarHBondContact O-N 2.79Å; A288-R292 VanDerWaalsContact O-N 3.11Å; I289-R292 PolarHBondContact O-N 3.41Å; T290-R292 VanDerWaalsContact C-N 3.31Å; T290-R292 PolarHBondContact O-N 3Å; R292-G294 VanDerWaalsContact C-N 3.31Å
293	L	97.7	Very high	98.2	Very high	15 Å²	15	46 Å²	46	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-72.8	-26.9	176.1	-69.6	174.4	0	0	0	111.8	L68 A71 V85 I289 T290 S295 K296 V297	L68-L293 HydrophobicContact CD2-CD1 4.34Å; A71-L293 HydrophobicContact CB-CD1 3.8Å; A71-L293 HydrophobicContact CB-CD2 4.32Å; V85-L293 HydrophobicContact CG2-CD1 4.13Å; I289-L293 HydrophobicContact CG2-CD1 3.74Å; I289-L293 HydrophobicContact CG2-CG 4.26Å; I289-L293 WeakPolarHBondContact O-CG 3.23Å; I289-L293 PolarHBondContact O-N 3.17Å; T290-L293 PolarHBondContact O-N 3.22Å; L293-S295 PolarHBondContact O-N 3.01Å; L293-K296 HydrophobicContact CB-CB 4.37Å; L293-K296 VanDerWaalsContact O-CB 3.3Å; L293-K296 WeakPolarHBondContact O-CB 3.36Å; L293-K296 WeakPolarHBondContact O-CG 3.35Å; L293-K296 PolarHBondContact O-N 3.3Å; L293-V297 HydrophobicContact CB-CG2 3.63Å; L293-V297 HydrophobicContact CD1-CG2 3.93Å; L293-V297 HydrophobicContact CG-CG2 4.46Å
294	G	96.6	Very high	98.2	Very high	38 Å²	38	47.2 Å²	47.2	39%	0.392	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	59.8	-129.3	174.2	0	0	0	0	0	112.3	T290 S291 R292 K296 V297	T290-G294 PolarHBondContact O-N 2.87Å; S291-G294 PolarHBondContact O-N 3.48Å; R292-G294 VanDerWaalsContact C-N 3.31Å; G294-K296 PolarHBondContact O-N 2.86Å; G294-V297 PolarHBondContact O-N 2.79Å; G294-V297 VanDerWaalsContact O-N 3.1Å
295	S	96.2	Very high	98.1	Very high	98 Å²	98	47.7 Å²	47.7	69%	0.685	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.1	-9.6	-176.5	61.2	0	0	0	0	114.8	L293 V297 K298	L293-S295 PolarHBondContact O-N 3.01Å; S295-V297 VanDerWaalsContact C-N 3.26Å; S295-K298 VanDerWaalsContact O-CE 3.23Å; S295-K298 WeakPolarHBondContact O-CE 3.31Å; S295-K298 PolarHBondContact O-NZ 3.4Å
296	K	97.4	Very high	98.1	Very high	70 Å²	70	47.9 Å²	47.9	30%	0.304	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-69.9	-20.5	173.1	-63.6	179.1	-173.2	-178.3	0	113.1	G81 V83 L84 V85 L293 G294	G81-K296 VanDerWaalsContact O-CE 3.27Å; G81-K296 WeakPolarHBondContact O-CE 3.45Å; G81-K296 PolarHBondContact O-NZ 3.23Å; V83-K296 WeakPolarHBondContact O-CB 3.39Å; V83-K296 WeakPolarHBondContact O-CD 3.31Å; V83-K296 WeakPolarHBondContact O-CG 3.27Å; L84-K296 WeakPolarHBondContact CD1-O 3.4Å; V85-K296 PolarHBondContact N-O 3.17Å; L293-K296 HydrophobicContact CB-CB 4.37Å; L293-K296 VanDerWaalsContact O-CB 3.3Å; L293-K296 WeakPolarHBondContact O-CB 3.36Å; L293-K296 WeakPolarHBondContact O-CG 3.35Å; L293-K296 PolarHBondContact O-N 3.3Å; G294-K296 PolarHBondContact O-N 2.86Å
297	V	98.6	Very high	98	Very high	16 Å²	16	51.4 Å²	51.4	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.2	175.3	-173.4	0	0	0	0	109.3	L68 V85 T290 L293 G294 S295 L299	L68-V297 HydrophobicContact CD2-CG2 4.31Å; V85-V297 HydrophobicContact CB-CG1 4.44Å; V85-V297 HydrophobicContact CB-CG2 4.23Å; V85-V297 HydrophobicContact CG2-CG2 4.45Å; V85-V297 CarbonylContact O-C 3.45Å; V85-V297 WeakPolarHBondContact O-CA 3.24Å; T290-V297 HydrophobicContact CG2-CB 4.11Å; T290-V297 HydrophobicContact CG2-CG1 4.07Å; T290-V297 HydrophobicContact CG2-CG2 4.13Å; L293-V297 HydrophobicContact CB-CG2 3.63Å; L293-V297 HydrophobicContact CD1-CG2 3.93Å; L293-V297 HydrophobicContact CG-CG2 4.46Å; G294-V297 PolarHBondContact O-N 2.79Å; G294-V297 VanDerWaalsContact O-N 3.1Å; S295-V297 VanDerWaalsContact C-N 3.26Å; V297-L299 HydrophobicContact CG1-CD2 3.99Å; V297-L299 HydrophobicContact CG1-CG 4.46Å
298	K	98.4	Very high	97.8	Very high	61 Å²	61	52.7 Å²	52.7	27%	0.265	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108.3	177.6	-56.6	-56.8	-171.5	-165.3	0	109.9	L84 V85 T86 E87 S295 W301	L84-K298 HydrophobicContact CD1-CD 4.46Å; L84-K298 HydrophobicContact CD1-CG 3.72Å; L84-K298 HydrophobicContact CG-CG 4.31Å; V85-K298 PolarHBondContact O-N 2.86Å; T86-K298 WeakPolarHBondContact CA-O 3.41Å; T86-K298 HydrophobicContact CG2-CB 4.44Å; E87-K298 PolarHBondContact N-O 3.28Å; S295-K298 VanDerWaalsContact O-CE 3.23Å; S295-K298 WeakPolarHBondContact O-CE 3.31Å; S295-K298 PolarHBondContact O-NZ 3.4Å; K298-W301 HydrophobicContact CB-CB 4.14Å; K298-W301 HydrophobicContact CB-CD2 3.5Å; K298-W301 VanDerWaalsContact CB-CD2 3.5Å; K298-W301 HydrophobicContact CB-CE3 4.03Å; K298-W301 HydrophobicContact CB-CG 3.54Å; K298-W301 HydrophobicContact CB-CZ2 4.42Å; K298-W301 HydrophobicContact CD-CZ2 4.13Å; K298-W301 HydrophobicContact CG-CD2 3.98Å; K298-W301 HydrophobicContact CG-CE3 4.18Å; K298-W301 HydrophobicContact CG-CH2 4.31Å; K298-W301 HydrophobicContact CG-CZ2 4.14Å; K298-W301 HydrophobicContact CG-CZ3 4.34Å
299	L	98.6	Very high	97.3	Very high	55 Å²	55	52.8 Å²	52.8	29%	0.288	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	155.8	176.8	-57	178.4	0	0	0	110.2	E87 P92 V297 W301	E87-L299 HydrophobicContact CB-CD2 3.95Å; E87-L299 HydrophobicContact CG-CD2 4.13Å; E87-L299 CarbonylContact O-C 3.57Å; P92-L299 HydrophobicContact CB-CD2 4.34Å; V297-L299 HydrophobicContact CG1-CD2 3.99Å; V297-L299 HydrophobicContact CG1-CG 4.46Å; L299-W301 PolarHBondContact O-N 2.86Å
300	S	98.5	Very high	96.4	Very high	40 Å²	40	60.8 Å²	60.8	28%	0.28	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	24.2	-172.8	-53.8	0	0	0	0	113.8	E87 R89 A90 P321	E87-S300 CarbonylContact O-C 3.22Å; E87-S300 PolarHBondContact O-N 2.73Å; R89-S300 PolarHBondContact O-N 3.36Å; A90-S300 WeakPolarHBondContact CA-OG 3.23Å; S300-P321 WeakPolarHBondContact O-CD 3.2Å
301	W	98.5	Very high	95.2	Very high	25 Å²	25	66.1 Å²	66.1	10%	0.095	36%	0.362	C	S	.	.			trans	-103.2	99.4	176.4	-79.9	41.1	0	0	0	109.2	T86 E87 A88 K298 L299 Y318 T320 V325 V327	T86-W301 HydrophobicContact CG2-CE3 4.22Å; E87-W301 CarbonylContact C-O 3.57Å; E87-W301 VanDerWaalsContact C-O 3.32Å; E87-W301 PolarHBondContact O-N 2.91Å; A88-W301 PolarHBondContact N-O 2.88Å; K298-W301 HydrophobicContact CB-CB 4.14Å; K298-W301 HydrophobicContact CB-CD2 3.5Å; K298-W301 VanDerWaalsContact CB-CD2 3.5Å; K298-W301 HydrophobicContact CB-CE3 4.03Å; K298-W301 HydrophobicContact CB-CG 3.54Å; K298-W301 HydrophobicContact CB-CZ2 4.42Å; K298-W301 HydrophobicContact CD-CZ2 4.13Å; K298-W301 HydrophobicContact CG-CD2 3.98Å; K298-W301 HydrophobicContact CG-CE3 4.18Å; K298-W301 HydrophobicContact CG-CH2 4.31Å; K298-W301 HydrophobicContact CG-CZ2 4.14Å; K298-W301 HydrophobicContact CG-CZ3 4.34Å; L299-W301 PolarHBondContact O-N 2.86Å; W301-Y318 HydrophobicContact CB-CD1 3.97Å; W301-Y318 HydrophobicContact CE3-CD1 4.23Å; W301-Y318 HydrophobicContact CE3-CD2 4.16Å; W301-Y318 AromaticContact CE3-CG 3.9Å; W301-Y318 HydrophobicContact CE3-CG 3.9Å; W301-Y318 HydrophobicContact CZ3-CD2 4.49Å; W301-T320 HydrophobicContact CB-CG2 4.42Å; W301-T320 HydrophobicContact CD2-CG2 3.46Å; W301-T320 VanDerWaalsContact CD2-CG2 3.46Å; W301-T320 HydrophobicContact CE3-CG2 3.97Å; W301-T320 HydrophobicContact CG-CG2 3.65Å; W301-T320 HydrophobicContact CZ2-CG2 4.08Å; W301-T320 HydrophobicContact CZ3-CG2 4.47Å; W301-V325 HydrophobicContact CH2-CB 4.15Å; W301-V325 HydrophobicContact CH2-CG1 3.71Å; W301-V325 HydrophobicContact CH2-CG2 4.26Å; W301-V325 HydrophobicContact CZ2-CG2 4.46Å; W301-V325 HydrophobicContact CZ3-CB 4.22Å; W301-V325 HydrophobicContact CZ3-CG1 3.86Å; W301-V327 HydrophobicContact CZ3-CG2 3.94Å
302	K	98.5	Very high	94.2	Very high	109 Å²	109	67 Å²	67	47%	0.474	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.8	-179.6	-178.1	-173.6	171.7	-160	0	109.8	A88 T304 Y318 E319	A88-K302 HydrophobicContact CB-CB 4.02Å; A88-K302 HydrophobicContact CB-CG 4.21Å; K302-T304 PolarHBondContact O-N 2.89Å; K302-Y318 VanDerWaalsContact O-CA 3.32Å; K302-Y318 WeakPolarHBondContact O-CA 3.36Å; K302-E319 HydrophobicContact CB-CB 4.43Å; K302-E319 PolarHBondContact N-O 3.39Å; K302-E319 IonicContact NZ-OE2 4Å; K302-E319 PolarHBondContact O-N 3.02Å
303	L	98.7	Very high	94	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.068	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.5	172.7	-177.9	62.7	0	0	0	109.4	V61 S305 L316 V317 Y318 M334 I344	V61-L303 HydrophobicContact CB-CD2 4.44Å; V61-L303 HydrophobicContact CG1-CB 4.3Å; V61-L303 HydrophobicContact CG1-CD2 3.78Å; V61-L303 HydrophobicContact CG2-CD2 3.83Å; L303-S305 WeakPolarHBondContact CD1-O 3.46Å; L303-L316 HydrophobicContact CD1-CB 3.74Å; L303-L316 HydrophobicContact CD1-CD2 3.93Å; L303-L316 HydrophobicContact CD1-CG 4.26Å; L303-L316 HydrophobicContact CD2-CD2 4.18Å; L303-V317 WeakPolarHBondContact CD1-O 3.43Å; L303-Y318 HydrophobicContact CB-CD1 4.07Å; L303-Y318 HydrophobicContact CB-CE1 3.65Å; L303-Y318 HydrophobicContact CD1-CD1 4.42Å; L303-Y318 HydrophobicContact CD1-CD2 4.49Å; L303-Y318 HydrophobicContact CD1-CE1 3.96Å; L303-Y318 HydrophobicContact CD1-CE2 4.05Å; L303-Y318 HydrophobicContact CG-CE1 4.37Å; L303-M334 HydrophobicContact CD2-CE 4.12Å; L303-M334 HydrophobicContact CD2-SD 4.38Å; L303-I344 HydrophobicContact CB-CD1 4.25Å; L303-I344 HydrophobicContact CD2-CD1 4.12Å; L303-I344 HydrophobicContact CD2-CG2 3.9Å; L303-I344 HydrophobicContact CG-CD1 4.22Å; L303-I344 HydrophobicContact CG-CG2 4.27Å
304	T	98	Very high	93.9	Very high	58 Å²	58	59.6 Å²	59.6	36%	0.356	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-30.1	178.8	54.7	0	0	0	0	112.8	K302 V317 E319	K302-T304 PolarHBondContact O-N 2.89Å; T304-V317 PolarHBondContact N-O 3.21Å; T304-V317 PolarHBondContact OG1-O 2.92Å; T304-V317 VanDerWaalsContact OG1-O 3.11Å; T304-E319 HydrophobicContact CG2-CB 4.26Å; T304-E319 HydrophobicContact CG2-CG 3.64Å
305	S	97.6	Very high	93.9	Very high	45 Å²	45	58.3 Å²	58.3	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.1	174.2	71	0	0	0	0	112.6	L303 L316 V317	L303-S305 WeakPolarHBondContact CD1-O 3.46Å; S305-L316 WeakPolarHBondContact O-CA 3.2Å; S305-V317 PolarHBondContact O-N 2.91Å; S305-V317 WeakPolarHBondContact OG-CB 3.36Å; S305-V317 WeakPolarHBondContact OG-CG2 3.35Å
306	I	97.9	Very high	94	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.7	171.5	-179.9	171.1	0	0	0	108.1	Y314 A315 L316 V332 I344 L345 L348 L500	I306-Y314 HydrophobicContact CD1-CD1 3.89Å; I306-Y314 HydrophobicContact CD1-CG 4.31Å; I306-Y314 HydrophobicContact CG1-CD1 4.04Å; I306-A315 WeakPolarHBondContact CA-O 3.48Å; I306-L316 HydrophobicContact CD1-CD2 4.42Å; I306-L316 HydrophobicContact CD1-CG 4.44Å; I306-L316 HydrophobicContact CG1-CG 4.3Å; I306-V332 HydrophobicContact CD1-CB 4.27Å; I306-V332 HydrophobicContact CD1-CG1 4.07Å; I306-V332 HydrophobicContact CD1-CG2 4.05Å; I306-I344 HydrophobicContact CG2-CG2 3.68Å; I306-L345 HydrophobicContact CG2-CD2 3.91Å; I306-L348 HydrophobicContact CB-CD1 4.49Å; I306-L348 HydrophobicContact CG1-CD1 4.22Å; I306-L348 HydrophobicContact CG2-CD1 3.75Å; I306-L348 HydrophobicContact CG2-CG 4.43Å; I306-L500 HydrophobicContact CD1-CD1 4.01Å
307	T	96.6	Very high	94.1	Very high	73 Å²	73	52.2 Å²	52.2	45%	0.448	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.2	173.6	58.8	0	0	0	0	109.9	Y314 A315	T307-Y314 CarbonylContact O-C 3.54Å; T307-Y314 VanDerWaalsContact O-CA 3.27Å; T307-Y314 WeakPolarHBondContact O-CA 3.28Å; T307-A315 PolarHBondContact N-O 2.87Å; T307-A315 PolarHBondContact O-N 3.28Å
308	K	94.5	Very high	94.1	Very high	99 Å²	99	51.4 Å²	51.4	43%	0.43	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.7	170.4	-169.9	177.3	178.9	-176.5	0	108.5	G496 Y497	K308-G496 WeakPolarHBondContact CE-O 3.46Å; K308-G496 PolarHBondContact NZ-O 3.38Å; K308-Y497 HydrophobicContact CB-CD1 4.41Å; K308-Y497 HydrophobicContact CB-CE1 4.28Å; K308-Y497 HydrophobicContact CD-CD1 4.16Å; K308-Y497 HydrophobicContact CD-CE1 4.3Å
309	S	89	Confident	94	Very high	21 Å²	21	53.2 Å²	53.2	15%	0.147	28%	0.281	C	S	.	.			trans	-85.2	151.2	176	-59.9	0	0	0	0	110.6	N311 K312 G313 A315 Q328	S309-N311 PolarHBondContact O-N 2.91Å; S309-N311 VanDerWaalsContact O-N 3.14Å; S309-K312 PolarHBondContact O-N 3.32Å; S309-G313 PolarHBondContact N-O 3.4Å; S309-A315 PolarHBondContact OG-N 2.78Å; S309-A315 VanDerWaalsContact OG-N 3.17Å; S309-Q328 PolarHBondContact OG-OE1 3.14Å
310	D	79.7	Confident	94	Very high	167 Å²	167	51.5 Å²	51.5	89%	0.893	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.3	179.1	-60.7	-32.9	0	0	0	112.7	K312	D310-K312 PolarHBondContact O-N 3.32Å; D310-K312 VanDerWaalsContact O-N 3.13Å
311	N	73.4	Confident	93.9	Very high	138 Å²	138	53.9 Å²	53.9	74%	0.738	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	29.1	-177.6	-66.9	-18.7	0	0	0	114.3	S309 G313 Y533	S309-N311 PolarHBondContact O-N 2.91Å; S309-N311 VanDerWaalsContact O-N 3.14Å; N311-G313 VanDerWaalsContact C-N 3.25Å; N311-G313 PolarHBondContact O-N 3.32Å; N311-Y533 PolarHBondContact O-OH 3.11Å
312	K	76.7	Confident	93.7	Very high	115 Å²	115	59.9 Å²	59.9	50%	0.5	32%	0.317	S	S	.	.	S	Bend	trans	65.4	15.7	-179.3	-53.1	174.2	-178.5	163	0	116.1	S309 D310 Y533	S309-K312 PolarHBondContact O-N 3.32Å; D310-K312 PolarHBondContact O-N 3.32Å; D310-K312 VanDerWaalsContact O-N 3.13Å; K312-Y533 HydrophobicContact CB-CE2 3.81Å; K312-Y533 WeakPolarHBondContact O-CE2 3.39Å
313	G	92.7	Very high	93.6	Very high	6 Å²	6	56.4 Å²	56.4	6%	0.062	31%	0.312	C	S	.	.	S	Bend	trans	-112.2	-155.8	173.8	0	0	0	0	0	112.5	S309 N311 A329	S309-G313 PolarHBondContact N-O 3.4Å; N311-G313 VanDerWaalsContact C-N 3.25Å; N311-G313 PolarHBondContact O-N 3.32Å; G313-A329 CarbonylContact C-O 3.58Å; G313-A329 VanDerWaalsContact CA-O 3.26Å; G313-A329 WeakPolarHBondContact CA-O 3.29Å
314	Y	96.7	Very high	93.5	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.8	-179.1	-61	-88.8	0	0	0	111.1	I306 T307 Q328 A329 V332 Y497 D498 L500	I306-Y314 HydrophobicContact CD1-CD1 3.89Å; I306-Y314 HydrophobicContact CD1-CG 4.31Å; I306-Y314 HydrophobicContact CG1-CD1 4.04Å; T307-Y314 CarbonylContact O-C 3.54Å; T307-Y314 VanDerWaalsContact O-CA 3.27Å; T307-Y314 WeakPolarHBondContact O-CA 3.28Å; Y314-Q328 CarbonylContact O-C 3.56Å; Y314-Q328 WeakPolarHBondContact O-CA 3.42Å; Y314-A329 PolarHBondContact N-O 3.31Å; Y314-A329 PolarHBondContact O-N 3.23Å; Y314-V332 HydrophobicContact CD2-CG2 3.94Å; Y314-V332 HydrophobicContact CG-CG2 3.92Å; Y314-Y497 WeakPolarHBondContact OH-CA 3.42Å; Y314-Y497 PolarHBondContact OH-O 3.14Å; Y314-D498 PolarHBondContact OH-O 3.22Å; Y314-L500 HydrophobicContact CE1-CB 4.01Å; Y314-L500 HydrophobicContact CE2-CB 4.35Å; Y314-L500 VanDerWaalsContact OH-CB 3.31Å; Y314-L500 WeakPolarHBondContact OH-CB 3.27Å; Y314-L500 PolarHBondContact OH-N 3.47Å; Y314-L500 VanDerWaalsContact OH-N 3.16Å
315	A	96.7	Very high	93.5	Very high	11 Å²	11	58.4 Å²	58.4	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.1	166.8	0	0	0	0	0	108.4	I306 T307 S309 V327	I306-A315 WeakPolarHBondContact CA-O 3.48Å; T307-A315 PolarHBondContact N-O 2.87Å; T307-A315 PolarHBondContact O-N 3.28Å; S309-A315 PolarHBondContact OG-N 2.78Å; S309-A315 VanDerWaalsContact OG-N 3.17Å; A315-V327 WeakPolarHBondContact CA-O 3.35Å
316	L	98	Very high	93.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.7	179.6	-62	93.5	0	0	0	108.7	V59 V61 L303 S305 I306 Y318 S326 V327 A329 V332	V59-L316 HydrophobicContact CB-CD2 4.35Å; V59-L316 HydrophobicContact CG1-CD2 3.95Å; V59-L316 HydrophobicContact CG2-CD1 4.38Å; V61-L316 HydrophobicContact CG2-CD2 4.21Å; L303-L316 HydrophobicContact CD1-CB 3.74Å; L303-L316 HydrophobicContact CD1-CD2 3.93Å; L303-L316 HydrophobicContact CD1-CG 4.26Å; L303-L316 HydrophobicContact CD2-CD2 4.18Å; S305-L316 WeakPolarHBondContact O-CA 3.2Å; I306-L316 HydrophobicContact CD1-CD2 4.42Å; I306-L316 HydrophobicContact CD1-CG 4.44Å; I306-L316 HydrophobicContact CG1-CG 4.3Å; L316-Y318 HydrophobicContact CB-CD2 4.3Å; L316-Y318 HydrophobicContact CB-CE2 3.51Å; L316-Y318 HydrophobicContact CD2-CE2 4.4Å; L316-Y318 WeakPolarHBondContact CD2-OH 3.24Å; L316-S326 CarbonylContact O-C 3.56Å; L316-S326 WeakPolarHBondContact O-CA 3.4Å; L316-V327 HydrophobicContact CB-CB 4.47Å; L316-V327 PolarHBondContact N-O 3.43Å; L316-V327 PolarHBondContact O-N 3.31Å; L316-A329 HydrophobicContact CD1-CB 3.72Å; L316-V332 HydrophobicContact CD1-CG2 3.8Å; L316-V332 HydrophobicContact CD2-CG1 4.01Å; L316-V332 HydrophobicContact CD2-CG2 4.01Å; L316-V332 HydrophobicContact CG-CG2 4.35Å
317	V	98	Very high	93.4	Very high	39 Å²	39	58.1 Å²	58.1	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.7	178.3	-176.3	0	0	0	0	109.6	L303 T304 S305 V324 V325	L303-V317 WeakPolarHBondContact CD1-O 3.43Å; T304-V317 PolarHBondContact N-O 3.21Å; T304-V317 PolarHBondContact OG1-O 2.92Å; T304-V317 VanDerWaalsContact OG1-O 3.11Å; S305-V317 PolarHBondContact O-N 2.91Å; S305-V317 WeakPolarHBondContact OG-CB 3.36Å; S305-V317 WeakPolarHBondContact OG-CG2 3.35Å; V317-V324 HydrophobicContact CG1-CG1 3.56Å; V317-V325 WeakPolarHBondContact CA-O 3.4Å
318	Y	98.5	Very high	93.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.2	-176.4	-68.2	-91	0	0	0	111.6	V59 T86 W301 K302 L303 L316 V324 V325 V327	V59-Y318 VanDerWaalsContact CG1-OH 3.26Å; V59-Y318 WeakPolarHBondContact CG1-OH 2.99Å; T86-Y318 VanDerWaalsContact CB-CE1 3.45Å; T86-Y318 HydrophobicContact CG2-CD1 4.42Å; T86-Y318 HydrophobicContact CG2-CE1 3.63Å; T86-Y318 HydrophobicContact CG2-CE2 4.31Å; T86-Y318 WeakPolarHBondContact CG2-OH 3.48Å; T86-Y318 VanDerWaalsContact OG1-CE1 3.28Å; T86-Y318 WeakPolarHBondContact OG1-CE1 3.31Å; T86-Y318 PolarHBondContact OG1-OH 3.17Å; W301-Y318 HydrophobicContact CB-CD1 3.97Å; W301-Y318 HydrophobicContact CE3-CD1 4.23Å; W301-Y318 HydrophobicContact CE3-CD2 4.16Å; W301-Y318 AromaticContact CE3-CG 3.9Å; W301-Y318 HydrophobicContact CE3-CG 3.9Å; W301-Y318 HydrophobicContact CZ3-CD2 4.49Å; K302-Y318 VanDerWaalsContact O-CA 3.32Å; K302-Y318 WeakPolarHBondContact O-CA 3.36Å; L303-Y318 HydrophobicContact CB-CD1 4.07Å; L303-Y318 HydrophobicContact CB-CE1 3.65Å; L303-Y318 HydrophobicContact CD1-CD1 4.42Å; L303-Y318 HydrophobicContact CD1-CD2 4.49Å; L303-Y318 HydrophobicContact CD1-CE1 3.96Å; L303-Y318 HydrophobicContact CD1-CE2 4.05Å; L303-Y318 HydrophobicContact CG-CE1 4.37Å; L316-Y318 HydrophobicContact CB-CD2 4.3Å; L316-Y318 HydrophobicContact CB-CE2 3.51Å; L316-Y318 HydrophobicContact CD2-CE2 4.4Å; L316-Y318 WeakPolarHBondContact CD2-OH 3.24Å; Y318-V324 WeakPolarHBondContact O-CA 3.48Å; Y318-V325 PolarHBondContact N-O 3.29Å; Y318-V325 PolarHBondContact O-N 2.88Å; Y318-V327 HydrophobicContact CD2-CG2 3.82Å; Y318-V327 HydrophobicContact CE2-CB 4.15Å; Y318-V327 HydrophobicContact CE2-CG2 3.75Å
319	E	98.1	Very high	93.5	Very high	99 Å²	99	53.4 Å²	53.4	46%	0.463	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.8	155.9	-74.4	170.8	179.3	0	0	108.3	K302 T304	K302-E319 HydrophobicContact CB-CB 4.43Å; K302-E319 PolarHBondContact N-O 3.39Å; K302-E319 IonicContact NZ-OE2 4Å; K302-E319 PolarHBondContact O-N 3.02Å; T304-E319 HydrophobicContact CG2-CB 4.26Å; T304-E319 HydrophobicContact CG2-CG 3.64Å
320	T	97.8	Very high	93.8	Very high	18 Å²	18	56.2 Å²	56.2	11%	0.11	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	164.4	-178.4	79.6	0	0	0	0	110.2	W301 E322 G323 V325	W301-T320 HydrophobicContact CB-CG2 4.42Å; W301-T320 HydrophobicContact CD2-CG2 3.46Å; W301-T320 VanDerWaalsContact CD2-CG2 3.46Å; W301-T320 HydrophobicContact CE3-CG2 3.97Å; W301-T320 HydrophobicContact CG-CG2 3.65Å; W301-T320 HydrophobicContact CZ2-CG2 4.08Å; W301-T320 HydrophobicContact CZ3-CG2 4.47Å; T320-E322 PolarHBondContact O-N 3.04Å; T320-E322 PolarHBondContact OG1-N 2.75Å; T320-E322 PolarHBondContact OG1-OE2 3.19Å; T320-G323 WeakPolarHBondContact CB-O 3.26Å; T320-G323 PolarHBondContact N-O 3.18Å; T320-G323 PolarHBondContact O-N 2.87Å; T320-G323 VanDerWaalsContact O-N 3.07Å; T320-G323 PolarHBondContact OG1-N 3.25Å; T320-G323 PolarHBondContact OG1-O 2.88Å; T320-V325 HydrophobicContact CG2-CB 4.14Å; T320-V325 HydrophobicContact CG2-CG2 3.89Å
321	P	96.4	Very high	94.6	Very high	91 Å²	91	48.3 Å²	48.3	59%	0.591	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28	174	-24	35.6	0	0	0	113.5	S300	S300-P321 WeakPolarHBondContact O-CD 3.2Å
322	E	94	Very high	95.8	Very high	150 Å²	150	41.7 Å²	41.7	70%	0.701	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.8	179.8	-57.9	76.4	-159.3	0	0	113.5	T320	T320-E322 PolarHBondContact O-N 3.04Å; T320-E322 PolarHBondContact OG1-N 2.75Å; T320-E322 PolarHBondContact OG1-OE2 3.19Å
323	G	96.2	Very high	96.8	Very high	36 Å²	36	36.2 Å²	36.2	37%	0.371	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.9	-162.5	-178.4	0	0	0	0	0	113.4	T320	T320-G323 WeakPolarHBondContact CB-O 3.26Å; T320-G323 PolarHBondContact N-O 3.18Å; T320-G323 PolarHBondContact O-N 2.87Å; T320-G323 VanDerWaalsContact O-N 3.07Å; T320-G323 PolarHBondContact OG1-N 3.25Å; T320-G323 PolarHBondContact OG1-O 2.88Å
324	V	97.5	Very high	97.1	Very high	91 Å²	91	36 Å²	36	55%	0.552	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.2	-179.4	178.1	0	0	0	0	110.1	V317 Y318	V317-V324 HydrophobicContact CG1-CG1 3.56Å; Y318-V324 WeakPolarHBondContact O-CA 3.48Å
325	V	97.1	Very high	97.2	Very high	22 Å²	22	36.7 Å²	36.7	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140	178.2	179.9	0	0	0	0	110.2	V54 W301 V317 Y318 T320 V327	V54-V325 HydrophobicContact CG2-CG1 4.49Å; W301-V325 HydrophobicContact CH2-CB 4.15Å; W301-V325 HydrophobicContact CH2-CG1 3.71Å; W301-V325 HydrophobicContact CH2-CG2 4.26Å; W301-V325 HydrophobicContact CZ2-CG2 4.46Å; W301-V325 HydrophobicContact CZ3-CB 4.22Å; W301-V325 HydrophobicContact CZ3-CG1 3.86Å; V317-V325 WeakPolarHBondContact CA-O 3.4Å; Y318-V325 PolarHBondContact N-O 3.29Å; Y318-V325 PolarHBondContact O-N 2.88Å; T320-V325 HydrophobicContact CG2-CB 4.14Å; T320-V325 HydrophobicContact CG2-CG2 3.89Å; V325-V327 HydrophobicContact CG1-CG2 4.4Å
326	S	96.5	Very high	97.3	Very high	44 Å²	44	37.2 Å²	37.2	31%	0.308	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.9	171.8	-174.6	0	0	0	0	111	V54 L316	V54-S326 PolarHBondContact N-O 2.86Å; L316-S326 CarbonylContact O-C 3.56Å; L316-S326 WeakPolarHBondContact O-CA 3.4Å
327	V	96.9	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.1	178.8	-174	0	0	0	0	109.5	V54 V59 L84 W301 A315 L316 Y318 V325	V54-V327 HydrophobicContact CB-CG1 4.38Å; V54-V327 HydrophobicContact CB-CG2 4.24Å; V54-V327 HydrophobicContact CG1-CG1 4.34Å; V54-V327 CarbonylContact O-C 3.47Å; V54-V327 VanDerWaalsContact O-CA 3.28Å; V54-V327 WeakPolarHBondContact O-CA 3.35Å; V59-V327 HydrophobicContact CG2-CG1 3.85Å; L84-V327 HydrophobicContact CD2-CG1 3.93Å; L84-V327 HydrophobicContact CD2-CG2 4.12Å; W301-V327 HydrophobicContact CZ3-CG2 3.94Å; A315-V327 WeakPolarHBondContact CA-O 3.35Å; L316-V327 HydrophobicContact CB-CB 4.47Å; L316-V327 PolarHBondContact N-O 3.43Å; L316-V327 PolarHBondContact O-N 3.31Å; Y318-V327 HydrophobicContact CD2-CG2 3.82Å; Y318-V327 HydrophobicContact CE2-CB 4.15Å; Y318-V327 HydrophobicContact CE2-CG2 3.75Å; V325-V327 HydrophobicContact CG1-CG2 4.4Å
328	Q	96.4	Very high	97.4	Very high	67 Å²	67	37.5 Å²	37.5	31%	0.313	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.6	170.2	-64.5	-61.9	-48.3	0	0	110.2	V54 S55 A56 S309 Y314	V54-Q328 PolarHBondContact O-N 3.35Å; S55-Q328 CarbonylContact C-O 3.32Å; S55-Q328 VanDerWaalsContact CA-O 3.26Å; S55-Q328 WeakPolarHBondContact CA-O 3.36Å; A56-Q328 PolarHBondContact N-O 3.38Å; S309-Q328 PolarHBondContact OG-OE1 3.14Å; Y314-Q328 CarbonylContact O-C 3.56Å; Y314-Q328 WeakPolarHBondContact O-CA 3.42Å
329	A	96.5	Very high	97.3	Very high	6 Å²	6	40.6 Å²	40.6	5%	0.05	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.6	-179	0	0	0	0	0	112.2	A56 V59 G313 Y314 L316 T331 V332	A56-A329 VanDerWaalsContact O-CA 3.27Å; A56-A329 WeakPolarHBondContact O-CA 3.43Å; V59-A329 HydrophobicContact CB-CB 4.11Å; V59-A329 HydrophobicContact CG2-CB 3.53Å; G313-A329 CarbonylContact C-O 3.58Å; G313-A329 VanDerWaalsContact CA-O 3.26Å; G313-A329 WeakPolarHBondContact CA-O 3.29Å; Y314-A329 PolarHBondContact N-O 3.31Å; Y314-A329 PolarHBondContact O-N 3.23Å; L316-A329 HydrophobicContact CD1-CB 3.72Å; A329-T331 WeakPolarHBondContact CB-O 3.46Å; A329-V332 HydrophobicContact CB-CG2 4.03Å
330	K	95.5	Very high	97.4	Very high	80 Å²	80	38.3 Å²	38.3	35%	0.348	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-34.8	168.5	-61.9	177.4	-174.2	158.5	0	111.6	A56 D57 L530 Y533	A56-K330 PolarHBondContact O-N 3.02Å; D57-K330 WeakPolarHBondContact O-CB 3.31Å; D57-K330 PolarHBondContact O-N 3.48Å; D57-K330 VanDerWaalsContact OD1-CD 3.29Å; D57-K330 WeakPolarHBondContact OD1-CD 3.14Å; D57-K330 WeakPolarHBondContact OD1-CE 3.48Å; D57-K330 IonicContact OD1-NZ 3.36Å; D57-K330 PolarHBondContact OD1-NZ 3.05Å; K330-L530 HydrophobicContact CB-CD2 3.77Å; K330-L530 HydrophobicContact CD-CD2 4.07Å; K330-Y533 HydrophobicContact CD-CD1 3.98Å; K330-Y533 HydrophobicContact CD-CE1 3.9Å; K330-Y533 HydrophobicContact CG-CE1 4.09Å
331	T	97.1	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.2	177.1	57.7	0	0	0	0	111.3	D57 C58 V59 A329 G499 F501 I526 Y529 L530	D57-T331 PolarHBondContact O-N 3.28Å; D57-T331 PolarHBondContact O-OG1 2.92Å; C58-T331 WeakPolarHBondContact CA-O 3.48Å; C58-T331 WeakPolarHBondContact CA-OG1 3.23Å; C58-T331 VanDerWaalsContact CB-OG1 3.32Å; C58-T331 WeakPolarHBondContact CB-OG1 3.45Å; C58-T331 PolarHBondContact SG-OG1 2.87Å; C58-T331 VanDerWaalsContact SG-OG1 3.4Å; V59-T331 PolarHBondContact N-O 3.37Å; A329-T331 WeakPolarHBondContact CB-O 3.46Å; T331-G499 CarbonylContact C-O 3.5Å; T331-G499 VanDerWaalsContact CA-O 3.27Å; T331-G499 WeakPolarHBondContact CA-O 3.45Å; T331-G499 WeakPolarHBondContact CB-O 3.44Å; T331-F501 HydrophobicContact CG2-CE2 4.11Å; T331-I526 HydrophobicContact CG2-CG2 4.45Å; T331-Y529 HydrophobicContact CG2-CD1 3.33Å; T331-Y529 HydrophobicContact CG2-CE1 3.77Å; T331-Y529 HydrophobicContact CG2-CG 4.32Å; T331-L530 HydrophobicContact CG2-CD2 3.76Å; T331-L530 HydrophobicContact CG2-CG 4Å
332	V	98.5	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.8	175.8	-179	0	0	0	0	108.6	V59 V61 I306 Y314 L316 A329 M334 G499 L500 F501	V59-V332 CarbonylContact O-C 3.47Å; V59-V332 VanDerWaalsContact O-CA 3.3Å; V59-V332 WeakPolarHBondContact O-CA 3.5Å; V61-V332 HydrophobicContact CG2-CG1 3.89Å; I306-V332 HydrophobicContact CD1-CB 4.27Å; I306-V332 HydrophobicContact CD1-CG1 4.07Å; I306-V332 HydrophobicContact CD1-CG2 4.05Å; Y314-V332 HydrophobicContact CD2-CG2 3.94Å; Y314-V332 HydrophobicContact CG-CG2 3.92Å; L316-V332 HydrophobicContact CD1-CG2 3.8Å; L316-V332 HydrophobicContact CD2-CG1 4.01Å; L316-V332 HydrophobicContact CD2-CG2 4.01Å; L316-V332 HydrophobicContact CG-CG2 4.35Å; A329-V332 HydrophobicContact CB-CG2 4.03Å; V332-M334 HydrophobicContact CG1-SD 3.94Å; V332-G499 PolarHBondContact N-O 3.48Å; V332-L500 HydrophobicContact CB-CD1 3.79Å; V332-L500 HydrophobicContact CG1-CD1 3.84Å; V332-L500 CarbonylContact O-C 3.47Å; V332-L500 WeakPolarHBondContact O-CA 3.2Å; V332-F501 PolarHBondContact O-N 3.03Å
333	V	98.8	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	170.2	60.3	0	0	0	0	111.2	V59 V60 V61 T70 T335 F501 I526	V59-V333 PolarHBondContact O-N 3.04Å; V60-V333 HydrophobicContact CB-CG1 4.01Å; V60-V333 HydrophobicContact CG1-CG1 4.01Å; V60-V333 HydrophobicContact CG2-CG1 3.67Å; V61-V333 PolarHBondContact N-O 3.11Å; T70-V333 HydrophobicContact CG2-CG1 4.28Å; V333-T335 HydrophobicContact CG2-CG2 3.96Å; V333-T335 PolarHBondContact O-N 2.87Å; V333-F501 WeakPolarHBondContact CA-O 3.26Å; V333-F501 HydrophobicContact CB-CB 4.11Å; V333-F501 HydrophobicContact CG2-CB 3.96Å; V333-I526 HydrophobicContact CB-CD1 3.92Å; V333-I526 HydrophobicContact CG1-CD1 3.86Å; V333-I526 HydrophobicContact CG2-CD1 4.42Å
334	M	98.8	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	97.1	-178.1	-58.2	-60.2	-77.9	0	0	109.8	V61 L303 V332 I336 I344 L500 F501 L502 G503	V61-M334 HydrophobicContact CB-CE 4.48Å; V61-M334 HydrophobicContact CB-SD 3.77Å; V61-M334 HydrophobicContact CG1-CE 4.28Å; V61-M334 HydrophobicContact CG1-SD 4.2Å; V61-M334 HydrophobicContact CG2-SD 3.66Å; L303-M334 HydrophobicContact CD2-CE 4.12Å; L303-M334 HydrophobicContact CD2-SD 4.38Å; V332-M334 HydrophobicContact CG1-SD 3.94Å; M334-I336 HydrophobicContact CE-CD1 3.46Å; M334-I336 VanDerWaalsContact CE-CD1 3.46Å; M334-I336 HydrophobicContact CE-CG1 4.14Å; M334-I344 HydrophobicContact CE-CB 4.31Å; M334-I344 HydrophobicContact CE-CD1 4.22Å; M334-I344 HydrophobicContact CE-CG2 3.93Å; M334-L500 HydrophobicContact CG-CD1 3.85Å; M334-L500 HydrophobicContact SD-CD1 4.46Å; M334-F501 PolarHBondContact N-O 3.31Å; M334-L502 HydrophobicContact CB-CD2 4.19Å; M334-G503 CarbonylContact O-C 3.59Å; M334-G503 PolarHBondContact O-N 3.01Å; M334-G503 VanDerWaalsContact O-O 3.12Å
335	T	98.8	Very high	97.9	Very high	16 Å²	16	26.3 Å²	26.3	10%	0.098	14%	0.14	C	C	.	.			trans	-101.6	9	178.2	69.4	0	0	0	0	113.9	V60 V61 G62 G67 V333	V60-T335 HydrophobicContact CG1-CG2 4.32Å; V61-T335 WeakPolarHBondContact O-CA 3.49Å; V61-T335 PolarHBondContact O-N 3.27Å; V61-T335 PolarHBondContact O-OG1 2.85Å; G62-T335 PolarHBondContact O-OG1 3.37Å; G67-T335 WeakPolarHBondContact CA-OG1 3.44Å; V333-T335 HydrophobicContact CG2-CG2 3.96Å; V333-T335 PolarHBondContact O-N 2.87Å
336	I	98.6	Very high	97.9	Very high	23 Å²	23	30 Å²	30	12%	0.118	15%	0.151	C	C	.	.	S	Bend	trans	-75.9	165.2	173.4	57.8	178.4	0	0	0	111.8	V61 M334 V340 A341 I344 Y506	V61-I336 HydrophobicContact CG1-CD1 4.24Å; V61-I336 HydrophobicContact CG1-CG2 3.96Å; V61-I336 PolarHBondContact O-N 3.28Å; M334-I336 HydrophobicContact CE-CD1 3.46Å; M334-I336 VanDerWaalsContact CE-CD1 3.46Å; M334-I336 HydrophobicContact CE-CG1 4.14Å; I336-V340 HydrophobicContact CD1-CB 3.95Å; I336-V340 HydrophobicContact CD1-CG1 3.74Å; I336-V340 HydrophobicContact CG1-CB 4.41Å; I336-A341 HydrophobicContact CD1-CB 4.27Å; I336-A341 HydrophobicContact CG1-CB 4.11Å; I336-I344 HydrophobicContact CD1-CD1 3.74Å; I336-Y506 WeakPolarHBondContact O-CE1 3.37Å
337	P	98.4	Very high	97.9	Very high	44 Å²	44	33.3 Å²	33.3	29%	0.286	17%	0.172	S	C	.	.			trans	-56	147.9	174.7	-23.5	34	0	0	0	112.4	Y339 V340 A341	P337-Y339 VanDerWaalsContact C-N 3.29Å; P337-Y339 HydrophobicContact CB-CD1 3.8Å; P337-Y339 HydrophobicContact CB-CE1 3.28Å; P337-Y339 HydrophobicContact CB-CE2 4.39Å; P337-Y339 HydrophobicContact CG-CE1 4.16Å; P337-Y339 PolarHBondContact O-N 3.28Å; P337-V340 HydrophobicContact CB-CG2 4.22Å; P337-V340 HydrophobicContact CG-CG2 4.34Å; P337-V340 PolarHBondContact O-N 2.89Å; P337-A341 PolarHBondContact O-N 2.68Å
338	S	98.5	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-35	-171.3	70.3	0	0	0	0	113	V340 A341 S342 L356 F359 Y361	S338-V340 VanDerWaalsContact C-N 3.33Å; S338-V340 PolarHBondContact O-N 3.41Å; S338-A341 CarbonylContact O-C 3.59Å; S338-A341 WeakPolarHBondContact O-CB 3.38Å; S338-A341 PolarHBondContact O-N 3.04Å; S338-S342 WeakPolarHBondContact O-CB 3.45Å; S338-S342 PolarHBondContact O-N 3.44Å; S338-L356 CarbonylContact C-O 3.58Å; S338-L356 WeakPolarHBondContact CB-O 3.5Å; S338-L356 PolarHBondContact OG-O 2.94Å; S338-F359 VanDerWaalsContact OG-CB 3.31Å; S338-F359 WeakPolarHBondContact OG-CB 3.45Å; S338-Y361 PolarHBondContact N-OH 3.19Å; S338-Y361 WeakPolarHBondContact OG-CE2 3.31Å; S338-Y361 PolarHBondContact OG-OH 2.97Å
339	Y	98.1	Very high	98	Very high	66 Å²	66	31.9 Å²	31.9	26%	0.259	17%	0.167	S	C	.	.	H	α-helix	trans	-66.3	-35.7	177.7	59.5	-92.5	0	0	0	111.9	P337 S342 D343 Y361 Q472	P337-Y339 VanDerWaalsContact C-N 3.29Å; P337-Y339 HydrophobicContact CB-CD1 3.8Å; P337-Y339 HydrophobicContact CB-CE1 3.28Å; P337-Y339 HydrophobicContact CB-CE2 4.39Å; P337-Y339 HydrophobicContact CG-CE1 4.16Å; P337-Y339 PolarHBondContact O-N 3.28Å; Y339-S342 WeakPolarHBondContact O-CB 3.35Å; Y339-S342 PolarHBondContact O-N 3.06Å; Y339-D343 PolarHBondContact O-N 3.03Å; Y339-D343 VanDerWaalsContact O-N 3.15Å; Y339-Y361 AromaticContact CD1-CD2 3.93Å; Y339-Y361 HydrophobicContact CD1-CD2 3.93Å; Y339-Y361 AromaticContact CD1-CE2 3.83Å; Y339-Y361 HydrophobicContact CD1-CE2 3.83Å; Y339-Y361 HydrophobicContact CE1-CD1 4.48Å; Y339-Y361 HydrophobicContact CE1-CD2 4.16Å; Y339-Y361 HydrophobicContact CE1-CE1 4.49Å; Y339-Y361 HydrophobicContact CE1-CE2 4.21Å; Y339-Y361 HydrophobicContact CE1-CG 4.33Å; Y339-Q472 HydrophobicContact CE1-CB 4.3Å; Y339-Q472 PolarHBondContact OH-OE1 2.93Å
340	V	98.3	Very high	98.1	Very high	50 Å²	50	34.6 Å²	34.6	30%	0.303	19%	0.186	S	C	.	.	H	α-helix	trans	-70.7	-40.1	173.6	-168.8	0	0	0	0	110.4	I336 P337 S338 S342 D343 I344	I336-V340 HydrophobicContact CD1-CB 3.95Å; I336-V340 HydrophobicContact CD1-CG1 3.74Å; I336-V340 HydrophobicContact CG1-CB 4.41Å; P337-V340 HydrophobicContact CB-CG2 4.22Å; P337-V340 HydrophobicContact CG-CG2 4.34Å; P337-V340 PolarHBondContact O-N 2.89Å; S338-V340 VanDerWaalsContact C-N 3.33Å; S338-V340 PolarHBondContact O-N 3.41Å; V340-S342 VanDerWaalsContact C-N 3.32Å; V340-S342 PolarHBondContact O-N 3.36Å; V340-D343 PolarHBondContact O-N 3.35Å; V340-I344 HydrophobicContact CG1-CD1 4.03Å; V340-I344 WeakPolarHBondContact O-CG1 3.46Å; V340-I344 PolarHBondContact O-N 2.92Å; V340-I344 VanDerWaalsContact O-N 3.14Å
341	A	98.6	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-39.9	173.5	0	0	0	0	0	111.6	I336 P337 S338 D343 I344 L345 L356	I336-A341 HydrophobicContact CD1-CB 4.27Å; I336-A341 HydrophobicContact CG1-CB 4.11Å; P337-A341 PolarHBondContact O-N 2.68Å; S338-A341 CarbonylContact O-C 3.59Å; S338-A341 WeakPolarHBondContact O-CB 3.38Å; S338-A341 PolarHBondContact O-N 3.04Å; A341-D343 PolarHBondContact O-N 2.89Å; A341-I344 PolarHBondContact O-N 2.8Å; A341-L345 WeakPolarHBondContact O-CB 3.27Å; A341-L345 WeakPolarHBondContact O-CG 3.31Å; A341-L345 PolarHBondContact O-N 2.85Å; A341-L356 HydrophobicContact CB-CD1 4.09Å
342	S	98.6	Very high	98.3	Very high	3 Å²	3	36 Å²	36	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-54.7	-53	173.9	154.6	0	0	0	0	110.9	S338 Y339 V340 I344 L345 R346 A353	S338-S342 WeakPolarHBondContact O-CB 3.45Å; S338-S342 PolarHBondContact O-N 3.44Å; Y339-S342 WeakPolarHBondContact O-CB 3.35Å; Y339-S342 PolarHBondContact O-N 3.06Å; V340-S342 VanDerWaalsContact C-N 3.32Å; V340-S342 PolarHBondContact O-N 3.36Å; S342-I344 VanDerWaalsContact C-N 3.34Å; S342-I344 PolarHBondContact O-N 2.85Å; S342-L345 PolarHBondContact O-N 3.18Å; S342-R346 WeakPolarHBondContact O-CB 3.4Å; S342-R346 PolarHBondContact O-N 3.15Å; S342-A353 VanDerWaalsContact CB-O 3.32Å; S342-A353 WeakPolarHBondContact CB-O 3.44Å; S342-A353 VanDerWaalsContact O-CB 3.28Å; S342-A353 WeakPolarHBondContact O-CB 3.37Å; S342-A353 PolarHBondContact OG-O 3.12Å; S342-A353 VanDerWaalsContact OG-O 3.14Å
343	D	98.3	Very high	98.3	Very high	113 Å²	113	36 Å²	36	60%	0.604	20%	0.197	S	C	*	.	H	α-helix	trans	-62.4	-41.9	-176.6	-66.3	-16.3	0	0	0	112.1	Y339 V340 A341	Y339-D343 PolarHBondContact O-N 3.03Å; Y339-D343 VanDerWaalsContact O-N 3.15Å; V340-D343 PolarHBondContact O-N 3.35Å; A341-D343 PolarHBondContact O-N 2.89Å
344	I	98.5	Very high	98.3	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-70.1	-37	179.4	-68.6	171.3	0	0	0	111.8	L303 I306 M334 I336 V340 A341 S342 P347	L303-I344 HydrophobicContact CB-CD1 4.25Å; L303-I344 HydrophobicContact CD2-CD1 4.12Å; L303-I344 HydrophobicContact CD2-CG2 3.9Å; L303-I344 HydrophobicContact CG-CD1 4.22Å; L303-I344 HydrophobicContact CG-CG2 4.27Å; I306-I344 HydrophobicContact CG2-CG2 3.68Å; M334-I344 HydrophobicContact CE-CB 4.31Å; M334-I344 HydrophobicContact CE-CD1 4.22Å; M334-I344 HydrophobicContact CE-CG2 3.93Å; I336-I344 HydrophobicContact CD1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CD1 4.03Å; V340-I344 WeakPolarHBondContact O-CG1 3.46Å; V340-I344 PolarHBondContact O-N 2.92Å; V340-I344 VanDerWaalsContact O-N 3.14Å; A341-I344 PolarHBondContact O-N 2.8Å; S342-I344 VanDerWaalsContact C-N 3.34Å; S342-I344 PolarHBondContact O-N 2.85Å; I344-P347 WeakPolarHBondContact O-CD 3.48Å
345	L	98.4	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-89.1	-13.8	-174.7	-65	179.6	0	0	0	113.8	I306 A341 S342 P347 L348 S349 L356 L492 L500 L502	I306-L345 HydrophobicContact CG2-CD2 3.91Å; A341-L345 WeakPolarHBondContact O-CB 3.27Å; A341-L345 WeakPolarHBondContact O-CG 3.31Å; A341-L345 PolarHBondContact O-N 2.85Å; S342-L345 PolarHBondContact O-N 3.18Å; L345-P347 VanDerWaalsContact C-CD 3.47Å; L345-P347 VanDerWaalsContact C-N 3.34Å; L345-L348 HydrophobicContact CD2-CD1 4.24Å; L345-L348 WeakPolarHBondContact O-CA 3.45Å; L345-L348 WeakPolarHBondContact O-CB 3.39Å; L345-L348 PolarHBondContact O-N 3.24Å; L345-S349 PolarHBondContact O-N 3.49Å; L345-L356 HydrophobicContact CD1-CD1 3.84Å; L345-L492 HydrophobicContact CD1-CD1 4.46Å; L345-L500 HydrophobicContact CD1-CD2 4.5Å; L345-L500 HydrophobicContact CD2-CD1 4.49Å; L345-L500 HydrophobicContact CD2-CD2 3.61Å; L345-L502 HydrophobicContact CD1-CD2 4.07Å
346	R	98.2	Very high	98.3	Very high	99 Å²	99	39.2 Å²	39.2	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-41.2	-179.7	-175.8	168.5	-66.5	-75.6	-6.2	114.2	S342 L348 A353 D354	S342-R346 WeakPolarHBondContact O-CB 3.4Å; S342-R346 PolarHBondContact O-N 3.15Å; R346-L348 VanDerWaalsContact C-N 3.25Å; R346-L348 PolarHBondContact O-N 2.94Å; R346-A353 HydrophobicContact CB-CB 3.68Å; R346-A353 HydrophobicContact CG-CB 4.21Å; R346-D354 IonicContact CZ-OD1 2.84Å; R346-D354 VanDerWaalsContact CZ-OD1 3.23Å; R346-D354 IonicContact NH1-OD1 3.15Å; R346-D354 PolarHBondContact NH1-OD1 2.82Å; R346-D354 IonicContact NH2-OD1 2.67Å; R346-D354 PolarHBondContact NH2-OD1 3.48Å
347	P	97.1	Very high	98.2	Very high	113 Å²	113	41 Å²	41	73%	0.734	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.7	175.3	-22.3	35.4	0	0	0	114.4	I344 L345	I344-P347 WeakPolarHBondContact O-CD 3.48Å; L345-P347 VanDerWaalsContact C-CD 3.47Å; L345-P347 VanDerWaalsContact C-N 3.34Å
348	L	96.3	Very high	98.2	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.131	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-44.4	176.6	-68.1	-175	0	0	0	112	I306 L345 R346 Y497 L500	I306-L348 HydrophobicContact CB-CD1 4.49Å; I306-L348 HydrophobicContact CG1-CD1 4.22Å; I306-L348 HydrophobicContact CG2-CD1 3.75Å; I306-L348 HydrophobicContact CG2-CG 4.43Å; L345-L348 HydrophobicContact CD2-CD1 4.24Å; L345-L348 WeakPolarHBondContact O-CA 3.45Å; L345-L348 WeakPolarHBondContact O-CB 3.39Å; L345-L348 PolarHBondContact O-N 3.24Å; R346-L348 VanDerWaalsContact C-N 3.25Å; R346-L348 PolarHBondContact O-N 2.94Å; L348-Y497 HydrophobicContact CB-CE1 4.19Å; L348-Y497 HydrophobicContact CB-CE2 4.17Å; L348-Y497 HydrophobicContact CD1-CD1 4.45Å; L348-Y497 HydrophobicContact CD1-CE1 4.43Å; L348-Y497 HydrophobicContact CD2-CE1 3.9Å; L348-Y497 HydrophobicContact CG-CE1 4.42Å; L348-Y497 VanDerWaalsContact O-CE2 3.26Å; L348-Y497 WeakPolarHBondContact O-CE2 3.46Å; L348-Y497 VanDerWaalsContact O-CZ 3.26Å; L348-Y497 PolarHBondContact O-OH 3.5Å; L348-L500 HydrophobicContact CD1-CD2 4.44Å
349	S	97.8	Very high	98.1	Very high	13 Å²	13	43.5 Å²	43.5	9%	0.091	24%	0.239	C	C	.	.			trans	-151	108.5	-177.6	178.7	0	0	0	0	109.9	L345 D351 A352 A353	L345-S349 PolarHBondContact O-N 3.49Å; S349-D351 VanDerWaalsContact C-N 3.27Å; S349-D351 PolarHBondContact O-N 3.22Å; S349-A352 PolarHBondContact O-N 3.17Å; S349-A352 WeakPolarHBondContact OG-CB 3.4Å; S349-A352 PolarHBondContact OG-N 2.84Å; S349-A352 VanDerWaalsContact OG-N 3.13Å; S349-A353 WeakPolarHBondContact O-CB 3.39Å; S349-A353 PolarHBondContact O-N 2.81Å
350	S	98.2	Very high	98.1	Very high	63 Å²	63	44.6 Å²	44.6	44%	0.441	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-44.5	171	50.8	0	0	0	0	111	A352 A353 D354	S350-A352 PolarHBondContact O-N 3.22Å; S350-A353 PolarHBondContact O-N 3.01Å; S350-D354 WeakPolarHBondContact O-CB 3.31Å; S350-D354 PolarHBondContact O-N 3.02Å
351	D	98.4	Very high	98.1	Very high	110 Å²	110	42.9 Å²	42.9	59%	0.588	23%	0.231	S	C	*	.	H	α-helix	trans	-64	-43	-176.6	-63.4	1.6	0	0	0	111.9	S349 A355 A491	S349-D351 VanDerWaalsContact C-N 3.27Å; S349-D351 PolarHBondContact O-N 3.22Å; D351-A355 WeakPolarHBondContact O-CB 3.43Å; D351-A355 PolarHBondContact O-N 2.87Å; D351-A355 VanDerWaalsContact O-N 3.07Å; D351-A491 HydrophobicContact CB-CB 3.79Å
352	A	98.5	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-41.5	175.9	0	0	0	0	0	111.4	S349 S350 A355 L356 A491 L492	S349-A352 PolarHBondContact O-N 3.17Å; S349-A352 WeakPolarHBondContact OG-CB 3.4Å; S349-A352 PolarHBondContact OG-N 2.84Å; S349-A352 VanDerWaalsContact OG-N 3.13Å; S350-A352 PolarHBondContact O-N 3.22Å; A352-A355 PolarHBondContact O-N 3.47Å; A352-L356 WeakPolarHBondContact O-CB 3.43Å; A352-L356 VanDerWaalsContact O-CG 3.26Å; A352-L356 WeakPolarHBondContact O-CG 3.5Å; A352-L356 PolarHBondContact O-N 2.96Å; A352-A491 HydrophobicContact CB-CB 3.92Å; A352-L492 HydrophobicContact CB-CD2 3.79Å; A352-L492 HydrophobicContact CB-CG 3.85Å
353	A	98.6	Very high	98	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-43.6	177.8	0	0	0	0	0	112.2	S342 R346 S349 S350 A355 L356 S357	S342-A353 VanDerWaalsContact CB-O 3.32Å; S342-A353 WeakPolarHBondContact CB-O 3.44Å; S342-A353 VanDerWaalsContact O-CB 3.28Å; S342-A353 WeakPolarHBondContact O-CB 3.37Å; S342-A353 PolarHBondContact OG-O 3.12Å; S342-A353 VanDerWaalsContact OG-O 3.14Å; R346-A353 HydrophobicContact CB-CB 3.68Å; R346-A353 HydrophobicContact CG-CB 4.21Å; S349-A353 WeakPolarHBondContact O-CB 3.39Å; S349-A353 PolarHBondContact O-N 2.81Å; S350-A353 PolarHBondContact O-N 3.01Å; A353-A355 PolarHBondContact O-N 3.46Å; A353-L356 PolarHBondContact O-N 2.91Å; A353-S357 WeakPolarHBondContact O-CB 3.12Å; A353-S357 PolarHBondContact O-N 3.46Å
354	D	98.7	Very high	98	Very high	74 Å²	74	38.2 Å²	38.2	40%	0.396	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-44.6	178	-69.8	-15.2	0	0	0	110.7	R346 S350 L356 S357 I358	R346-D354 IonicContact CZ-OD1 2.84Å; R346-D354 VanDerWaalsContact CZ-OD1 3.23Å; R346-D354 IonicContact NH1-OD1 3.15Å; R346-D354 PolarHBondContact NH1-OD1 2.82Å; R346-D354 IonicContact NH2-OD1 2.67Å; R346-D354 PolarHBondContact NH2-OD1 3.48Å; S350-D354 WeakPolarHBondContact O-CB 3.31Å; S350-D354 PolarHBondContact O-N 3.02Å; D354-L356 VanDerWaalsContact C-N 3.33Å; D354-L356 PolarHBondContact O-N 3.32Å; D354-S357 PolarHBondContact O-N 2.8Å; D354-S357 PolarHBondContact O-OG 2.85Å; D354-I358 WeakPolarHBondContact O-CG1 3.3Å
355	A	98.6	Very high	98	Very high	8 Å²	8	37.3 Å²	37.3	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-60.2	-40	174.1	0	0	0	0	0	112.9	D351 A352 A353 F359 A487 A488	D351-A355 WeakPolarHBondContact O-CB 3.43Å; D351-A355 PolarHBondContact O-N 2.87Å; D351-A355 VanDerWaalsContact O-N 3.07Å; A352-A355 PolarHBondContact O-N 3.47Å; A353-A355 PolarHBondContact O-N 3.46Å; A355-F359 VanDerWaalsContact O-CE2 3.27Å; A355-F359 WeakPolarHBondContact O-CE2 3.44Å; A355-A487 HydrophobicContact CB-CB 4.2Å; A355-A488 HydrophobicContact CB-CB 3.91Å
356	L	98.6	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.3	-24.5	178.7	-75	168.8	0	0	0	114.2	S338 A341 L345 A352 A353 D354 I358 F359 A488 L502 Y506	S338-L356 CarbonylContact C-O 3.58Å; S338-L356 WeakPolarHBondContact CB-O 3.5Å; S338-L356 PolarHBondContact OG-O 2.94Å; A341-L356 HydrophobicContact CB-CD1 4.09Å; L345-L356 HydrophobicContact CD1-CD1 3.84Å; A352-L356 WeakPolarHBondContact O-CB 3.43Å; A352-L356 VanDerWaalsContact O-CG 3.26Å; A352-L356 WeakPolarHBondContact O-CG 3.5Å; A352-L356 PolarHBondContact O-N 2.96Å; A353-L356 PolarHBondContact O-N 2.91Å; D354-L356 VanDerWaalsContact C-N 3.33Å; D354-L356 PolarHBondContact O-N 3.32Å; L356-I358 VanDerWaalsContact C-N 3.28Å; L356-I358 PolarHBondContact O-N 3.11Å; L356-F359 HydrophobicContact CD2-CE2 4.28Å; L356-F359 WeakPolarHBondContact O-CD2 3.39Å; L356-A488 HydrophobicContact CD2-CB 4.25Å; L356-A488 HydrophobicContact CG-CB 3.96Å; L356-L502 HydrophobicContact CD1-CD1 4.49Å; L356-L502 HydrophobicContact CD1-CD2 4.21Å; L356-L502 HydrophobicContact CD2-CD1 4.13Å; L356-Y506 HydrophobicContact CD2-CD2 4.47Å; L356-Y506 HydrophobicContact CD2-CE2 3.63Å
357	S	98.1	Very high	98	Very high	60 Å²	60	32.8 Å²	32.8	42%	0.42	19%	0.186	S	C	.	.	H	α-helix	trans	-73.4	-19.4	178.7	75.5	0	0	0	0	113.6	A353 D354	A353-S357 WeakPolarHBondContact O-CB 3.12Å; A353-S357 PolarHBondContact O-N 3.46Å; D354-S357 PolarHBondContact O-N 2.8Å; D354-S357 PolarHBondContact O-OG 2.85Å
358	I	97.3	Very high	98	Very high	85 Å²	85	27.5 Å²	27.5	44%	0.436	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.2	-174.7	-67.6	167.6	0	0	0	112.7	D354 L356 Y360	D354-I358 WeakPolarHBondContact O-CG1 3.3Å; L356-I358 VanDerWaalsContact C-N 3.28Å; L356-I358 PolarHBondContact O-N 3.11Å; I358-Y360 PolarHBondContact O-N 3.44Å; I358-Y360 VanDerWaalsContact O-N 3.12Å
359	F	97.9	Very high	98.2	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.057	15%	0.146	C	C	.	.			trans	-64.6	118.5	-175	-61.6	-102.5	0	0	0	110.3	S338 A355 L356 Y361 H481 H484 L485 Y506	S338-F359 VanDerWaalsContact OG-CB 3.31Å; S338-F359 WeakPolarHBondContact OG-CB 3.45Å; A355-F359 VanDerWaalsContact O-CE2 3.27Å; A355-F359 WeakPolarHBondContact O-CE2 3.44Å; L356-F359 HydrophobicContact CD2-CE2 4.28Å; L356-F359 WeakPolarHBondContact O-CD2 3.39Å; F359-Y361 HydrophobicContact CB-CE2 3.99Å; F359-Y361 VanDerWaalsContact O-CD2 3.24Å; F359-Y361 WeakPolarHBondContact O-CD2 3.36Å; F359-Y361 WeakPolarHBondContact O-CE2 3.23Å; F359-H481 AromaticContact CD1-CE1 3.39Å; F359-H481 WeakPolarHBondContact CD1-CE1 3.48Å; F359-H481 AromaticContact CD1-ND1 3.4Å; F359-H481 WeakPolarHBondContact CD1-ND1 3.36Å; F359-H481 AromaticContact CE1-CE1 3.23Å; F359-H481 WeakPolarHBondContact CE1-CE1 3.31Å; F359-H481 AromaticContact CE1-CG 3.94Å; F359-H481 AromaticContact CE1-ND1 3.36Å; F359-H481 WeakPolarHBondContact CE1-ND1 3.28Å; F359-H481 AromaticContact CE1-NE2 3.74Å; F359-H484 HydrophobicContact CE2-CB 4.25Å; F359-H484 HydrophobicContact CZ-CB 4.13Å; F359-L485 HydrophobicContact CZ-CB 4.05Å; F359-Y506 HydrophobicContact CD1-CD2 4.48Å; F359-Y506 HydrophobicContact CE1-CD2 4.19Å; F359-Y506 HydrophobicContact CZ-CD2 4.25Å
360	Y	97.1	Very high	98.2	Very high	88 Å²	88	25.7 Å²	25.7	35%	0.345	14%	0.141	S	C	.	.			trans	-86.7	140.1	-176.4	174.8	-119.7	0	0	0	111.9	I358 P362 T432 Q476	I358-Y360 PolarHBondContact O-N 3.44Å; I358-Y360 VanDerWaalsContact O-N 3.12Å; Y360-P362 HydrophobicContact CE1-CB 3.93Å; Y360-P362 HydrophobicContact CE1-CG 4.35Å; Y360-T432 VanDerWaalsContact OH-CG2 3.24Å; Y360-T432 WeakPolarHBondContact OH-CG2 3.43Å; Y360-Q476 HydrophobicContact CD1-CB 4.19Å; Y360-Q476 HydrophobicContact CD1-CG 3.71Å; Y360-Q476 HydrophobicContact CE1-CG 4.25Å; Y360-Q476 PolarHBondContact O-N 3.13Å
361	Y	98	Very high	98.2	Very high	14 Å²	14	22.7 Å²	22.7	6%	0.055	12%	0.12	C	C	.	.			trans	-129.4	106.5	177.2	-66.3	-109.9	0	0	0	109.2	S338 Y339 F359 Q472 P475	S338-Y361 PolarHBondContact N-OH 3.19Å; S338-Y361 WeakPolarHBondContact OG-CE2 3.31Å; S338-Y361 PolarHBondContact OG-OH 2.97Å; Y339-Y361 AromaticContact CD1-CD2 3.93Å; Y339-Y361 HydrophobicContact CD1-CD2 3.93Å; Y339-Y361 AromaticContact CD1-CE2 3.83Å; Y339-Y361 HydrophobicContact CD1-CE2 3.83Å; Y339-Y361 HydrophobicContact CE1-CD1 4.48Å; Y339-Y361 HydrophobicContact CE1-CD2 4.16Å; Y339-Y361 HydrophobicContact CE1-CE1 4.49Å; Y339-Y361 HydrophobicContact CE1-CE2 4.21Å; Y339-Y361 HydrophobicContact CE1-CG 4.33Å; F359-Y361 HydrophobicContact CB-CE2 3.99Å; F359-Y361 VanDerWaalsContact O-CD2 3.24Å; F359-Y361 WeakPolarHBondContact O-CD2 3.36Å; F359-Y361 WeakPolarHBondContact O-CE2 3.23Å; Y361-Q472 HydrophobicContact CG-CB 4.45Å; Y361-P475 HydrophobicContact CD1-CB 4.13Å; Y361-P475 HydrophobicContact CE1-CB 3.54Å; Y361-P475 VanDerWaalsContact CE1-CD 3.49Å; Y361-P475 HydrophobicContact CE1-CG 3.85Å; Y361-P475 HydrophobicContact CE2-CB 4.17Å
362	P	97.4	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.			trans	-74.6	157.8	176.7	31.6	-38.8	0	0	0	111.6	Y360 S429 A473 I474 Q476	Y360-P362 HydrophobicContact CE1-CB 3.93Å; Y360-P362 HydrophobicContact CE1-CG 4.35Å; P362-S429 WeakPolarHBondContact CG-OG 3.47Å; P362-A473 WeakPolarHBondContact O-CB 3.39Å; P362-A473 PolarHBondContact O-N 3.07Å; P362-I474 WeakPolarHBondContact CD-O 3.41Å; P362-Q476 HydrophobicContact CG-CG 3.99Å
363	P	97.8	Very high	98.2	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.071	12%	0.117	C	C	.	.			trans	-76.8	140.7	171.8	33.9	-35.7	0	0	0	111	G428 T432 I434 V435 W470 P471	P363-G428 PolarHBondContact O-N 3.04Å; P363-T432 WeakPolarHBondContact CG-O 3.46Å; P363-I434 HydrophobicContact CB-CD1 3.7Å; P363-I434 HydrophobicContact CB-CG1 4.4Å; P363-I434 HydrophobicContact CG-CD1 4.11Å; P363-I434 HydrophobicContact CG-CG1 4.31Å; P363-V435 HydrophobicContact CB-CB 4.28Å; P363-V435 HydrophobicContact CG-CB 4.44Å; P363-W470 CarbonylContact C-O 3.45Å; P363-W470 WeakPolarHBondContact CA-O 3.2Å; P363-P471 WeakPolarHBondContact CA-O 3.4Å; P363-P471 WeakPolarHBondContact CB-O 3.28Å
364	V	98.1	Very high	98.2	Very high	7 Å²	7	29 Å²	29	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134	176	178.9	0	0	0	0	108.9	A219 Y425 W470 A473	A219-V364 HydrophobicContact CB-CG2 3.42Å; A219-V364 VanDerWaalsContact CB-CG2 3.42Å; V364-Y425 HydrophobicContact CG1-CD1 4.21Å; V364-W470 PolarHBondContact N-O 3.22Å; V364-W470 WeakPolarHBondContact O-CB 3.48Å; V364-W470 PolarHBondContact O-N 3.46Å; V364-A473 HydrophobicContact CB-CB 3.71Å; V364-A473 HydrophobicContact CG2-CB 3.69Å
365	A	98	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.7	170.1	0	0	0	0	0	110.9	Y425 I426 L442 R468 V469	A365-Y425 WeakPolarHBondContact O-CA 3.35Å; A365-I426 HydrophobicContact CB-CG2 3.81Å; A365-I426 PolarHBondContact N-O 3.25Å; A365-I426 PolarHBondContact O-N 3.11Å; A365-L442 HydrophobicContact CB-CD1 3.96Å; A365-L442 HydrophobicContact CB-CD2 4.33Å; A365-R468 CarbonylContact C-O 3.54Å; A365-R468 VanDerWaalsContact CA-O 3.27Å; A365-R468 WeakPolarHBondContact CA-O 3.5Å; A365-V469 HydrophobicContact CB-CG2 4.01Å
366	A	98.1	Very high	98.1	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.033	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.3	166.1	0	0	0	0	0	108.7	N424 Y425 V467 R468	A366-N424 CarbonylContact C-O 3.56Å; A366-N424 WeakPolarHBondContact CA-O 3.48Å; A366-Y425 HydrophobicContact CB-CD1 4.2Å; A366-Y425 HydrophobicContact CB-CE1 3.99Å; A366-V467 WeakPolarHBondContact O-CA 3.47Å; A366-R468 HydrophobicContact CB-CB 4.45Å; A366-R468 PolarHBondContact N-O 3.1Å; A366-R468 PolarHBondContact O-N 3.11Å
367	V	98.6	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	110.5	-179	179.1	0	0	0	0	108.6	V369 N424 I426 L442 V443 V446 V467	V367-V369 HydrophobicContact CG1-CG1 4.16Å; V367-N424 HydrophobicContact CB-CB 4.38Å; V367-N424 PolarHBondContact N-O 3.41Å; V367-N424 WeakPolarHBondContact O-CB 3.41Å; V367-N424 PolarHBondContact O-N 2.97Å; V367-N424 PolarHBondContact O-ND2 2.98Å; V367-I426 HydrophobicContact CG2-CG2 4.18Å; V367-L442 HydrophobicContact CG2-CB 4.12Å; V367-V443 HydrophobicContact CG1-CG2 3.98Å; V367-V446 HydrophobicContact CB-CG2 3.97Å; V367-V446 HydrophobicContact CG1-CB 4.18Å; V367-V446 HydrophobicContact CG1-CG1 4.21Å; V367-V446 HydrophobicContact CG1-CG2 4.09Å; V367-V446 HydrophobicContact CG2-CG2 4.08Å; V367-V467 HydrophobicContact CG1-CG2 4.41Å; V367-V467 HydrophobicContact CG2-CG1 4.3Å
368	T	98.8	Very high	98	Very high	2 Å²	2	33 Å²	33	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.4	-177.1	-57.7	0	0	0	0	109.8	W108 L421 L423 L465 G466	W108-T368 HydrophobicContact CB-CG2 3.7Å; W108-T368 VanDerWaalsContact CD1-OG1 3.27Å; W108-T368 HydrophobicContact CD2-CG2 4.17Å; W108-T368 HydrophobicContact CG-CG2 3.6Å; T368-L421 HydrophobicContact CG2-CD1 3.55Å; T368-L421 HydrophobicContact CG2-CG 4.39Å; T368-L423 HydrophobicContact CG2-CD1 4Å; T368-L423 HydrophobicContact CG2-CG 4.42Å; T368-L465 HydrophobicContact CG2-CB 3.89Å; T368-L465 HydrophobicContact CG2-CD1 4.04Å; T368-L465 PolarHBondContact O-N 3.08Å; T368-G466 PolarHBondContact N-O 3.24Å; T368-G466 PolarHBondContact O-N 2.93Å
369	V	98.9	Very high	98	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.3	-179.2	-68.7	0	0	0	0	111.3	V367 Y371 L422 N424 L450 P462 L463 V464	V367-V369 HydrophobicContact CG1-CG1 4.16Å; V369-Y371 HydrophobicContact CB-CE2 4.42Å; V369-Y371 HydrophobicContact CG2-CE2 3.85Å; V369-L422 HydrophobicContact CG2-CB 4.3Å; V369-L422 PolarHBondContact N-O 3.41Å; V369-L422 PolarHBondContact O-N 2.95Å; V369-N424 WeakPolarHBondContact CG2-ND2 3.38Å; V369-L450 HydrophobicContact CG2-CD1 4.13Å; V369-P462 HydrophobicContact CB-CB 3.7Å; V369-P462 HydrophobicContact CB-CG 4.46Å; V369-P462 HydrophobicContact CG1-CB 3.92Å; V369-P462 HydrophobicContact CG1-CG 4.22Å; V369-P462 HydrophobicContact CG2-CB 4.47Å; V369-L463 CarbonylContact C-O 3.59Å; V369-L463 WeakPolarHBondContact CA-O 3.45Å; V369-V464 HydrophobicContact CG1-CG2 4.48Å
370	S	98.8	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.4	175.8	-178.4	0	0	0	0	111.5	Y106 R419 V420 L463	Y106-S370 WeakPolarHBondContact CE1-OG 3.27Å; Y106-S370 PolarHBondContact OH-OG 3.11Å; S370-R419 PolarHBondContact O-NH1 3.07Å; S370-R419 PolarHBondContact OG-NH1 2.98Å; S370-V420 WeakPolarHBondContact CA-O 3.42Å; S370-V420 VanDerWaalsContact CB-O 3.31Å; S370-V420 WeakPolarHBondContact CB-O 3.26Å; S370-V420 PolarHBondContact OG-O 3.22Å; S370-L463 PolarHBondContact N-O 3.11Å; S370-L463 PolarHBondContact O-N 3.08Å
371	Y	98.8	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	154.9	173.6	-65.9	-89.3	0	0	0	110.9	V369 A375 R419 V420 L422 D447 L450 I455 P462	V369-Y371 HydrophobicContact CB-CE2 4.42Å; V369-Y371 HydrophobicContact CG2-CE2 3.85Å; Y371-A375 HydrophobicContact CD1-CB 4.1Å; Y371-A375 HydrophobicContact CG-CB 4.28Å; Y371-R419 CarbonylContact O-C 3.56Å; Y371-R419 WeakPolarHBondContact O-CA 3.46Å; Y371-V420 PolarHBondContact N-O 3Å; Y371-V420 WeakPolarHBondContact O-CG2 3.48Å; Y371-V420 PolarHBondContact O-N 2.66Å; Y371-L422 HydrophobicContact CD2-CD1 4Å; Y371-L422 HydrophobicContact CE2-CD1 4.15Å; Y371-D447 PolarHBondContact OH-OD1 3.16Å; Y371-L450 HydrophobicContact CE2-CD1 3.94Å; Y371-I455 HydrophobicContact CD1-CD1 4.25Å; Y371-I455 HydrophobicContact CD1-CG2 4.21Å; Y371-I455 HydrophobicContact CD2-CD1 3.71Å; Y371-I455 HydrophobicContact CD2-CG1 4.27Å; Y371-I455 HydrophobicContact CE1-CD1 4.49Å; Y371-I455 HydrophobicContact CE1-CG1 4.36Å; Y371-I455 HydrophobicContact CE1-CG2 4.02Å; Y371-I455 HydrophobicContact CE2-CD1 3.99Å; Y371-I455 HydrophobicContact CE2-CG1 4.04Å; Y371-I455 HydrophobicContact CG-CD1 3.85Å; Y371-P462 HydrophobicContact CD1-CB 4.3Å; Y371-P462 HydrophobicContact CE1-CB 3.68Å; Y371-P462 HydrophobicContact CE1-CG 4.06Å; Y371-P462 HydrophobicContact CE2-CB 3.95Å; Y371-P462 VanDerWaalsContact CZ-CB 3.46Å; Y371-P462 WeakPolarHBondContact OH-CB 3.34Å; Y371-P462 WeakPolarHBondContact OH-CD 3.44Å; Y371-P462 VanDerWaalsContact OH-CG 3.3Å; Y371-P462 WeakPolarHBondContact OH-CG 3.26Å
372	P	98.4	Very high	97.8	Very high	34 Å²	34	36.6 Å²	36.6	22%	0.221	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	147.7	159.3	-19	32.2	0	0	0	110.4	E374 A375 G418 V460	P372-E374 VanDerWaalsContact CB-OE2 3.23Å; P372-E374 WeakPolarHBondContact CB-OE2 3.5Å; P372-E374 PolarHBondContact O-N 2.92Å; P372-A375 WeakPolarHBondContact O-CB 3.37Å; P372-A375 PolarHBondContact O-N 3.4Å; P372-G418 WeakPolarHBondContact CA-O 3.06Å; P372-V460 HydrophobicContact CG-CG2 3.89Å
373	K	97.8	Very high	97.6	Very high	67 Å²	67	43.6 Å²	43.6	29%	0.291	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-57.6	-32.8	178.8	-77	-178.6	177	-159.2	0	112.3	A375 I376 E385 G418 V420	K373-A375 PolarHBondContact O-N 2.97Å; K373-I376 WeakPolarHBondContact O-CB 3.29Å; K373-I376 WeakPolarHBondContact O-CG1 3.47Å; K373-I376 PolarHBondContact O-N 3.32Å; K373-I376 VanDerWaalsContact O-N 3.13Å; K373-E385 WeakPolarHBondContact CD-OE2 3.13Å; K373-E385 VanDerWaalsContact CE-OE2 3.26Å; K373-E385 WeakPolarHBondContact CE-OE2 3.39Å; K373-E385 IonicContact NZ-OE1 2.7Å; K373-E385 PolarHBondContact NZ-OE1 3.47Å; K373-E385 IonicContact NZ-OE2 3.95Å; K373-E385 PolarHBondContact NZ-OE2 2.94Å; K373-G418 PolarHBondContact N-O 3.34Å; K373-V420 HydrophobicContact CG-CG1 4Å
374	E	97.6	Very high	97.5	Very high	141 Å²	141	45.7 Å²	45.7	66%	0.659	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-68.7	-15.7	179.9	-54.7	71.3	-153.2	0	0	112.7	P372 I376 N456	P372-E374 VanDerWaalsContact CB-OE2 3.23Å; P372-E374 WeakPolarHBondContact CB-OE2 3.5Å; P372-E374 PolarHBondContact O-N 2.92Å; E374-I376 VanDerWaalsContact C-N 3.25Å; E374-I376 PolarHBondContact O-N 3.08Å; E374-N456 PolarHBondContact O-ND2 2.89Å
375	A	98.4	Very high	97.3	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.041	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-72.3	-20.3	174	0	0	0	0	0	112.5	Y371 P372 K373 I455 N456 A459	Y371-A375 HydrophobicContact CD1-CB 4.1Å; Y371-A375 HydrophobicContact CG-CB 4.28Å; P372-A375 WeakPolarHBondContact O-CB 3.37Å; P372-A375 PolarHBondContact O-N 3.4Å; K373-A375 PolarHBondContact O-N 2.97Å; A375-I455 HydrophobicContact CB-CG2 4.38Å; A375-N456 WeakPolarHBondContact O-CB 3.42Å; A375-N456 PolarHBondContact O-N 3.38Å; A375-N456 PolarHBondContact O-ND2 3.41Å; A375-A459 HydrophobicContact CB-CB 3.65Å
376	I	98.4	Very high	97.3	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-72.1	138.5	179	-54.1	-53.2	0	0	0	110	K373 E374 C380 L381 L386 V420 L454 I455 N456	K373-I376 WeakPolarHBondContact O-CB 3.29Å; K373-I376 WeakPolarHBondContact O-CG1 3.47Å; K373-I376 PolarHBondContact O-N 3.32Å; K373-I376 VanDerWaalsContact O-N 3.13Å; E374-I376 VanDerWaalsContact C-N 3.25Å; E374-I376 PolarHBondContact O-N 3.08Å; I376-C380 HydrophobicContact CG2-CB 4.13Å; I376-L381 HydrophobicContact CB-CD2 3.99Å; I376-L381 HydrophobicContact CG2-CD2 3.59Å; I376-L381 HydrophobicContact CG2-CG 4.32Å; I376-L386 HydrophobicContact CD1-CD2 4.09Å; I376-L386 HydrophobicContact CG1-CB 4.45Å; I376-L386 HydrophobicContact CG1-CD2 4.43Å; I376-L386 HydrophobicContact CG2-CD1 4.43Å; I376-V420 HydrophobicContact CD1-CG2 3.95Å; I376-V420 HydrophobicContact CG1-CG1 4.36Å; I376-V420 HydrophobicContact CG1-CG2 4.38Å; I376-L454 HydrophobicContact CD1-CG 4.27Å; I376-L454 HydrophobicContact CG2-CD1 4.09Å; I376-I455 HydrophobicContact CD1-CD1 3.47Å; I376-I455 VanDerWaalsContact CD1-CD1 3.47Å; I376-N456 PolarHBondContact O-ND2 3.5Å
377	R	97.9	Very high	97.2	Very high	38 Å²	38	52.6 Å²	52.6	14%	0.143	27%	0.27	C	S	.	.			trans	-62.8	135.5	173.8	-70.7	174.8	180	-155.6	1.2	110.9	E379 C380 R451 K452 L454 I455 N456	R377-E379 VanDerWaalsContact C-N 3.26Å; R377-E379 HydrophobicContact CB-CG 4.46Å; R377-E379 PolarHBondContact O-N 3.14Å; R377-C380 HydrophobicContact CB-CB 4.46Å; R377-C380 WeakPolarHBondContact O-CB 3.04Å; R377-C380 PolarHBondContact O-N 2.91Å; R377-R451 PolarHBondContact NH2-O 3.48Å; R377-K452 PolarHBondContact NH1-O 3.39Å; R377-K452 PolarHBondContact NH2-O 3.24Å; R377-L454 WeakPolarHBondContact CG-O 3.17Å; R377-L454 PolarHBondContact N-O 3.19Å; R377-I455 PolarHBondContact NE-O 3Å; R377-N456 WeakPolarHBondContact CG-OD1 3.5Å
378	K	96.9	Very high	97.1	Very high	177 Å²	177	52.7 Å²	52.7	77%	0.77	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-60.1	-36.1	-174	-70.7	-175.3	177.3	-177.8	0	112.6	C380 L381	K378-C380 PolarHBondContact O-N 3.21Å; K378-L381 WeakPolarHBondContact O-CB 3.45Å; K378-L381 PolarHBondContact O-N 3.04Å
379	E	95.5	Very high	96.9	Very high	139 Å²	139	54.8 Å²	54.8	65%	0.65	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.4	177.9	67.4	-87.5	-157.9	0	0	114.2	R377	R377-E379 VanDerWaalsContact C-N 3.26Å; R377-E379 HydrophobicContact CB-CG 4.46Å; R377-E379 PolarHBondContact O-N 3.14Å
380	C	97	Very high	96.9	Very high	23 Å²	23	54.8 Å²	54.8	16%	0.155	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-93.8	-4.2	175.5	-59.6	0	0	0	0	112.9	I376 R377 K378 M453 L454	I376-C380 HydrophobicContact CG2-CB 4.13Å; R377-C380 HydrophobicContact CB-CB 4.46Å; R377-C380 WeakPolarHBondContact O-CB 3.04Å; R377-C380 PolarHBondContact O-N 2.91Å; K378-C380 PolarHBondContact O-N 3.21Å; C380-M453 PolarHBondContact SG-O 2.91Å; C380-M453 VanDerWaalsContact SG-O 3.41Å; C380-L454 HydrophobicContact CB-CD1 3.92Å
381	L	97.1	Very high	96.8	Very high	55 Å²	55	55 Å²	55	29%	0.288	28%	0.281	S	S	.	.			trans	-85.6	139.1	-179.8	-58.2	176.4	0	0	0	110.7	I376 K378 E385	I376-L381 HydrophobicContact CB-CD2 3.99Å; I376-L381 HydrophobicContact CG2-CD2 3.59Å; I376-L381 HydrophobicContact CG2-CG 4.32Å; K378-L381 WeakPolarHBondContact O-CB 3.45Å; K378-L381 PolarHBondContact O-N 3.04Å; L381-E385 CarbonylContact C-O 3.58Å; L381-E385 WeakPolarHBondContact CA-O 3.33Å
382	I	94.9	Very high	96.8	Very high	59 Å²	59	57 Å²	57	30%	0.303	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-115.4	122.6	169.3	-58.8	172.1	0	0	0	105.9	P142 F144 G384 E385 Q387	P142-I382 HydrophobicContact CG-CD1 3.91Å; F144-I382 HydrophobicContact CZ-CD1 4.21Å; I382-G384 PolarHBondContact O-N 3.13Å; I382-E385 PolarHBondContact N-O 3.47Å; I382-E385 PolarHBondContact O-N 3.47Å; I382-E385 VanDerWaalsContact O-N 3.08Å; I382-Q387 HydrophobicContact CB-CB 4.04Å; I382-Q387 HydrophobicContact CB-CG 4.07Å; I382-Q387 HydrophobicContact CD1-CB 4.21Å; I382-Q387 VanDerWaalsContact CG2-OE1 3.24Å; I382-Q387 PolarHBondContact O-NE2 3.07Å
383	D	93.5	Very high	96.7	Very high	147 Å²	147	55.4 Å²	55.4	79%	0.786	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.9	-174	-54.4	-37.8	0	0	0	113.4	E385	D383-E385 VanDerWaalsContact C-N 3.28Å; D383-E385 PolarHBondContact O-N 3.25Å
384	G	95	Very high	96.6	Very high	56 Å²	56	52.2 Å²	52.2	58%	0.577	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	1.9	178.4	0	0	0	0	0	115.3	I382	I382-G384 PolarHBondContact O-N 3.13Å
385	E	95.4	Very high	96.3	Very high	79 Å²	79	48.2 Å²	48.2	37%	0.369	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-128.1	156.1	-176.8	-68.8	-71.1	175.2	0	0	111.7	K373 L381 I382 D383 Q387	K373-E385 WeakPolarHBondContact CD-OE2 3.13Å; K373-E385 VanDerWaalsContact CE-OE2 3.26Å; K373-E385 WeakPolarHBondContact CE-OE2 3.39Å; K373-E385 IonicContact NZ-OE1 2.7Å; K373-E385 PolarHBondContact NZ-OE1 3.47Å; K373-E385 IonicContact NZ-OE2 3.95Å; K373-E385 PolarHBondContact NZ-OE2 2.94Å; L381-E385 CarbonylContact C-O 3.58Å; L381-E385 WeakPolarHBondContact CA-O 3.33Å; I382-E385 PolarHBondContact N-O 3.47Å; I382-E385 PolarHBondContact O-N 3.47Å; I382-E385 VanDerWaalsContact O-N 3.08Å; D383-E385 VanDerWaalsContact C-N 3.28Å; D383-E385 PolarHBondContact O-N 3.25Å; E385-Q387 HydrophobicContact CB-CG 4.41Å; E385-Q387 PolarHBondContact O-N 3.45Å; E385-Q387 VanDerWaalsContact O-N 3.12Å
386	L	97.3	Very high	96.1	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.073	27%	0.27	C	S	.	.			trans	-74.6	103.1	170.3	179.9	61.4	0	0	0	109.2	I376 Y406 S409 V420 L422 L454	I376-L386 HydrophobicContact CD1-CD2 4.09Å; I376-L386 HydrophobicContact CG1-CB 4.45Å; I376-L386 HydrophobicContact CG1-CD2 4.43Å; I376-L386 HydrophobicContact CG2-CD1 4.43Å; L386-Y406 HydrophobicContact CD1-CD2 4.03Å; L386-Y406 HydrophobicContact CD1-CE2 3.71Å; L386-Y406 HydrophobicContact CD2-CD1 4.22Å; L386-Y406 HydrophobicContact CD2-CD2 4.2Å; L386-Y406 HydrophobicContact CD2-CE1 4.46Å; L386-Y406 HydrophobicContact CD2-CE2 4.44Å; L386-Y406 HydrophobicContact CD2-CG 4.09Å; L386-Y406 HydrophobicContact CG-CD2 3.95Å; L386-Y406 HydrophobicContact CG-CE2 4.15Å; L386-Y406 HydrophobicContact CG-CG 4.32Å; L386-S409 WeakPolarHBondContact O-CB 3.47Å; L386-S409 PolarHBondContact O-OG 3.46Å; L386-V420 HydrophobicContact CB-CG1 4.49Å; L386-V420 HydrophobicContact CD2-CG1 4.49Å; L386-L422 HydrophobicContact CD2-CD2 4.11Å; L386-L454 HydrophobicContact CD1-CD1 3.77Å; L386-L454 HydrophobicContact CD2-CD1 4.39Å; L386-L454 HydrophobicContact CD2-CD2 4.35Å
387	Q	96.2	Very high	96	Very high	63 Å²	63	53.7 Å²	53.7	29%	0.294	28%	0.279	S	S	.	.			trans	-107.6	132.4	177.7	-58.3	-175	-0.6	0	0	111	F144 I382 E385 S409	F144-Q387 WeakPolarHBondContact CE2-O 3.47Å; I382-Q387 HydrophobicContact CB-CB 4.04Å; I382-Q387 HydrophobicContact CB-CG 4.07Å; I382-Q387 HydrophobicContact CD1-CB 4.21Å; I382-Q387 VanDerWaalsContact CG2-OE1 3.24Å; I382-Q387 PolarHBondContact O-NE2 3.07Å; E385-Q387 HydrophobicContact CB-CG 4.41Å; E385-Q387 PolarHBondContact O-N 3.45Å; E385-Q387 VanDerWaalsContact O-N 3.12Å; Q387-S409 WeakPolarHBondContact CA-OG 3.41Å
388	G	95.8	Very high	95.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	30%	0.298	C	S	.	.	S	Bend	trans	156	165.6	173.3	0	0	0	0	0	114.1	P142 G390 S409	P142-G388 CarbonylContact O-C 3.34Å; P142-G388 VanDerWaalsContact O-CA 3.28Å; P142-G388 WeakPolarHBondContact O-CA 3.4Å; G388-G390 VanDerWaalsContact C-N 3.33Å; G388-S409 PolarHBondContact N-OG 3.18Å; G388-S409 VanDerWaalsContact N-OG 3.13Å; G388-S409 PolarHBondContact O-OG 3.08Å
389	F	96	Very high	95.7	Very high	46 Å²	46	46.4 Å²	46.4	20%	0.202	26%	0.264	C	S	.	.	S	Bend	trans	-68.4	-40.6	166.4	179.9	-83.4	0	0	0	110.7	P142 R143 V275 I405 Y406 L410	P142-F389 PolarHBondContact O-N 3.26Å; R143-F389 HydrophobicContact CG-CB 3.7Å; R143-F389 HydrophobicContact CG-CD1 4.14Å; R143-F389 HydrophobicContact CG-CG 4.01Å; V275-F389 HydrophobicContact CB-CE2 4.47Å; V275-F389 HydrophobicContact CG1-CD2 4.47Å; V275-F389 HydrophobicContact CG1-CE2 3.78Å; V275-F389 HydrophobicContact CG2-CD2 4.23Å; V275-F389 HydrophobicContact CG2-CE2 3.94Å; F389-I405 HydrophobicContact CE1-CG1 4.39Å; F389-Y406 PolarHBondContact O-N 2.73Å; F389-L410 HydrophobicContact CB-CD2 4.16Å; F389-L410 HydrophobicContact CD2-CD1 3.69Å; F389-L410 HydrophobicContact CD2-CD2 3.88Å; F389-L410 HydrophobicContact CD2-CG 4.38Å; F389-L410 HydrophobicContact CE2-CD1 3.95Å; F389-L410 HydrophobicContact CG-CD1 4.12Å; F389-L410 HydrophobicContact CG-CD2 4.38Å
390	G	97.3	Very high	95.7	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.8	-165.4	-172.2	0	0	0	0	0	111.7	F144 G388 T404	F144-G390 PolarHBondContact N-O 2.8Å; G388-G390 VanDerWaalsContact C-N 3.33Å; G390-T404 CarbonylContact C-O 3.6Å; G390-T404 WeakPolarHBondContact CA-O 3.32Å
391	Q	97.7	Very high	95.8	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.3	-173.9	57.8	-173.5	48.5	0	0	111.7	F144 L151 H393 G403 T404 Y406	F144-Q391 HydrophobicContact CB-CB 4.01Å; F144-Q391 CarbonylContact O-C 3.54Å; F144-Q391 VanDerWaalsContact O-CA 3.25Å; F144-Q391 WeakPolarHBondContact O-CA 3.32Å; L151-Q391 HydrophobicContact CD2-CB 3.84Å; L151-Q391 HydrophobicContact CD2-CG 4.32Å; Q391-H393 WeakPolarHBondContact CG-NE2 3.41Å; Q391-H393 PolarHBondContact NE2-NE2 3.28Å; Q391-G403 CarbonylContact O-C 3.59Å; Q391-G403 WeakPolarHBondContact O-CA 3.26Å; Q391-T404 PolarHBondContact N-O 3.05Å; Q391-T404 PolarHBondContact O-N 2.91Å; Q391-Y406 HydrophobicContact CG-CE1 4.09Å; Q391-Y406 PolarHBondContact OE1-OH 2.91Å
392	L	98.1	Very high	95.8	Very high	44 Å²	44	38 Å²	38	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149	173.5	-61.9	171.1	0	0	0	109.8	F144 V145 L146 P212 F213	F144-L392 PolarHBondContact O-N 2.8Å; V145-L392 WeakPolarHBondContact CA-O 3.48Å; L146-L392 PolarHBondContact N-O 2.72Å; P212-L392 HydrophobicContact CB-CB 3.77Å; F213-L392 HydrophobicContact CB-CD1 4.49Å
393	H	96.8	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.			trans	-120.7	113.6	-174.3	-41.1	129.6	0	0	0	109.9	Q391 R395 V399 T401 L402	Q391-H393 WeakPolarHBondContact CG-NE2 3.41Å; Q391-H393 PolarHBondContact NE2-NE2 3.28Å; H393-R395 PolarHBondContact O-NE 2.71Å; H393-R395 PolarHBondContact O-NH2 3.49Å; H393-V399 HydrophobicContact CB-CB 4.14Å; H393-V399 HydrophobicContact CB-CG1 3.92Å; H393-T401 PolarHBondContact ND1-O 3.24Å; H393-L402 PolarHBondContact N-O 3.1Å
394	P	95.4	Very high	96.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.172	C	C	.	.			trans	-60.9	142.8	169.2	-15.6	27.9	0	0	0	109.7	V145 L146 W147 P212 S396 Q397	V145-P394 HydrophobicContact CG1-CG 3.77Å; L146-P394 WeakPolarHBondContact O-CD 3.49Å; L146-P394 WeakPolarHBondContact O-CG 3.24Å; W147-P394 HydrophobicContact CE3-CG 4.18Å; W147-P394 HydrophobicContact CZ3-CG 4.41Å; P212-P394 HydrophobicContact CB-CG 4.11Å; P212-P394 HydrophobicContact CG-CG 4.05Å; P394-S396 PolarHBondContact O-N 3.19Å; P394-Q397 HydrophobicContact CB-CG 4.01Å; P394-Q397 HydrophobicContact CG-CG 3.98Å; P394-Q397 WeakPolarHBondContact O-CB 3.37Å; P394-Q397 PolarHBondContact O-N 2.99Å; P394-Q397 VanDerWaalsContact O-N 3.09Å
395	R	92.4	Very high	96.3	Very high	57 Å²	57	26.9 Å²	26.9	22%	0.215	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-64.6	-30.7	-176.1	-59.4	-61.4	82.9	-166.8	-0.4	111.6	E211 H393 Q397 G398 V399 E400 T401	E211-R395 WeakPolarHBondContact OE1-CB 3.38Å; E211-R395 WeakPolarHBondContact OE1-CG 3.33Å; E211-R395 PolarHBondContact OE1-N 2.9Å; H393-R395 PolarHBondContact O-NE 2.71Å; H393-R395 PolarHBondContact O-NH2 3.49Å; R395-Q397 PolarHBondContact O-N 3.3Å; R395-Q397 VanDerWaalsContact O-N 3.09Å; R395-G398 PolarHBondContact O-N 3.38Å; R395-V399 PolarHBondContact NH1-O 2.95Å; R395-V399 VanDerWaalsContact NH1-O 3.12Å; R395-E400 PolarHBondContact NH1-O 3.23Å; R395-T401 PolarHBondContact NH2-O 3.16Å
396	S	93.6	Very high	96.5	Very high	77 Å²	77	23.2 Å²	23.2	54%	0.538	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-58.9	-17.4	174.9	61.3	0	0	0	0	114.4	P394 G398	P394-S396 PolarHBondContact O-N 3.19Å; S396-G398 VanDerWaalsContact C-N 3.3Å; S396-G398 PolarHBondContact O-N 3.25Å
397	Q	95.4	Very high	96.5	Very high	48 Å²	48	22.6 Å²	22.6	22%	0.224	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-87.2	7.5	-177.8	-55.8	-58.7	-67.8	0	0	113.8	L146 W147 P394 R395 V399	L146-Q397 HydrophobicContact CD2-CB 3.77Å; L146-Q397 HydrophobicContact CD2-CG 4.43Å; L146-Q397 HydrophobicContact CG-CB 4.18Å; L146-Q397 HydrophobicContact CG-CG 4.34Å; L146-Q397 WeakPolarHBondContact O-CG 3.45Å; W147-Q397 HydrophobicContact CE3-CG 4.37Å; P394-Q397 HydrophobicContact CB-CG 4.01Å; P394-Q397 HydrophobicContact CG-CG 3.98Å; P394-Q397 WeakPolarHBondContact O-CB 3.37Å; P394-Q397 PolarHBondContact O-N 2.99Å; P394-Q397 VanDerWaalsContact O-N 3.09Å; R395-Q397 PolarHBondContact O-N 3.3Å; R395-Q397 VanDerWaalsContact O-N 3.09Å; Q397-V399 VanDerWaalsContact C-N 3.33Å; Q397-V399 PolarHBondContact O-N 2.92Å
398	G	93.3	Very high	96.5	Very high	53 Å²	53	21.1 Å²	21.1	55%	0.546	13%	0.127	S	C	.	.	S	Bend	trans	66.8	33.4	174.4	0	0	0	0	0	113.7	R395 S396 K452	R395-G398 PolarHBondContact O-N 3.38Å; S396-G398 VanDerWaalsContact C-N 3.3Å; S396-G398 PolarHBondContact O-N 3.25Å; G398-K452 PolarHBondContact O-NZ 2.66Å
399	V	95.7	Very high	96.6	Very high	8 Å²	8	23 Å²	23	5%	0.048	14%	0.139	C	C	.	.			trans	-117.5	131.7	178.6	173.5	0	0	0	0	109.1	L146 H393 R395 Q397 D449 K452 M453	L146-V399 HydrophobicContact CD2-CB 4.35Å; L146-V399 HydrophobicContact CD2-CG2 3.45Å; L146-V399 VanDerWaalsContact CD2-CG2 3.45Å; H393-V399 HydrophobicContact CB-CB 4.14Å; H393-V399 HydrophobicContact CB-CG1 3.92Å; R395-V399 PolarHBondContact NH1-O 2.95Å; R395-V399 VanDerWaalsContact NH1-O 3.12Å; Q397-V399 VanDerWaalsContact C-N 3.33Å; Q397-V399 PolarHBondContact O-N 2.92Å; V399-D449 HydrophobicContact CG1-CB 3.82Å; V399-D449 WeakPolarHBondContact CG1-OD2 3.43Å; V399-K452 HydrophobicContact CG2-CD 4.13Å; V399-M453 HydrophobicContact CG1-CE 4.28Å; V399-M453 HydrophobicContact CG2-SD 4.35Å
400	E	96.3	Very high	96.6	Very high	37 Å²	37	21.1 Å²	21.1	17%	0.173	13%	0.131	C	C	.	.			trans	-81.4	-39.8	-177.2	-163.7	-179.7	167.2	0	0	111.1	R395 I426 N431 K437 R448 D449	R395-E400 PolarHBondContact NH1-O 3.23Å; E400-I426 HydrophobicContact CB-CD1 4.15Å; E400-I426 HydrophobicContact CG-CD1 3.85Å; E400-I426 HydrophobicContact CG-CG1 4.19Å; E400-N431 VanDerWaalsContact CG-ND2 3.29Å; E400-N431 WeakPolarHBondContact CG-ND2 3.39Å; E400-N431 PolarHBondContact OE1-ND2 2.93Å; E400-K437 IonicContact OE1-NZ 2.68Å; E400-K437 PolarHBondContact OE1-NZ 3.15Å; E400-K437 IonicContact OE2-NZ 2.8Å; E400-K437 PolarHBondContact OE2-NZ 3.17Å; E400-R448 IonicContact OE2-CZ 3.1Å; E400-R448 IonicContact OE2-NH2 3.85Å; E400-R448 PolarHBondContact OE2-NH2 3.14Å; E400-D449 WeakPolarHBondContact CA-OD2 3.48Å; E400-D449 WeakPolarHBondContact CB-OD2 3.27Å; E400-D449 PolarHBondContact N-OD2 3.27Å
401	T	97.9	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.3	176.2	-54.9	0	0	0	0	111.1	H393 R395 N424 Y425 V446 D449	H393-T401 PolarHBondContact ND1-O 3.24Å; R395-T401 PolarHBondContact NH2-O 3.16Å; T401-N424 HydrophobicContact CG2-CB 4.06Å; T401-Y425 WeakPolarHBondContact CG2-O 3.43Å; T401-V446 HydrophobicContact CG2-CG2 4.49Å; T401-D449 PolarHBondContact N-OD2 2.75Å; T401-D449 PolarHBondContact OG1-OD2 3.31Å; T401-D449 VanDerWaalsContact OG1-OD2 3.08Å
402	L	97.7	Very high	96.4	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-43.7	-179.6	-61.1	168.8	0	0	0	112.2	A219 H393 Y425	A219-L402 HydrophobicContact CB-CD1 3.63Å; H393-L402 PolarHBondContact N-O 3.1Å; L402-Y425 WeakPolarHBondContact CA-O 3.37Å; L402-Y425 VanDerWaalsContact CB-O 3.27Å; L402-Y425 WeakPolarHBondContact CB-O 3.4Å; L402-Y425 PolarHBondContact N-O 2.79Å
403	G	98	Very high	96.3	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	168	-179.7	0	0	0	0	0	111.7	Q391 Y425	Q391-G403 CarbonylContact O-C 3.59Å; Q391-G403 WeakPolarHBondContact O-CA 3.26Å; G403-Y425 PolarHBondContact O-N 3.26Å
404	T	98.5	Very high	96.3	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.3	-178	-55.8	0	0	0	0	109.3	G390 Q391 Y406 L422 L423 N424 L450	G390-T404 CarbonylContact C-O 3.6Å; G390-T404 WeakPolarHBondContact CA-O 3.32Å; Q391-T404 PolarHBondContact N-O 3.05Å; Q391-T404 PolarHBondContact O-N 2.91Å; T404-Y406 HydrophobicContact CG2-CD1 4.16Å; T404-Y406 HydrophobicContact CG2-CE1 4.14Å; T404-L422 HydrophobicContact CG2-CB 3.82Å; T404-L422 HydrophobicContact CG2-CD1 4.43Å; T404-L422 HydrophobicContact CG2-CD2 4.12Å; T404-L422 HydrophobicContact CG2-CG 4.35Å; T404-L423 CarbonylContact C-O 3.42Å; T404-L423 WeakPolarHBondContact CA-O 3.27Å; T404-N424 WeakPolarHBondContact CB-OD1 3.4Å; T404-N424 WeakPolarHBondContact CG2-OD1 3.47Å; T404-N424 PolarHBondContact OG1-OD1 2.91Å; T404-L450 HydrophobicContact CG2-CD2 4.19Å
405	I	98.1	Very high	96.5	Very high	22 Å²	22	29.7 Å²	29.7	11%	0.113	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133	172.2	-61.3	-179.7	0	0	0	109.1	N113 F389 S407 L410 L422 L423 Y425	N113-I405 HydrophobicContact CB-CD1 3.52Å; F389-I405 HydrophobicContact CE1-CG1 4.39Å; I405-S407 VanDerWaalsContact C-N 3.32Å; I405-S407 PolarHBondContact O-N 3.16Å; I405-S407 VanDerWaalsContact O-N 3.13Å; I405-L410 HydrophobicContact CG2-CD1 3.7Å; I405-L422 WeakPolarHBondContact O-CA 3.4Å; I405-L423 HydrophobicContact CB-CB 4.35Å; I405-L423 PolarHBondContact N-O 2.98Å; I405-L423 PolarHBondContact O-N 3.06Å; I405-Y425 HydrophobicContact CD1-CE2 3.82Å; I405-Y425 HydrophobicContact CG1-CE2 4.29Å
406	Y	98.1	Very high	96.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	72.2	177	-52.7	-19.1	0	0	0	109.5	F144 L386 F389 Q391 T404 S408 S409 L410 L422 L454	F144-Y406 HydrophobicContact CD2-CE2 4.05Å; F144-Y406 HydrophobicContact CE2-CE2 4.1Å; L386-Y406 HydrophobicContact CD1-CD2 4.03Å; L386-Y406 HydrophobicContact CD1-CE2 3.71Å; L386-Y406 HydrophobicContact CD2-CD1 4.22Å; L386-Y406 HydrophobicContact CD2-CD2 4.2Å; L386-Y406 HydrophobicContact CD2-CE1 4.46Å; L386-Y406 HydrophobicContact CD2-CE2 4.44Å; L386-Y406 HydrophobicContact CD2-CG 4.09Å; L386-Y406 HydrophobicContact CG-CD2 3.95Å; L386-Y406 HydrophobicContact CG-CE2 4.15Å; L386-Y406 HydrophobicContact CG-CG 4.32Å; F389-Y406 PolarHBondContact O-N 2.73Å; Q391-Y406 HydrophobicContact CG-CE1 4.09Å; Q391-Y406 PolarHBondContact OE1-OH 2.91Å; T404-Y406 HydrophobicContact CG2-CD1 4.16Å; T404-Y406 HydrophobicContact CG2-CE1 4.14Å; Y406-S408 VanDerWaalsContact C-N 3.33Å; Y406-S408 PolarHBondContact O-N 3.11Å; Y406-S409 WeakPolarHBondContact O-CA 3.48Å; Y406-S409 VanDerWaalsContact O-CB 3.27Å; Y406-S409 WeakPolarHBondContact O-CB 3.32Å; Y406-S409 PolarHBondContact O-N 2.82Å; Y406-L410 PolarHBondContact O-N 2.9Å; Y406-L422 HydrophobicContact CD1-CD2 3.63Å; Y406-L422 HydrophobicContact CE1-CD2 4.29Å; Y406-L422 HydrophobicContact CG-CD2 4.41Å; Y406-L454 HydrophobicContact CE1-CD2 3.78Å
407	S	97.5	Very high	96.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-42	-168.9	-179.7	0	0	0	0	113.3	I405 S409 L410 F411 L421	I405-S407 VanDerWaalsContact C-N 3.32Å; I405-S407 PolarHBondContact O-N 3.16Å; I405-S407 VanDerWaalsContact O-N 3.13Å; S407-S409 VanDerWaalsContact C-N 3.26Å; S407-S409 PolarHBondContact O-N 2.95Å; S407-L410 PolarHBondContact O-N 3.44Å; S407-F411 PolarHBondContact O-N 3.47Å; S407-L421 PolarHBondContact N-O 2.88Å; S407-L421 VanDerWaalsContact N-O 3.07Å
408	S	97.6	Very high	96.9	Very high	33 Å²	33	29.7 Å²	29.7	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-73.8	-14.4	176.7	62.2	0	0	0	0	114.5	Y406 V420 L421	Y406-S408 VanDerWaalsContact C-N 3.33Å; Y406-S408 PolarHBondContact O-N 3.11Å; S408-V420 WeakPolarHBondContact OG-CA 3.48Å; S408-L421 PolarHBondContact OG-N 2.9Å
409	S	96.9	Very high	97.2	Very high	39 Å²	39	30 Å²	30	27%	0.273	19%	0.192	S	C	.	.	H	α-helix	trans	-83.4	-41.8	171.9	-166.2	0	0	0	0	110.5	L386 Q387 G388 Y406 S407	L386-S409 WeakPolarHBondContact O-CB 3.47Å; L386-S409 PolarHBondContact O-OG 3.46Å; Q387-S409 WeakPolarHBondContact CA-OG 3.41Å; G388-S409 PolarHBondContact N-OG 3.18Å; G388-S409 VanDerWaalsContact N-OG 3.13Å; G388-S409 PolarHBondContact O-OG 3.08Å; Y406-S409 WeakPolarHBondContact O-CA 3.48Å; Y406-S409 VanDerWaalsContact O-CB 3.27Å; Y406-S409 WeakPolarHBondContact O-CB 3.32Å; Y406-S409 PolarHBondContact O-N 2.82Å; S407-S409 VanDerWaalsContact C-N 3.26Å; S407-S409 PolarHBondContact O-N 2.95Å
410	L	95.8	Very high	97.3	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-41.4	-179.7	-80.2	177.3	0	0	0	113.7	G137 A141 V275 F389 I405 Y406 S407	G137-L410 VanDerWaalsContact CA-O 3.31Å; G137-L410 WeakPolarHBondContact CA-O 3.46Å; A141-L410 HydrophobicContact CB-CD2 4.07Å; V275-L410 HydrophobicContact CG2-CD2 4.31Å; F389-L410 HydrophobicContact CB-CD2 4.16Å; F389-L410 HydrophobicContact CD2-CD1 3.69Å; F389-L410 HydrophobicContact CD2-CD2 3.88Å; F389-L410 HydrophobicContact CD2-CG 4.38Å; F389-L410 HydrophobicContact CE2-CD1 3.95Å; F389-L410 HydrophobicContact CG-CD1 4.12Å; F389-L410 HydrophobicContact CG-CD2 4.38Å; I405-L410 HydrophobicContact CG2-CD1 3.7Å; Y406-L410 PolarHBondContact O-N 2.9Å; S407-L410 PolarHBondContact O-N 3.44Å
411	F	96.4	Very high	97.4	Very high	2 Å²	2	28 Å²	28	1%	0.009	18%	0.183	C	C	.	.	S	Bend	trans	-130.9	134.5	-173.3	-55.9	-66.3	0	0	0	110.6	V135 V275 S407 R414	V135-F411 HydrophobicContact CB-CD1 4.38Å; V135-F411 HydrophobicContact CG1-CD1 3.83Å; V275-F411 HydrophobicContact CG2-CE1 4.48Å; V275-F411 HydrophobicContact CG2-CZ 3.83Å; S407-F411 PolarHBondContact O-N 3.47Å; F411-R414 HydrophobicContact CB-CG 3.85Å; F411-R414 WeakPolarHBondContact O-CG 3.46Å
412	P	94.8	Very high	97.4	Very high	77 Å²	77	28 Å²	28	50%	0.5	18%	0.183	S	C	.	.	S	Bend	trans	-64.5	160.1	173.6	29.4	-36.4	0	0	0	111.1	V135 R414	V135-P412 HydrophobicContact CG1-CG 4.18Å; P412-R414 VanDerWaalsContact C-N 3.3Å; P412-R414 PolarHBondContact O-N 2.86Å
413	N	96	Very high	97.5	Very high	128 Å²	128	28 Å²	28	68%	0.684	18%	0.183	S	C	*	.	S	Bend	trans	57.9	38	173.9	-49.2	-48.4	0	0	0	113.8
414	R	97.6	Very high	97.5	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.015	18%	0.18	C	C	.	.	S	Bend	trans	-101.7	-23.3	170.8	-61.2	-60.8	-172.1	-122.5	12.3	113.2	Y106 L107 S277 F278 R279 F411 P412 L421	Y106-R414 WeakPolarHBondContact CA-O 3.26Å; L107-R414 PolarHBondContact N-O 3.36Å; L107-R414 WeakPolarHBondContact O-CD 3.49Å; S277-R414 PolarHBondContact OG-NH2 3.42Å; F278-R414 PolarHBondContact O-NH2 3.21Å; R279-R414 PolarHBondContact O-NH1 2.94Å; F411-R414 HydrophobicContact CB-CG 3.85Å; F411-R414 WeakPolarHBondContact O-CG 3.46Å; P412-R414 VanDerWaalsContact C-N 3.3Å; P412-R414 PolarHBondContact O-N 2.86Å; R414-L421 HydrophobicContact CB-CD2 3.96Å; R414-L421 WeakPolarHBondContact O-CD2 3.16Å
415	A	98.3	Very high	97.5	Very high	19 Å²	19	29.8 Å²	29.8	16%	0.157	19%	0.188	C	C	.	.	S	Bend	trans	-141.6	156.1	173.9	0	0	0	0	0	109.8	G105 Y106 R419 L421	G105-A415 CarbonylContact O-C 3.56Å; G105-A415 VanDerWaalsContact O-C 3.32Å; G105-A415 WeakPolarHBondContact O-CA 3.27Å; Y106-A415 HydrophobicContact CD1-CB 4.09Å; Y106-A415 HydrophobicContact CE1-CB 3.88Å; A415-R419 HydrophobicContact CB-CB 4.29Å; A415-L421 HydrophobicContact CB-CB 4.06Å
416	P	97.9	Very high	97.5	Very high	45 Å²	45	28.7 Å²	28.7	29%	0.292	18%	0.183	S	C	.	.			trans	-66.3	164.6	170.6	31	-36.5	0	0	0	111.3	E104 Y106 R419	E104-P416 WeakPolarHBondContact O-CD 3.47Å; E104-P416 VanDerWaalsContact O-CG 3.32Å; E104-P416 WeakPolarHBondContact O-CG 3.4Å; Y106-P416 VanDerWaalsContact CE1-CD 3.4Å; Y106-P416 HydrophobicContact CE1-CG 4.23Å; Y106-P416 HydrophobicContact CE2-CG 4.06Å; Y106-P416 VanDerWaalsContact CZ-CD 3.46Å; P416-R419 HydrophobicContact CG-CB 4.28Å; P416-R419 HydrophobicContact CG-CG 3.99Å; P416-R419 PolarHBondContact O-N 3.37Å
417	A	96.1	Very high	97.5	Very high	104 Å²	104	28.6 Å²	28.6	86%	0.86	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	147.7	176.3	0	0	0	0	0	111.9	R419	A417-R419 PolarHBondContact O-N 3.33Å
418	G	97	Very high	97.4	Very high	32 Å²	32	28.6 Å²	28.6	33%	0.33	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	1.3	-178.2	0	0	0	0	0	115	P372 K373	P372-G418 WeakPolarHBondContact CA-O 3.06Å; K373-G418 PolarHBondContact N-O 3.34Å
419	R	98.3	Very high	97.4	Very high	59 Å²	59	28.1 Å²	28.1	22%	0.223	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.5	-179.4	-60.9	-78.2	-114.5	131.7	3.8	111.6	Y106 S370 Y371 A415 P416 A417	Y106-R419 PolarHBondContact OH-NE 3.37Å; Y106-R419 PolarHBondContact OH-NH2 2.62Å; S370-R419 PolarHBondContact O-NH1 3.07Å; S370-R419 PolarHBondContact OG-NH1 2.98Å; Y371-R419 CarbonylContact O-C 3.56Å; Y371-R419 WeakPolarHBondContact O-CA 3.46Å; A415-R419 HydrophobicContact CB-CB 4.29Å; P416-R419 HydrophobicContact CG-CB 4.28Å; P416-R419 HydrophobicContact CG-CG 3.99Å; P416-R419 PolarHBondContact O-N 3.37Å; A417-R419 PolarHBondContact O-N 3.33Å
420	V	98.4	Very high	97.2	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.4	167.1	-62.8	0	0	0	0	109.5	S370 Y371 K373 I376 L386 S408	S370-V420 WeakPolarHBondContact CA-O 3.42Å; S370-V420 VanDerWaalsContact CB-O 3.31Å; S370-V420 WeakPolarHBondContact CB-O 3.26Å; S370-V420 PolarHBondContact OG-O 3.22Å; Y371-V420 PolarHBondContact N-O 3Å; Y371-V420 WeakPolarHBondContact O-CG2 3.48Å; Y371-V420 PolarHBondContact O-N 2.66Å; K373-V420 HydrophobicContact CG-CG1 4Å; I376-V420 HydrophobicContact CD1-CG2 3.95Å; I376-V420 HydrophobicContact CG1-CG1 4.36Å; I376-V420 HydrophobicContact CG1-CG2 4.38Å; L386-V420 HydrophobicContact CB-CG1 4.49Å; L386-V420 HydrophobicContact CD2-CG1 4.49Å; S408-V420 WeakPolarHBondContact OG-CA 3.48Å
421	L	98.8	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.4	175.2	-178.3	69.3	0	0	0	110.1	Y106 L107 W108 T368 S407 S408 R414 A415 L423 L465	Y106-L421 HydrophobicContact CD1-CD1 4.4Å; L107-L421 VanDerWaalsContact O-CD2 3.29Å; L107-L421 WeakPolarHBondContact O-CD2 3.23Å; W108-L421 HydrophobicContact CB-CD2 4Å; T368-L421 HydrophobicContact CG2-CD1 3.55Å; T368-L421 HydrophobicContact CG2-CG 4.39Å; S407-L421 PolarHBondContact N-O 2.88Å; S407-L421 VanDerWaalsContact N-O 3.07Å; S408-L421 PolarHBondContact OG-N 2.9Å; R414-L421 HydrophobicContact CB-CD2 3.96Å; R414-L421 WeakPolarHBondContact O-CD2 3.16Å; A415-L421 HydrophobicContact CB-CB 4.06Å; L421-L423 HydrophobicContact CD1-CD1 4.45Å; L421-L423 HydrophobicContact CD2-CD1 3.95Å; L421-L423 HydrophobicContact CG-CD1 3.79Å; L421-L465 HydrophobicContact CD1-CD1 3.19Å
422	L	98.8	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125	-178.1	-56.2	-178.6	0	0	0	109.7	V369 Y371 L386 T404 I405 Y406 N424 L450 L454 I455	V369-L422 HydrophobicContact CG2-CB 4.3Å; V369-L422 PolarHBondContact N-O 3.41Å; V369-L422 PolarHBondContact O-N 2.95Å; Y371-L422 HydrophobicContact CD2-CD1 4Å; Y371-L422 HydrophobicContact CE2-CD1 4.15Å; L386-L422 HydrophobicContact CD2-CD2 4.11Å; T404-L422 HydrophobicContact CG2-CB 3.82Å; T404-L422 HydrophobicContact CG2-CD1 4.43Å; T404-L422 HydrophobicContact CG2-CD2 4.12Å; T404-L422 HydrophobicContact CG2-CG 4.35Å; I405-L422 WeakPolarHBondContact O-CA 3.4Å; Y406-L422 HydrophobicContact CD1-CD2 3.63Å; Y406-L422 HydrophobicContact CE1-CD2 4.29Å; Y406-L422 HydrophobicContact CG-CD2 4.41Å; L422-N424 PolarHBondContact O-ND2 2.93Å; L422-L450 HydrophobicContact CD1-CD1 3.98Å; L422-L450 HydrophobicContact CD1-CD2 4.2Å; L422-L454 HydrophobicContact CD1-CD2 3.97Å; L422-L454 HydrophobicContact CD2-CD2 4.41Å; L422-I455 HydrophobicContact CD1-CD1 4.42Å
423	L	98.6	Very high	97.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.1	173.3	-80.7	60	0	0	0	107.8	W108 E109 N113 T368 T404 I405 L421	W108-L423 HydrophobicContact CB-CD1 4.22Å; E109-L423 HydrophobicContact CB-CD2 4.12Å; E109-L423 WeakPolarHBondContact O-CD2 3.48Å; N113-L423 WeakPolarHBondContact ND2-CD2 3.5Å; T368-L423 HydrophobicContact CG2-CD1 4Å; T368-L423 HydrophobicContact CG2-CG 4.42Å; T404-L423 CarbonylContact C-O 3.42Å; T404-L423 WeakPolarHBondContact CA-O 3.27Å; I405-L423 HydrophobicContact CB-CB 4.35Å; I405-L423 PolarHBondContact N-O 2.98Å; I405-L423 PolarHBondContact O-N 3.06Å; L421-L423 HydrophobicContact CD1-CD1 4.45Å; L421-L423 HydrophobicContact CD2-CD1 3.95Å; L421-L423 HydrophobicContact CG-CD1 3.79Å
424	N	98.7	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	-173.9	-53.8	-89	0	0	0	109	A366 V367 V369 T401 T404 L422 V446	A366-N424 CarbonylContact C-O 3.56Å; A366-N424 WeakPolarHBondContact CA-O 3.48Å; V367-N424 HydrophobicContact CB-CB 4.38Å; V367-N424 PolarHBondContact N-O 3.41Å; V367-N424 WeakPolarHBondContact O-CB 3.41Å; V367-N424 PolarHBondContact O-N 2.97Å; V367-N424 PolarHBondContact O-ND2 2.98Å; V369-N424 WeakPolarHBondContact CG2-ND2 3.38Å; T401-N424 HydrophobicContact CG2-CB 4.06Å; T404-N424 WeakPolarHBondContact CB-OD1 3.4Å; T404-N424 WeakPolarHBondContact CG2-OD1 3.47Å; T404-N424 PolarHBondContact OG1-OD1 2.91Å; L422-N424 PolarHBondContact O-ND2 2.93Å; N424-V446 HydrophobicContact CB-CB 4.48Å; N424-V446 HydrophobicContact CB-CG1 3.59Å; N424-V446 HydrophobicContact CB-CG2 3.98Å
425	Y	98	Very high	97	Very high	44 Å²	44	29.8 Å²	29.8	17%	0.173	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.7	175.3	-62.3	-87.1	0	0	0	108.9	G111 V364 A365 A366 T401 L402 G403 I405	G111-Y425 PolarHBondContact O-OH 3.4Å; V364-Y425 HydrophobicContact CG1-CD1 4.21Å; A365-Y425 WeakPolarHBondContact O-CA 3.35Å; A366-Y425 HydrophobicContact CB-CD1 4.2Å; A366-Y425 HydrophobicContact CB-CE1 3.99Å; T401-Y425 WeakPolarHBondContact CG2-O 3.43Å; L402-Y425 WeakPolarHBondContact CA-O 3.37Å; L402-Y425 VanDerWaalsContact CB-O 3.27Å; L402-Y425 WeakPolarHBondContact CB-O 3.4Å; L402-Y425 PolarHBondContact N-O 2.79Å; G403-Y425 PolarHBondContact O-N 3.26Å; I405-Y425 HydrophobicContact CD1-CE2 3.82Å; I405-Y425 HydrophobicContact CG1-CE2 4.29Å
426	I	97.9	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.3	-177	-171.3	168.6	0	0	0	109.6	A365 V367 E400 I434 L442 A445 V446	A365-I426 HydrophobicContact CB-CG2 3.81Å; A365-I426 PolarHBondContact N-O 3.25Å; A365-I426 PolarHBondContact O-N 3.11Å; V367-I426 HydrophobicContact CG2-CG2 4.18Å; E400-I426 HydrophobicContact CB-CD1 4.15Å; E400-I426 HydrophobicContact CG-CD1 3.85Å; E400-I426 HydrophobicContact CG-CG1 4.19Å; I426-I434 HydrophobicContact CG1-CG2 4.44Å; I426-L442 HydrophobicContact CG2-CD2 4.05Å; I426-A445 HydrophobicContact CD1-CB 3.93Å; I426-V446 HydrophobicContact CD1-CG2 4.27Å; I426-V446 HydrophobicContact CG2-CG2 4.4Å
427	G	97.6	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.5	-132.3	-174.7	0	0	0	0	0	113	N431	G427-N431 CarbonylContact C-O 3.57Å; G427-N431 WeakPolarHBondContact CA-O 3.46Å
428	G	97	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	85	-172.9	-178.6	0	0	0	0	0	113.4	A219 P363 T430 N431 T432	A219-G428 CarbonylContact O-C 3.57Å; A219-G428 WeakPolarHBondContact O-CA 3.38Å; P363-G428 PolarHBondContact O-N 3.04Å; G428-T430 PolarHBondContact O-N 2.94Å; G428-N431 CarbonylContact O-C 3.16Å; G428-N431 PolarHBondContact O-N 3.27Å; G428-T432 PolarHBondContact O-N 3.41Å
429	S	96.2	Very high	97	Very high	24 Å²	24	38.1 Å²	38.1	17%	0.168	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.2	-174.4	-61.3	0	0	0	0	113.1	A219 P362 Q476	A219-S429 PolarHBondContact O-N 3.08Å; A219-S429 PolarHBondContact O-OG 2.96Å; P362-S429 WeakPolarHBondContact CG-OG 3.47Å; S429-Q476 PolarHBondContact OG-OE1 2.91Å
430	T	94	Very high	97	Very high	68 Å²	68	38.7 Å²	38.7	42%	0.417	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.6	178.7	62.3	0	0	0	0	113.2	D221 G428	D221-T430 HydrophobicContact CB-CG2 4.15Å; G428-T430 PolarHBondContact O-N 2.94Å
431	N	95.4	Very high	97	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	25%	0.251	C	S	.	.			trans	-150.9	68.8	178.3	-173.8	9.2	0	0	0	110.6	E400 G427 G428 G433 I434	E400-N431 VanDerWaalsContact CG-ND2 3.29Å; E400-N431 WeakPolarHBondContact CG-ND2 3.39Å; E400-N431 PolarHBondContact OE1-ND2 2.93Å; G427-N431 CarbonylContact C-O 3.57Å; G427-N431 WeakPolarHBondContact CA-O 3.46Å; G428-N431 CarbonylContact O-C 3.16Å; G428-N431 PolarHBondContact O-N 3.27Å; N431-G433 VanDerWaalsContact C-N 3.26Å; N431-G433 PolarHBondContact O-N 2.81Å; N431-I434 WeakPolarHBondContact ND2-CG2 3.42Å
432	T	96.2	Very high	97	Very high	67 Å²	67	42.7 Å²	42.7	41%	0.411	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-73.1	-19.6	-178.3	57.9	0	0	0	0	113.1	Y360 P363 G428 I434 V435	Y360-T432 VanDerWaalsContact OH-CG2 3.24Å; Y360-T432 WeakPolarHBondContact OH-CG2 3.43Å; P363-T432 WeakPolarHBondContact CG-O 3.46Å; G428-T432 PolarHBondContact O-N 3.41Å; T432-I434 PolarHBondContact O-N 2.75Å; T432-I434 VanDerWaalsContact O-N 3.08Å; T432-V435 PolarHBondContact O-N 3.5Å
433	G	95.2	Very high	97	Very high	38 Å²	38	43.6 Å²	43.6	39%	0.392	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-64.4	-10.5	-179.3	0	0	0	0	0	114.7	N431 V435 S436	N431-G433 VanDerWaalsContact C-N 3.26Å; N431-G433 PolarHBondContact O-N 2.81Å; G433-V435 PolarHBondContact O-N 3.29Å; G433-V435 VanDerWaalsContact O-N 3.1Å; G433-S436 PolarHBondContact O-N 3.18Å; G433-S436 VanDerWaalsContact O-N 3.11Å
434	I	94.1	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-59	-23	177	65.7	76.9	0	0	0	113.3	P363 I426 N431 T432 S436 K437 L442 V469	P363-I434 HydrophobicContact CB-CD1 3.7Å; P363-I434 HydrophobicContact CB-CG1 4.4Å; P363-I434 HydrophobicContact CG-CD1 4.11Å; P363-I434 HydrophobicContact CG-CG1 4.31Å; I426-I434 HydrophobicContact CG1-CG2 4.44Å; N431-I434 WeakPolarHBondContact ND2-CG2 3.42Å; T432-I434 PolarHBondContact O-N 2.75Å; T432-I434 VanDerWaalsContact O-N 3.08Å; I434-S436 PolarHBondContact O-N 3.43Å; I434-K437 WeakPolarHBondContact O-CB 3.29Å; I434-K437 PolarHBondContact O-N 3.28Å; I434-K437 VanDerWaalsContact O-N 3.11Å; I434-L442 HydrophobicContact CB-CD2 4.16Å; I434-L442 HydrophobicContact CG2-CD2 4.47Å; I434-V469 HydrophobicContact CD1-CG1 4.02Å
435	V	93.6	Very high	96.9	Very high	80 Å²	80	48.8 Å²	48.8	49%	0.485	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-67.1	-21.2	-179.3	71.3	0	0	0	0	112	P363 T432 G433	P363-V435 HydrophobicContact CB-CB 4.28Å; P363-V435 HydrophobicContact CG-CB 4.44Å; T432-V435 PolarHBondContact O-N 3.5Å; G433-V435 PolarHBondContact O-N 3.29Å; G433-V435 VanDerWaalsContact O-N 3.1Å
436	S	95.8	Very high	97	Very high	106 Å²	106	46.7 Å²	46.7	74%	0.741	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-92.8	-5.3	177.7	-55.8	0	0	0	0	113.3	G433 I434	G433-S436 PolarHBondContact O-N 3.18Å; G433-S436 VanDerWaalsContact O-N 3.11Å; I434-S436 PolarHBondContact O-N 3.43Å
437	K	97.6	Very high	97	Very high	64 Å²	64	47.7 Å²	47.7	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-82.7	145	178.9	-66.4	-170.1	170.9	-161.6	0	111.2	E400 I434 E441 L442	E400-K437 IonicContact OE1-NZ 2.68Å; E400-K437 PolarHBondContact OE1-NZ 3.15Å; E400-K437 IonicContact OE2-NZ 2.8Å; E400-K437 PolarHBondContact OE2-NZ 3.17Å; I434-K437 WeakPolarHBondContact O-CB 3.29Å; I434-K437 PolarHBondContact O-N 3.28Å; I434-K437 VanDerWaalsContact O-N 3.11Å; K437-E441 HydrophobicContact CB-CB 4.22Å; K437-L442 HydrophobicContact CB-CD2 3.96Å; K437-L442 HydrophobicContact CB-CG 3.94Å; K437-L442 HydrophobicContact CD-CD2 4Å
438	T	98.2	Very high	97	Very high	78 Å²	78	53.2 Å²	53.2	48%	0.479	30%	0.298	S	S	.	.			trans	-71.9	161.8	168.2	63.9	0	0	0	0	111.1	S440 E441 L442	T438-S440 VanDerWaalsContact C-N 3.26Å; T438-S440 PolarHBondContact O-N 3.34Å; T438-E441 WeakPolarHBondContact CB-OE2 3.12Å; T438-E441 WeakPolarHBondContact CG2-OE2 3.36Å; T438-E441 PolarHBondContact N-OE2 3.09Å; T438-E441 PolarHBondContact O-N 3.39Å; T438-E441 VanDerWaalsContact OG1-CG 3.27Å; T438-E441 WeakPolarHBondContact OG1-CG 3.39Å; T438-E441 PolarHBondContact OG1-N 2.88Å; T438-E441 PolarHBondContact OG1-OE2 3.28Å; T438-L442 WeakPolarHBondContact O-CG 3.34Å; T438-L442 PolarHBondContact O-N 3.25Å; T438-L442 VanDerWaalsContact O-N 3.11Å
439	E	98	Very high	97.1	Very high	127 Å²	127	53.2 Å²	53.2	59%	0.593	30%	0.298	S	S	*	.	H	α-helix	trans	-58.3	-38.5	175.9	-64.5	-174.6	179	0	0	112.2	L442 V443 V467	E439-L442 PolarHBondContact O-N 2.82Å; E439-V443 WeakPolarHBondContact O-CG2 3.5Å; E439-V443 PolarHBondContact O-N 3.31Å; E439-V467 HydrophobicContact CB-CB 4.2Å; E439-V467 HydrophobicContact CB-CG1 4.2Å; E439-V467 HydrophobicContact CB-CG2 4.25Å; E439-V467 HydrophobicContact CG-CB 4.02Å; E439-V467 HydrophobicContact CG-CG1 3.96Å
440	S	98.3	Very high	97.2	Very high	70 Å²	70	52.1 Å²	52.1	49%	0.49	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-47.8	177	-162.4	0	0	0	0	111.6	T438 L442 V443 E444	T438-S440 VanDerWaalsContact C-N 3.26Å; T438-S440 PolarHBondContact O-N 3.34Å; S440-L442 PolarHBondContact O-N 2.88Å; S440-V443 PolarHBondContact O-N 2.91Å; S440-V443 VanDerWaalsContact O-N 3.12Å; S440-E444 WeakPolarHBondContact O-CB 3.32Å; S440-E444 VanDerWaalsContact O-CG 3.29Å; S440-E444 WeakPolarHBondContact O-CG 3.37Å; S440-E444 PolarHBondContact O-N 2.88Å; S440-E444 PolarHBondContact OG-OE1 3.4Å
441	E	98.5	Very high	97.4	Very high	89 Å²	89	50.7 Å²	50.7	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-33	179.4	-71.3	166.6	128.9	0	0	112.3	K437 T438 A445	K437-E441 HydrophobicContact CB-CB 4.22Å; T438-E441 WeakPolarHBondContact CB-OE2 3.12Å; T438-E441 WeakPolarHBondContact CG2-OE2 3.36Å; T438-E441 PolarHBondContact N-OE2 3.09Å; T438-E441 PolarHBondContact O-N 3.39Å; T438-E441 VanDerWaalsContact OG1-CG 3.27Å; T438-E441 WeakPolarHBondContact OG1-CG 3.39Å; T438-E441 PolarHBondContact OG1-N 2.88Å; T438-E441 PolarHBondContact OG1-OE2 3.28Å; E441-A445 VanDerWaalsContact O-CB 3.28Å; E441-A445 WeakPolarHBondContact O-CB 3.45Å; E441-A445 PolarHBondContact O-N 3.36Å
442	L	98.6	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-44	174.1	-68.6	170.5	0	0	0	111.5	A365 V367 I426 I434 K437 T438 E439 S440 A445 V446 V467 V469	A365-L442 HydrophobicContact CB-CD1 3.96Å; A365-L442 HydrophobicContact CB-CD2 4.33Å; V367-L442 HydrophobicContact CG2-CB 4.12Å; I426-L442 HydrophobicContact CG2-CD2 4.05Å; I434-L442 HydrophobicContact CB-CD2 4.16Å; I434-L442 HydrophobicContact CG2-CD2 4.47Å; K437-L442 HydrophobicContact CB-CD2 3.96Å; K437-L442 HydrophobicContact CB-CG 3.94Å; K437-L442 HydrophobicContact CD-CD2 4Å; T438-L442 WeakPolarHBondContact O-CG 3.34Å; T438-L442 PolarHBondContact O-N 3.25Å; T438-L442 VanDerWaalsContact O-N 3.11Å; E439-L442 PolarHBondContact O-N 2.82Å; S440-L442 PolarHBondContact O-N 2.88Å; L442-A445 PolarHBondContact O-N 2.79Å; L442-V446 WeakPolarHBondContact O-CB 3.45Å; L442-V446 WeakPolarHBondContact O-CG2 3.35Å; L442-V446 PolarHBondContact O-N 3.28Å; L442-V467 HydrophobicContact CD1-CG1 3.9Å; L442-V469 HydrophobicContact CD1-CG2 3.69Å
443	V	98.8	Very high	97.5	Very high	19 Å²	19	50 Å²	50	12%	0.115	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-46.4	175.8	170.4	0	0	0	0	110.8	V367 E439 S440 A445 V446 D447 P462 V464 V467	V367-V443 HydrophobicContact CG1-CG2 3.98Å; E439-V443 WeakPolarHBondContact O-CG2 3.5Å; E439-V443 PolarHBondContact O-N 3.31Å; S440-V443 PolarHBondContact O-N 2.91Å; S440-V443 VanDerWaalsContact O-N 3.12Å; V443-A445 VanDerWaalsContact C-N 3.35Å; V443-A445 PolarHBondContact O-N 2.78Å; V443-V446 PolarHBondContact O-N 3.33Å; V443-D447 WeakPolarHBondContact O-CB 3.36Å; V443-D447 PolarHBondContact O-N 3.07Å; V443-P462 HydrophobicContact CG1-CG 4.46Å; V443-V464 HydrophobicContact CB-CG2 4.48Å; V443-V464 HydrophobicContact CG1-CG2 3.67Å; V443-V464 HydrophobicContact CG2-CG1 3.89Å; V443-V464 HydrophobicContact CG2-CG2 4Å; V443-V467 HydrophobicContact CG2-CG2 3.7Å
444	E	98.5	Very high	97.6	Very high	111 Å²	111	48.2 Å²	48.2	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-42.2	178	-73.4	165.4	-145.3	0	0	111.6	S440 R448	S440-E444 WeakPolarHBondContact O-CB 3.32Å; S440-E444 VanDerWaalsContact O-CG 3.29Å; S440-E444 WeakPolarHBondContact O-CG 3.37Å; S440-E444 PolarHBondContact O-N 2.88Å; S440-E444 PolarHBondContact OG-OE1 3.4Å; E444-R448 WeakPolarHBondContact O-CB 3.27Å; E444-R448 PolarHBondContact O-N 2.79Å
445	A	98.4	Very high	97.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-43.6	176.2	0	0	0	0	0	112	I426 E441 L442 V443 D449	I426-A445 HydrophobicContact CD1-CB 3.93Å; E441-A445 VanDerWaalsContact O-CB 3.28Å; E441-A445 WeakPolarHBondContact O-CB 3.45Å; E441-A445 PolarHBondContact O-N 3.36Å; L442-A445 PolarHBondContact O-N 2.79Å; V443-A445 VanDerWaalsContact C-N 3.35Å; V443-A445 PolarHBondContact O-N 2.78Å; A445-D449 WeakPolarHBondContact O-CB 3.4Å; A445-D449 PolarHBondContact O-N 3.43Å
446	V	98.7	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-47	177.6	164.8	0	0	0	0	111.5	V367 T401 N424 I426 L442 V443 D449 L450	V367-V446 HydrophobicContact CB-CG2 3.97Å; V367-V446 HydrophobicContact CG1-CB 4.18Å; V367-V446 HydrophobicContact CG1-CG1 4.21Å; V367-V446 HydrophobicContact CG1-CG2 4.09Å; V367-V446 HydrophobicContact CG2-CG2 4.08Å; T401-V446 HydrophobicContact CG2-CG2 4.49Å; N424-V446 HydrophobicContact CB-CB 4.48Å; N424-V446 HydrophobicContact CB-CG1 3.59Å; N424-V446 HydrophobicContact CB-CG2 3.98Å; I426-V446 HydrophobicContact CD1-CG2 4.27Å; I426-V446 HydrophobicContact CG2-CG2 4.4Å; L442-V446 WeakPolarHBondContact O-CB 3.45Å; L442-V446 WeakPolarHBondContact O-CG2 3.35Å; L442-V446 PolarHBondContact O-N 3.28Å; V443-V446 PolarHBondContact O-N 3.33Å; V446-D449 PolarHBondContact O-N 3.29Å; V446-L450 HydrophobicContact CG1-CD1 3.82Å; V446-L450 HydrophobicContact CG1-CG 4.31Å; V446-L450 WeakPolarHBondContact O-CB 3.42Å; V446-L450 VanDerWaalsContact O-CG 3.27Å; V446-L450 WeakPolarHBondContact O-CG 3.45Å; V446-L450 PolarHBondContact O-N 2.8Å
447	D	98.8	Very high	98.1	Very high	21 Å²	21	46 Å²	46	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-48.2	178.2	179.6	31.6	0	0	0	111.4	Y371 V443 D449 L450 R451 P462	Y371-D447 PolarHBondContact OH-OD1 3.16Å; V443-D447 WeakPolarHBondContact O-CB 3.36Å; V443-D447 PolarHBondContact O-N 3.07Å; D447-D449 PolarHBondContact O-N 3.25Å; D447-L450 PolarHBondContact O-N 2.89Å; D447-L450 VanDerWaalsContact O-N 3.17Å; D447-R451 WeakPolarHBondContact O-CB 3.31Å; D447-R451 WeakPolarHBondContact O-CG 3.32Å; D447-R451 PolarHBondContact O-N 3.3Å; D447-R451 IonicContact OD1-CZ 2.73Å; D447-R451 IonicContact OD1-NE 3.23Å; D447-R451 PolarHBondContact OD1-NE 2.88Å; D447-R451 IonicContact OD1-NH2 2.85Å; D447-R451 PolarHBondContact OD1-NH2 2.85Å; D447-R451 IonicContact OD2-CZ 3.46Å; D447-R451 VanDerWaalsContact OD2-CZ 3.31Å; D447-R451 IonicContact OD2-NE 3.21Å; D447-R451 PolarHBondContact OD2-NE 3.23Å; D447-R451 IonicContact OD2-NH2 3.38Å; D447-R451 PolarHBondContact OD2-NH2 3.47Å; D447-P462 HydrophobicContact CB-CG 4.38Å
448	R	98.3	Very high	98.1	Very high	115 Å²	115	52.9 Å²	52.9	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-51.9	-45.4	174.2	176.6	-163.3	65.9	-142.7	-0.6	111.6	E400 E444 K452	E400-R448 IonicContact OE2-CZ 3.1Å; E400-R448 IonicContact OE2-NH2 3.85Å; E400-R448 PolarHBondContact OE2-NH2 3.14Å; E444-R448 WeakPolarHBondContact O-CB 3.27Å; E444-R448 PolarHBondContact O-N 2.79Å; R448-K452 PolarHBondContact O-N 3.06Å
449	D	98.3	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-49.8	179.1	-76.7	-12.1	0	0	0	111.1	V399 E400 T401 A445 V446 D447 R451 K452 M453	V399-D449 HydrophobicContact CG1-CB 3.82Å; V399-D449 WeakPolarHBondContact CG1-OD2 3.43Å; E400-D449 WeakPolarHBondContact CA-OD2 3.48Å; E400-D449 WeakPolarHBondContact CB-OD2 3.27Å; E400-D449 PolarHBondContact N-OD2 3.27Å; T401-D449 PolarHBondContact N-OD2 2.75Å; T401-D449 PolarHBondContact OG1-OD2 3.31Å; T401-D449 VanDerWaalsContact OG1-OD2 3.08Å; A445-D449 WeakPolarHBondContact O-CB 3.4Å; A445-D449 PolarHBondContact O-N 3.43Å; V446-D449 PolarHBondContact O-N 3.29Å; D447-D449 PolarHBondContact O-N 3.25Å; D449-R451 PolarHBondContact O-N 2.85Å; D449-K452 VanDerWaalsContact O-CB 3.27Å; D449-K452 WeakPolarHBondContact O-CB 3.4Å; D449-K452 PolarHBondContact O-N 3.25Å; D449-K452 IonicContact OD1-NZ 3.97Å; D449-K452 PolarHBondContact OD1-NZ 3.26Å; D449-M453 HydrophobicContact CB-CE 4.1Å; D449-M453 WeakPolarHBondContact O-CE 3.4Å
450	L	98.7	Very high	98	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-52.2	-40.3	174.9	-75.7	175.8	0	0	0	112.6	V369 Y371 T404 L422 V446 D447 K452 M453 L454 I455	V369-L450 HydrophobicContact CG2-CD1 4.13Å; Y371-L450 HydrophobicContact CE2-CD1 3.94Å; T404-L450 HydrophobicContact CG2-CD2 4.19Å; L422-L450 HydrophobicContact CD1-CD1 3.98Å; L422-L450 HydrophobicContact CD1-CD2 4.2Å; V446-L450 HydrophobicContact CG1-CD1 3.82Å; V446-L450 HydrophobicContact CG1-CG 4.31Å; V446-L450 WeakPolarHBondContact O-CB 3.42Å; V446-L450 VanDerWaalsContact O-CG 3.27Å; V446-L450 WeakPolarHBondContact O-CG 3.45Å; V446-L450 PolarHBondContact O-N 2.8Å; D447-L450 PolarHBondContact O-N 2.89Å; D447-L450 VanDerWaalsContact O-N 3.17Å; L450-K452 PolarHBondContact O-N 2.75Å; L450-M453 HydrophobicContact CD2-CE 4.48Å; L450-M453 PolarHBondContact O-N 2.9Å; L450-L454 HydrophobicContact CD2-CD2 4.16Å; L450-L454 PolarHBondContact O-N 2.92Å; L450-I455 HydrophobicContact CB-CG1 3.83Å; L450-I455 PolarHBondContact O-N 3.29Å
451	R	97.8	Very high	98	Very high	38 Å²	38	51 Å²	51	14%	0.143	25%	0.252	C	S	.	.	H	α-helix	trans	-68.9	-12.8	176.1	-71.4	179.8	-164.3	-105.6	3.7	114.5	R377 D447 D449 I455 P457 A459 D461	R377-R451 PolarHBondContact NH2-O 3.48Å; D447-R451 WeakPolarHBondContact O-CB 3.31Å; D447-R451 WeakPolarHBondContact O-CG 3.32Å; D447-R451 PolarHBondContact O-N 3.3Å; D447-R451 IonicContact OD1-CZ 2.73Å; D447-R451 IonicContact OD1-NE 3.23Å; D447-R451 PolarHBondContact OD1-NE 2.88Å; D447-R451 IonicContact OD1-NH2 2.85Å; D447-R451 PolarHBondContact OD1-NH2 2.85Å; D447-R451 IonicContact OD2-CZ 3.46Å; D447-R451 VanDerWaalsContact OD2-CZ 3.31Å; D447-R451 IonicContact OD2-NE 3.21Å; D447-R451 PolarHBondContact OD2-NE 3.23Å; D447-R451 IonicContact OD2-NH2 3.38Å; D447-R451 PolarHBondContact OD2-NH2 3.47Å; D449-R451 PolarHBondContact O-N 2.85Å; R451-I455 HydrophobicContact CG-CB 4.07Å; R451-I455 HydrophobicContact CG-CG2 4.08Å; R451-P457 PolarHBondContact NH1-O 3.01Å; R451-A459 PolarHBondContact NH1-O 3.15Å; R451-D461 IonicContact NH2-OD1 3.51Å; R451-D461 PolarHBondContact NH2-OD1 2.65Å
452	K	96.7	Very high	98	Very high	89 Å²	89	47.7 Å²	47.7	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-75.1	-28.6	171.8	-67	170.2	-178.5	161.9	0	112.2	R377 G398 V399 R448 D449 L450	R377-K452 PolarHBondContact NH1-O 3.39Å; R377-K452 PolarHBondContact NH2-O 3.24Å; G398-K452 PolarHBondContact O-NZ 2.66Å; V399-K452 HydrophobicContact CG2-CD 4.13Å; R448-K452 PolarHBondContact O-N 3.06Å; D449-K452 VanDerWaalsContact O-CB 3.27Å; D449-K452 WeakPolarHBondContact O-CB 3.4Å; D449-K452 PolarHBondContact O-N 3.25Å; D449-K452 IonicContact OD1-NZ 3.97Å; D449-K452 PolarHBondContact OD1-NZ 3.26Å; L450-K452 PolarHBondContact O-N 2.75Å
453	M	96.9	Very high	98	Very high	4 Å²	4	50 Å²	50	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-135.4	-28.1	-165.8	60	-127.5	163.1	0	0	116.9	L146 L151 C380 V399 D449 L450	L146-M453 HydrophobicContact CD1-CB 3.8Å; L146-M453 HydrophobicContact CD1-SD 4.18Å; L146-M453 HydrophobicContact CD2-SD 3.73Å; L146-M453 HydrophobicContact CG-SD 4.43Å; L151-M453 HydrophobicContact CD2-CB 4.25Å; L151-M453 HydrophobicContact CD2-CG 4.26Å; L151-M453 HydrophobicContact CG-CB 4.21Å; C380-M453 PolarHBondContact SG-O 2.91Å; C380-M453 VanDerWaalsContact SG-O 3.41Å; V399-M453 HydrophobicContact CG1-CE 4.28Å; V399-M453 HydrophobicContact CG2-SD 4.35Å; D449-M453 HydrophobicContact CB-CE 4.1Å; D449-M453 WeakPolarHBondContact O-CE 3.4Å; L450-M453 HydrophobicContact CD2-CE 4.48Å; L450-M453 PolarHBondContact O-N 2.9Å
454	L	98.3	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-42.7	-169.5	-178	62.3	0	0	0	113	L151 I376 R377 C380 L386 Y406 L422 L450	L151-L454 HydrophobicContact CD1-CB 4.32Å; L151-L454 HydrophobicContact CD1-CD1 4.08Å; I376-L454 HydrophobicContact CD1-CG 4.27Å; I376-L454 HydrophobicContact CG2-CD1 4.09Å; R377-L454 WeakPolarHBondContact CG-O 3.17Å; R377-L454 PolarHBondContact N-O 3.19Å; C380-L454 HydrophobicContact CB-CD1 3.92Å; L386-L454 HydrophobicContact CD1-CD1 3.77Å; L386-L454 HydrophobicContact CD2-CD1 4.39Å; L386-L454 HydrophobicContact CD2-CD2 4.35Å; Y406-L454 HydrophobicContact CE1-CD2 3.78Å; L422-L454 HydrophobicContact CD1-CD2 3.97Å; L422-L454 HydrophobicContact CD2-CD2 4.41Å; L450-L454 HydrophobicContact CD2-CD2 4.16Å; L450-L454 PolarHBondContact O-N 2.92Å
455	I	98.5	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-93.9	140	-176.5	-56	-60.1	0	0	0	109.9	Y371 A375 I376 R377 L422 L450 R451 A459	Y371-I455 HydrophobicContact CD1-CD1 4.25Å; Y371-I455 HydrophobicContact CD1-CG2 4.21Å; Y371-I455 HydrophobicContact CD2-CD1 3.71Å; Y371-I455 HydrophobicContact CD2-CG1 4.27Å; Y371-I455 HydrophobicContact CE1-CD1 4.49Å; Y371-I455 HydrophobicContact CE1-CG1 4.36Å; Y371-I455 HydrophobicContact CE1-CG2 4.02Å; Y371-I455 HydrophobicContact CE2-CD1 3.99Å; Y371-I455 HydrophobicContact CE2-CG1 4.04Å; Y371-I455 HydrophobicContact CG-CD1 3.85Å; A375-I455 HydrophobicContact CB-CG2 4.38Å; I376-I455 HydrophobicContact CD1-CD1 3.47Å; I376-I455 VanDerWaalsContact CD1-CD1 3.47Å; R377-I455 PolarHBondContact NE-O 3Å; L422-I455 HydrophobicContact CD1-CD1 4.42Å; L450-I455 HydrophobicContact CB-CG1 3.83Å; L450-I455 PolarHBondContact O-N 3.29Å; R451-I455 HydrophobicContact CG-CB 4.07Å; R451-I455 HydrophobicContact CG-CG2 4.08Å; I455-A459 HydrophobicContact CG2-CB 3.83Å
456	N	97.9	Very high	98	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.283	24%	0.244	S	C	.	.			trans	-60.5	128.2	172.7	-74.8	-49	0	0	0	108.8	E374 A375 I376 R377 K458 A459	E374-N456 PolarHBondContact O-ND2 2.89Å; A375-N456 WeakPolarHBondContact O-CB 3.42Å; A375-N456 PolarHBondContact O-N 3.38Å; A375-N456 PolarHBondContact O-ND2 3.41Å; I376-N456 PolarHBondContact O-ND2 3.5Å; R377-N456 WeakPolarHBondContact CG-OD1 3.5Å; N456-K458 PolarHBondContact O-N 3.39Å; N456-A459 HydrophobicContact CB-CB 4.18Å; N456-A459 VanDerWaalsContact O-CB 3.25Å; N456-A459 WeakPolarHBondContact O-CB 3.46Å; N456-A459 PolarHBondContact O-N 3.4Å
457	P	96.7	Very high	98	Very high	87 Å²	87	48 Å²	48	57%	0.565	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.4	-176.5	-29.3	35.6	0	0	0	114.4	R451	R451-P457 PolarHBondContact NH1-O 3.01Å
458	K	96.9	Very high	97.9	Very high	207 Å²	207	51.9 Å²	51.9	90%	0.9	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.7	179.5	-58.7	-176	179.8	-178	0	114.2	N456	N456-K458 PolarHBondContact O-N 3.39Å
459	A	97.9	Very high	97.9	Very high	18 Å²	18	48.6 Å²	48.6	15%	0.149	25%	0.253	C	S	.	.	S	Bend	trans	-63	156	174.7	0	0	0	0	0	110.6	A375 R451 I455 N456	A375-A459 HydrophobicContact CB-CB 3.65Å; R451-A459 PolarHBondContact NH1-O 3.15Å; I455-A459 HydrophobicContact CG2-CB 3.83Å; N456-A459 HydrophobicContact CB-CB 4.18Å; N456-A459 VanDerWaalsContact O-CB 3.25Å; N456-A459 WeakPolarHBondContact O-CB 3.46Å; N456-A459 PolarHBondContact O-N 3.4Å
460	V	97.6	Very high	97.8	Very high	96 Å²	96	50.6 Å²	50.6	58%	0.582	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-58.8	155.2	169.1	-62.5	0	0	0	0	110.9	P372	P372-V460 HydrophobicContact CG-CG2 3.89Å
461	D	98.2	Very high	97.7	Very high	122 Å²	122	54.5 Å²	54.5	65%	0.652	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-62.2	151.2	177.7	-65.7	-17	0	0	0	111.8	R451	R451-D461 IonicContact NH2-OD1 3.51Å; R451-D461 PolarHBondContact NH2-OD1 2.65Å
462	P	98.5	Very high	97.7	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.123	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.9	149.5	178.1	21.9	-30.2	0	0	0	112.4	V369 Y371 V443 D447 V464	V369-P462 HydrophobicContact CB-CB 3.7Å; V369-P462 HydrophobicContact CB-CG 4.46Å; V369-P462 HydrophobicContact CG1-CB 3.92Å; V369-P462 HydrophobicContact CG1-CG 4.22Å; V369-P462 HydrophobicContact CG2-CB 4.47Å; Y371-P462 HydrophobicContact CD1-CB 4.3Å; Y371-P462 HydrophobicContact CE1-CB 3.68Å; Y371-P462 HydrophobicContact CE1-CG 4.06Å; Y371-P462 HydrophobicContact CE2-CB 3.95Å; Y371-P462 VanDerWaalsContact CZ-CB 3.46Å; Y371-P462 WeakPolarHBondContact OH-CB 3.34Å; Y371-P462 WeakPolarHBondContact OH-CD 3.44Å; Y371-P462 VanDerWaalsContact OH-CG 3.3Å; Y371-P462 WeakPolarHBondContact OH-CG 3.26Å; V443-P462 HydrophobicContact CG1-CG 4.46Å; D447-P462 HydrophobicContact CB-CG 4.38Å; P462-V464 PolarHBondContact O-N 3.24Å
463	L	98.5	Very high	97.6	Very high	49 Å²	49	53.2 Å²	53.2	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.4	154	176.4	67	0	0	0	108.7	Y106 V369 S370 L465	Y106-L463 HydrophobicContact CE2-CD2 3.85Å; V369-L463 CarbonylContact C-O 3.59Å; V369-L463 WeakPolarHBondContact CA-O 3.45Å; S370-L463 PolarHBondContact N-O 3.11Å; S370-L463 PolarHBondContact O-N 3.08Å; L463-L465 HydrophobicContact CD2-CD2 3.86Å; L463-L465 HydrophobicContact CD2-CG 4.47Å; L463-L465 HydrophobicContact CG-CD2 4.28Å
464	V	98.6	Very high	97.6	Very high	57 Å²	57	54.7 Å²	54.7	35%	0.345	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.8	173.4	-173.7	0	0	0	0	109.6	R101 V369 V443 P462 V467	R101-V464 PolarHBondContact NH2-O 3.15Å; R101-V464 VanDerWaalsContact NH2-O 3.09Å; V369-V464 HydrophobicContact CG1-CG2 4.48Å; V443-V464 HydrophobicContact CB-CG2 4.48Å; V443-V464 HydrophobicContact CG1-CG2 3.67Å; V443-V464 HydrophobicContact CG2-CG1 3.89Å; V443-V464 HydrophobicContact CG2-CG2 4Å; P462-V464 PolarHBondContact O-N 3.24Å; V464-V467 HydrophobicContact CG1-CG2 4.22Å
465	L	98.4	Very high	97.5	Very high	9 Å²	9	54.7 Å²	54.7	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-42.4	-179.7	-69.8	167.3	0	0	0	111.9	R101 Y106 W108 T368 L421 L463	R101-L465 PolarHBondContact NH2-O 3.18Å; R101-L465 VanDerWaalsContact NH2-O 3.14Å; Y106-L465 HydrophobicContact CD1-CD1 3.54Å; Y106-L465 HydrophobicContact CD1-CD2 4.19Å; Y106-L465 HydrophobicContact CD2-CD2 3.76Å; Y106-L465 HydrophobicContact CE1-CD1 3.89Å; Y106-L465 HydrophobicContact CE2-CD2 4.17Å; Y106-L465 HydrophobicContact CG-CD1 3.94Å; Y106-L465 HydrophobicContact CG-CD2 3.77Å; W108-L465 HydrophobicContact CD2-CB 4.41Å; W108-L465 HydrophobicContact CE3-CB 4.34Å; W108-L465 HydrophobicContact CH2-CB 4.37Å; W108-L465 HydrophobicContact CZ2-CB 4.39Å; W108-L465 WeakPolarHBondContact CZ2-O 3.47Å; W108-L465 HydrophobicContact CZ3-CB 4.33Å; W108-L465 HydrophobicContact CZ3-CD2 4.5Å; T368-L465 HydrophobicContact CG2-CB 3.89Å; T368-L465 HydrophobicContact CG2-CD1 4.04Å; T368-L465 PolarHBondContact O-N 3.08Å; L421-L465 HydrophobicContact CD1-CD1 3.19Å; L463-L465 HydrophobicContact CD2-CD2 3.86Å; L463-L465 HydrophobicContact CD2-CG 4.47Å; L463-L465 HydrophobicContact CG-CD2 4.28Å
466	G	98	Very high	97.5	Very high	12 Å²	12	54.8 Å²	54.8	12%	0.124	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	147.9	176.9	0	0	0	0	0	113.4	T368	T368-G466 PolarHBondContact N-O 3.24Å; T368-G466 PolarHBondContact O-N 2.93Å
467	V	98.1	Very high	97.5	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.6	171.2	-179.4	0	0	0	0	107.7	A366 V367 E439 L442 V443 V464 V469	A366-V467 WeakPolarHBondContact O-CA 3.47Å; V367-V467 HydrophobicContact CG1-CG2 4.41Å; V367-V467 HydrophobicContact CG2-CG1 4.3Å; E439-V467 HydrophobicContact CB-CB 4.2Å; E439-V467 HydrophobicContact CB-CG1 4.2Å; E439-V467 HydrophobicContact CB-CG2 4.25Å; E439-V467 HydrophobicContact CG-CB 4.02Å; E439-V467 HydrophobicContact CG-CG1 3.96Å; L442-V467 HydrophobicContact CD1-CG1 3.9Å; V443-V467 HydrophobicContact CG2-CG2 3.7Å; V464-V467 HydrophobicContact CG1-CG2 4.22Å; V467-V469 HydrophobicContact CG1-CG2 4.46Å
468	R	97.3	Very high	97.6	Very high	101 Å²	101	51.2 Å²	51.2	38%	0.381	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.3	177.1	178.1	68.2	63.9	-136.3	-2.7	109.3	E110 A365 A366 W470	E110-R468 HydrophobicContact CB-CB 3.97Å; E110-R468 HydrophobicContact CB-CG 4.12Å; E110-R468 HydrophobicContact CG-CB 4.37Å; E110-R468 IonicContact OE1-NH2 2.76Å; E110-R468 IonicContact OE2-CZ 2.88Å; E110-R468 IonicContact OE2-NE 3.75Å; E110-R468 PolarHBondContact OE2-NE 2.72Å; E110-R468 IonicContact OE2-NH2 3.14Å; E110-R468 PolarHBondContact OE2-NH2 3.39Å; A365-R468 CarbonylContact C-O 3.54Å; A365-R468 VanDerWaalsContact CA-O 3.27Å; A365-R468 WeakPolarHBondContact CA-O 3.5Å; A366-R468 HydrophobicContact CB-CB 4.45Å; A366-R468 PolarHBondContact N-O 3.1Å; A366-R468 PolarHBondContact O-N 3.11Å; R468-W470 HydrophobicContact CG-CD2 4.33Å; R468-W470 HydrophobicContact CG-CG 4.49Å; R468-W470 HydrophobicContact CG-CZ2 3.96Å; R468-W470 VanDerWaalsContact CG-NE1 3.34Å
469	V	97.6	Very high	97.7	Very high	46 Å²	46	45.1 Å²	45.1	28%	0.279	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.1	171.3	-174	0	0	0	0	109.2	A365 I434 L442 V467 P471	A365-V469 HydrophobicContact CB-CG2 4.01Å; I434-V469 HydrophobicContact CD1-CG1 4.02Å; L442-V469 HydrophobicContact CD1-CG2 3.69Å; V467-V469 HydrophobicContact CG1-CG2 4.46Å; V469-P471 WeakPolarHBondContact O-CD 3.38Å
470	W	97	Very high	97.6	Very high	42 Å²	42	44.7 Å²	44.7	16%	0.159	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.9	170.4	-62.7	94.2	0	0	0	108.5	N95 E110 P363 V364 R468 Q472 A473	N95-W470 HydrophobicContact CB-CH2 4.4Å; E110-W470 PolarHBondContact O-NE1 3.16Å; P363-W470 CarbonylContact C-O 3.45Å; P363-W470 WeakPolarHBondContact CA-O 3.2Å; V364-W470 PolarHBondContact N-O 3.22Å; V364-W470 WeakPolarHBondContact O-CB 3.48Å; V364-W470 PolarHBondContact O-N 3.46Å; R468-W470 HydrophobicContact CG-CD2 4.33Å; R468-W470 HydrophobicContact CG-CG 4.49Å; R468-W470 HydrophobicContact CG-CZ2 3.96Å; R468-W470 VanDerWaalsContact CG-NE1 3.34Å; W470-Q472 PolarHBondContact O-N 3.39Å; W470-A473 HydrophobicContact CB-CB 3.71Å
471	P	96.6	Very high	97.7	Very high	83 Å²	83	40.4 Å²	40.4	54%	0.539	22%	0.216	S	C	.	.	S	Bend	trans	-64.7	-30	-178.1	-23.3	34.8	0	0	0	113.3	P363 V469	P363-P471 WeakPolarHBondContact CA-O 3.4Å; P363-P471 WeakPolarHBondContact CB-O 3.28Å; V469-P471 WeakPolarHBondContact O-CD 3.38Å
472	Q	96.7	Very high	97.7	Very high	89 Å²	89	37.6 Å²	37.6	42%	0.416	20%	0.201	S	C	.	.	S	Bend	trans	-134.9	90.3	177	-68	177.3	-70.3	0	0	107.8	Y339 Y361 W470	Y339-Q472 HydrophobicContact CE1-CB 4.3Å; Y339-Q472 PolarHBondContact OH-OE1 2.93Å; Y361-Q472 HydrophobicContact CG-CB 4.45Å; W470-Q472 PolarHBondContact O-N 3.39Å
473	A	96	Very high	97.7	Very high	11 Å²	11	41.5 Å²	41.5	9%	0.091	22%	0.221	C	C	.	.			trans	-90.3	-60.4	-164.9	0	0	0	0	0	113.6	P362 V364 W470	P362-A473 WeakPolarHBondContact O-CB 3.39Å; P362-A473 PolarHBondContact O-N 3.07Å; V364-A473 HydrophobicContact CB-CB 3.71Å; V364-A473 HydrophobicContact CG2-CB 3.69Å; W470-A473 HydrophobicContact CB-CB 3.71Å
474	I	95.9	Very high	97.6	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.185	22%	0.222	C	C	.	.	S	Bend	trans	-130.6	125.1	-166.8	-56.5	170.5	0	0	0	108.9	A219 P362 Q476 V510	A219-I474 HydrophobicContact CB-CD1 4.2Å; P362-I474 WeakPolarHBondContact CD-O 3.41Å; I474-Q476 PolarHBondContact O-N 3.33Å; I474-Q476 PolarHBondContact O-NE2 3.13Å; I474-V510 HydrophobicContact CG2-CB 3.93Å; I474-V510 HydrophobicContact CG2-CG1 3.6Å; I474-V510 HydrophobicContact CG2-CG2 4.46Å
475	P	97.6	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.			trans	-61.6	125.7	173.3	22.2	-27.1	0	0	0	109.7	Y361 F477 N505 V510	Y361-P475 HydrophobicContact CD1-CB 4.13Å; Y361-P475 HydrophobicContact CE1-CB 3.54Å; Y361-P475 VanDerWaalsContact CE1-CD 3.49Å; Y361-P475 HydrophobicContact CE1-CG 3.85Å; Y361-P475 HydrophobicContact CE2-CB 4.17Å; P475-F477 HydrophobicContact CB-CE1 4.28Å; P475-F477 HydrophobicContact CG-CE1 4.16Å; P475-F477 WeakPolarHBondContact O-CD1 3.47Å; P475-N505 WeakPolarHBondContact CD-ND2 3.46Å; P475-N505 HydrophobicContact CG-CB 4.31Å; P475-V510 HydrophobicContact CG-CG1 3.98Å
476	Q	98.1	Very high	97.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	23%	0.228	C	C	.	.			trans	-83.6	122.8	177.1	-59.6	-57.2	-63.3	0	0	109.4	Y218 L225 Y360 P362 S429 I474 L478	Y218-Q476 PolarHBondContact O-NE2 2.82Å; L225-Q476 HydrophobicContact CD2-CB 4.35Å; Y360-Q476 HydrophobicContact CD1-CB 4.19Å; Y360-Q476 HydrophobicContact CD1-CG 3.71Å; Y360-Q476 HydrophobicContact CE1-CG 4.25Å; Y360-Q476 PolarHBondContact O-N 3.13Å; P362-Q476 HydrophobicContact CG-CG 3.99Å; S429-Q476 PolarHBondContact OG-OE1 2.91Å; I474-Q476 PolarHBondContact O-N 3.33Å; I474-Q476 PolarHBondContact O-NE2 3.13Å; Q476-L478 HydrophobicContact CB-CD2 3.68Å; Q476-L478 HydrophobicContact CB-CG 3.94Å; Q476-L478 PolarHBondContact O-N 3.08Å
477	F	97.7	Very high	97.7	Very high	11 Å²	11	45.9 Å²	45.9	5%	0.048	24%	0.241	C	C	.	.			trans	-83.3	67.3	179.2	-69.4	9.6	0	0	0	108.8	Y218 L225 S226 A229 A230 P475 H481 N505 V510	Y218-F477 HydrophobicContact CE1-CD2 4.34Å; Y218-F477 HydrophobicContact CE1-CG 4.43Å; L225-F477 CarbonylContact C-O 3.49Å; L225-F477 WeakPolarHBondContact CA-O 3.16Å; L225-F477 HydrophobicContact CD2-CB 4.49Å; S226-F477 PolarHBondContact N-O 2.82Å; A229-F477 HydrophobicContact CB-CB 3.93Å; A229-F477 HydrophobicContact CB-CD2 4.11Å; A229-F477 HydrophobicContact CB-CG 4.38Å; A230-F477 HydrophobicContact CB-CB 4.35Å; P475-F477 HydrophobicContact CB-CE1 4.28Å; P475-F477 HydrophobicContact CG-CE1 4.16Å; P475-F477 WeakPolarHBondContact O-CD1 3.47Å; F477-H481 HydrophobicContact CB-CB 4.44Å; F477-H481 AromaticContact CD1-CE1 3.14Å; F477-H481 WeakPolarHBondContact CD1-CE1 3.41Å; F477-H481 AromaticContact CD1-ND1 3.48Å; F477-H481 WeakPolarHBondContact CD1-ND1 3.27Å; F477-H481 AromaticContact CD1-NE2 3.7Å; F477-H481 AromaticContact CE1-CE1 3.36Å; F477-H481 WeakPolarHBondContact CE1-CE1 3.32Å; F477-H481 AromaticContact CE1-NE2 3.73Å; F477-H481 AromaticContact CG-CE1 3.82Å; F477-H481 AromaticContact CG-ND1 3.91Å; F477-N505 WeakPolarHBondContact CZ-O 3.27Å; F477-V510 HydrophobicContact CE1-CG1 3.89Å; F477-V510 HydrophobicContact CZ-CG1 4.01Å
478	L	98.1	Very high	97.7	Very high	54 Å²	54	45.3 Å²	45.3	28%	0.283	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-64.9	164.8	-178.9	-54.6	-176.1	0	0	0	111	K224 S226 Q476 G480 H481	K224-L478 HydrophobicContact CB-CD2 3.85Å; K224-L478 CarbonylContact O-C 3.37Å; K224-L478 VanDerWaalsContact O-CA 3.27Å; K224-L478 WeakPolarHBondContact O-CA 3.5Å; S226-L478 WeakPolarHBondContact CB-O 3.42Å; Q476-L478 HydrophobicContact CB-CD2 3.68Å; Q476-L478 HydrophobicContact CB-CG 3.94Å; Q476-L478 PolarHBondContact O-N 3.08Å; L478-G480 PolarHBondContact O-N 2.94Å; L478-H481 WeakPolarHBondContact O-CB 3.33Å; L478-H481 PolarHBondContact O-N 2.89Å
479	I	98.4	Very high	97.7	Very high	78 Å²	78	44.4 Å²	44.4	40%	0.4	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	133.3	167	-66.4	172.5	0	0	0	109.4	E190 K224	E190-I479 HydrophobicContact CB-CG2 4.33Å; E190-I479 HydrophobicContact CG-CG2 4.38Å; E190-I479 WeakPolarHBondContact OE2-CG2 3.31Å; K224-I479 PolarHBondContact O-N 3.46Å
480	G	97.8	Very high	97.8	Very high	10 Å²	10	44.4 Å²	44.4	10%	0.103	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-3.3	-173.3	0	0	0	0	0	115.3	E190 L478 L482 D483 H484	E190-G480 PolarHBondContact OE2-N 3.31Å; L478-G480 PolarHBondContact O-N 2.94Å; G480-L482 VanDerWaalsContact C-N 3.33Å; G480-L482 PolarHBondContact O-N 3.13Å; G480-D483 WeakPolarHBondContact O-CB 3.43Å; G480-D483 PolarHBondContact O-N 3.14Å; G480-H484 PolarHBondContact O-CD2 3.27Å; G480-H484 PolarHBondContact O-N 2.79Å
481	H	98.3	Very high	97.8	Very high	6 Å²	6	43 Å²	43	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-52	-46.8	-177.3	176.3	100.7	0	0	0	113.6	A229 F359 F477 L478 D483 L485 Y506	A229-H481 HydrophobicContact CB-CB 4.18Å; F359-H481 AromaticContact CD1-CE1 3.39Å; F359-H481 WeakPolarHBondContact CD1-CE1 3.48Å; F359-H481 AromaticContact CD1-ND1 3.4Å; F359-H481 WeakPolarHBondContact CD1-ND1 3.36Å; F359-H481 AromaticContact CE1-CE1 3.23Å; F359-H481 WeakPolarHBondContact CE1-CE1 3.31Å; F359-H481 AromaticContact CE1-CG 3.94Å; F359-H481 AromaticContact CE1-ND1 3.36Å; F359-H481 WeakPolarHBondContact CE1-ND1 3.28Å; F359-H481 AromaticContact CE1-NE2 3.74Å; F477-H481 HydrophobicContact CB-CB 4.44Å; F477-H481 AromaticContact CD1-CE1 3.14Å; F477-H481 WeakPolarHBondContact CD1-CE1 3.41Å; F477-H481 AromaticContact CD1-ND1 3.48Å; F477-H481 WeakPolarHBondContact CD1-ND1 3.27Å; F477-H481 AromaticContact CD1-NE2 3.7Å; F477-H481 AromaticContact CE1-CE1 3.36Å; F477-H481 WeakPolarHBondContact CE1-CE1 3.32Å; F477-H481 AromaticContact CE1-NE2 3.73Å; F477-H481 AromaticContact CG-CE1 3.82Å; F477-H481 AromaticContact CG-ND1 3.91Å; L478-H481 WeakPolarHBondContact O-CB 3.33Å; L478-H481 PolarHBondContact O-N 2.89Å; H481-D483 VanDerWaalsContact C-N 3.33Å; H481-L485 WeakPolarHBondContact O-CB 3.38Å; H481-L485 PolarHBondContact O-N 2.69Å; H481-Y506 PolarHBondContact CE1-O 2.88Å; H481-Y506 VanDerWaalsContact CE1-O 3.22Å; H481-Y506 PolarHBondContact NE2-O 3.06Å
482	L	97.9	Very high	97.9	Very high	62 Å²	62	39.2 Å²	39.2	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-69.6	-33.3	179.8	-66.1	176.4	0	0	0	111.9	K228 A229 G480 L485 E486	K228-L482 HydrophobicContact CD-CD1 4.14Å; K228-L482 HydrophobicContact CG-CD1 3.94Å; A229-L482 HydrophobicContact CB-CD1 4.3Å; A229-L482 HydrophobicContact CB-CD2 4.44Å; A229-L482 HydrophobicContact CB-CG 3.97Å; G480-L482 VanDerWaalsContact C-N 3.33Å; G480-L482 PolarHBondContact O-N 3.13Å; L482-L485 PolarHBondContact O-N 3.14Å; L482-E486 WeakPolarHBondContact O-CB 3.34Å; L482-E486 PolarHBondContact O-N 3.09Å
483	D	98.2	Very high	97.8	Very high	101 Å²	101	36.7 Å²	36.7	54%	0.54	21%	0.209	S	C	.	.	H	α-helix	trans	-70.9	-40.7	178.7	-60	-23.2	0	0	0	110.7	G480 H481 E486 A487	G480-D483 WeakPolarHBondContact O-CB 3.43Å; G480-D483 PolarHBondContact O-N 3.14Å; H481-D483 VanDerWaalsContact C-N 3.33Å; D483-E486 PolarHBondContact O-N 2.68Å; D483-A487 VanDerWaalsContact O-CB 3.31Å; D483-A487 WeakPolarHBondContact O-CB 3.4Å; D483-A487 PolarHBondContact O-N 2.96Å
484	H	98.3	Very high	97.8	Very high	63 Å²	63	45.1 Å²	45.1	29%	0.292	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-40	172.9	-65.4	-50.9	0	0	0	112	F359 G480 E486 A487 A488	F359-H484 HydrophobicContact CE2-CB 4.25Å; F359-H484 HydrophobicContact CZ-CB 4.13Å; G480-H484 PolarHBondContact O-CD2 3.27Å; G480-H484 PolarHBondContact O-N 2.79Å; H484-E486 VanDerWaalsContact C-N 3.35Å; H484-A487 PolarHBondContact O-N 2.67Å; H484-A488 PolarHBondContact O-N 2.92Å
485	L	98.5	Very high	97.8	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-42.3	175	178.7	58.9	0	0	0	111.6	F359 H481 L482 A488 K489 L502 Y506 V507	F359-L485 HydrophobicContact CZ-CB 4.05Å; H481-L485 WeakPolarHBondContact O-CB 3.38Å; H481-L485 PolarHBondContact O-N 2.69Å; L482-L485 PolarHBondContact O-N 3.14Å; L485-A488 PolarHBondContact O-N 3.29Å; L485-K489 HydrophobicContact CG-CD 4.5Å; L485-K489 WeakPolarHBondContact O-CG 3.18Å; L485-K489 PolarHBondContact O-N 3.42Å; L485-K489 VanDerWaalsContact O-N 3.1Å; L485-L502 HydrophobicContact CD1-CD1 4.41Å; L485-Y506 HydrophobicContact CD1-CD2 4.35Å; L485-Y506 HydrophobicContact CD1-CE2 4.13Å; L485-V507 HydrophobicContact CD1-CG2 3.89Å; L485-V507 HydrophobicContact CD2-CB 4.45Å; L485-V507 HydrophobicContact CD2-CG1 4.2Å
486	E	98.4	Very high	97.6	Very high	100 Å²	100	46.3 Å²	46.3	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-39.7	177	-173.3	51.3	-137.1	0	0	111.6	L482 D483 H484 A488 K489 S490	L482-E486 WeakPolarHBondContact O-CB 3.34Å; L482-E486 PolarHBondContact O-N 3.09Å; D483-E486 PolarHBondContact O-N 2.68Å; H484-E486 VanDerWaalsContact C-N 3.35Å; E486-A488 VanDerWaalsContact C-N 3.32Å; E486-A488 PolarHBondContact O-N 2.94Å; E486-K489 PolarHBondContact O-N 2.78Å; E486-S490 WeakPolarHBondContact O-CB 3.29Å; E486-S490 PolarHBondContact O-N 2.93Å; E486-S490 PolarHBondContact O-OG 3.49Å; E486-S490 PolarHBondContact OE1-OG 2.84Å; E486-S490 VanDerWaalsContact OE1-OG 3.05Å
487	A	98.6	Very high	97.4	Very high	48 Å²	48	48.1 Å²	48.1	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-44.1	173.8	0	0	0	0	0	111.5	A355 D483 H484 S490 A491	A355-A487 HydrophobicContact CB-CB 4.2Å; D483-A487 VanDerWaalsContact O-CB 3.31Å; D483-A487 WeakPolarHBondContact O-CB 3.4Å; D483-A487 PolarHBondContact O-N 2.96Å; H484-A487 PolarHBondContact O-N 2.67Å; A487-S490 PolarHBondContact O-N 2.81Å; A487-A491 VanDerWaalsContact O-CB 3.23Å; A487-A491 WeakPolarHBondContact O-CB 3.48Å; A487-A491 PolarHBondContact O-N 2.87Å
488	A	98.6	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-47.7	176.1	0	0	0	0	0	112.2	A355 L356 H484 L485 E486 A491 L492 L502	A355-A488 HydrophobicContact CB-CB 3.91Å; L356-A488 HydrophobicContact CD2-CB 4.25Å; L356-A488 HydrophobicContact CG-CB 3.96Å; H484-A488 PolarHBondContact O-N 2.92Å; L485-A488 PolarHBondContact O-N 3.29Å; E486-A488 VanDerWaalsContact C-N 3.32Å; E486-A488 PolarHBondContact O-N 2.94Å; A488-A491 PolarHBondContact O-N 2.93Å; A488-L492 WeakPolarHBondContact O-CG 3.43Å; A488-L492 PolarHBondContact O-N 2.79Å; A488-L492 VanDerWaalsContact O-N 3.08Å; A488-L502 HydrophobicContact CB-CD1 3.88Å
489	K	98.4	Very high	97.1	Very high	83 Å²	83	49.9 Å²	49.9	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-45.4	177.7	-70.8	174.7	179.9	178.1	0	112	L485 E486 L492 G493 L502	L485-K489 HydrophobicContact CG-CD 4.5Å; L485-K489 WeakPolarHBondContact O-CG 3.18Å; L485-K489 PolarHBondContact O-N 3.42Å; L485-K489 VanDerWaalsContact O-N 3.1Å; E486-K489 PolarHBondContact O-N 2.78Å; K489-L492 PolarHBondContact O-N 3.47Å; K489-G493 PolarHBondContact O-N 2.69Å; K489-L502 HydrophobicContact CG-CD1 4.15Å
490	S	98.2	Very high	97	Very high	46 Å²	46	46.7 Å²	46.7	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-39.7	178.4	-82.4	0	0	0	0	112.1	E486 A487 G493 K494	E486-S490 WeakPolarHBondContact O-CB 3.29Å; E486-S490 PolarHBondContact O-N 2.93Å; E486-S490 PolarHBondContact O-OG 3.49Å; E486-S490 PolarHBondContact OE1-OG 2.84Å; E486-S490 VanDerWaalsContact OE1-OG 3.05Å; A487-S490 PolarHBondContact O-N 2.81Å; S490-G493 PolarHBondContact O-N 3.21Å; S490-K494 WeakPolarHBondContact O-CB 3.43Å; S490-K494 VanDerWaalsContact O-CG 3.31Å; S490-K494 WeakPolarHBondContact O-CG 3.4Å; S490-K494 PolarHBondContact O-N 2.88Å
491	A	98.4	Very high	97.1	Very high	12 Å²	12	47.9 Å²	47.9	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-42.3	175.2	0	0	0	0	0	111.6	D351 A352 A487 A488 G495	D351-A491 HydrophobicContact CB-CB 3.79Å; A352-A491 HydrophobicContact CB-CB 3.92Å; A487-A491 VanDerWaalsContact O-CB 3.23Å; A487-A491 WeakPolarHBondContact O-CB 3.48Å; A487-A491 PolarHBondContact O-N 2.87Å; A488-A491 PolarHBondContact O-N 2.93Å; A491-G495 PolarHBondContact O-N 3.27Å
492	L	97.7	Very high	97.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-46	173.8	-68.1	177	0	0	0	111.9	L345 A352 A488 K489 G495 G496 Y497 L500 L502	L345-L492 HydrophobicContact CD1-CD1 4.46Å; A352-L492 HydrophobicContact CB-CD2 3.79Å; A352-L492 HydrophobicContact CB-CG 3.85Å; A488-L492 WeakPolarHBondContact O-CG 3.43Å; A488-L492 PolarHBondContact O-N 2.79Å; A488-L492 VanDerWaalsContact O-N 3.08Å; K489-L492 PolarHBondContact O-N 3.47Å; L492-G495 PolarHBondContact O-N 3.29Å; L492-G496 PolarHBondContact O-N 2.88Å; L492-Y497 HydrophobicContact CD2-CD2 4.12Å; L492-Y497 WeakPolarHBondContact O-CB 3.42Å; L492-Y497 WeakPolarHBondContact O-CD2 3.3Å; L492-Y497 PolarHBondContact O-N 3.02Å; L492-L500 HydrophobicContact CD1-CD2 4.13Å; L492-L500 HydrophobicContact CD1-CG 4.3Å; L492-L500 HydrophobicContact CD2-CD2 3.87Å; L492-L502 HydrophobicContact CD1-CD1 4.21Å; L492-L502 HydrophobicContact CD1-CD2 4.17Å; L492-L502 HydrophobicContact CD1-CG 4.08Å
493	G	95.5	Very high	97.1	Very high	36 Å²	36	45.2 Å²	45.2	37%	0.371	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-47.4	177.3	0	0	0	0	0	113	K489 S490 G495 G496	K489-G493 PolarHBondContact O-N 2.69Å; S490-G493 PolarHBondContact O-N 3.21Å; G493-G495 VanDerWaalsContact C-N 3.3Å; G493-G495 PolarHBondContact O-N 2.77Å; G493-G496 PolarHBondContact O-N 3.13Å
494	K	95.9	Very high	97.1	Very high	188 Å²	188	40.6 Å²	40.6	82%	0.817	23%	0.232	S	C	*	.	H	α-helix	trans	-64.7	-32.9	177.6	-72.2	174.9	-176.2	176.8	0	113	S490 G496	S490-K494 WeakPolarHBondContact O-CB 3.43Å; S490-K494 VanDerWaalsContact O-CG 3.31Å; S490-K494 WeakPolarHBondContact O-CG 3.4Å; S490-K494 PolarHBondContact O-N 2.88Å; K494-G496 PolarHBondContact O-N 2.83Å
495	G	94.8	Very high	97	Very high	40 Å²	40	39.1 Å²	39.1	41%	0.412	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.2	172.4	0	0	0	0	0	114	A491 L492 G493 Y497	A491-G495 PolarHBondContact O-N 3.27Å; L492-G495 PolarHBondContact O-N 3.29Å; G493-G495 VanDerWaalsContact C-N 3.3Å; G493-G495 PolarHBondContact O-N 2.77Å; G495-Y497 VanDerWaalsContact C-N 3.34Å
496	G	93.1	Very high	97	Very high	21 Å²	21	38.7 Å²	38.7	22%	0.216	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	27.1	-177.4	0	0	0	0	0	112.9	K308 L492 G493 K494 D498	K308-G496 WeakPolarHBondContact CE-O 3.46Å; K308-G496 PolarHBondContact NZ-O 3.38Å; L492-G496 PolarHBondContact O-N 2.88Å; G493-G496 PolarHBondContact O-N 3.13Å; K494-G496 PolarHBondContact O-N 2.83Å; G496-D498 PolarHBondContact O-N 3.35Å
497	Y	95.3	Very high	97	Very high	40 Å²	40	35.7 Å²	35.7	16%	0.157	21%	0.212	C	C	.	.			trans	-92.4	45.2	177.8	-54.5	-65.1	0	0	0	111.6	K308 Y314 L348 L492 G495 L500	K308-Y497 HydrophobicContact CB-CD1 4.41Å; K308-Y497 HydrophobicContact CB-CE1 4.28Å; K308-Y497 HydrophobicContact CD-CD1 4.16Å; K308-Y497 HydrophobicContact CD-CE1 4.3Å; Y314-Y497 WeakPolarHBondContact OH-CA 3.42Å; Y314-Y497 PolarHBondContact OH-O 3.14Å; L348-Y497 HydrophobicContact CB-CE1 4.19Å; L348-Y497 HydrophobicContact CB-CE2 4.17Å; L348-Y497 HydrophobicContact CD1-CD1 4.45Å; L348-Y497 HydrophobicContact CD1-CE1 4.43Å; L348-Y497 HydrophobicContact CD2-CE1 3.9Å; L348-Y497 HydrophobicContact CG-CE1 4.42Å; L348-Y497 VanDerWaalsContact O-CE2 3.26Å; L348-Y497 WeakPolarHBondContact O-CE2 3.46Å; L348-Y497 VanDerWaalsContact O-CZ 3.26Å; L348-Y497 PolarHBondContact O-OH 3.5Å; L492-Y497 HydrophobicContact CD2-CD2 4.12Å; L492-Y497 WeakPolarHBondContact O-CB 3.42Å; L492-Y497 WeakPolarHBondContact O-CD2 3.3Å; L492-Y497 PolarHBondContact O-N 3.02Å; G495-Y497 VanDerWaalsContact C-N 3.34Å; Y497-L500 WeakPolarHBondContact O-CB 3.46Å; Y497-L500 PolarHBondContact O-N 2.7Å
498	D	92.8	Very high	96.9	Very high	97 Å²	97	33.9 Å²	33.9	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.1	172.5	-64.1	-62.7	0	0	0	111.4	Y314 G496 Y529	Y314-D498 PolarHBondContact OH-O 3.22Å; G496-D498 PolarHBondContact O-N 3.35Å; D498-Y529 HydrophobicContact CB-CE2 3.83Å; D498-Y529 PolarHBondContact O-OH 3.01Å; D498-Y529 VanDerWaalsContact O-OH 3.07Å
499	G	95.3	Very high	96.7	Very high	4 Å²	4	34.1 Å²	34.1	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-7.2	-174.5	0	0	0	0	0	114.1	T331 V332 F501	T331-G499 CarbonylContact C-O 3.5Å; T331-G499 VanDerWaalsContact CA-O 3.27Å; T331-G499 WeakPolarHBondContact CA-O 3.45Å; T331-G499 WeakPolarHBondContact CB-O 3.44Å; V332-G499 PolarHBondContact N-O 3.48Å; G499-F501 WeakPolarHBondContact O-CD2 3.47Å; G499-F501 WeakPolarHBondContact O-CE2 3.46Å
500	L	97.5	Very high	96.6	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.2	166.4	176.4	64.3	0	0	0	110.1	I306 Y314 V332 M334 L345 L348 L492 Y497	I306-L500 HydrophobicContact CD1-CD1 4.01Å; Y314-L500 HydrophobicContact CE1-CB 4.01Å; Y314-L500 HydrophobicContact CE2-CB 4.35Å; Y314-L500 VanDerWaalsContact OH-CB 3.31Å; Y314-L500 WeakPolarHBondContact OH-CB 3.27Å; Y314-L500 PolarHBondContact OH-N 3.47Å; Y314-L500 VanDerWaalsContact OH-N 3.16Å; V332-L500 HydrophobicContact CB-CD1 3.79Å; V332-L500 HydrophobicContact CG1-CD1 3.84Å; V332-L500 CarbonylContact O-C 3.47Å; V332-L500 WeakPolarHBondContact O-CA 3.2Å; M334-L500 HydrophobicContact CG-CD1 3.85Å; M334-L500 HydrophobicContact SD-CD1 4.46Å; L345-L500 HydrophobicContact CD1-CD2 4.5Å; L345-L500 HydrophobicContact CD2-CD1 4.49Å; L345-L500 HydrophobicContact CD2-CD2 3.61Å; L348-L500 HydrophobicContact CD1-CD2 4.44Å; L492-L500 HydrophobicContact CD1-CD2 4.13Å; L492-L500 HydrophobicContact CD1-CG 4.3Å; L492-L500 HydrophobicContact CD2-CD2 3.87Å; Y497-L500 WeakPolarHBondContact O-CB 3.46Å; Y497-L500 PolarHBondContact O-N 2.7Å
501	F	98.4	Very high	96.5	Very high	35 Å²	35	31.8 Å²	31.8	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.2	-176.8	-57.5	-87.2	0	0	0	111.6	T331 V332 V333 M334 G499 Q525 I526 Y529	T331-F501 HydrophobicContact CG2-CE2 4.11Å; V332-F501 PolarHBondContact O-N 3.03Å; V333-F501 WeakPolarHBondContact CA-O 3.26Å; V333-F501 HydrophobicContact CB-CB 4.11Å; V333-F501 HydrophobicContact CG2-CB 3.96Å; M334-F501 PolarHBondContact N-O 3.31Å; G499-F501 WeakPolarHBondContact O-CD2 3.47Å; G499-F501 WeakPolarHBondContact O-CE2 3.46Å; F501-Q525 HydrophobicContact CD1-CB 4.46Å; F501-Q525 HydrophobicContact CE1-CB 4.11Å; F501-I526 HydrophobicContact CD2-CD1 4.49Å; F501-I526 HydrophobicContact CD2-CG1 3.63Å; F501-I526 HydrophobicContact CE2-CB 4.44Å; F501-I526 HydrophobicContact CE2-CG1 3.73Å; F501-I526 HydrophobicContact CG-CG1 4.2Å; F501-I526 HydrophobicContact CZ-CG1 4.37Å; F501-Y529 HydrophobicContact CZ-CG 4.16Å
502	L	98.6	Very high	96.4	Very high	10 Å²	10	31.8 Å²	31.8	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.6	170.6	-60	176.7	0	0	0	109.2	M334 L345 L356 L485 A488 K489 L492 V507	M334-L502 HydrophobicContact CB-CD2 4.19Å; L345-L502 HydrophobicContact CD1-CD2 4.07Å; L356-L502 HydrophobicContact CD1-CD1 4.49Å; L356-L502 HydrophobicContact CD1-CD2 4.21Å; L356-L502 HydrophobicContact CD2-CD1 4.13Å; L485-L502 HydrophobicContact CD1-CD1 4.41Å; A488-L502 HydrophobicContact CB-CD1 3.88Å; K489-L502 HydrophobicContact CG-CD1 4.15Å; L492-L502 HydrophobicContact CD1-CD1 4.21Å; L492-L502 HydrophobicContact CD1-CD2 4.17Å; L492-L502 HydrophobicContact CD1-CG 4.08Å; L502-V507 HydrophobicContact CB-CG2 4.18Å
503	G	98.1	Very high	96.4	Very high	1 Å²	1	32 Å²	32	1%	0.01	20%	0.197	C	C	.	.			trans	-141.6	-167.3	177.9	0	0	0	0	0	111.9	M334 Y506 V507	M334-G503 CarbonylContact O-C 3.59Å; M334-G503 PolarHBondContact O-N 3.01Å; M334-G503 VanDerWaalsContact O-O 3.12Å; G503-Y506 WeakPolarHBondContact O-CE1 3.4Å; G503-Y506 PolarHBondContact O-OH 2.84Å; G503-V507 WeakPolarHBondContact O-CG2 3.43Å
504	G	98	Very high	96.4	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	92.3	-170.4	-178.2	0	0	0	0	0	114	S66 Y506 V507 A508	S66-G504 WeakPolarHBondContact OG-CA 3.45Å; G504-Y506 PolarHBondContact O-N 3.42Å; G504-V507 PolarHBondContact O-N 3.1Å; G504-A508 PolarHBondContact O-N 2.92Å
505	N	97.4	Very high	96.5	Very high	31 Å²	31	25.7 Å²	25.7	17%	0.166	16%	0.158	C	C	.	.	H	α-helix	trans	-73.7	-24.7	-168.9	62	-1.7	0	0	0	114.5	P475 F477 V507 G509	P475-N505 WeakPolarHBondContact CD-ND2 3.46Å; P475-N505 HydrophobicContact CG-CB 4.31Å; F477-N505 WeakPolarHBondContact CZ-O 3.27Å; N505-V507 VanDerWaalsContact C-N 3.28Å; N505-G509 WeakPolarHBondContact CA-O 3.3Å; N505-G509 CarbonylContact O-C 3.6Å; N505-G509 VanDerWaalsContact O-C 3.24Å; N505-G509 PolarHBondContact O-N 2.78Å
506	Y	97.9	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-75.7	-18	173.2	71	-83.8	0	0	0	112.6	I336 L356 F359 H481 L485 G503 G504	I336-Y506 WeakPolarHBondContact O-CE1 3.37Å; L356-Y506 HydrophobicContact CD2-CD2 4.47Å; L356-Y506 HydrophobicContact CD2-CE2 3.63Å; F359-Y506 HydrophobicContact CD1-CD2 4.48Å; F359-Y506 HydrophobicContact CE1-CD2 4.19Å; F359-Y506 HydrophobicContact CZ-CD2 4.25Å; H481-Y506 PolarHBondContact CE1-O 2.88Å; H481-Y506 VanDerWaalsContact CE1-O 3.22Å; H481-Y506 PolarHBondContact NE2-O 3.06Å; L485-Y506 HydrophobicContact CD1-CD2 4.35Å; L485-Y506 HydrophobicContact CD1-CE2 4.13Å; G503-Y506 WeakPolarHBondContact O-CE1 3.4Å; G503-Y506 PolarHBondContact O-OH 2.84Å; G504-Y506 PolarHBondContact O-N 3.42Å
507	V	98.2	Very high	97	Very high	36 Å²	36	24.5 Å²	24.5	22%	0.218	14%	0.136	C	C	.	.	H	α-helix	trans	-94.2	-51.5	177	-177.5	0	0	0	0	111.3	L485 L502 G503 G504 N505	L485-V507 HydrophobicContact CD1-CG2 3.89Å; L485-V507 HydrophobicContact CD2-CB 4.45Å; L485-V507 HydrophobicContact CD2-CG1 4.2Å; L502-V507 HydrophobicContact CB-CG2 4.18Å; G503-V507 WeakPolarHBondContact O-CG2 3.43Å; G504-V507 PolarHBondContact O-N 3.1Å; N505-V507 VanDerWaalsContact C-N 3.28Å
508	A	96.1	Very high	97.1	Very high	11 Å²	11	22.9 Å²	22.9	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-93.6	-25.3	-167.7	0	0	0	0	0	114.7	G504 R514	G504-A508 PolarHBondContact O-N 2.92Å; A508-R514 WeakPolarHBondContact CB-O 3.46Å; A508-R514 PolarHBondContact O-NE 3Å; A508-R514 VanDerWaalsContact O-NE 3.08Å; A508-R514 PolarHBondContact O-NH2 3.42Å
509	G	95.8	Very high	97.4	Very high	5 Å²	5	18.3 Å²	18.3	5%	0.052	11%	0.107	C	C	.	.			trans	127.3	153.4	-170.3	0	0	0	0	0	112.8	N505 C515	N505-G509 WeakPolarHBondContact CA-O 3.3Å; N505-G509 CarbonylContact O-C 3.6Å; N505-G509 VanDerWaalsContact O-C 3.24Å; N505-G509 PolarHBondContact O-N 2.78Å; G509-C515 PolarHBondContact O-SG 3.06Å; G509-C515 VanDerWaalsContact O-SG 3.33Å
510	V	95.5	Very high	97.5	Very high	29 Å²	29	19.5 Å²	19.5	18%	0.176	11%	0.11	C	C	.	.	S	Bend	trans	-78.2	-25.6	-173.2	-57.7	0	0	0	0	114.4	V217 Y218 I474 P475 F477	V217-V510 HydrophobicContact CG1-CG2 4.45Å; Y218-V510 HydrophobicContact CD1-CG1 4.19Å; Y218-V510 HydrophobicContact CD1-CG2 3.9Å; Y218-V510 HydrophobicContact CE1-CB 4.4Å; Y218-V510 HydrophobicContact CE1-CG1 3.96Å; Y218-V510 HydrophobicContact CE1-CG2 3.5Å; Y218-V510 VanDerWaalsContact CE1-CG2 3.5Å; I474-V510 HydrophobicContact CG2-CB 3.93Å; I474-V510 HydrophobicContact CG2-CG1 3.6Å; I474-V510 HydrophobicContact CG2-CG2 4.46Å; P475-V510 HydrophobicContact CG-CG1 3.98Å; F477-V510 HydrophobicContact CE1-CG1 3.89Å; F477-V510 HydrophobicContact CZ-CG1 4.01Å
511	A	95.4	Very high	97.6	Very high	51 Å²	51	23.8 Å²	23.8	42%	0.421	13%	0.13	S	C	.	.	S	Bend	trans	-70.3	144.5	179	0	0	0	0	0	111	G513 R514 C515	A511-G513 PolarHBondContact O-N 3.3Å; A511-R514 HydrophobicContact CB-CB 4.33Å; A511-R514 HydrophobicContact CB-CG 4.15Å; A511-R514 WeakPolarHBondContact O-CA 3.27Å; A511-R514 WeakPolarHBondContact O-CB 3.45Å; A511-R514 PolarHBondContact O-N 2.89Å; A511-C515 PolarHBondContact O-N 2.84Å
512	L	97.2	Very high	97.6	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.058	13%	0.126	C	C	.	.	H	α-helix	trans	-51	-47.1	176.6	-174.4	158.3	0	0	0	111.2	I65 I96 F115 V121 L282 L285 R514 C515 V516	I65-L512 HydrophobicContact CG1-CG 4.47Å; I96-L512 HydrophobicContact CD1-CD1 3.78Å; I96-L512 HydrophobicContact CG1-CD1 4.44Å; F115-L512 HydrophobicContact CB-CB 4.21Å; F115-L512 HydrophobicContact CB-CD1 4.5Å; F115-L512 HydrophobicContact CB-CD2 3.95Å; F115-L512 HydrophobicContact CB-CG 4.44Å; F115-L512 HydrophobicContact CD1-CD1 4.38Å; F115-L512 HydrophobicContact CD1-CD2 4.35Å; F115-L512 HydrophobicContact CG-CD2 4.2Å; V121-L512 HydrophobicContact CG1-CD2 4.09Å; L282-L512 HydrophobicContact CD1-CD1 4.01Å; L285-L512 HydrophobicContact CD2-CD2 4.5Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 2.87Å; L512-C515 WeakPolarHBondContact O-CB 3.34Å; L512-C515 PolarHBondContact O-N 2.9Å; L512-C515 VanDerWaalsContact O-N 3.08Å; L512-V516 HydrophobicContact CD2-CG2 3.93Å; L512-V516 WeakPolarHBondContact O-CG2 3.26Å; L512-V516 PolarHBondContact O-N 3.43Å
513	G	96.8	Very high	97.6	Very high	9 Å²	9	22.1 Å²	22.1	9%	0.093	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-33.2	179	0	0	0	0	0	114.1	A511 V516 E517	A511-G513 PolarHBondContact O-N 3.3Å; G513-V516 PolarHBondContact O-N 2.94Å; G513-E517 WeakPolarHBondContact O-CB 3.49Å; G513-E517 VanDerWaalsContact O-CG 3.32Å; G513-E517 WeakPolarHBondContact O-CG 3.28Å; G513-E517 PolarHBondContact O-N 2.91Å
514	R	96.8	Very high	97.6	Very high	85 Å²	85	24.2 Å²	24.2	32%	0.321	14%	0.138	S	C	.	.	H	α-helix	trans	-69.8	-36.9	173.5	-70.3	-58.7	-56	163.5	3.4	112.1	A508 A511 L512 V516 E517 G518	A508-R514 WeakPolarHBondContact CB-O 3.46Å; A508-R514 PolarHBondContact O-NE 3Å; A508-R514 VanDerWaalsContact O-NE 3.08Å; A508-R514 PolarHBondContact O-NH2 3.42Å; A511-R514 HydrophobicContact CB-CB 4.33Å; A511-R514 HydrophobicContact CB-CG 4.15Å; A511-R514 WeakPolarHBondContact O-CA 3.27Å; A511-R514 WeakPolarHBondContact O-CB 3.45Å; A511-R514 PolarHBondContact O-N 2.89Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 2.87Å; R514-V516 VanDerWaalsContact C-N 3.33Å; R514-V516 PolarHBondContact O-N 2.84Å; R514-E517 WeakPolarHBondContact CD-OE2 3.43Å; R514-E517 IonicContact CZ-OE2 3.33Å; R514-E517 IonicContact NE-OE2 2.9Å; R514-E517 IonicContact NH1-OE2 3.91Å; R514-E517 PolarHBondContact NH1-OE2 2.88Å; R514-E517 PolarHBondContact O-N 3.17Å; R514-G518 PolarHBondContact O-N 2.83Å
515	C	98.5	Very high	97.5	Very high	7 Å²	7	28.8 Å²	28.8	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-38.8	172.6	-71.8	0	0	0	0	112.5	I65 S66 G509 A511 L512 A519	I65-C515 HydrophobicContact CG2-CB 3.84Å; S66-C515 VanDerWaalsContact OG-CB 3.31Å; S66-C515 WeakPolarHBondContact OG-CB 3.41Å; G509-C515 PolarHBondContact O-SG 3.06Å; G509-C515 VanDerWaalsContact O-SG 3.33Å; A511-C515 PolarHBondContact O-N 2.84Å; L512-C515 WeakPolarHBondContact O-CB 3.34Å; L512-C515 PolarHBondContact O-N 2.9Å; L512-C515 VanDerWaalsContact O-N 3.08Å; C515-A519 WeakPolarHBondContact O-CB 3.41Å; C515-A519 PolarHBondContact O-N 3.21Å
516	V	98.6	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.8	-42	176	-177.1	0	0	0	0	111.3	I65 P120 V121 M124 L512 G513 R514 G518 A519 Y520	I65-V516 HydrophobicContact CG1-CG2 4.24Å; P120-V516 HydrophobicContact CB-CG1 4.46Å; V121-V516 HydrophobicContact CG2-CB 4.07Å; V121-V516 HydrophobicContact CG2-CG1 4.44Å; V121-V516 HydrophobicContact CG2-CG2 4.16Å; M124-V516 HydrophobicContact CB-CG1 3.92Å; M124-V516 HydrophobicContact CE-CG1 4.37Å; M124-V516 HydrophobicContact CG-CG1 4.32Å; L512-V516 HydrophobicContact CD2-CG2 3.93Å; L512-V516 WeakPolarHBondContact O-CG2 3.26Å; L512-V516 PolarHBondContact O-N 3.43Å; G513-V516 PolarHBondContact O-N 2.94Å; R514-V516 VanDerWaalsContact C-N 3.33Å; R514-V516 PolarHBondContact O-N 2.84Å; V516-G518 PolarHBondContact O-N 2.86Å; V516-A519 WeakPolarHBondContact O-CB 3.27Å; V516-A519 PolarHBondContact O-N 2.83Å; V516-Y520 HydrophobicContact CG1-CD2 4.33Å; V516-Y520 HydrophobicContact CG1-CE2 4.05Å; V516-Y520 WeakPolarHBondContact O-CD2 3.49Å; V516-Y520 PolarHBondContact O-N 3.14Å
517	E	98	Very high	97.5	Very high	36 Å²	36	28 Å²	28	17%	0.168	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-49.4	173.4	-79.4	167.2	-159.1	0	0	111.1	S118 P120 G513 R514 A519 Y520 E521	S118-E517 PolarHBondContact OG-OE1 2.93Å; P120-E517 HydrophobicContact CB-CG 3.79Å; P120-E517 HydrophobicContact CG-CG 3.71Å; G513-E517 WeakPolarHBondContact O-CB 3.49Å; G513-E517 VanDerWaalsContact O-CG 3.32Å; G513-E517 WeakPolarHBondContact O-CG 3.28Å; G513-E517 PolarHBondContact O-N 2.91Å; R514-E517 WeakPolarHBondContact CD-OE2 3.43Å; R514-E517 IonicContact CZ-OE2 3.33Å; R514-E517 IonicContact NE-OE2 2.9Å; R514-E517 IonicContact NH1-OE2 3.91Å; R514-E517 PolarHBondContact NH1-OE2 2.88Å; R514-E517 PolarHBondContact O-N 3.17Å; E517-A519 VanDerWaalsContact C-N 3.27Å; E517-A519 PolarHBondContact O-N 2.88Å; E517-Y520 PolarHBondContact O-N 2.87Å; E517-E521 PolarHBondContact O-N 3.28Å
518	G	98.3	Very high	97.5	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-31.5	175.8	0	0	0	0	0	113.7	R514 V516 E521 S522	R514-G518 PolarHBondContact O-N 2.83Å; V516-G518 PolarHBondContact O-N 2.86Å; G518-E521 PolarHBondContact O-N 2.84Å; G518-S522 WeakPolarHBondContact O-CB 3.49Å; G518-S522 PolarHBondContact O-N 2.92Å; G518-S522 PolarHBondContact O-OG 2.99Å
519	A	98.8	Very high	97.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-38.4	176	0	0	0	0	0	112.8	C69 T70 C515 V516 E517 A523	C69-A519 HydrophobicContact CB-CB 3.46Å; C69-A519 VanDerWaalsContact CB-CB 3.46Å; T70-A519 WeakPolarHBondContact OG1-CA 3.4Å; T70-A519 WeakPolarHBondContact OG1-CB 3.39Å; C515-A519 WeakPolarHBondContact O-CB 3.41Å; C515-A519 PolarHBondContact O-N 3.21Å; V516-A519 WeakPolarHBondContact O-CB 3.27Å; V516-A519 PolarHBondContact O-N 2.83Å; E517-A519 VanDerWaalsContact C-N 3.27Å; E517-A519 PolarHBondContact O-N 2.88Å; A519-A523 VanDerWaalsContact O-CB 3.31Å; A519-A523 WeakPolarHBondContact O-CB 3.21Å; A519-A523 PolarHBondContact O-N 3.35Å
520	Y	98.5	Very high	97.3	Very high	29 Å²	29	33 Å²	33	11%	0.114	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-38.1	172.5	-78.8	-72.7	0	0	0	112.1	A73 K77 P120 T123 M124 V516 E517 S524	A73-Y520 HydrophobicContact CB-CD1 3.71Å; A73-Y520 HydrophobicContact CB-CE1 3.82Å; A73-Y520 HydrophobicContact CB-CG 4.44Å; K77-Y520 HydrophobicContact CD-CD1 3.91Å; K77-Y520 HydrophobicContact CD-CE1 4.06Å; P120-Y520 HydrophobicContact CB-CD2 4.02Å; P120-Y520 HydrophobicContact CB-CE2 4.02Å; T123-Y520 WeakPolarHBondContact CG2-OH 2.88Å; M124-Y520 HydrophobicContact CE-CE1 4.37Å; M124-Y520 HydrophobicContact CE-CE2 3.84Å; V516-Y520 HydrophobicContact CG1-CD2 4.33Å; V516-Y520 HydrophobicContact CG1-CE2 4.05Å; V516-Y520 WeakPolarHBondContact O-CD2 3.49Å; V516-Y520 PolarHBondContact O-N 3.14Å; E517-Y520 PolarHBondContact O-N 2.87Å; Y520-S524 PolarHBondContact O-N 3.47Å; Y520-S524 VanDerWaalsContact O-N 3.09Å
521	E	98.3	Very high	97.1	Very high	102 Å²	102	35.2 Å²	35.2	48%	0.477	19%	0.188	S	C	.	.	H	α-helix	trans	-63.1	-46.9	175.3	-66.7	168.4	-173.1	0	0	110.8	E517 G518 S524 Q525	E517-E521 PolarHBondContact O-N 3.28Å; G518-E521 PolarHBondContact O-N 2.84Å; E521-S524 PolarHBondContact O-N 2.92Å; E521-Q525 WeakPolarHBondContact O-CG 3.26Å; E521-Q525 PolarHBondContact O-N 2.85Å; E521-Q525 VanDerWaalsContact O-N 3.1Å
522	S	98.4	Very high	96.6	Very high	11 Å²	11	39.8 Å²	39.8	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-45.2	175.5	-65.7	0	0	0	0	112.2	G518 S524 Q525 I526	G518-S522 WeakPolarHBondContact O-CB 3.49Å; G518-S522 PolarHBondContact O-N 2.92Å; G518-S522 PolarHBondContact O-OG 2.99Å; S522-S524 VanDerWaalsContact C-N 3.29Å; S522-S524 PolarHBondContact O-N 3.11Å; S522-Q525 PolarHBondContact O-N 3.21Å; S522-I526 WeakPolarHBondContact O-CB 3.4Å; S522-I526 WeakPolarHBondContact O-CD1 3.49Å; S522-I526 VanDerWaalsContact O-CG1 3.23Å; S522-I526 WeakPolarHBondContact O-CG1 3.27Å; S522-I526 PolarHBondContact O-N 3.3Å
523	A	98.6	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-39.8	178	0	0	0	0	0	112.2	T70 A73 L74 A519 S527	T70-A523 HydrophobicContact CG2-CB 4.47Å; A73-A523 HydrophobicContact CB-CB 3.72Å; L74-A523 HydrophobicContact CD2-CB 4.06Å; L74-A523 WeakPolarHBondContact CD2-O 3.47Å; L74-A523 HydrophobicContact CG-CB 3.87Å; A519-A523 VanDerWaalsContact O-CB 3.31Å; A519-A523 WeakPolarHBondContact O-CB 3.21Å; A519-A523 PolarHBondContact O-N 3.35Å; A523-S527 VanDerWaalsContact O-CB 3.27Å; A523-S527 WeakPolarHBondContact O-CB 3.28Å; A523-S527 PolarHBondContact O-N 3Å
524	S	98.1	Very high	94	Very high	45 Å²	45	44.9 Å²	44.9	32%	0.315	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-48.5	174.9	-165	0	0	0	0	111.7	Y520 E521 S522 I526 S527 D528	Y520-S524 PolarHBondContact O-N 3.47Å; Y520-S524 VanDerWaalsContact O-N 3.09Å; E521-S524 PolarHBondContact O-N 2.92Å; S522-S524 VanDerWaalsContact C-N 3.29Å; S522-S524 PolarHBondContact O-N 3.11Å; S524-I526 VanDerWaalsContact C-N 3.33Å; S524-I526 PolarHBondContact O-N 3.43Å; S524-S527 PolarHBondContact O-N 2.63Å; S524-D528 WeakPolarHBondContact O-CB 3.23Å; S524-D528 PolarHBondContact O-N 3.43Å
525	Q	97.5	Very high	92.1	Very high	100 Å²	100	50.5 Å²	50.5	47%	0.467	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-41.9	179.8	-70.1	173.8	5.9	0	0	112.3	F501 E521 S522 Y529	F501-Q525 HydrophobicContact CD1-CB 4.46Å; F501-Q525 HydrophobicContact CE1-CB 4.11Å; E521-Q525 WeakPolarHBondContact O-CG 3.26Å; E521-Q525 PolarHBondContact O-N 2.85Å; E521-Q525 VanDerWaalsContact O-N 3.1Å; S522-Q525 PolarHBondContact O-N 3.21Å; Q525-Y529 WeakPolarHBondContact O-CB 3.47Å; Q525-Y529 PolarHBondContact O-N 3.18Å
526	I	97.9	Very high	89.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-46.3	177.3	-67.7	160.5	0	0	0	110.3	C58 T70 L74 T331 V333 F501 S522 S524 D528 Y529 L530	C58-I526 HydrophobicContact CB-CG2 4.22Å; T70-I526 HydrophobicContact CG2-CD1 4Å; L74-I526 HydrophobicContact CD1-CD1 4.24Å; L74-I526 HydrophobicContact CD1-CG2 4.15Å; L74-I526 HydrophobicContact CD2-CB 4.06Å; L74-I526 HydrophobicContact CD2-CG2 3.82Å; T331-I526 HydrophobicContact CG2-CG2 4.45Å; V333-I526 HydrophobicContact CB-CD1 3.92Å; V333-I526 HydrophobicContact CG1-CD1 3.86Å; V333-I526 HydrophobicContact CG2-CD1 4.42Å; F501-I526 HydrophobicContact CD2-CD1 4.49Å; F501-I526 HydrophobicContact CD2-CG1 3.63Å; F501-I526 HydrophobicContact CE2-CB 4.44Å; F501-I526 HydrophobicContact CE2-CG1 3.73Å; F501-I526 HydrophobicContact CG-CG1 4.2Å; F501-I526 HydrophobicContact CZ-CG1 4.37Å; S522-I526 WeakPolarHBondContact O-CB 3.4Å; S522-I526 WeakPolarHBondContact O-CD1 3.49Å; S522-I526 VanDerWaalsContact O-CG1 3.23Å; S522-I526 WeakPolarHBondContact O-CG1 3.27Å; S522-I526 PolarHBondContact O-N 3.3Å; S524-I526 VanDerWaalsContact C-N 3.33Å; S524-I526 PolarHBondContact O-N 3.43Å; I526-D528 PolarHBondContact O-N 3.45Å; I526-Y529 PolarHBondContact O-N 3.18Å; I526-L530 HydrophobicContact CG2-CD1 3.88Å; I526-L530 HydrophobicContact CG2-CG 4.36Å; I526-L530 WeakPolarHBondContact O-CB 3.44Å; I526-L530 WeakPolarHBondContact O-CG 3.32Å; I526-L530 PolarHBondContact O-N 3.26Å
527	S	97.3	Very high	89.4	Confident	14 Å²	14	63.2 Å²	63.2	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-43.2	178	177.9	0	0	0	0	112.2	H78 A523 S524 Y529 L530 T531	H78-S527 WeakPolarHBondContact ND1-CB 3.49Å; H78-S527 PolarHBondContact ND1-OG 2.85Å; A523-S527 VanDerWaalsContact O-CB 3.27Å; A523-S527 WeakPolarHBondContact O-CB 3.28Å; A523-S527 PolarHBondContact O-N 3Å; S524-S527 PolarHBondContact O-N 2.63Å; S527-Y529 VanDerWaalsContact C-N 3.31Å; S527-Y529 PolarHBondContact O-N 3.05Å; S527-L530 PolarHBondContact O-N 3.32Å; S527-T531 WeakPolarHBondContact O-CB 3.5Å; S527-T531 PolarHBondContact O-N 3.07Å; S527-T531 PolarHBondContact O-OG1 3.34Å
528	D	96.4	Very high	88.9	Confident	86 Å²	86	64.6 Å²	64.6	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176.3	-69.8	-20.7	0	0	0	111.3	S524 I526 K532	S524-D528 WeakPolarHBondContact O-CB 3.23Å; S524-D528 PolarHBondContact O-N 3.43Å; I526-D528 PolarHBondContact O-N 3.45Å; D528-K532 WeakPolarHBondContact O-CG 3.32Å; D528-K532 PolarHBondContact O-N 3.1Å
529	Y	94.8	Very high	88.4	Confident	55 Å²	55	67.9 Å²	67.9	22%	0.216	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-49.1	175.9	-175.5	-91.8	0	0	0	111.9	T331 D498 F501 Q525 I526 S527 T531 K532 Y533	T331-Y529 HydrophobicContact CG2-CD1 3.33Å; T331-Y529 HydrophobicContact CG2-CE1 3.77Å; T331-Y529 HydrophobicContact CG2-CG 4.32Å; D498-Y529 HydrophobicContact CB-CE2 3.83Å; D498-Y529 PolarHBondContact O-OH 3.01Å; D498-Y529 VanDerWaalsContact O-OH 3.07Å; F501-Y529 HydrophobicContact CZ-CG 4.16Å; Q525-Y529 WeakPolarHBondContact O-CB 3.47Å; Q525-Y529 PolarHBondContact O-N 3.18Å; I526-Y529 PolarHBondContact O-N 3.18Å; S527-Y529 VanDerWaalsContact C-N 3.31Å; S527-Y529 PolarHBondContact O-N 3.05Å; Y529-T531 VanDerWaalsContact C-N 3.26Å; Y529-T531 PolarHBondContact O-N 3.12Å; Y529-K532 PolarHBondContact O-N 3.22Å; Y529-K532 VanDerWaalsContact O-N 3.15Å; Y529-Y533 AromaticContact CE1-CD2 3.84Å; Y529-Y533 HydrophobicContact CE1-CD2 3.84Å; Y529-Y533 WeakPolarHBondContact O-CB 3.32Å; Y529-Y533 PolarHBondContact O-N 3.01Å
530	L	94.1	Very high	87.8	Confident	18 Å²	18	71.9 Å²	71.9	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-37.2	178.7	-73	172.3	0	0	0	112.1	D57 V80 K330 T331 I526 S527 Y533 A534	D57-L530 HydrophobicContact CB-CD1 4.12Å; D57-L530 HydrophobicContact CB-CD2 4.17Å; V80-L530 HydrophobicContact CG1-CD1 3.77Å; V80-L530 HydrophobicContact CG2-CD1 4.24Å; K330-L530 HydrophobicContact CB-CD2 3.77Å; K330-L530 HydrophobicContact CD-CD2 4.07Å; T331-L530 HydrophobicContact CG2-CD2 3.76Å; T331-L530 HydrophobicContact CG2-CG 4Å; I526-L530 HydrophobicContact CG2-CD1 3.88Å; I526-L530 HydrophobicContact CG2-CG 4.36Å; I526-L530 WeakPolarHBondContact O-CB 3.44Å; I526-L530 WeakPolarHBondContact O-CG 3.32Å; I526-L530 PolarHBondContact O-N 3.26Å; S527-L530 PolarHBondContact O-N 3.32Å; L530-Y533 WeakPolarHBondContact O-CB 3.42Å; L530-Y533 PolarHBondContact O-N 3.18Å; L530-A534 PolarHBondContact O-N 3.44Å; L530-A534 VanDerWaalsContact O-N 3.09Å
531	T	91.3	Very high	87.1	Confident	74 Å²	74	74.6 Å²	74.6	45%	0.454	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-47.3	175.2	-57	0	0	0	0	110.7	S527 Y529 Y533 A534 Y535	S527-T531 WeakPolarHBondContact O-CB 3.5Å; S527-T531 PolarHBondContact O-N 3.07Å; S527-T531 PolarHBondContact O-OG1 3.34Å; Y529-T531 VanDerWaalsContact C-N 3.26Å; Y529-T531 PolarHBondContact O-N 3.12Å; T531-Y533 VanDerWaalsContact C-N 3.26Å; T531-Y533 PolarHBondContact O-N 3.38Å; T531-A534 PolarHBondContact O-N 3.13Å; T531-Y535 HydrophobicContact CG2-CE2 4.03Å; T531-Y535 WeakPolarHBondContact O-CD2 3.4Å
532	K	85.4	Confident	86.4	Confident	148 Å²	148	72.7 Å²	72.7	64%	0.643	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-29.6	175.8	-70.1	172.8	-175.8	173.6	0	112.8	D528 Y529 Y535	D528-K532 WeakPolarHBondContact O-CG 3.32Å; D528-K532 PolarHBondContact O-N 3.1Å; Y529-K532 PolarHBondContact O-N 3.22Å; Y529-K532 VanDerWaalsContact O-N 3.15Å; K532-Y535 PolarHBondContact O-N 3.22Å
533	Y	73	Confident	85.5	Confident	45 Å²	45	77.1 Å²	77.1	18%	0.176	38%	0.379	C	S	.	.	H	α-helix	trans	-66.2	-38.8	176.2	-165.8	-82.3	0	0	0	111.6	N311 K312 K330 Y529 L530 T531 Y535 K536	N311-Y533 PolarHBondContact O-OH 3.11Å; K312-Y533 HydrophobicContact CB-CE2 3.81Å; K312-Y533 WeakPolarHBondContact O-CE2 3.39Å; K330-Y533 HydrophobicContact CD-CD1 3.98Å; K330-Y533 HydrophobicContact CD-CE1 3.9Å; K330-Y533 HydrophobicContact CG-CE1 4.09Å; Y529-Y533 AromaticContact CE1-CD2 3.84Å; Y529-Y533 HydrophobicContact CE1-CD2 3.84Å; Y529-Y533 WeakPolarHBondContact O-CB 3.32Å; Y529-Y533 PolarHBondContact O-N 3.01Å; L530-Y533 WeakPolarHBondContact O-CB 3.42Å; L530-Y533 PolarHBondContact O-N 3.18Å; T531-Y533 VanDerWaalsContact C-N 3.26Å; T531-Y533 PolarHBondContact O-N 3.38Å; Y533-Y535 PolarHBondContact O-N 2.69Å; Y533-K536 PolarHBondContact O-N 3.46Å
534	A	66.7	Low	84.5	Confident	82 Å²	82	83.1 Å²	83.1	68%	0.678	41%	0.409	S	S	*	.	H	α-helix	trans	-67.1	-19.1	179.7	0	0	0	0	0	114.4	L530 T531	L530-A534 PolarHBondContact O-N 3.44Å; L530-A534 VanDerWaalsContact O-N 3.09Å; T531-A534 PolarHBondContact O-N 3.13Å
535	Y	55.2	Low	83.4	Confident	202 Å²	202	86.3 Å²	86.3	79%	0.792	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	0.5	178.4	-69.7	-75.9	0	0	0	114.1	T531 K532 Y533	T531-Y535 HydrophobicContact CG2-CE2 4.03Å; T531-Y535 WeakPolarHBondContact O-CD2 3.4Å; K532-Y535 PolarHBondContact O-N 3.22Å; Y533-Y535 PolarHBondContact O-N 2.69Å
536	K	51.2	Low	82.1	Confident	211 Å²	211	85 Å²	85	92%	0.917	41%	0.412	S	S	*	.			trans	-114.4	0	177.6	-72.4	-173.2	179.4	-179	0	111.2	Y533	Y533-K536 PolarHBondContact O-N 3.46Å

Retrieved 536 of 536 residues in 2181 ms (Link to these results)

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