A0A077Z6N2_TRITR Loading...

Tripartite motif containing protein 71

AlphaFold DB , UniProt , Accession A0A077Z6N2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 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	29.4	Very low	27	Very low	233 Å²	233	158.1 Å²	158.1	100%	1.148	80%	0.8	S	S	*	*				0	88.7	0	-71.4	-163	-83.9	0	0	108.1
2	I	30	Very low	27.3	Very low	171 Å²	171	151.7 Å²	151.7	88%	0.877	78%	0.781	S	S	*	*			trans	-126.1	98	169.9	-64.3	176.5	0	0	0	104
3	N	25.8	Very low	27.1	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	76%	0.758	S	S	*	*			trans	-78.4	150.7	-178.9	-79.7	-12.2	0	0	0	110.3
4	D	26.2	Very low	27.4	Very low	125 Å²	125	144.1 Å²	144.1	67%	0.668	76%	0.758	S	S	*	*			trans	69.9	79	154.3	-52.7	-25.7	0	0	0	117.3	W6	D4-W6 PolarHBondContact O-N 2.87Å
5	Y	27	Very low	27.3	Very low	218 Å²	218	147.5 Å²	147.5	86%	0.855	76%	0.759	S	S	*	*			trans	-57.6	100.5	147.6	-77.8	-89.5	0	0	0	108.9	L7	Y5-L7 PolarHBondContact O-N 2.77Å
6	W	25	Very low	27.5	Very low	227 Å²	227	144.2 Å²	144.2	86%	0.86	75%	0.747	S	S	*	*			trans	-66.6	88.4	157	-74.5	83.5	0	0	0	107.9	D4 H8	D4-W6 PolarHBondContact O-N 2.87Å; W6-H8 PolarHBondContact O-N 3.41Å
7	L	22.7	Very low	27.3	Very low	163 Å²	163	140.8 Å²	140.8	85%	0.853	74%	0.737	S	S	*	*			trans	-61.6	85.6	162.7	-82.7	144	0	0	0	108.4	Y5	Y5-L7 PolarHBondContact O-N 2.77Å
8	H	25.3	Very low	27.5	Very low	158 Å²	158	140.4 Å²	140.4	73%	0.731	73%	0.734	S	S	*	*			trans	-80.7	137.7	162.2	-114.4	-72	0	0	0	108.9	W6 C10	W6-H8 PolarHBondContact O-N 3.41Å; H8-C10 PolarHBondContact O-N 2.92Å
9	P	27.3	Very low	27.3	Very low	126 Å²	126	138.1 Å²	138.1	82%	0.818	73%	0.73	S	S	*	*	S	Bend	trans	-79	19.8	-155.5	-8.9	25.8	0	0	0	116.3
10	C	28.6	Very low	27.3	Very low	60 Å²	60	135.9 Å²	135.9	41%	0.405	72%	0.722	S	S	.	*			trans	-106.9	83.5	174.7	-168.1	0	0	0	0	109.9	H8 S12	H8-C10 PolarHBondContact O-N 2.92Å; C10-S12 PolarHBondContact O-N 3.44Å; C10-S12 VanDerWaalsContact O-N 3.13Å
11	S	30	Very low	27.2	Very low	125 Å²	125	135.2 Å²	135.2	87%	0.874	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	9	175.9	52	0	0	0	0	114
12	S	30.1	Very low	27.1	Very low	81 Å²	81	133.8 Å²	133.8	57%	0.566	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1.9	-179.8	-35.5	0	0	0	0	113.7	C10 V14	C10-S12 PolarHBondContact O-N 3.44Å; C10-S12 VanDerWaalsContact O-N 3.13Å; S12-V14 PolarHBondContact O-N 3.04Å
13	C	25.5	Very low	27	Very low	72 Å²	72	131.4 Å²	131.4	49%	0.486	71%	0.706	S	S	.	*			trans	-72.2	84	-180	-65.4	0	0	0	0	110.9	Y15	C13-Y15 PolarHBondContact O-N 3.15Å
14	V	30.3	Very low	27.3	Very low	125 Å²	125	130 Å²	130	76%	0.758	71%	0.706	S	S	*	*			trans	-77.7	103.9	166.5	-178.3	0	0	0	0	108	S12 V16	S12-V14 PolarHBondContact O-N 3.04Å; V14-V16 HydrophobicContact CG1-CG2 4.44Å; V14-V16 PolarHBondContact O-N 3.15Å
15	Y	26.3	Very low	27.4	Very low	196 Å²	196	129 Å²	129	77%	0.769	72%	0.715	S	S	*	*			trans	-60.7	96.9	168	-71.6	-94	0	0	0	108.9	C13 C17	C13-Y15 PolarHBondContact O-N 3.15Å; Y15-C17 VanDerWaalsContact C-N 3.32Å; Y15-C17 PolarHBondContact O-N 3.43Å
16	V	30.8	Very low	27.4	Very low	94 Å²	94	124.5 Å²	124.5	57%	0.57	71%	0.711	S	S	*	*			trans	-75.8	94.6	170.7	-176	0	0	0	0	107.7	V14 I18	V14-V16 HydrophobicContact CG1-CG2 4.44Å; V14-V16 PolarHBondContact O-N 3.15Å; V16-I18 VanDerWaalsContact C-N 3.3Å; V16-I18 HydrophobicContact CG1-CG1 3.9Å; V16-I18 PolarHBondContact O-N 3.24Å
17	C	24.4	Very low	27.5	Very low	86 Å²	86	121.8 Å²	121.8	58%	0.581	71%	0.706	S	S	*	*			trans	-63.2	95.6	158	-156.8	0	0	0	0	106.3	Y15 C19	Y15-C17 VanDerWaalsContact C-N 3.32Å; Y15-C17 PolarHBondContact O-N 3.43Å; C17-C19 PolarHBondContact O-N 3.2Å
18	I	30.3	Very low	27.6	Very low	134 Å²	134	121.1 Å²	121.1	69%	0.687	70%	0.702	S	S	*	*			trans	-70.7	90.9	166.8	-54.5	177.1	0	0	0	105	V16 V20	V16-I18 VanDerWaalsContact C-N 3.3Å; V16-I18 HydrophobicContact CG1-CG1 3.9Å; V16-I18 PolarHBondContact O-N 3.24Å; I18-V20 HydrophobicContact CG2-CG2 3.64Å; I18-V20 PolarHBondContact O-N 3.41Å
19	C	23.2	Very low	27.6	Very low	96 Å²	96	121.2 Å²	121.2	65%	0.649	71%	0.707	S	S	*	*			trans	-62.9	84.2	162.8	-75.4	0	0	0	0	107	C17 P21	C17-C19 PolarHBondContact O-N 3.2Å; C19-P21 WeakPolarHBondContact O-CD 3.39Å
20	V	27.3	Very low	27.6	Very low	94 Å²	94	118.5 Å²	118.5	57%	0.57	69%	0.688	S	S	*	*			trans	-73.1	117.1	161.6	-167.9	0	0	0	0	105.1	I18 Y22	I18-V20 HydrophobicContact CG2-CG2 3.64Å; I18-V20 PolarHBondContact O-N 3.41Å; V20-Y22 HydrophobicContact CG1-CD2 3.78Å; V20-Y22 HydrophobicContact CG1-CE2 4.4Å; V20-Y22 PolarHBondContact O-N 3.31Å
21	P	25.7	Very low	27.4	Very low	123 Å²	123	126.6 Å²	126.6	80%	0.799	71%	0.71	S	S	*	*			trans	-75.6	75.2	179.8	32.1	-32.2	0	0	0	108.4	C19	C19-P21 WeakPolarHBondContact O-CD 3.39Å
22	Y	27.7	Very low	27.5	Very low	203 Å²	203	126.5 Å²	126.5	80%	0.796	69%	0.694	S	S	*	*			trans	-116.9	114.8	161.2	-88.4	-82	0	0	0	108.2	V20	V20-Y22 HydrophobicContact CG1-CD2 3.78Å; V20-Y22 HydrophobicContact CG1-CE2 4.4Å; V20-Y22 PolarHBondContact O-N 3.31Å
23	C	27.9	Very low	27.8	Very low	121 Å²	121	127.6 Å²	127.6	82%	0.818	70%	0.702	S	S	*	*	S	Bend	trans	4	128.9	153.1	-121.8	0	0	0	0	116.1
24	S	31.7	Very low	28.6	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	69%	0.693	S	S	*	*	S	Bend	trans	79.1	91.2	162.2	70.1	0	0	0	0	119	T26	S24-T26 PolarHBondContact O-N 3.03Å; S24-T26 PolarHBondContact O-OG1 3.29Å
25	A	29.4	Very low	29.4	Very low	104 Å²	104	122.8 Å²	122.8	86%	0.86	67%	0.667	S	S	*	*	S	Bend		48.7	15.8	129.1	0	0	0	0	0	122.9
26	T	26.8	Very low	30.2	Very low	125 Å²	125	119.2 Å²	119.2	77%	0.767	66%	0.661	S	S	*	*			trans	-131.3	97	174.7	-2.8	0	0	0	0	112.2	S24 L28	S24-T26 PolarHBondContact O-N 3.03Å; S24-T26 PolarHBondContact O-OG1 3.29Å; T26-L28 PolarHBondContact O-N 3.08Å
27	F	26.3	Very low	31.1	Very low	170 Å²	170	118.5 Å²	118.5	75%	0.746	66%	0.66	S	S	*	*			trans	-79.8	96.5	171.4	-69.4	-84.9	0	0	0	109.4	L29	F27-L29 PolarHBondContact O-N 3.33Å; F27-L29 VanDerWaalsContact O-N 3.16Å
28	L	25.4	Very low	32.2	Very low	148 Å²	148	115 Å²	115	78%	0.775	64%	0.635	S	S	*	*			trans	-77.7	97.3	167.8	-143.1	100	0	0	0	108.1	T26 V30	T26-L28 PolarHBondContact O-N 3.08Å; L28-V30 VanDerWaalsContact C-N 3.32Å; L28-V30 HydrophobicContact CD2-CG2 3.87Å; L28-V30 PolarHBondContact O-N 2.9Å
29	L	25.2	Very low	33.4	Very low	160 Å²	160	113.8 Å²	113.8	84%	0.838	62%	0.623	S	S	*	*			trans	-66.1	87.4	172.2	-90.4	154.5	0	0	0	109.8	F27 R31	F27-L29 PolarHBondContact O-N 3.33Å; F27-L29 VanDerWaalsContact O-N 3.16Å; L29-R31 PolarHBondContact O-N 3.3Å
30	V	27	Very low	35	Very low	70 Å²	70	110.2 Å²	110.2	42%	0.424	60%	0.6	S	S	.	*			trans	-84.4	111.5	168.1	-174.1	0	0	0	0	107.9	L28 F32	L28-V30 VanDerWaalsContact C-N 3.32Å; L28-V30 HydrophobicContact CD2-CG2 3.87Å; L28-V30 PolarHBondContact O-N 2.9Å; V30-F32 HydrophobicContact CB-CD2 4.35Å; V30-F32 HydrophobicContact CB-CE2 4.19Å; V30-F32 HydrophobicContact CG1-CD2 3.77Å; V30-F32 HydrophobicContact CG1-CE2 3.37Å; V30-F32 HydrophobicContact CG1-CZ 4.1Å; V30-F32 PolarHBondContact O-N 3.09Å; V30-F32 VanDerWaalsContact O-N 3.14Å
31	R	24.1	Very low	36.9	Very low	229 Å²	229	108.2 Å²	108.2	86%	0.864	59%	0.585	S	S	*	*			trans	-61.9	110.6	173	-76.7	-177.2	174.3	-178.7	-2.4	109.7	L29	L29-R31 PolarHBondContact O-N 3.3Å
32	F	32.2	Very low	39.4	Very low	123 Å²	123	102.4 Å²	102.4	54%	0.539	55%	0.547	S	S	.	.			trans	-118.5	106.5	160.9	-79.3	-75.4	0	0	0	108.4	V30 V34	V30-F32 HydrophobicContact CB-CD2 4.35Å; V30-F32 HydrophobicContact CB-CE2 4.19Å; V30-F32 HydrophobicContact CG1-CD2 3.77Å; V30-F32 HydrophobicContact CG1-CE2 3.37Å; V30-F32 HydrophobicContact CG1-CZ 4.1Å; V30-F32 PolarHBondContact O-N 3.09Å; V30-F32 VanDerWaalsContact O-N 3.14Å; F32-V34 HydrophobicContact CB-CG2 4.03Å; F32-V34 HydrophobicContact CD1-CG2 4.07Å; F32-V34 HydrophobicContact CG-CG2 4.49Å; F32-V34 PolarHBondContact O-N 3.4Å
33	S	35.9	Very low	42	Very low	104 Å²	104	95.1 Å²	95.1	73%	0.727	52%	0.52	S	S	*	.			trans	-78.2	38.3	171.4	-37	0	0	0	0	111.3	H35	S33-H35 PolarHBondContact O-N 3.05Å
34	V	41.7	Very low	44.6	Very low	51 Å²	51	89.4 Å²	89.4	31%	0.309	48%	0.481	S	S	.	.			trans	-87	118.1	-176.4	-175.1	0	0	0	0	106.9	F32 L36	F32-V34 HydrophobicContact CB-CG2 4.03Å; F32-V34 HydrophobicContact CD1-CG2 4.07Å; F32-V34 HydrophobicContact CG-CG2 4.49Å; F32-V34 PolarHBondContact O-N 3.4Å; V34-L36 HydrophobicContact CB-CG 4.4Å; V34-L36 HydrophobicContact CG1-CG 4.16Å; V34-L36 PolarHBondContact O-N 3.17Å
35	H	48.1	Very low	46.8	Very low	45 Å²	45	87.8 Å²	87.8	21%	0.208	46%	0.462	C	S	.	.			trans	-66.8	76.4	168.8	-66.8	60.2	0	0	0	107.2	S33 S37 D38	S33-H35 PolarHBondContact O-N 3.05Å; H35-S37 PolarHBondContact O-N 3.31Å; H35-S37 VanDerWaalsContact O-N 3.11Å; H35-D38 HydrophobicContact CB-CB 4.19Å; H35-D38 CarbonylContact O-C 3.59Å; H35-D38 WeakPolarHBondContact O-CA 3.5Å; H35-D38 PolarHBondContact O-N 3.38Å; H35-D38 VanDerWaalsContact O-O 3.14Å
36	L	43.9	Very low	49.2	Very low	121 Å²	121	90 Å²	90	63%	0.634	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.2	-174	-92.8	144.8	0	0	0	112.6	V34 D38	V34-L36 HydrophobicContact CB-CG 4.4Å; V34-L36 HydrophobicContact CG1-CG 4.16Å; V34-L36 PolarHBondContact O-N 3.17Å; L36-D38 VanDerWaalsContact C-N 3.31Å
37	S	48.1	Very low	51.6	Low	79 Å²	79	85.9 Å²	85.9	55%	0.552	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-31	171	56.6	0	0	0	0	113	H35 Y39	H35-S37 PolarHBondContact O-N 3.31Å; H35-S37 VanDerWaalsContact O-N 3.11Å; S37-Y39 PolarHBondContact O-N 3.03Å
38	D	47.6	Very low	54	Low	13 Å²	13	79.7 Å²	79.7	7%	0.07	40%	0.398	C	S	.	.	S	Bend	trans	-98.1	79.7	178.8	-64.5	5.7	0	0	0	106.8	H35 L36 A40 C52 R54 V295	H35-D38 HydrophobicContact CB-CB 4.19Å; H35-D38 CarbonylContact O-C 3.59Å; H35-D38 WeakPolarHBondContact O-CA 3.5Å; H35-D38 PolarHBondContact O-N 3.38Å; H35-D38 VanDerWaalsContact O-O 3.14Å; L36-D38 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 3.48Å; D38-C52 HydrophobicContact CB-CB 3.63Å; D38-R54 IonicContact OD2-NE 2.88Å; D38-V295 VanDerWaalsContact OD1-CG1 3.3Å; D38-V295 WeakPolarHBondContact OD1-CG1 3.48Å
39	Y	56.3	Low	56.4	Low	109 Å²	109	75.1 Å²	75.1	43%	0.427	38%	0.375	S	S	.	.			trans	-34.5	107.6	179.8	-59.6	-92.1	0	0	0	111.5	S37 H41 R339 G340	S37-Y39 PolarHBondContact O-N 3.03Å; Y39-H41 PolarHBondContact O-CD2 3.04Å; Y39-H41 PolarHBondContact O-N 3.38Å; Y39-R339 VanDerWaalsContact CB-O 3.31Å; Y39-R339 WeakPolarHBondContact CB-O 3.24Å; Y39-R339 HydrophobicContact CD2-CB 3.84Å; Y39-R339 HydrophobicContact CE2-CB 4.08Å; Y39-R339 PolarHBondContact OH-NH2 3.38Å; Y39-R339 VanDerWaalsContact OH-NH2 3.17Å; Y39-G340 VanDerWaalsContact O-CA 3.24Å; Y39-G340 WeakPolarHBondContact O-CA 3.11Å
40	A	56.2	Low	58.8	Low	21 Å²	21	69.6 Å²	69.6	17%	0.174	35%	0.346	C	S	.	.			trans	-77.1	110.9	-165.7	0	0	0	0	0	111	D38 L50	D38-A40 PolarHBondContact O-N 3.48Å; A40-L50 HydrophobicContact CB-CB 3.8Å
41	H	68.3	Low	61.3	Low	52 Å²	52	67 Å²	67	24%	0.241	33%	0.329	C	S	.	.			trans	-126.1	13.9	-179.8	-63.5	-69.7	0	0	0	114.3	Y39 A67 G340	Y39-H41 PolarHBondContact O-CD2 3.04Å; Y39-H41 PolarHBondContact O-N 3.38Å; H41-A67 HydrophobicContact CB-CB 4.18Å; H41-A67 VanDerWaalsContact O-CB 3.31Å; H41-A67 WeakPolarHBondContact O-CB 3.31Å; H41-A67 PolarHBondContact O-N 3.47Å; H41-G340 WeakPolarHBondContact CB-O 3.4Å; H41-G340 VanDerWaalsContact CD2-C 3.5Å; H41-G340 PolarHBondContact CD2-O 3.33Å
42	I	77.1	Confident	63.8	Low	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.2	167.4	-57.8	174.8	0	0	0	107.9	L50 I51 P53 A56 L64 R65 I72 L299 F337	I42-L50 CarbonylContact O-C 3.58Å; I42-L50 WeakPolarHBondContact O-CA 3.27Å; I42-I51 HydrophobicContact CB-CG1 3.9Å; I42-I51 HydrophobicContact CG2-CD1 4.32Å; I42-I51 HydrophobicContact CG2-CG1 3.99Å; I42-I51 PolarHBondContact N-O 3.32Å; I42-I51 PolarHBondContact O-N 2.95Å; I42-P53 HydrophobicContact CD1-CB 4.36Å; I42-P53 HydrophobicContact CD1-CG 4.09Å; I42-A56 HydrophobicContact CD1-CB 4.12Å; I42-L64 HydrophobicContact CG2-CB 4.03Å; I42-L64 HydrophobicContact CG2-CD2 4.49Å; I42-R65 CarbonylContact C-O 3.39Å; I42-R65 WeakPolarHBondContact CA-O 3.46Å; I42-I72 HydrophobicContact CD1-CD1 4.04Å; I42-I72 HydrophobicContact CG1-CD1 3.93Å; I42-I72 HydrophobicContact CG2-CD1 3.9Å; I42-L299 HydrophobicContact CD1-CD2 4.01Å; I42-F337 HydrophobicContact CD1-CZ 4.17Å; I42-F337 HydrophobicContact CG1-CE1 4.4Å; I42-F337 HydrophobicContact CG1-CZ 4.4Å
43	F	81.9	Confident	66.1	Low	50 Å²	50	50.5 Å²	50.5	22%	0.219	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.5	175.3	-173.1	-105	0	0	0	110.4	E45 L48 L50 R65	F43-E45 HydrophobicContact CD1-CG 4.38Å; F43-E45 HydrophobicContact CE1-CG 4.47Å; F43-L48 HydrophobicContact CE1-CD2 4.26Å; F43-L48 HydrophobicContact CZ-CB 4.34Å; F43-L48 HydrophobicContact CZ-CD2 3.83Å; F43-L50 HydrophobicContact CB-CD2 4.26Å; F43-L50 HydrophobicContact CD2-CD2 4.25Å; F43-R65 PolarHBondContact N-O 3.28Å; F43-R65 PolarHBondContact O-N 3.43Å
44	C	82.5	Confident	68.2	Low	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.6	174.8	176.8	0	0	0	0	109.6	R46 C47 L48 N49 I51 H59 H62 L64	C44-R46 VanDerWaalsContact C-N 3.31Å; C44-R46 PolarHBondContact O-N 3.2Å; C44-C47 HydrophobicContact CB-CB 4.04Å; C44-C47 PolarHBondContact O-N 3.05Å; C44-C47 VanDerWaalsContact SG-CB 3.56Å; C44-C47 PolarHBondContact SG-SG 2.94Å; C44-L48 WeakPolarHBondContact O-CA 3.48Å; C44-L48 PolarHBondContact O-N 3.32Å; C44-N49 PolarHBondContact N-O 3.48Å; C44-I51 HydrophobicContact CB-CD1 4.4Å; C44-H59 PolarHBondContact SG-ND1 3.33Å; C44-H59 VanDerWaalsContact SG-ND1 3.45Å; C44-H62 WeakPolarHBondContact SG-CB 3.47Å; C44-L64 HydrophobicContact CB-CD2 3.81Å
45	E	79.6	Confident	70.1	Confident	69 Å²	69	51.7 Å²	51.7	32%	0.322	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40.2	-176.4	-69.2	-72.2	172.1	0	0	112.1	F43 L48 G63 R65	F43-E45 HydrophobicContact CD1-CG 4.38Å; F43-E45 HydrophobicContact CE1-CG 4.47Å; E45-L48 VanDerWaalsContact O-CD2 3.24Å; E45-L48 WeakPolarHBondContact O-CD2 3.21Å; E45-G63 WeakPolarHBondContact CB-O 3.13Å; E45-G63 VanDerWaalsContact CG-O 3.25Å; E45-G63 WeakPolarHBondContact CG-O 3.25Å; E45-G63 PolarHBondContact N-O 3.34Å; E45-R65 WeakPolarHBondContact OE1-CD 3.21Å; E45-R65 IonicContact OE1-CZ 3.2Å; E45-R65 IonicContact OE1-NE 3.4Å; E45-R65 PolarHBondContact OE1-NE 3.01Å; E45-R65 IonicContact OE1-NH1 2.69Å; E45-R65 PolarHBondContact OE1-NH1 2.91Å
46	R	78.3	Confident	71.7	Confident	150 Å²	150	49.6 Å²	49.6	57%	0.566	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-37.9	177.6	-159.4	-170.2	-173.4	169.4	4.8	113.8	C44 H62 M79	C44-R46 VanDerWaalsContact C-N 3.31Å; C44-R46 PolarHBondContact O-N 3.2Å; R46-H62 HydrophobicContact CB-CB 3.74Å; R46-H62 WeakPolarHBondContact CD-CD2 3.3Å; R46-H62 WeakPolarHBondContact CD-NE2 3.47Å; R46-H62 PolarHBondContact N-O 3.32Å; R46-H62 VanDerWaalsContact N-O 3.13Å; R46-H62 PolarHBondContact NH1-CD2 3.45Å; R46-H62 PolarHBondContact NH1-NE2 3.47Å; R46-M79 HydrophobicContact CB-CE 3.85Å; R46-M79 VanDerWaalsContact CD-CE 3.47Å; R46-M79 HydrophobicContact CG-CE 3.68Å
47	C	77.4	Confident	73.6	Confident	39 Å²	39	45.8 Å²	45.8	26%	0.264	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.9	-175.6	-61.5	0	0	0	0	112.8	C44 N49	C44-C47 HydrophobicContact CB-CB 4.04Å; C44-C47 PolarHBondContact O-N 3.05Å; C44-C47 VanDerWaalsContact SG-CB 3.56Å; C44-C47 PolarHBondContact SG-SG 2.94Å; C47-N49 HydrophobicContact CB-CB 4.47Å; C47-N49 PolarHBondContact O-N 3.47Å
48	L	76.5	Confident	75.3	Confident	40 Å²	40	48.5 Å²	48.5	21%	0.209	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.5	-172	-59.1	-180	0	0	0	113	F43 C44 E45 M84 L89 H96	F43-L48 HydrophobicContact CE1-CD2 4.26Å; F43-L48 HydrophobicContact CZ-CB 4.34Å; F43-L48 HydrophobicContact CZ-CD2 3.83Å; C44-L48 WeakPolarHBondContact O-CA 3.48Å; C44-L48 PolarHBondContact O-N 3.32Å; E45-L48 VanDerWaalsContact O-CD2 3.24Å; E45-L48 WeakPolarHBondContact O-CD2 3.21Å; L48-M84 HydrophobicContact CD1-CE 3.5Å; L48-M84 HydrophobicContact CD1-SD 3.51Å; L48-M84 VanDerWaalsContact CD1-SD 3.51Å; L48-M84 HydrophobicContact CG-SD 4.1Å; L48-L89 HydrophobicContact CD1-CD1 3.8Å; L48-H96 PolarHBondContact O-NE2 3.2Å
49	N	76.9	Confident	77	Confident	52 Å²	52	49.8 Å²	49.8	28%	0.278	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.3	-175.9	-159.4	16.1	0	0	0	112	C44 C47	C44-N49 PolarHBondContact N-O 3.48Å; C47-N49 HydrophobicContact CB-CB 4.47Å; C47-N49 PolarHBondContact O-N 3.47Å
50	L	76.2	Confident	78.1	Confident	44 Å²	44	50.7 Å²	50.7	23%	0.23	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.2	173.7	-66.7	168.6	0	0	0	110.1	A40 I42 F43 M99	A40-L50 HydrophobicContact CB-CB 3.8Å; I42-L50 CarbonylContact O-C 3.58Å; I42-L50 WeakPolarHBondContact O-CA 3.27Å; F43-L50 HydrophobicContact CB-CD2 4.26Å; F43-L50 HydrophobicContact CD2-CD2 4.25Å; L50-M99 HydrophobicContact CD1-CE 4.35Å
51	I	78.1	Confident	79.1	Confident	15 Å²	15	50 Å²	50	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.1	177.3	66.4	176.5	0	0	0	110.4	I42 C44 C55 A56 H59 L64	I42-I51 HydrophobicContact CB-CG1 3.9Å; I42-I51 HydrophobicContact CG2-CD1 4.32Å; I42-I51 HydrophobicContact CG2-CG1 3.99Å; I42-I51 PolarHBondContact N-O 3.32Å; I42-I51 PolarHBondContact O-N 2.95Å; C44-I51 HydrophobicContact CB-CD1 4.4Å; I51-C55 HydrophobicContact CB-CB 4.24Å; I51-A56 HydrophobicContact CD1-CB 4.42Å; I51-H59 HydrophobicContact CD1-CB 3.93Å; I51-L64 HydrophobicContact CD1-CD2 4.05Å
52	C	78.2	Confident	79.8	Confident	5 Å²	5	49 Å²	49	3%	0.034	23%	0.231	C	C	.	.			trans	-92.4	164.2	173.9	72.9	0	0	0	0	111.4	D38 R54 C55 A56	D38-C52 HydrophobicContact CB-CB 3.63Å; C52-R54 PolarHBondContact O-N 2.61Å; C52-R54 VanDerWaalsContact O-N 3.16Å; C52-C55 PolarHBondContact O-N 2.88Å; C52-C55 VanDerWaalsContact SG-SG 3.67Å; C52-A56 PolarHBondContact O-N 3.49Å
53	P	78.7	Confident	79.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.6	177.7	-29.7	38.6	0	0	0	114.3	I42 A56 P57 S297 F337	I42-P53 HydrophobicContact CD1-CB 4.36Å; I42-P53 HydrophobicContact CD1-CG 4.09Å; P53-A56 WeakPolarHBondContact O-CB 3.41Å; P53-A56 PolarHBondContact O-N 3.44Å; P53-P57 WeakPolarHBondContact O-CD 3.47Å; P53-S297 WeakPolarHBondContact CG-OG 3.33Å; P53-F337 HydrophobicContact CB-CD2 4.28Å; P53-F337 HydrophobicContact CB-CE2 4.37Å; P53-F337 HydrophobicContact CG-CB 4.4Å; P53-F337 HydrophobicContact CG-CD1 4.25Å; P53-F337 HydrophobicContact CG-CD2 3.69Å; P53-F337 HydrophobicContact CG-CE1 4.46Å; P53-F337 HydrophobicContact CG-CE2 3.96Å; P53-F337 HydrophobicContact CG-CG 3.86Å; P53-F337 HydrophobicContact CG-CZ 4.34Å
54	R	80.4	Confident	80	Confident	156 Å²	156	46.7 Å²	46.7	59%	0.589	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.3	177.8	-62.7	179.9	-179	-122.1	-2.5	113.6	D38 C52 P57	D38-R54 IonicContact OD2-NE 2.88Å; C52-R54 PolarHBondContact O-N 2.61Å; C52-R54 VanDerWaalsContact O-N 3.16Å; R54-P57 WeakPolarHBondContact O-CD 3.38Å
55	C	81.6	Confident	79.9	Confident	24 Å²	24	51.8 Å²	51.8	16%	0.162	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.8	176.7	-63.5	0	0	0	0	112.5	I51 C52 P57 D58 H59	I51-C55 HydrophobicContact CB-CB 4.24Å; C52-C55 PolarHBondContact O-N 2.88Å; C52-C55 VanDerWaalsContact SG-SG 3.67Å; C55-P57 VanDerWaalsContact C-CD 3.5Å; C55-D58 PolarHBondContact O-N 2.86Å; C55-H59 PolarHBondContact O-CD2 3.26Å; C55-H59 VanDerWaalsContact O-CD2 3.24Å
56	A	83	Confident	79.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-39.2	-177.2	0	0	0	0	0	114	I42 I51 C52 P53 D58 H59 L64 L299 L307	I42-A56 HydrophobicContact CD1-CB 4.12Å; I51-A56 HydrophobicContact CD1-CB 4.42Å; C52-A56 PolarHBondContact O-N 3.49Å; P53-A56 WeakPolarHBondContact O-CB 3.41Å; P53-A56 PolarHBondContact O-N 3.44Å; A56-D58 VanDerWaalsContact C-N 3.29Å; A56-D58 PolarHBondContact O-N 3.16Å; A56-H59 PolarHBondContact O-N 3.22Å; A56-L64 HydrophobicContact CB-CD1 3.92Å; A56-L299 HydrophobicContact CB-CD1 4.01Å; A56-L299 HydrophobicContact CB-CD2 4.01Å; A56-L307 HydrophobicContact CB-CD1 4.45Å
57	P	83.4	Confident	79.2	Confident	41 Å²	41	45.4 Å²	45.4	27%	0.266	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-57.5	-37.4	175.5	-27.3	36.8	0	0	0	114.1	P53 R54 C55 H59 R60 L307	P53-P57 WeakPolarHBondContact O-CD 3.47Å; R54-P57 WeakPolarHBondContact O-CD 3.38Å; C55-P57 VanDerWaalsContact C-CD 3.5Å; P57-H59 PolarHBondContact O-N 3.2Å; P57-R60 PolarHBondContact O-N 2.96Å; P57-L307 HydrophobicContact CG-CB 4.47Å
58	D	83.7	Confident	78.3	Confident	136 Å²	136	47.9 Å²	47.9	73%	0.727	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-72.4	-12.9	178.9	-63.4	-33	0	0	0	113.2	C55 A56	C55-D58 PolarHBondContact O-N 2.86Å; A56-D58 VanDerWaalsContact C-N 3.29Å; A56-D58 PolarHBondContact O-N 3.16Å
59	H	82.1	Confident	77.5	Confident	41 Å²	41	48.5 Å²	48.5	19%	0.19	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-108.1	25.7	179.5	-70.8	-116.9	0	0	0	112.2	C44 I51 C55 A56 P57 G61 H62 L64	C44-H59 PolarHBondContact SG-ND1 3.33Å; C44-H59 VanDerWaalsContact SG-ND1 3.45Å; I51-H59 HydrophobicContact CD1-CB 3.93Å; C55-H59 PolarHBondContact O-CD2 3.26Å; C55-H59 VanDerWaalsContact O-CD2 3.24Å; A56-H59 PolarHBondContact O-N 3.22Å; P57-H59 PolarHBondContact O-N 3.2Å; H59-G61 PolarHBondContact O-N 3.39Å; H59-H62 HydrophobicContact CB-CB 4.44Å; H59-H62 AromaticContact CG-ND1 3.8Å; H59-H62 AromaticContact ND1-ND1 3.5Å; H59-H62 VanDerWaalsContact O-CB 3.24Å; H59-H62 WeakPolarHBondContact O-CB 3.5Å; H59-H62 PolarHBondContact O-N 3.42Å; H59-L64 HydrophobicContact CB-CD1 4.4Å; H59-L64 HydrophobicContact CB-CD2 3.95Å
60	R	79.5	Confident	77.1	Confident	127 Å²	127	52.7 Å²	52.7	48%	0.479	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	139.3	174.9	-174.5	179.5	179	-171.5	-0.2	111.1	P57 H62	P57-R60 PolarHBondContact O-N 2.96Å; R60-H62 PolarHBondContact O-N 2.86Å
61	G	78	Confident	76.9	Confident	7 Å²	7	54.1 Å²	54.1	7%	0.072	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	-2.1	179	0	0	0	0	0	114.8	H59 G63 P75 E76 M79	H59-G61 PolarHBondContact O-N 3.39Å; G61-G63 VanDerWaalsContact C-N 3.31Å; G61-G63 PolarHBondContact O-N 2.94Å; G61-P75 WeakPolarHBondContact O-CA 3.41Å; G61-E76 PolarHBondContact O-N 3.48Å; G61-M79 VanDerWaalsContact O-CE 3.25Å; G61-M79 WeakPolarHBondContact O-CE 3.46Å
62	H	82.2	Confident	76.7	Confident	31 Å²	31	53.7 Å²	53.7	14%	0.144	29%	0.294	C	S	.	.	S	Bend	trans	-82	-1.6	-177.9	-67.4	177.2	0	0	0	115.6	C44 R46 H59 R60 L64	C44-H62 WeakPolarHBondContact SG-CB 3.47Å; R46-H62 HydrophobicContact CB-CB 3.74Å; R46-H62 WeakPolarHBondContact CD-CD2 3.3Å; R46-H62 WeakPolarHBondContact CD-NE2 3.47Å; R46-H62 PolarHBondContact N-O 3.32Å; R46-H62 VanDerWaalsContact N-O 3.13Å; R46-H62 PolarHBondContact NH1-CD2 3.45Å; R46-H62 PolarHBondContact NH1-NE2 3.47Å; H59-H62 HydrophobicContact CB-CB 4.44Å; H59-H62 AromaticContact CG-ND1 3.8Å; H59-H62 AromaticContact ND1-ND1 3.5Å; H59-H62 VanDerWaalsContact O-CB 3.24Å; H59-H62 WeakPolarHBondContact O-CB 3.5Å; H59-H62 PolarHBondContact O-N 3.42Å; R60-H62 PolarHBondContact O-N 2.86Å; H62-L64 HydrophobicContact CB-CD2 4.37Å
63	G	80.3	Confident	76.4	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.031	30%	0.295	C	S	.	.			trans	70.9	84.6	-171	0	0	0	0	0	110.9	E45 G61	E45-G63 WeakPolarHBondContact CB-O 3.13Å; E45-G63 VanDerWaalsContact CG-O 3.25Å; E45-G63 WeakPolarHBondContact CG-O 3.25Å; E45-G63 PolarHBondContact N-O 3.34Å; G61-G63 VanDerWaalsContact C-N 3.31Å; G61-G63 PolarHBondContact O-N 2.94Å
64	L	84.2	Confident	76	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.6	-177	-58.5	-173	0	0	0	110.5	I42 C44 I51 A56 H59 H62 L71 I72 A73 L307	I42-L64 HydrophobicContact CG2-CB 4.03Å; I42-L64 HydrophobicContact CG2-CD2 4.49Å; C44-L64 HydrophobicContact CB-CD2 3.81Å; I51-L64 HydrophobicContact CD1-CD2 4.05Å; A56-L64 HydrophobicContact CB-CD1 3.92Å; H59-L64 HydrophobicContact CB-CD1 4.4Å; H59-L64 HydrophobicContact CB-CD2 3.95Å; H62-L64 HydrophobicContact CB-CD2 4.37Å; L64-L71 WeakPolarHBondContact O-CD1 3.48Å; L64-I72 HydrophobicContact CB-CB 4.4Å; L64-I72 PolarHBondContact O-N 2.93Å; L64-A73 HydrophobicContact CB-CB 4.47Å; L64-A73 PolarHBondContact N-O 2.91Å; L64-A73 VanDerWaalsContact N-O 3.16Å; L64-A73 PolarHBondContact O-N 3.38Å; L64-L307 HydrophobicContact CD1-CD1 3.7Å
65	R	81	Confident	75.3	Confident	107 Å²	107	53.2 Å²	53.2	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.3	178.9	-65.2	-172.7	178.4	164.7	-10.5	111.3	I42 F43 E45 R70 L71	I42-R65 CarbonylContact C-O 3.39Å; I42-R65 WeakPolarHBondContact CA-O 3.46Å; F43-R65 PolarHBondContact N-O 3.28Å; F43-R65 PolarHBondContact O-N 3.43Å; E45-R65 WeakPolarHBondContact OE1-CD 3.21Å; E45-R65 IonicContact OE1-CZ 3.2Å; E45-R65 IonicContact OE1-NE 3.4Å; E45-R65 PolarHBondContact OE1-NE 3.01Å; E45-R65 IonicContact OE1-NH1 2.69Å; E45-R65 PolarHBondContact OE1-NH1 2.91Å; R65-R70 CarbonylContact C-O 3.45Å; R65-R70 WeakPolarHBondContact CA-O 3.24Å; R65-L71 HydrophobicContact CG-CD1 3.67Å
66	L	77.3	Confident	74.5	Confident	22 Å²	22	57.8 Å²	57.8	12%	0.115	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	138.9	161.8	-69.7	171.9	0	0	0	108.7	G68 G69 R70 I72 F337	L66-G68 PolarHBondContact O-N 2.86Å; L66-G69 PolarHBondContact O-N 3.28Å; L66-R70 HydrophobicContact CD1-CB 4.29Å; L66-R70 PolarHBondContact N-O 2.68Å; L66-I72 HydrophobicContact CD2-CD1 3.76Å; L66-I72 HydrophobicContact CD2-CG1 4.26Å; L66-I72 HydrophobicContact CG-CD1 3.86Å; L66-I72 HydrophobicContact CG-CG1 3.82Å; L66-F337 HydrophobicContact CD2-CE1 3.48Å; L66-F337 VanDerWaalsContact CD2-CE1 3.48Å; L66-F337 HydrophobicContact CD2-CZ 3.75Å
67	A	64.1	Low	73.2	Confident	62 Å²	62	65.4 Å²	65.4	51%	0.512	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	105.5	169.9	0	0	0	0	0	108.9	H41	H41-A67 HydrophobicContact CB-CB 4.18Å; H41-A67 VanDerWaalsContact O-CB 3.31Å; H41-A67 WeakPolarHBondContact O-CB 3.31Å; H41-A67 PolarHBondContact O-N 3.47Å
68	G	59.6	Low	71.9	Confident	91 Å²	91	66.4 Å²	66.4	94%	0.938	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.6	-3.5	-171.1	0	0	0	0	0	115.8	L66	L66-G68 PolarHBondContact O-N 2.86Å
69	G	59.2	Low	70.4	Confident	53 Å²	53	63.4 Å²	63.4	55%	0.546	38%	0.379	S	S	.	.	S	Bend	trans	116.8	-9.5	153.6	0	0	0	0	0	118	L66	L66-G69 PolarHBondContact O-N 3.28Å
70	R	69.5	Low	68.9	Low	140 Å²	140	67.8 Å²	67.8	53%	0.528	40%	0.404	S	S	.	.			trans	-75.6	129.2	173.3	-74.1	-172.2	-174.5	-177.4	3.8	110.6	R65 L66 D345 G346	R65-R70 CarbonylContact C-O 3.45Å; R65-R70 WeakPolarHBondContact CA-O 3.24Å; L66-R70 HydrophobicContact CD1-CB 4.29Å; L66-R70 PolarHBondContact N-O 2.68Å; R70-D345 PolarHBondContact NH1-O 3.11Å; R70-G346 PolarHBondContact NH1-O 3.3Å
71	L	70.4	Confident	67.6	Low	74 Å²	74	68.5 Å²	68.5	39%	0.387	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.2	175.1	-168.5	70.3	0	0	0	109.2	L64 R65 A73	L64-L71 WeakPolarHBondContact O-CD1 3.48Å; R65-L71 HydrophobicContact CG-CD1 3.67Å; L71-A73 WeakPolarHBondContact CD1-O 3.48Å
72	I	74.6	Confident	66.5	Low	7 Å²	7	73.8 Å²	73.8	4%	0.036	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-47.9	174.3	-55.1	174.7	0	0	0	109.2	I42 L64 L66 L299 Q301	I42-I72 HydrophobicContact CD1-CD1 4.04Å; I42-I72 HydrophobicContact CG1-CD1 3.93Å; I42-I72 HydrophobicContact CG2-CD1 3.9Å; L64-I72 HydrophobicContact CB-CB 4.4Å; L64-I72 PolarHBondContact O-N 2.93Å; L66-I72 HydrophobicContact CD2-CD1 3.76Å; L66-I72 HydrophobicContact CD2-CG1 4.26Å; L66-I72 HydrophobicContact CG-CD1 3.86Å; L66-I72 HydrophobicContact CG-CG1 3.82Å; I72-L299 HydrophobicContact CD1-CD2 4.4Å; I72-L299 HydrophobicContact CG2-CD2 3.89Å; I72-Q301 PolarHBondContact O-NE2 3.09Å; I72-Q301 PolarHBondContact O-OE1 2.82Å
73	A	71.3	Confident	65.6	Low	7 Å²	7	77.3 Å²	77.3	6%	0.058	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.5	-178.2	0	0	0	0	0	109.8	L64 L71 L307	L64-A73 HydrophobicContact CB-CB 4.47Å; L64-A73 PolarHBondContact N-O 2.91Å; L64-A73 VanDerWaalsContact N-O 3.16Å; L64-A73 PolarHBondContact O-N 3.38Å; L71-A73 WeakPolarHBondContact CD1-O 3.48Å; A73-L307 HydrophobicContact CB-CD1 4.23Å; A73-L307 HydrophobicContact CB-CD2 4.49Å
74	S	70	Confident	65	Low	83 Å²	83	79.8 Å²	79.8	58%	0.58	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-63.4	145	176.8	-58.5	0	0	0	0	111.4
75	P	67.3	Low	64.6	Low	62 Å²	62	83.5 Å²	83.5	40%	0.403	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.3	149.5	170.5	25.8	-31.3	0	0	0	110.4	G61 M79	G61-P75 WeakPolarHBondContact O-CA 3.41Å; P75-M79 HydrophobicContact CB-CG 4.39Å; P75-M79 HydrophobicContact CB-SD 3.71Å
76	E	63.9	Low	64.5	Low	120 Å²	120	83.4 Å²	83.4	56%	0.561	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-63.8	140.7	172.6	-76.8	174.4	-173.4	0	0	110.4	G61 G78 M79	G61-E76 PolarHBondContact O-N 3.48Å; E76-G78 PolarHBondContact O-N 3.35Å; E76-M79 PolarHBondContact O-N 3.34Å
77	V	56.4	Low	64.5	Low	159 Å²	159	86.7 Å²	86.7	96%	0.964	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	127.1	177.4	-178.2	0	0	0	0	108.7
78	G	55.3	Low	65	Low	63 Å²	63	90.7 Å²	90.7	65%	0.649	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.4	12.9	-176.1	0	0	0	0	0	114.6	E76 D80	E76-G78 PolarHBondContact O-N 3.35Å; G78-D80 PolarHBondContact O-N 2.99Å
79	M	52.6	Low	65.9	Low	72 Å²	72	90.9 Å²	90.9	36%	0.355	53%	0.534	S	S	.	.			trans	-62.5	77.5	152.3	-90.1	-161.5	165.6	0	0	109.1	R46 G61 P75 E76 T81	R46-M79 HydrophobicContact CB-CE 3.85Å; R46-M79 VanDerWaalsContact CD-CE 3.47Å; R46-M79 HydrophobicContact CG-CE 3.68Å; G61-M79 VanDerWaalsContact O-CE 3.25Å; G61-M79 WeakPolarHBondContact O-CE 3.46Å; P75-M79 HydrophobicContact CB-CG 4.39Å; P75-M79 HydrophobicContact CB-SD 3.71Å; E76-M79 PolarHBondContact O-N 3.34Å; M79-T81 PolarHBondContact O-N 3.46Å
80	D	50.2	Low	66.9	Low	134 Å²	134	92.5 Å²	92.5	72%	0.717	53%	0.529	S	S	*	.			trans	-50.4	128.5	161.5	-77.8	-28.2	0	0	0	106.2	G78 V82	G78-D80 PolarHBondContact O-N 2.99Å; D80-V82 HydrophobicContact CB-CG2 4.09Å; D80-V82 PolarHBondContact O-N 2.92Å
81	T	51.6	Low	67.3	Low	141 Å²	141	87.6 Å²	87.6	87%	0.865	52%	0.522	S	S	*	.			trans	-64.7	64.2	167	51.9	0	0	0	0	108	M79 S83	M79-T81 PolarHBondContact O-N 3.46Å; T81-S83 VanDerWaalsContact C-N 3.29Å; T81-S83 PolarHBondContact O-N 3.22Å
82	V	55.8	Low	67.7	Low	119 Å²	119	85.3 Å²	85.3	72%	0.721	51%	0.512	S	S	*	.			trans	-61.3	104.3	165.3	179.2	0	0	0	0	103.3	D80 M84	D80-V82 HydrophobicContact CB-CG2 4.09Å; D80-V82 PolarHBondContact O-N 2.92Å; V82-M84 PolarHBondContact O-N 3.31Å
83	S	62.2	Low	67.8	Low	104 Å²	104	87 Å²	87	73%	0.727	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-49	116.6	180	60.7	0	0	0	0	107.4	T81	T81-S83 VanDerWaalsContact C-N 3.29Å; T81-S83 PolarHBondContact O-N 3.22Å
84	M	68.5	Low	68.3	Low	56 Å²	56	94.7 Å²	94.7	28%	0.276	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.6	132.9	-179	-120.7	-171.7	57.6	0	0	108.3	L48 V82 T86 R88 L89	L48-M84 HydrophobicContact CD1-CE 3.5Å; L48-M84 HydrophobicContact CD1-SD 3.51Å; L48-M84 VanDerWaalsContact CD1-SD 3.51Å; L48-M84 HydrophobicContact CG-SD 4.1Å; V82-M84 PolarHBondContact O-N 3.31Å; M84-T86 PolarHBondContact O-N 3.18Å; M84-R88 HydrophobicContact CE-CB 3.82Å; M84-R88 HydrophobicContact CE-CG 3.54Å; M84-L89 HydrophobicContact CE-CB 4.18Å; M84-L89 HydrophobicContact CE-CD1 4.4Å
85	P	76.4	Confident	68.5	Low	77 Å²	77	92 Å²	92	50%	0.5	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-53.6	132.9	179.4	-26.1	33.1	0	0	0	110.5	S87 R88 L89	P85-S87 PolarHBondContact O-N 3.35Å; P85-R88 WeakPolarHBondContact O-CA 3.34Å; P85-R88 WeakPolarHBondContact O-CB 3.39Å; P85-R88 PolarHBondContact O-N 3.16Å; P85-L89 PolarHBondContact O-N 3.42Å; P85-L89 VanDerWaalsContact O-N 3.11Å
86	T	78.3	Confident	68.9	Low	105 Å²	105	91.8 Å²	91.8	64%	0.644	53%	0.534	S	S	*	.	H	α-helix	trans	-52	-35.3	-177.5	-46.1	0	0	0	0	112	M84 L89 I90	M84-T86 PolarHBondContact O-N 3.18Å; T86-L89 PolarHBondContact O-N 3.39Å; T86-I90 HydrophobicContact CG2-CD1 4.05Å; T86-I90 WeakPolarHBondContact O-CB 3.49Å; T86-I90 VanDerWaalsContact O-CG1 3.26Å; T86-I90 WeakPolarHBondContact O-CG1 3.4Å; T86-I90 PolarHBondContact O-N 3.27Å
87	S	76.9	Confident	69.7	Low	92 Å²	92	91.4 Å²	91.4	64%	0.643	54%	0.536	S	S	*	.	H	α-helix	trans	-62.1	-41.1	175.5	56.7	0	0	0	0	113.4	P85 G91	P85-S87 PolarHBondContact O-N 3.35Å; S87-G91 PolarHBondContact O-N 2.74Å
88	R	76	Confident	70.8	Confident	146 Å²	146	91.2 Å²	91.2	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-69.5	-40.9	176.8	-170.6	-177.7	178.2	144.8	-0	110.6	M84 P85 G91 C92	M84-R88 HydrophobicContact CE-CB 3.82Å; M84-R88 HydrophobicContact CE-CG 3.54Å; P85-R88 WeakPolarHBondContact O-CA 3.34Å; P85-R88 WeakPolarHBondContact O-CB 3.39Å; P85-R88 PolarHBondContact O-N 3.16Å; R88-G91 WeakPolarHBondContact O-CA 3.27Å; R88-G91 PolarHBondContact O-N 3.06Å; R88-C92 PolarHBondContact O-N 2.73Å; R88-C92 PolarHBondContact O-SG 2.91Å
89	L	77.6	Confident	71.6	Confident	94 Å²	94	91.9 Å²	91.9	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-44.3	175.8	-172.7	66.4	0	0	0	111.9	L48 M84 P85 T86 G91 C92 G93	L48-L89 HydrophobicContact CD1-CD1 3.8Å; M84-L89 HydrophobicContact CE-CB 4.18Å; M84-L89 HydrophobicContact CE-CD1 4.4Å; P85-L89 PolarHBondContact O-N 3.42Å; P85-L89 VanDerWaalsContact O-N 3.11Å; T86-L89 PolarHBondContact O-N 3.39Å; L89-G91 VanDerWaalsContact C-N 3.3Å; L89-G91 PolarHBondContact O-N 3.05Å; L89-C92 WeakPolarHBondContact O-CB 3.36Å; L89-C92 PolarHBondContact O-N 2.88Å; L89-G93 PolarHBondContact O-N 3.34Å
90	I	79.7	Confident	72.6	Confident	88 Å²	88	92 Å²	92	45%	0.451	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-41.9	172.7	-69.5	167	0	0	0	110.6	T86 G93 R94	T86-I90 HydrophobicContact CG2-CD1 4.05Å; T86-I90 WeakPolarHBondContact O-CB 3.49Å; T86-I90 VanDerWaalsContact O-CG1 3.26Å; T86-I90 WeakPolarHBondContact O-CG1 3.4Å; T86-I90 PolarHBondContact O-N 3.27Å; I90-G93 PolarHBondContact O-N 3.23Å; I90-R94 HydrophobicContact CG2-CG 4.42Å; I90-R94 WeakPolarHBondContact O-CB 3.28Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 3.32Å
91	G	79	Confident	74	Confident	36 Å²	36	89.1 Å²	89.1	37%	0.371	50%	0.497	S	S	.	.	H	α-helix	trans	-58.2	-47.8	175	0	0	0	0	0	112.6	S87 R88 L89 R94 A95	S87-G91 PolarHBondContact O-N 2.74Å; R88-G91 WeakPolarHBondContact O-CA 3.27Å; R88-G91 PolarHBondContact O-N 3.06Å; L89-G91 VanDerWaalsContact C-N 3.3Å; L89-G91 PolarHBondContact O-N 3.05Å; G91-R94 PolarHBondContact O-N 3.03Å; G91-A95 WeakPolarHBondContact O-CB 3.27Å; G91-A95 PolarHBondContact O-N 3.23Å
92	C	77.6	Confident	75.1	Confident	27 Å²	27	84.1 Å²	84.1	18%	0.182	47%	0.474	C	S	.	.	H	α-helix	trans	-59.1	-49.4	173	-68.1	0	0	0	0	111	R88 L89 R94 A95 H96	R88-C92 PolarHBondContact O-N 2.73Å; R88-C92 PolarHBondContact O-SG 2.91Å; L89-C92 WeakPolarHBondContact O-CB 3.36Å; L89-C92 PolarHBondContact O-N 2.88Å; C92-R94 PolarHBondContact O-N 3.43Å; C92-A95 WeakPolarHBondContact O-CB 3.23Å; C92-A95 PolarHBondContact O-N 3.02Å; C92-H96 PolarHBondContact O-CD2 3.44Å; C92-H96 VanDerWaalsContact O-CD2 3.27Å; C92-H96 PolarHBondContact O-N 3.03Å
93	G	77.4	Confident	76	Confident	42 Å²	42	81.7 Å²	81.7	43%	0.433	46%	0.461	S	S	.	.	H	α-helix	trans	-58.6	-43.4	178.7	0	0	0	0	0	113.4	L89 I90 A95 H96 L97	L89-G93 PolarHBondContact O-N 3.34Å; I90-G93 PolarHBondContact O-N 3.23Å; G93-A95 VanDerWaalsContact C-N 3.31Å; G93-A95 PolarHBondContact O-N 3Å; G93-H96 PolarHBondContact O-N 3.36Å; G93-L97 WeakPolarHBondContact O-CB 3.02Å; G93-L97 PolarHBondContact O-N 3.45Å
94	R	82.5	Confident	76.7	Confident	169 Å²	169	81 Å²	81	64%	0.638	45%	0.448	S	S	*	.	H	α-helix	trans	-66.8	-30.2	174.6	-73.9	-179.7	175.4	-179.2	-0.9	113.1	I90 G91 C92 R98	I90-R94 HydrophobicContact CG2-CG 4.42Å; I90-R94 WeakPolarHBondContact O-CB 3.28Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 3.32Å; G91-R94 PolarHBondContact O-N 3.03Å; C92-R94 PolarHBondContact O-N 3.43Å; R94-R98 WeakPolarHBondContact O-CG 3.49Å; R94-R98 PolarHBondContact O-N 3.3Å; R94-R98 PolarHBondContact O-NE 3.16Å; R94-R98 VanDerWaalsContact O-NE 3.13Å
95	A	73.9	Confident	77.1	Confident	27 Å²	27	83 Å²	83	22%	0.223	46%	0.46	C	S	.	.	H	α-helix	trans	-71.3	-46	173.9	0	0	0	0	0	110.8	G91 C92 G93 R98 M99	G91-A95 WeakPolarHBondContact O-CB 3.27Å; G91-A95 PolarHBondContact O-N 3.23Å; C92-A95 WeakPolarHBondContact O-CB 3.23Å; C92-A95 PolarHBondContact O-N 3.02Å; G93-A95 VanDerWaalsContact C-N 3.31Å; G93-A95 PolarHBondContact O-N 3Å; A95-R98 PolarHBondContact O-N 3.1Å; A95-M99 WeakPolarHBondContact O-CB 3.31Å; A95-M99 PolarHBondContact O-N 2.99Å
96	H	75	Confident	77	Confident	56 Å²	56	82.1 Å²	82.1	26%	0.259	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-43.7	174.8	-84	-89.2	0	0	0	112.1	L48 C92 G93 R98 M99 T100	L48-H96 PolarHBondContact O-NE2 3.2Å; C92-H96 PolarHBondContact O-CD2 3.44Å; C92-H96 VanDerWaalsContact O-CD2 3.27Å; C92-H96 PolarHBondContact O-N 3.03Å; G93-H96 PolarHBondContact O-N 3.36Å; H96-R98 VanDerWaalsContact C-N 3.35Å; H96-R98 PolarHBondContact O-N 2.91Å; H96-M99 WeakPolarHBondContact ND1-CE 3.34Å; H96-M99 WeakPolarHBondContact O-CB 3.38Å; H96-M99 PolarHBondContact O-N 3.38Å; H96-T100 PolarHBondContact O-N 3.07Å; H96-T100 PolarHBondContact O-OG1 3.28Å
97	L	81.1	Confident	76.8	Confident	113 Å²	113	81.2 Å²	81.2	59%	0.592	45%	0.454	S	S	*	.	H	α-helix	trans	-58	-46	175.5	179.4	62.6	0	0	0	112.1	G93 M99 T100 V101	G93-L97 WeakPolarHBondContact O-CB 3.02Å; G93-L97 PolarHBondContact O-N 3.45Å; L97-M99 VanDerWaalsContact C-N 3.35Å; L97-T100 PolarHBondContact O-N 2.96Å; L97-V101 WeakPolarHBondContact O-CG2 3.33Å; L97-V101 PolarHBondContact O-N 2.98Å
98	R	79.1	Confident	76.9	Confident	155 Å²	155	82.3 Å²	82.3	59%	0.585	45%	0.448	S	S	*	.	H	α-helix	trans	-62.9	-41.7	176.5	-79.4	-178	-78	168.7	-5.4	112.1	R94 A95 H96 G102	R94-R98 WeakPolarHBondContact O-CG 3.49Å; R94-R98 PolarHBondContact O-N 3.3Å; R94-R98 PolarHBondContact O-NE 3.16Å; R94-R98 VanDerWaalsContact O-NE 3.13Å; A95-R98 PolarHBondContact O-N 3.1Å; H96-R98 VanDerWaalsContact C-N 3.35Å; H96-R98 PolarHBondContact O-N 2.91Å; R98-G102 PolarHBondContact O-N 3.45Å
99	M	72.6	Confident	77	Confident	77 Å²	77	78.3 Å²	78.3	38%	0.379	44%	0.442	S	S	.	.	H	α-helix	trans	-60.9	-46.9	175	-174.6	178.7	69.2	0	0	110.8	L50 A95 H96 L97 V101 G102 C103	L50-M99 HydrophobicContact CD1-CE 4.35Å; A95-M99 WeakPolarHBondContact O-CB 3.31Å; A95-M99 PolarHBondContact O-N 2.99Å; H96-M99 WeakPolarHBondContact ND1-CE 3.34Å; H96-M99 WeakPolarHBondContact O-CB 3.38Å; H96-M99 PolarHBondContact O-N 3.38Å; L97-M99 VanDerWaalsContact C-N 3.35Å; M99-V101 PolarHBondContact O-N 3.02Å; M99-G102 CarbonylContact O-C 3.54Å; M99-G102 PolarHBondContact O-N 3.21Å; M99-C103 PolarHBondContact O-N 2.87Å; M99-C103 PolarHBondContact O-SG 2.81Å
100	T	73.7	Confident	77	Confident	73 Å²	73	78.7 Å²	78.7	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-44.4	178.9	-58.3	0	0	0	0	112.4	H96 L97 C103 I104	H96-T100 PolarHBondContact O-N 3.07Å; H96-T100 PolarHBondContact O-OG1 3.28Å; L97-T100 PolarHBondContact O-N 2.96Å; T100-C103 WeakPolarHBondContact O-CB 3.43Å; T100-C103 PolarHBondContact O-N 3.31Å; T100-I104 HydrophobicContact CG2-CD1 4.42Å; T100-I104 WeakPolarHBondContact O-CG1 3.25Å; T100-I104 PolarHBondContact O-N 3.44Å
101	V	79.9	Confident	77	Confident	74 Å²	74	77.8 Å²	77.8	45%	0.448	44%	0.443	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.2	172.7	0	0	0	0	110.6	L97 M99 C103 I104 D105	L97-V101 WeakPolarHBondContact O-CG2 3.33Å; L97-V101 PolarHBondContact O-N 2.98Å; M99-V101 PolarHBondContact O-N 3.02Å; V101-C103 VanDerWaalsContact C-N 3.27Å; V101-C103 PolarHBondContact O-N 3.3Å; V101-I104 WeakPolarHBondContact O-CB 3.28Å; V101-I104 PolarHBondContact O-N 2.89Å; V101-I104 VanDerWaalsContact O-N 3.08Å; V101-D105 PolarHBondContact O-N 2.66Å; V101-D105 VanDerWaalsContact O-N 3.08Å
102	G	73.9	Confident	77.3	Confident	37 Å²	37	80.3 Å²	80.3	38%	0.381	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-33.7	175	0	0	0	0	0	113.4	R98 M99 A106	R98-G102 PolarHBondContact O-N 3.45Å; M99-G102 CarbonylContact O-C 3.54Å; M99-G102 PolarHBondContact O-N 3.21Å; G102-A106 VanDerWaalsContact O-CB 3.32Å; G102-A106 WeakPolarHBondContact O-CB 3.41Å; G102-A106 PolarHBondContact O-N 3.22Å
103	C	74.9	Confident	77.3	Confident	68 Å²	68	83.7 Å²	83.7	46%	0.459	46%	0.461	S	S	.	.	H	α-helix	trans	-66.6	-38.9	173	-70.4	0	0	0	0	112.1	M99 T100 V101 A106 V107	M99-C103 PolarHBondContact O-N 2.87Å; M99-C103 PolarHBondContact O-SG 2.81Å; T100-C103 WeakPolarHBondContact O-CB 3.43Å; T100-C103 PolarHBondContact O-N 3.31Å; V101-C103 VanDerWaalsContact C-N 3.27Å; V101-C103 PolarHBondContact O-N 3.3Å; C103-A106 PolarHBondContact O-N 3.47Å; C103-V107 VanDerWaalsContact O-CG2 3.27Å; C103-V107 WeakPolarHBondContact O-CG2 3.35Å; C103-V107 PolarHBondContact O-N 3.13Å
104	I	77.1	Confident	77.4	Confident	88 Å²	88	85.3 Å²	85.3	45%	0.451	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-46.3	175.8	-68.2	165.9	0	0	0	110.2	T100 V101 A106 V107 H108	T100-I104 HydrophobicContact CG2-CD1 4.42Å; T100-I104 WeakPolarHBondContact O-CG1 3.25Å; T100-I104 PolarHBondContact O-N 3.44Å; V101-I104 WeakPolarHBondContact O-CB 3.28Å; V101-I104 PolarHBondContact O-N 2.89Å; V101-I104 VanDerWaalsContact O-N 3.08Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.02Å; I104-V107 WeakPolarHBondContact O-CB 3.41Å; I104-V107 PolarHBondContact O-N 2.95Å; I104-H108 PolarHBondContact O-N 3.48Å
105	D	76.8	Confident	77.7	Confident	100 Å²	100	83.7 Å²	83.7	54%	0.535	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.9	-66.4	-26.6	0	0	0	111.8	V101 V107 H108 C109	V101-D105 PolarHBondContact O-N 2.66Å; V101-D105 VanDerWaalsContact O-N 3.08Å; D105-V107 VanDerWaalsContact C-N 3.32Å; D105-V107 PolarHBondContact O-N 3.38Å; D105-H108 PolarHBondContact O-N 3.12Å; D105-C109 WeakPolarHBondContact O-CB 3.46Å; D105-C109 PolarHBondContact O-N 2.93Å
106	A	73.3	Confident	78.3	Confident	58 Å²	58	89.1 Å²	89.1	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-36.3	175.2	0	0	0	0	0	112.4	G102 C103 I104 M110	G102-A106 VanDerWaalsContact O-CB 3.32Å; G102-A106 WeakPolarHBondContact O-CB 3.41Å; G102-A106 PolarHBondContact O-N 3.22Å; C103-A106 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3.02Å; A106-M110 WeakPolarHBondContact O-CB 3.26Å; A106-M110 PolarHBondContact O-N 3.02Å
107	V	74.2	Confident	78.8	Confident	86 Å²	86	94.1 Å²	94.1	52%	0.521	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-49.4	174.3	166.7	0	0	0	0	110.6	C103 I104 D105 C109 M110 C111	C103-V107 VanDerWaalsContact O-CG2 3.27Å; C103-V107 WeakPolarHBondContact O-CG2 3.35Å; C103-V107 PolarHBondContact O-N 3.13Å; I104-V107 WeakPolarHBondContact O-CB 3.41Å; I104-V107 PolarHBondContact O-N 2.95Å; D105-V107 VanDerWaalsContact C-N 3.32Å; D105-V107 PolarHBondContact O-N 3.38Å; V107-C109 VanDerWaalsContact C-N 3.34Å; V107-C109 PolarHBondContact O-N 3.38Å; V107-M110 PolarHBondContact O-N 2.9Å; V107-M110 VanDerWaalsContact O-N 3.16Å; V107-C111 PolarHBondContact O-N 3.34Å; V107-C111 PolarHBondContact O-SG 2.94Å; V107-C111 VanDerWaalsContact O-SG 3.33Å
108	H	80.3	Confident	79.1	Confident	115 Å²	115	92.3 Å²	92.3	53%	0.532	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-44.6	176.8	-66.4	146.8	0	0	0	111.9	I104 D105 M110 C111 D112	I104-H108 PolarHBondContact O-N 3.48Å; D105-H108 PolarHBondContact O-N 3.12Å; H108-M110 VanDerWaalsContact C-N 3.29Å; H108-M110 PolarHBondContact O-N 3.48Å; H108-C111 WeakPolarHBondContact O-CB 3.27Å; H108-C111 PolarHBondContact O-N 2.98Å; H108-D112 PolarHBondContact O-N 2.98Å
109	C	76.8	Confident	79.6	Confident	62 Å²	62	88.1 Å²	88.1	42%	0.419	48%	0.482	S	S	.	.	H	α-helix	trans	-60.1	-40	176.3	-170.4	0	0	0	0	112.1	D105 V107 D112 Q113	D105-C109 WeakPolarHBondContact O-CB 3.46Å; D105-C109 PolarHBondContact O-N 2.93Å; V107-C109 VanDerWaalsContact C-N 3.34Å; V107-C109 PolarHBondContact O-N 3.38Å; C109-D112 PolarHBondContact O-N 3.38Å; C109-Q113 VanDerWaalsContact O-CG 3.3Å; C109-Q113 WeakPolarHBondContact O-CG 3.43Å; C109-Q113 PolarHBondContact O-N 3.36Å; C109-Q113 PolarHBondContact SG-NE2 3.1Å; C109-Q113 VanDerWaalsContact SG-NE2 3.42Å
110	M	78.2	Confident	80.4	Confident	102 Å²	102	87.3 Å²	87.3	50%	0.502	48%	0.482	S	S	.	.	H	α-helix	trans	-67.6	-38.2	177.6	-171.9	57.2	58.6	0	0	111.8	A106 V107 H108 D112 Q113 V114	A106-M110 WeakPolarHBondContact O-CB 3.26Å; A106-M110 PolarHBondContact O-N 3.02Å; V107-M110 PolarHBondContact O-N 2.9Å; V107-M110 VanDerWaalsContact O-N 3.16Å; H108-M110 VanDerWaalsContact C-N 3.29Å; H108-M110 PolarHBondContact O-N 3.48Å; M110-D112 PolarHBondContact O-N 3.04Å; M110-Q113 PolarHBondContact O-N 3.43Å; M110-Q113 HydrophobicContact SD-CB 4.47Å; M110-V114 HydrophobicContact CG-CG2 4.38Å; M110-V114 VanDerWaalsContact O-CG2 3.29Å; M110-V114 WeakPolarHBondContact O-CG2 3.5Å; M110-V114 PolarHBondContact O-N 3.48Å; M110-V114 HydrophobicContact SD-CG2 4.35Å
111	C	79.4	Confident	81	Confident	68 Å²	68	86.2 Å²	86.2	46%	0.459	47%	0.473	S	S	.	.	H	α-helix	trans	-55.9	-50.6	173.2	-67.4	0	0	0	0	111.2	V107 H108 Q113 V114 E115	V107-C111 PolarHBondContact O-N 3.34Å; V107-C111 PolarHBondContact O-SG 2.94Å; V107-C111 VanDerWaalsContact O-SG 3.33Å; H108-C111 WeakPolarHBondContact O-CB 3.27Å; H108-C111 PolarHBondContact O-N 2.98Å; C111-Q113 VanDerWaalsContact C-N 3.3Å; C111-Q113 PolarHBondContact O-N 3.15Å; C111-V114 PolarHBondContact O-N 2.93Å; C111-E115 PolarHBondContact O-N 3.3Å; C111-E115 VanDerWaalsContact O-N 3.08Å
112	D	84.5	Confident	81.5	Confident	89 Å²	89	86.8 Å²	86.8	48%	0.476	47%	0.472	S	S	.	.	H	α-helix	trans	-60.6	-38.7	177.6	-68.4	-13.3	0	0	0	112.3	H108 C109 M110 K116	H108-D112 PolarHBondContact O-N 2.98Å; C109-D112 PolarHBondContact O-N 3.38Å; M110-D112 PolarHBondContact O-N 3.04Å; D112-K116 VanDerWaalsContact O-CG 3.3Å; D112-K116 WeakPolarHBondContact O-CG 3.26Å; D112-K116 PolarHBondContact O-N 3.27Å; D112-K116 VanDerWaalsContact O-N 3.14Å
113	Q	78.8	Confident	82.3	Confident	99 Å²	99	93.1 Å²	93.1	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-67.6	-39.9	177.9	-74.4	178.6	20.6	0	0	112.2	C109 M110 C111 K116 R117	C109-Q113 VanDerWaalsContact O-CG 3.3Å; C109-Q113 WeakPolarHBondContact O-CG 3.43Å; C109-Q113 PolarHBondContact O-N 3.36Å; C109-Q113 PolarHBondContact SG-NE2 3.1Å; C109-Q113 VanDerWaalsContact SG-NE2 3.42Å; M110-Q113 PolarHBondContact O-N 3.43Å; M110-Q113 HydrophobicContact SD-CB 4.47Å; C111-Q113 VanDerWaalsContact C-N 3.3Å; C111-Q113 PolarHBondContact O-N 3.15Å; Q113-K116 PolarHBondContact O-N 2.99Å; Q113-R117 VanDerWaalsContact O-CB 3.31Å; Q113-R117 WeakPolarHBondContact O-CB 3.18Å; Q113-R117 PolarHBondContact O-N 2.92Å
114	V	79.5	Confident	82.9	Confident	76 Å²	76	95.1 Å²	95.1	46%	0.461	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-46.7	176.7	170.1	0	0	0	0	110.2	M110 C111 K116 R117 V118	M110-V114 HydrophobicContact CG-CG2 4.38Å; M110-V114 VanDerWaalsContact O-CG2 3.29Å; M110-V114 WeakPolarHBondContact O-CG2 3.5Å; M110-V114 PolarHBondContact O-N 3.48Å; M110-V114 HydrophobicContact SD-CG2 4.35Å; C111-V114 PolarHBondContact O-N 2.93Å; V114-K116 PolarHBondContact O-N 2.76Å; V114-R117 PolarHBondContact O-N 2.79Å; V114-R117 VanDerWaalsContact O-N 3.16Å; V114-V118 HydrophobicContact CG1-CG2 4.35Å; V114-V118 WeakPolarHBondContact O-CG2 3.37Å; V114-V118 PolarHBondContact O-N 3.42Å
115	E	89.2	Confident	83.4	Confident	134 Å²	134	95 Å²	95	63%	0.626	49%	0.487	S	S	*	.	H	α-helix	trans	-60.4	-44.3	177.6	-71.2	-169.8	171.1	0	0	112.8	C111 R117 V118 T119	C111-E115 PolarHBondContact O-N 3.3Å; C111-E115 VanDerWaalsContact O-N 3.08Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 3.12Å; E115-V118 PolarHBondContact O-N 3.25Å; E115-T119 PolarHBondContact O-N 3.09Å; E115-T119 VanDerWaalsContact O-N 3.07Å; E115-T119 PolarHBondContact O-OG1 3.43Å
116	K	86.8	Confident	84.1	Confident	142 Å²	142	95.6 Å²	95.6	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-61.6	-41	174.9	-73.5	171.5	-176	169.6	0	111.8	D112 Q113 V114 T120	D112-K116 VanDerWaalsContact O-CG 3.3Å; D112-K116 WeakPolarHBondContact O-CG 3.26Å; D112-K116 PolarHBondContact O-N 3.27Å; D112-K116 VanDerWaalsContact O-N 3.14Å; Q113-K116 PolarHBondContact O-N 2.99Å; V114-K116 PolarHBondContact O-N 2.76Å; K116-T120 PolarHBondContact O-N 3.3Å; K116-T120 VanDerWaalsContact O-N 3.14Å; K116-T120 PolarHBondContact O-OG1 2.77Å
117	R	85	Confident	84.8	Confident	161 Å²	161	96.2 Å²	96.2	61%	0.608	49%	0.487	S	S	*	.	H	α-helix	trans	-66.8	-45.3	179	-178	61.3	68	158.9	6.5	111.4	Q113 V114 E115 T119 T120 I121	Q113-R117 VanDerWaalsContact O-CB 3.31Å; Q113-R117 WeakPolarHBondContact O-CB 3.18Å; Q113-R117 PolarHBondContact O-N 2.92Å; V114-R117 PolarHBondContact O-N 2.79Å; V114-R117 VanDerWaalsContact O-N 3.16Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 3.12Å; R117-T119 VanDerWaalsContact C-N 3.32Å; R117-T119 PolarHBondContact O-N 3.49Å; R117-T120 WeakPolarHBondContact O-CB 3.48Å; R117-T120 PolarHBondContact O-N 3.5Å; R117-T120 VanDerWaalsContact O-N 3.12Å; R117-I121 HydrophobicContact CG-CD1 3.79Å; R117-I121 HydrophobicContact CG-CG1 4.39Å; R117-I121 WeakPolarHBondContact O-CG1 3.47Å; R117-I121 PolarHBondContact O-N 2.95Å
118	V	86.3	Confident	85.4	Confident	75 Å²	75	96.4 Å²	96.4	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-57	-46.8	176.4	169	0	0	0	0	110.7	V114 E115 T120 I121 I122	V114-V118 HydrophobicContact CG1-CG2 4.35Å; V114-V118 WeakPolarHBondContact O-CG2 3.37Å; V114-V118 PolarHBondContact O-N 3.42Å; E115-V118 PolarHBondContact O-N 3.25Å; V118-T120 VanDerWaalsContact C-N 3.26Å; V118-T120 PolarHBondContact O-N 3.41Å; V118-I121 PolarHBondContact O-N 3.36Å; V118-I122 HydrophobicContact CG1-CD1 3.92Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.78Å
119	T	90.8	Very high	85.7	Confident	67 Å²	67	93.1 Å²	93.1	41%	0.411	48%	0.478	S	S	.	.	H	α-helix	trans	-59.4	-38.1	177.7	-56.4	0	0	0	0	112.2	E115 R117	E115-T119 PolarHBondContact O-N 3.09Å; E115-T119 VanDerWaalsContact O-N 3.07Å; E115-T119 PolarHBondContact O-OG1 3.43Å; R117-T119 VanDerWaalsContact C-N 3.32Å; R117-T119 PolarHBondContact O-N 3.49Å
120	T	88.3	Confident	86.3	Confident	59 Å²	59	96.4 Å²	96.4	36%	0.362	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-47.4	177.9	-55.3	0	0	0	0	111.3	K116 R117 V118 I122 R123 E124	K116-T120 PolarHBondContact O-N 3.3Å; K116-T120 VanDerWaalsContact O-N 3.14Å; K116-T120 PolarHBondContact O-OG1 2.77Å; R117-T120 WeakPolarHBondContact O-CB 3.48Å; R117-T120 PolarHBondContact O-N 3.5Å; R117-T120 VanDerWaalsContact O-N 3.12Å; V118-T120 VanDerWaalsContact C-N 3.26Å; V118-T120 PolarHBondContact O-N 3.41Å; T120-I122 VanDerWaalsContact C-N 3.32Å; T120-I122 PolarHBondContact O-N 3.49Å; T120-R123 WeakPolarHBondContact O-CB 3.49Å; T120-R123 PolarHBondContact O-N 3.08Å; T120-R123 VanDerWaalsContact O-N 3.11Å; T120-E124 PolarHBondContact O-N 2.86Å
121	I	86.4	Confident	86.7	Confident	51 Å²	51	95.1 Å²	95.1	26%	0.262	49%	0.488	S	S	.	.	H	α-helix	trans	-60.4	-40.8	-179.7	-69.6	169.2	0	0	0	111.4	R117 V118 R123 E124 I125 L244	R117-I121 HydrophobicContact CG-CD1 3.79Å; R117-I121 HydrophobicContact CG-CG1 4.39Å; R117-I121 WeakPolarHBondContact O-CG1 3.47Å; R117-I121 PolarHBondContact O-N 2.95Å; V118-I121 PolarHBondContact O-N 3.36Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.99Å; I121-E124 PolarHBondContact O-N 3.31Å; I121-I125 HydrophobicContact CG2-CD1 3.94Å; I121-I125 HydrophobicContact CG2-CG1 4.39Å; I121-I125 WeakPolarHBondContact O-CG1 3.26Å; I121-I125 PolarHBondContact O-N 3.37Å; I121-L244 HydrophobicContact CG2-CD2 3.57Å
122	I	90.8	Very high	87.1	Confident	86 Å²	86	95.7 Å²	95.7	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-57.1	-43	176.9	-71.8	168.3	0	0	0	111.1	V118 T120 I125 H126	V118-I122 HydrophobicContact CG1-CD1 3.92Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.78Å; T120-I122 VanDerWaalsContact C-N 3.32Å; T120-I122 PolarHBondContact O-N 3.49Å; I122-I125 PolarHBondContact O-N 3.35Å; I122-H126 PolarHBondContact O-CD2 2.83Å; I122-H126 PolarHBondContact O-N 3.22Å
123	R	90.8	Very high	87.3	Confident	170 Å²	170	96 Å²	96	64%	0.642	49%	0.487	S	S	*	.	H	α-helix	trans	-65.6	-39.4	178.4	-64.9	175.1	-171.3	162.6	2.5	112.2	T120 I121 H126 S127	T120-R123 WeakPolarHBondContact O-CB 3.49Å; T120-R123 PolarHBondContact O-N 3.08Å; T120-R123 VanDerWaalsContact O-N 3.11Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.99Å; R123-H126 PolarHBondContact O-N 2.81Å; R123-S127 PolarHBondContact O-N 3.03Å
124	E	88.6	Confident	87.9	Confident	109 Å²	109	93.9 Å²	93.9	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-44.5	177.4	-68.6	173.2	-176.9	0	0	111.7	T120 I121 H126 S127 V128	T120-E124 PolarHBondContact O-N 2.86Å; I121-E124 PolarHBondContact O-N 3.31Å; E124-H126 VanDerWaalsContact C-N 3.34Å; E124-H126 PolarHBondContact O-N 2.82Å; E124-S127 PolarHBondContact O-N 3.23Å; E124-V128 WeakPolarHBondContact O-CG2 3.41Å; E124-V128 PolarHBondContact O-N 2.85Å
125	I	87.1	Confident	88.3	Confident	86 Å²	86	92.9 Å²	92.9	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-58.5	-46.6	176.4	-67.7	169.5	0	0	0	110.9	I121 I122 S127 S129 L244	I121-I125 HydrophobicContact CG2-CD1 3.94Å; I121-I125 HydrophobicContact CG2-CG1 4.39Å; I121-I125 WeakPolarHBondContact O-CG1 3.26Å; I121-I125 PolarHBondContact O-N 3.37Å; I122-I125 PolarHBondContact O-N 3.35Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 3.07Å; I125-S129 WeakPolarHBondContact O-CB 3.3Å; I125-S129 PolarHBondContact O-N 2.88Å; I125-S129 PolarHBondContact O-OG 2.77Å; I125-L244 HydrophobicContact CD1-CD2 4.05Å
126	H	90.2	Very high	88.1	Confident	113 Å²	113	91.1 Å²	91.1	52%	0.523	48%	0.481	S	S	.	.	H	α-helix	trans	-60.9	-42.6	177.5	-78.7	-61.1	0	0	0	112.3	I122 R123 E124 S129 Q130	I122-H126 PolarHBondContact O-CD2 2.83Å; I122-H126 PolarHBondContact O-N 3.22Å; R123-H126 PolarHBondContact O-N 2.81Å; E124-H126 VanDerWaalsContact C-N 3.34Å; E124-H126 PolarHBondContact O-N 2.82Å; H126-S129 WeakPolarHBondContact CA-OG 3.36Å; H126-S129 PolarHBondContact O-OG 3.07Å; H126-Q130 WeakPolarHBondContact O-CB 3.32Å; H126-Q130 VanDerWaalsContact O-CG 3.28Å; H126-Q130 WeakPolarHBondContact O-CG 3.3Å; H126-Q130 PolarHBondContact O-N 3.49Å
127	S	89.2	Confident	88.4	Confident	71 Å²	71	89 Å²	89	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-66.1	-45.9	-179.8	179.8	0	0	0	0	112.9	R123 E124 I125 S131	R123-S127 PolarHBondContact O-N 3.03Å; E124-S127 PolarHBondContact O-N 3.23Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 3.07Å; S127-S131 PolarHBondContact O-N 3.34Å; S127-S131 PolarHBondContact O-OG 3.28Å
128	V	86.4	Confident	88.8	Confident	89 Å²	89	86.3 Å²	86.3	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-43.9	-179.2	173.8	0	0	0	0	111.1	E124 Q130 S131 L132	E124-V128 WeakPolarHBondContact O-CG2 3.41Å; E124-V128 PolarHBondContact O-N 2.85Å; V128-Q130 PolarHBondContact O-N 2.75Å; V128-S131 PolarHBondContact O-N 3.19Å; V128-L132 HydrophobicContact CG1-CD1 4.19Å; V128-L132 PolarHBondContact O-N 3.08Å; V128-L132 VanDerWaalsContact O-N 3.08Å
129	S	85.6	Confident	89	Confident	46 Å²	46	87.9 Å²	87.9	32%	0.322	47%	0.465	S	S	.	.	H	α-helix	trans	-61.6	-44.1	179.6	53.8	0	0	0	0	112.5	I125 H126 S131 L132 I133	I125-S129 WeakPolarHBondContact O-CB 3.3Å; I125-S129 PolarHBondContact O-N 2.88Å; I125-S129 PolarHBondContact O-OG 2.77Å; H126-S129 WeakPolarHBondContact CA-OG 3.36Å; H126-S129 PolarHBondContact O-OG 3.07Å; S129-S131 VanDerWaalsContact C-N 3.3Å; S129-S131 PolarHBondContact O-N 3.09Å; S129-L132 PolarHBondContact O-N 2.64Å; S129-I133 WeakPolarHBondContact O-CG1 3.37Å; S129-I133 PolarHBondContact O-N 3.06Å; S129-I133 VanDerWaalsContact O-N 3.09Å
130	Q	90.6	Very high	89	Confident	132 Å²	132	90.9 Å²	90.9	62%	0.617	47%	0.469	S	S	*	.	H	α-helix	trans	-60.3	-40.3	175.4	-75	175.4	-5.6	0	0	112.4	H126 V128 I133 A134	H126-Q130 WeakPolarHBondContact O-CB 3.32Å; H126-Q130 VanDerWaalsContact O-CG 3.28Å; H126-Q130 WeakPolarHBondContact O-CG 3.3Å; H126-Q130 PolarHBondContact O-N 3.49Å; V128-Q130 PolarHBondContact O-N 2.75Å; Q130-I133 PolarHBondContact O-N 3Å; Q130-A134 PolarHBondContact O-N 2.99Å; Q130-A134 VanDerWaalsContact O-N 3.08Å
131	S	87.4	Confident	89.4	Confident	74 Å²	74	91.5 Å²	91.5	52%	0.517	47%	0.47	S	S	.	.	H	α-helix	trans	-65.3	-41.3	179.5	-57.1	0	0	0	0	112.3	S127 V128 S129 A135	S127-S131 PolarHBondContact O-N 3.34Å; S127-S131 PolarHBondContact O-OG 3.28Å; V128-S131 PolarHBondContact O-N 3.19Å; S129-S131 VanDerWaalsContact C-N 3.3Å; S129-S131 PolarHBondContact O-N 3.09Å; S131-A135 PolarHBondContact O-N 3.34Å; S131-A135 VanDerWaalsContact O-N 3.16Å
132	L	85.9	Confident	89.7	Confident	81 Å²	81	93.5 Å²	93.5	42%	0.424	48%	0.477	S	S	.	.	H	α-helix	trans	-67.5	-41.3	177.6	-71	173.5	0	0	0	112.4	V128 S129 A135 L136	V128-L132 HydrophobicContact CG1-CD1 4.19Å; V128-L132 PolarHBondContact O-N 3.08Å; V128-L132 VanDerWaalsContact O-N 3.08Å; S129-L132 PolarHBondContact O-N 2.64Å; L132-A135 PolarHBondContact O-N 3.02Å; L132-L136 WeakPolarHBondContact O-CG 3.36Å; L132-L136 PolarHBondContact O-N 3.29Å; L132-L136 VanDerWaalsContact O-N 3.11Å
133	I	89.5	Confident	89.6	Confident	94 Å²	94	93 Å²	93	48%	0.482	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-49.2	176.5	-68.8	166.7	0	0	0	110.1	S129 Q130 A135 L136 E137	S129-I133 WeakPolarHBondContact O-CG1 3.37Å; S129-I133 PolarHBondContact O-N 3.06Å; S129-I133 VanDerWaalsContact O-N 3.09Å; Q130-I133 PolarHBondContact O-N 3Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 3.36Å; I133-L136 PolarHBondContact O-N 3.5Å; I133-L136 VanDerWaalsContact O-N 3.16Å; I133-E137 HydrophobicContact CG2-CG 4.44Å; I133-E137 WeakPolarHBondContact O-CG 3.35Å; I133-E137 PolarHBondContact O-N 2.99Å
134	A	91.4	Very high	89.8	Confident	55 Å²	55	89.8 Å²	89.8	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-58.1	-42.3	179.4	0	0	0	0	0	112.3	Q130 L136 E137 E138	Q130-A134 PolarHBondContact O-N 2.99Å; Q130-A134 VanDerWaalsContact O-N 3.08Å; A134-L136 PolarHBondContact O-N 3.43Å; A134-E137 PolarHBondContact O-N 3.13Å; A134-E138 PolarHBondContact O-N 3Å
135	A	87.1	Confident	90.1	Very high	56 Å²	56	90.9 Å²	90.9	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-64.4	-38.9	178.1	0	0	0	0	0	112.9	S131 L132 I133 R139	S131-A135 PolarHBondContact O-N 3.34Å; S131-A135 VanDerWaalsContact O-N 3.16Å; L132-A135 PolarHBondContact O-N 3.02Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 3.36Å; A135-R139 PolarHBondContact O-N 2.85Å; A135-R139 VanDerWaalsContact O-N 3.09Å
136	L	86.4	Confident	90.4	Very high	97 Å²	97	91.9 Å²	91.9	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-68.1	-40.7	176.7	-72	171.5	0	0	0	111.9	L132 I133 A134 R139 R140 I238	L132-L136 WeakPolarHBondContact O-CG 3.36Å; L132-L136 PolarHBondContact O-N 3.29Å; L132-L136 VanDerWaalsContact O-N 3.11Å; I133-L136 PolarHBondContact O-N 3.5Å; I133-L136 VanDerWaalsContact O-N 3.16Å; A134-L136 PolarHBondContact O-N 3.43Å; L136-R139 PolarHBondContact O-N 3.29Å; L136-R140 PolarHBondContact O-N 2.93Å; L136-I238 HydrophobicContact CD1-CD1 4.21Å; L136-I238 HydrophobicContact CD2-CD1 4.25Å
137	E	93.1	Very high	90.6	Very high	96 Å²	96	90.1 Å²	90.1	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-64.8	-42.4	176.8	-71.4	-175.9	150.5	0	0	112.1	I133 A134 R139 R140 N141	I133-E137 HydrophobicContact CG2-CG 4.44Å; I133-E137 WeakPolarHBondContact O-CG 3.35Å; I133-E137 PolarHBondContact O-N 2.99Å; A134-E137 PolarHBondContact O-N 3.13Å; E137-R139 VanDerWaalsContact C-N 3.33Å; E137-R139 PolarHBondContact O-N 3.45Å; E137-R140 WeakPolarHBondContact O-CB 3.43Å; E137-R140 PolarHBondContact O-N 3.43Å; E137-N141 VanDerWaalsContact O-CG 3.24Å; E137-N141 PolarHBondContact O-N 3.22Å; E137-N141 VanDerWaalsContact O-N 3.11Å; E137-N141 PolarHBondContact O-OD1 3.4Å
138	E	93.1	Very high	90.8	Very high	106 Å²	106	91.4 Å²	91.4	50%	0.495	46%	0.464	S	S	.	.	H	α-helix	trans	-60.6	-44.2	174.8	-168.4	-165.9	150.8	0	0	111	A134 R140 N141 K142	A134-E138 PolarHBondContact O-N 3Å; E138-R140 VanDerWaalsContact C-N 3.35Å; E138-R140 PolarHBondContact O-N 3.47Å; E138-N141 PolarHBondContact O-N 3.04Å; E138-K142 PolarHBondContact O-N 3.4Å; E138-K142 VanDerWaalsContact O-N 3.12Å; E138-K142 WeakPolarHBondContact OE1-CE 3.29Å; E138-K142 IonicContact OE1-NZ 3.29Å; E138-K142 PolarHBondContact OE1-NZ 3.01Å
139	R	89.8	Confident	91.2	Very high	108 Å²	108	90.7 Å²	90.7	41%	0.408	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-41.3	179.9	-174.7	59.4	179.8	133.8	-10	112.1	A135 L136 E137 N141 K142 W143	A135-R139 PolarHBondContact O-N 2.85Å; A135-R139 VanDerWaalsContact O-N 3.09Å; L136-R139 PolarHBondContact O-N 3.29Å; E137-R139 VanDerWaalsContact C-N 3.33Å; E137-R139 PolarHBondContact O-N 3.45Å; R139-N141 VanDerWaalsContact C-N 3.35Å; R139-K142 PolarHBondContact O-N 3Å; R139-W143 HydrophobicContact CG-CD2 4.34Å; R139-W143 HydrophobicContact CG-CE3 4.28Å; R139-W143 HydrophobicContact CG-CH2 3.91Å; R139-W143 HydrophobicContact CG-CZ2 3.98Å; R139-W143 HydrophobicContact CG-CZ3 4.07Å; R139-W143 PolarHBondContact O-N 2.84Å
140	R	92.2	Very high	91.5	Very high	129 Å²	129	92.3 Å²	92.3	49%	0.487	47%	0.467	S	S	.	.	H	α-helix	trans	-56	-49.8	174.5	178.1	-167.9	67.2	-164	-6.2	110.9	L136 E137 E138 K142 W143 L144	L136-R140 PolarHBondContact O-N 2.93Å; E137-R140 WeakPolarHBondContact O-CB 3.43Å; E137-R140 PolarHBondContact O-N 3.43Å; E138-R140 VanDerWaalsContact C-N 3.35Å; E138-R140 PolarHBondContact O-N 3.47Å; R140-K142 VanDerWaalsContact C-N 3.34Å; R140-K142 PolarHBondContact O-N 3.04Å; R140-W143 PolarHBondContact O-N 3.28Å; R140-L144 HydrophobicContact CG-CD1 4.38Å; R140-L144 WeakPolarHBondContact O-CG 3.28Å; R140-L144 PolarHBondContact O-N 3.22Å
141	N	95.1	Very high	91.7	Very high	72 Å²	72	92.2 Å²	92.2	39%	0.385	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-41.9	-176.8	-63.8	-9.5	0	0	0	111.4	E137 E138 R139 W143 L144 E145	E137-N141 VanDerWaalsContact O-CG 3.24Å; E137-N141 PolarHBondContact O-N 3.22Å; E137-N141 VanDerWaalsContact O-N 3.11Å; E137-N141 PolarHBondContact O-OD1 3.4Å; E138-N141 PolarHBondContact O-N 3.04Å; R139-N141 VanDerWaalsContact C-N 3.35Å; N141-W143 VanDerWaalsContact C-N 3.33Å; N141-W143 PolarHBondContact O-N 2.89Å; N141-L144 PolarHBondContact O-N 2.72Å; N141-L144 VanDerWaalsContact O-N 3.16Å; N141-E145 WeakPolarHBondContact O-CG 3.36Å; N141-E145 PolarHBondContact O-N 3.34Å
142	K	93.4	Very high	92.1	Very high	94 Å²	94	92.4 Å²	92.4	41%	0.409	46%	0.463	S	S	.	.	H	α-helix	trans	-60.2	-37.3	175.5	-76.2	176.9	170.3	164.7	0	113.7	E138 R139 R140 Q146	E138-K142 PolarHBondContact O-N 3.4Å; E138-K142 VanDerWaalsContact O-N 3.12Å; E138-K142 WeakPolarHBondContact OE1-CE 3.29Å; E138-K142 IonicContact OE1-NZ 3.29Å; E138-K142 PolarHBondContact OE1-NZ 3.01Å; R139-K142 PolarHBondContact O-N 3Å; R140-K142 VanDerWaalsContact C-N 3.34Å; R140-K142 PolarHBondContact O-N 3.04Å; K142-Q146 WeakPolarHBondContact O-CG 3.35Å; K142-Q146 PolarHBondContact O-N 3.18Å; K142-Q146 VanDerWaalsContact O-N 3.12Å
143	W	89.7	Confident	92.4	Very high	75 Å²	75	92.7 Å²	92.7	28%	0.284	47%	0.467	S	S	.	.	H	α-helix	trans	-66.9	-40	175.3	-77.6	-41	0	0	0	112.4	R139 R140 N141 E145 Q146 I147 F227 P230	R139-W143 HydrophobicContact CG-CD2 4.34Å; R139-W143 HydrophobicContact CG-CE3 4.28Å; R139-W143 HydrophobicContact CG-CH2 3.91Å; R139-W143 HydrophobicContact CG-CZ2 3.98Å; R139-W143 HydrophobicContact CG-CZ3 4.07Å; R139-W143 PolarHBondContact O-N 2.84Å; R140-W143 PolarHBondContact O-N 3.28Å; N141-W143 VanDerWaalsContact C-N 3.33Å; N141-W143 PolarHBondContact O-N 2.89Å; W143-E145 VanDerWaalsContact C-N 3.34Å; W143-Q146 PolarHBondContact O-N 3.11Å; W143-I147 WeakPolarHBondContact O-CG1 3.35Å; W143-I147 PolarHBondContact O-N 3.18Å; W143-F227 AromaticContact CD2-CE2 3.94Å; W143-F227 HydrophobicContact CD2-CE2 3.94Å; W143-F227 HydrophobicContact CE3-CE2 4.03Å; W143-F227 HydrophobicContact CE3-CZ 4.31Å; W143-F227 HydrophobicContact CG-CE2 4.45Å; W143-F227 HydrophobicContact CH2-CE2 4.34Å; W143-F227 HydrophobicContact CH2-CZ 4.28Å; W143-F227 HydrophobicContact CZ2-CE2 4.23Å; W143-F227 HydrophobicContact CZ3-CE2 4.23Å; W143-F227 HydrophobicContact CZ3-CZ 4.14Å; W143-P230 HydrophobicContact CH2-CG 4.16Å
144	L	94.6	Very high	92.6	Very high	103 Å²	103	89.6 Å²	89.6	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-63.7	-42	177.7	-65.2	173.6	0	0	0	111.3	R140 N141 Q146 I147 E148	R140-L144 HydrophobicContact CG-CD1 4.38Å; R140-L144 WeakPolarHBondContact O-CG 3.28Å; R140-L144 PolarHBondContact O-N 3.22Å; N141-L144 PolarHBondContact O-N 2.72Å; N141-L144 VanDerWaalsContact O-N 3.16Å; L144-Q146 VanDerWaalsContact C-N 3.34Å; L144-Q146 PolarHBondContact O-N 3.32Å; L144-I147 PolarHBondContact O-N 3.32Å; L144-E148 PolarHBondContact O-N 3.35Å; L144-E148 VanDerWaalsContact O-N 3.13Å
145	E	94.9	Very high	92.7	Very high	131 Å²	131	92.4 Å²	92.4	61%	0.612	46%	0.455	S	S	*	.	H	α-helix	trans	-60.3	-41.8	173.8	-70.6	170.1	-172.5	0	0	112.2	N141 W143 E148 S149	N141-E145 WeakPolarHBondContact O-CG 3.36Å; N141-E145 PolarHBondContact O-N 3.34Å; W143-E145 VanDerWaalsContact C-N 3.34Å; E145-E148 PolarHBondContact O-N 3.14Å; E145-S149 PolarHBondContact O-N 3.06Å
146	Q	92.7	Very high	93	Very high	107 Å²	107	91.7 Å²	91.7	50%	0.5	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-42.1	177.6	-75.6	178.7	-28.5	0	0	112.6	K142 W143 L144 E148 S149 I150	K142-Q146 WeakPolarHBondContact O-CG 3.35Å; K142-Q146 PolarHBondContact O-N 3.18Å; K142-Q146 VanDerWaalsContact O-N 3.12Å; W143-Q146 PolarHBondContact O-N 3.11Å; L144-Q146 VanDerWaalsContact C-N 3.34Å; L144-Q146 PolarHBondContact O-N 3.32Å; Q146-E148 VanDerWaalsContact C-N 3.34Å; Q146-E148 PolarHBondContact O-N 3.09Å; Q146-S149 PolarHBondContact O-N 2.77Å; Q146-I150 WeakPolarHBondContact O-CG1 3.24Å; Q146-I150 PolarHBondContact O-N 3.26Å
147	I	93.8	Very high	93.1	Very high	76 Å²	76	89.9 Å²	89.9	39%	0.39	44%	0.444	S	S	.	.	H	α-helix	trans	-60.5	-46.4	176.9	-70.4	167.4	0	0	0	110.2	W143 L144 S149 I150 R151	W143-I147 WeakPolarHBondContact O-CG1 3.35Å; W143-I147 PolarHBondContact O-N 3.18Å; L144-I147 PolarHBondContact O-N 3.32Å; I147-S149 VanDerWaalsContact C-N 3.31Å; I147-S149 PolarHBondContact O-N 2.88Å; I147-I150 PolarHBondContact O-N 3.29Å; I147-R151 WeakPolarHBondContact O-CB 3.35Å; I147-R151 PolarHBondContact O-N 2.71Å
148	E	94	Very high	93.1	Very high	99 Å²	99	88.2 Å²	88.2	46%	0.463	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-36.1	179.5	-171.7	57.6	-153.6	0	0	111.8	L144 E145 Q146 R151 S152	L144-E148 PolarHBondContact O-N 3.35Å; L144-E148 VanDerWaalsContact O-N 3.13Å; E145-E148 PolarHBondContact O-N 3.14Å; Q146-E148 VanDerWaalsContact C-N 3.34Å; Q146-E148 PolarHBondContact O-N 3.09Å; E148-R151 PolarHBondContact O-N 3.17Å; E148-R151 IonicContact OE1-NH1 3.37Å; E148-R151 PolarHBondContact OE1-NH1 3.36Å; E148-R151 WeakPolarHBondContact OE2-CD 3.44Å; E148-R151 IonicContact OE2-CZ 2.76Å; E148-R151 IonicContact OE2-NH1 3.23Å; E148-R151 PolarHBondContact OE2-NH1 3.25Å; E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 3.26Å
149	S	95.3	Very high	93.1	Very high	74 Å²	74	86 Å²	86	52%	0.517	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-47.3	174.1	-178.9	0	0	0	0	112.6	E145 Q146 I147 R151 S152 V153	E145-S149 PolarHBondContact O-N 3.06Å; Q146-S149 PolarHBondContact O-N 2.77Å; I147-S149 VanDerWaalsContact C-N 3.31Å; I147-S149 PolarHBondContact O-N 2.88Å; S149-R151 VanDerWaalsContact C-N 3.35Å; S149-R151 PolarHBondContact O-N 3.46Å; S149-S152 PolarHBondContact O-N 2.87Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 3.17Å; S149-V153 VanDerWaalsContact O-N 3.12Å
150	I	92.6	Very high	93.2	Very high	79 Å²	79	83.3 Å²	83.3	41%	0.405	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-45.8	177.8	-67.1	165.8	0	0	0	110.3	Q146 I147 S152 V153 K154 I225	Q146-I150 WeakPolarHBondContact O-CG1 3.24Å; Q146-I150 PolarHBondContact O-N 3.26Å; I147-I150 PolarHBondContact O-N 3.29Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.38Å; I150-V153 PolarHBondContact O-N 3.26Å; I150-K154 HydrophobicContact CG2-CD 4.34Å; I150-K154 HydrophobicContact CG2-CG 4.45Å; I150-K154 PolarHBondContact O-N 2.77Å; I150-I225 HydrophobicContact CG2-CD1 4.04Å; I150-I225 HydrophobicContact CG2-CG1 4.18Å
151	R	93.6	Very high	93.2	Very high	131 Å²	131	77.8 Å²	77.8	49%	0.494	42%	0.415	S	S	.	.	H	α-helix	trans	-55.8	-48.6	176	177.3	-166.8	172.2	-167.1	-0.5	111.1	I147 E148 S149 V153 K154 M155	I147-R151 WeakPolarHBondContact O-CB 3.35Å; I147-R151 PolarHBondContact O-N 2.71Å; E148-R151 PolarHBondContact O-N 3.17Å; E148-R151 IonicContact OE1-NH1 3.37Å; E148-R151 PolarHBondContact OE1-NH1 3.36Å; E148-R151 WeakPolarHBondContact OE2-CD 3.44Å; E148-R151 IonicContact OE2-CZ 2.76Å; E148-R151 IonicContact OE2-NH1 3.23Å; E148-R151 PolarHBondContact OE2-NH1 3.25Å; S149-R151 VanDerWaalsContact C-N 3.35Å; S149-R151 PolarHBondContact O-N 3.46Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 PolarHBondContact O-N 3.42Å; R151-K154 PolarHBondContact O-N 3.5Å; R151-M155 HydrophobicContact CG-CG 4.2Å; R151-M155 VanDerWaalsContact O-CB 3.29Å; R151-M155 WeakPolarHBondContact O-CB 3.37Å; R151-M155 WeakPolarHBondContact O-CG 3.45Å; R151-M155 PolarHBondContact O-N 3.26Å
152	S	95.2	Very high	93.1	Very high	78 Å²	78	78.7 Å²	78.7	55%	0.545	42%	0.416	S	S	.	.	H	α-helix	trans	-58.3	-44.1	-179.5	-176.1	0	0	0	0	112	E148 S149 I150 G156	E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 3.26Å; S149-S152 PolarHBondContact O-N 2.87Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.38Å; S152-G156 PolarHBondContact O-N 2.81Å
153	V	92.8	Very high	93.2	Very high	86 Å²	86	78.1 Å²	78.1	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-52.4	177.7	174.6	0	0	0	0	111.7	S149 I150 R151 M155 G156 I157	S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 3.17Å; S149-V153 VanDerWaalsContact O-N 3.12Å; I150-V153 PolarHBondContact O-N 3.26Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 PolarHBondContact O-N 3.42Å; V153-M155 VanDerWaalsContact C-N 3.32Å; V153-M155 PolarHBondContact O-N 3.48Å; V153-G156 PolarHBondContact O-N 3.13Å; V153-G156 VanDerWaalsContact O-N 3.15Å; V153-I157 HydrophobicContact CG1-CD1 3.93Å; V153-I157 WeakPolarHBondContact O-CG1 3.3Å; V153-I157 PolarHBondContact O-N 3.03Å
154	K	93.2	Very high	93.3	Very high	30 Å²	30	80.7 Å²	80.7	13%	0.13	43%	0.428	C	S	.	.	H	α-helix	trans	-58.8	-44.4	-179.5	-75	-166.1	160.3	-165.8	0	111.5	I150 R151 G156 I157 L158 E221 D222 A224	I150-K154 HydrophobicContact CG2-CD 4.34Å; I150-K154 HydrophobicContact CG2-CG 4.45Å; I150-K154 PolarHBondContact O-N 2.77Å; R151-K154 PolarHBondContact O-N 3.5Å; K154-G156 PolarHBondContact O-N 3.47Å; K154-I157 PolarHBondContact O-N 2.84Å; K154-L158 WeakPolarHBondContact O-CB 3.38Å; K154-L158 WeakPolarHBondContact O-CG 3.29Å; K154-L158 PolarHBondContact O-N 2.86Å; K154-E221 VanDerWaalsContact CE-OE2 3.27Å; K154-E221 WeakPolarHBondContact CE-OE2 3.22Å; K154-E221 HydrophobicContact CG-CG 4.46Å; K154-D222 PolarHBondContact NZ-O 2.9Å; K154-D222 IonicContact NZ-OD1 3.07Å; K154-D222 PolarHBondContact NZ-OD1 2.52Å; K154-A224 PolarHBondContact NZ-O 3.47Å
155	M	93.6	Very high	93.2	Very high	113 Å²	113	78.1 Å²	78.1	56%	0.557	41%	0.414	S	S	*	.	H	α-helix	trans	-64.3	-39.3	177.3	-69.5	-66.3	-100.4	0	0	112.2	R151 V153 S159	R151-M155 HydrophobicContact CG-CG 4.2Å; R151-M155 VanDerWaalsContact O-CB 3.29Å; R151-M155 WeakPolarHBondContact O-CB 3.37Å; R151-M155 WeakPolarHBondContact O-CG 3.45Å; R151-M155 PolarHBondContact O-N 3.26Å; V153-M155 VanDerWaalsContact C-N 3.32Å; V153-M155 PolarHBondContact O-N 3.48Å; M155-S159 VanDerWaalsContact O-CB 3.26Å; M155-S159 WeakPolarHBondContact O-CB 3.37Å; M155-S159 PolarHBondContact O-N 2.82Å
156	G	93	Very high	93.2	Very high	42 Å²	42	77.2 Å²	77.2	43%	0.433	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176	0	0	0	0	0	113	S152 V153 K154 A160	S152-G156 PolarHBondContact O-N 2.81Å; V153-G156 PolarHBondContact O-N 3.13Å; V153-G156 VanDerWaalsContact O-N 3.15Å; K154-G156 PolarHBondContact O-N 3.47Å; G156-A160 PolarHBondContact O-N 3.42Å; G156-A160 VanDerWaalsContact O-N 3.12Å
157	I	90.2	Very high	93.2	Very high	58 Å²	58	77.4 Å²	77.4	30%	0.297	41%	0.406	S	S	.	.	H	α-helix	trans	-67	-49.4	178.5	-64.8	167.7	0	0	0	110.8	V153 K154 S159 A160 Q161 E221	V153-I157 HydrophobicContact CG1-CD1 3.93Å; V153-I157 WeakPolarHBondContact O-CG1 3.3Å; V153-I157 PolarHBondContact O-N 3.03Å; K154-I157 PolarHBondContact O-N 2.84Å; I157-S159 VanDerWaalsContact C-N 3.31Å; I157-S159 PolarHBondContact O-N 3.33Å; I157-A160 PolarHBondContact O-N 3.36Å; I157-A160 VanDerWaalsContact O-N 3.13Å; I157-Q161 HydrophobicContact CG2-CG 4.47Å; I157-Q161 WeakPolarHBondContact O-CG 3.34Å; I157-Q161 PolarHBondContact O-N 2.88Å; I157-E221 HydrophobicContact CB-CG 4.02Å; I157-E221 HydrophobicContact CD1-CG 4.13Å; I157-E221 WeakPolarHBondContact CD1-OE1 3.32Å; I157-E221 HydrophobicContact CG2-CG 3.8Å
158	L	92.8	Very high	93.1	Very high	61 Å²	61	75.9 Å²	75.9	32%	0.319	40%	0.396	S	S	.	.	H	α-helix	trans	-59.9	-41.1	178.9	-72.2	170.7	0	0	0	111.8	K154 A160 Q161 E162 P219 E221	K154-L158 WeakPolarHBondContact O-CB 3.38Å; K154-L158 WeakPolarHBondContact O-CG 3.29Å; K154-L158 PolarHBondContact O-N 2.86Å; L158-A160 PolarHBondContact O-N 2.82Å; L158-Q161 PolarHBondContact O-N 3.22Å; L158-E162 WeakPolarHBondContact O-CB 3.44Å; L158-E162 PolarHBondContact O-N 3.16Å; L158-P219 HydrophobicContact CD2-CB 4.4Å; L158-E221 HydrophobicContact CD1-CB 4.39Å; L158-E221 HydrophobicContact CD2-CB 4.02Å; L158-E221 HydrophobicContact CG-CB 4.02Å
159	S	93.2	Very high	93.1	Very high	59 Å²	59	76.5 Å²	76.5	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-60.5	-43.8	174.7	-172.8	0	0	0	0	111.9	M155 I157 E162 D163	M155-S159 VanDerWaalsContact O-CB 3.26Å; M155-S159 WeakPolarHBondContact O-CB 3.37Å; M155-S159 PolarHBondContact O-N 2.82Å; I157-S159 VanDerWaalsContact C-N 3.31Å; I157-S159 PolarHBondContact O-N 3.33Å; S159-E162 PolarHBondContact O-N 3.26Å; S159-D163 PolarHBondContact O-N 3.46Å
160	A	91.1	Very high	93.1	Very high	52 Å²	52	76.5 Å²	76.5	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-67.4	-36.8	178.8	0	0	0	0	0	112.6	G156 I157 L158 R164	G156-A160 PolarHBondContact O-N 3.42Å; G156-A160 VanDerWaalsContact O-N 3.12Å; I157-A160 PolarHBondContact O-N 3.36Å; I157-A160 VanDerWaalsContact O-N 3.13Å; L158-A160 PolarHBondContact O-N 2.82Å; A160-R164 VanDerWaalsContact O-CG 3.28Å; A160-R164 WeakPolarHBondContact O-CG 3.45Å; A160-R164 PolarHBondContact O-N 3.12Å
161	Q	91.8	Very high	93.1	Very high	14 Å²	14	78.2 Å²	78.2	7%	0.065	39%	0.389	C	S	.	.	H	α-helix	trans	-64.6	-45.7	173.7	-73.3	176	-27.4	0	0	111.2	I157 L158 D163 R164 L165 F217 L218 Q220	I157-Q161 HydrophobicContact CG2-CG 4.47Å; I157-Q161 WeakPolarHBondContact O-CG 3.34Å; I157-Q161 PolarHBondContact O-N 2.88Å; L158-Q161 PolarHBondContact O-N 3.22Å; Q161-D163 PolarHBondContact O-N 3.21Å; Q161-R164 PolarHBondContact O-N 3.04Å; Q161-L165 WeakPolarHBondContact O-CG 3.22Å; Q161-L165 PolarHBondContact O-N 3.11Å; Q161-F217 WeakPolarHBondContact CB-O 3.41Å; Q161-L218 PolarHBondContact NE2-O 2.75Å; Q161-L218 VanDerWaalsContact NE2-O 3.07Å; Q161-Q220 VanDerWaalsContact NE2-CG 3.26Å
162	E	94.2	Very high	93.1	Very high	90 Å²	90	73.5 Å²	73.5	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-56.3	-50.6	175.6	-176.7	-176.1	176	0	0	111.3	L158 S159 R164 L165 R166	L158-E162 WeakPolarHBondContact O-CB 3.44Å; L158-E162 PolarHBondContact O-N 3.16Å; S159-E162 PolarHBondContact O-N 3.26Å; E162-R164 VanDerWaalsContact C-N 3.27Å; E162-R164 PolarHBondContact O-N 3.38Å; E162-L165 PolarHBondContact O-N 3.31Å; E162-R166 HydrophobicContact CG-CG 4.42Å; E162-R166 WeakPolarHBondContact O-CB 3.45Å; E162-R166 VanDerWaalsContact O-CG 3.25Å; E162-R166 WeakPolarHBondContact O-CG 3.1Å; E162-R166 PolarHBondContact O-N 3.28Å; E162-R166 IonicContact OE1-CZ 2.74Å; E162-R166 IonicContact OE1-NE 3.16Å; E162-R166 PolarHBondContact OE1-NE 3.32Å; E162-R166 IonicContact OE1-NH2 2.73Å; E162-R166 PolarHBondContact OE1-NH2 3.15Å
163	D	94.3	Very high	93.1	Very high	82 Å²	82	76.5 Å²	76.5	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-39.9	-179.3	-76	-25	0	0	0	112.3	S159 Q161 R166 Q167	S159-D163 PolarHBondContact O-N 3.46Å; Q161-D163 PolarHBondContact O-N 3.21Å; D163-R166 PolarHBondContact O-N 3.23Å; D163-Q167 WeakPolarHBondContact O-CG 3.19Å; D163-Q167 PolarHBondContact O-N 2.81Å
164	R	91.5	Very high	93.2	Very high	129 Å²	129	76.4 Å²	76.4	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-71.8	-42.4	179.9	-72.6	-71.7	-157.1	-174	7.4	112.6	A160 Q161 E162 R166 Q167 Y168 F217	A160-R164 VanDerWaalsContact O-CG 3.28Å; A160-R164 WeakPolarHBondContact O-CG 3.45Å; A160-R164 PolarHBondContact O-N 3.12Å; Q161-R164 PolarHBondContact O-N 3.04Å; E162-R164 VanDerWaalsContact C-N 3.27Å; E162-R164 PolarHBondContact O-N 3.38Å; R164-R166 VanDerWaalsContact C-N 3.28Å; R164-R166 PolarHBondContact O-N 3.08Å; R164-Q167 PolarHBondContact O-N 2.99Å; R164-Y168 PolarHBondContact O-N 3.46Å; R164-F217 HydrophobicContact CB-CB 4.16Å; R164-F217 HydrophobicContact CB-CD1 3.54Å; R164-F217 HydrophobicContact CB-CD2 4.47Å; R164-F217 HydrophobicContact CB-CE1 4.01Å; R164-F217 HydrophobicContact CB-CG 3.79Å; R164-F217 HydrophobicContact CG-CD1 3.59Å; R164-F217 HydrophobicContact CG-CE1 3.54Å; R164-F217 HydrophobicContact CG-CG 4.27Å; R164-F217 HydrophobicContact CG-CZ 4.14Å
165	L	93.2	Very high	93.1	Very high	50 Å²	50	75.2 Å²	75.2	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-36.4	173.8	-70.3	175.7	0	0	0	111.3	Q161 E162 Y168 R169 P214 F217	Q161-L165 WeakPolarHBondContact O-CG 3.22Å; Q161-L165 PolarHBondContact O-N 3.11Å; E162-L165 PolarHBondContact O-N 3.31Å; L165-Y168 PolarHBondContact O-N 3.04Å; L165-R169 WeakPolarHBondContact O-CB 3.48Å; L165-R169 PolarHBondContact O-N 2.8Å; L165-P214 HydrophobicContact CD2-CG 4.21Å; L165-F217 VanDerWaalsContact CD1-O 3.31Å; L165-F217 WeakPolarHBondContact CD1-O 3.3Å; L165-F217 HydrophobicContact CD2-CB 4.42Å; L165-F217 HydrophobicContact CG-CB 4.4Å
166	R	95.1	Very high	93	Very high	111 Å²	111	73.2 Å²	73.2	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-47.7	173	-74.2	176.1	177.8	-76.8	-6.4	111.7	E162 D163 R164 Y168 R169 D170	E162-R166 HydrophobicContact CG-CG 4.42Å; E162-R166 WeakPolarHBondContact O-CB 3.45Å; E162-R166 VanDerWaalsContact O-CG 3.25Å; E162-R166 WeakPolarHBondContact O-CG 3.1Å; E162-R166 PolarHBondContact O-N 3.28Å; E162-R166 IonicContact OE1-CZ 2.74Å; E162-R166 IonicContact OE1-NE 3.16Å; E162-R166 PolarHBondContact OE1-NE 3.32Å; E162-R166 IonicContact OE1-NH2 2.73Å; E162-R166 PolarHBondContact OE1-NH2 3.15Å; D163-R166 PolarHBondContact O-N 3.23Å; R164-R166 VanDerWaalsContact C-N 3.28Å; R164-R166 PolarHBondContact O-N 3.08Å; R166-Y168 VanDerWaalsContact C-N 3.35Å; R166-Y168 PolarHBondContact O-N 3.01Å; R166-R169 PolarHBondContact O-N 2.77Å; R166-D170 PolarHBondContact O-N 3.14Å
167	Q	92.3	Very high	93.1	Very high	111 Å²	111	74.8 Å²	74.8	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-44.7	175.9	-72.2	169.4	20.3	0	0	112.2	D163 R164 D170 R171	D163-Q167 WeakPolarHBondContact O-CG 3.19Å; D163-Q167 PolarHBondContact O-N 2.81Å; R164-Q167 PolarHBondContact O-N 2.99Å; Q167-D170 PolarHBondContact O-N 3.44Å; Q167-R171 PolarHBondContact O-N 2.64Å
168	Y	91.8	Very high	93.1	Very high	44 Å²	44	74.7 Å²	74.7	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-47.8	177.8	172.2	-106.5	0	0	0	112.5	R164 L165 R166 D170 R171 I172 C209 F213 P214	R164-Y168 PolarHBondContact O-N 3.46Å; L165-Y168 PolarHBondContact O-N 3.04Å; R166-Y168 VanDerWaalsContact C-N 3.35Å; R166-Y168 PolarHBondContact O-N 3.01Å; Y168-D170 VanDerWaalsContact C-N 3.26Å; Y168-D170 PolarHBondContact O-N 2.77Å; Y168-R171 PolarHBondContact O-N 3Å; Y168-I172 HydrophobicContact CD1-CD1 4.37Å; Y168-I172 HydrophobicContact CD2-CD1 4.36Å; Y168-I172 HydrophobicContact CE1-CD1 3.56Å; Y168-I172 HydrophobicContact CE2-CD1 3.56Å; Y168-I172 HydrophobicContact CE2-CG1 4.12Å; Y168-I172 PolarHBondContact O-N 3.47Å; Y168-I172 WeakPolarHBondContact OH-CD1 3.38Å; Y168-C209 WeakPolarHBondContact CE2-O 3.45Å; Y168-C209 PolarHBondContact OH-O 2.82Å; Y168-F213 HydrophobicContact CD1-CD2 4.46Å; Y168-F213 HydrophobicContact CD1-CE2 4.47Å; Y168-F213 AromaticContact CE1-CD2 3.47Å; Y168-F213 HydrophobicContact CE1-CD2 3.47Å; Y168-F213 VanDerWaalsContact CE1-CD2 3.47Å; Y168-F213 AromaticContact CE1-CE2 3.74Å; Y168-F213 HydrophobicContact CE1-CE2 3.74Å; Y168-F213 HydrophobicContact CE1-CG 4.47Å; Y168-F213 AromaticContact CZ-CD2 3.55Å; Y168-F213 VanDerWaalsContact OH-CD2 3.27Å; Y168-F213 WeakPolarHBondContact OH-CD2 3.43Å; Y168-P214 HydrophobicContact CD1-CG 4.05Å; Y168-P214 VanDerWaalsContact CD2-CD 3.48Å; Y168-P214 HydrophobicContact CD2-CG 4.01Å; Y168-P214 HydrophobicContact CG-CG 3.72Å
169	R	94.5	Very high	92.8	Very high	113 Å²	113	72.4 Å²	72.4	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-52.8	-47.5	174.5	175.1	-157.7	65.9	-150.5	-7.8	110.8	L165 R166 I172 K173	L165-R169 WeakPolarHBondContact O-CB 3.48Å; L165-R169 PolarHBondContact O-N 2.8Å; R166-R169 PolarHBondContact O-N 2.77Å; R169-I172 PolarHBondContact O-N 2.91Å; R169-K173 VanDerWaalsContact O-CB 3.28Å; R169-K173 WeakPolarHBondContact O-CB 3.22Å; R169-K173 PolarHBondContact O-N 3.22Å
170	D	95.6	Very high	92.6	Very high	73 Å²	73	74.9 Å²	74.9	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-40	-176.6	-64.5	-18.3	0	0	0	111.3	R166 Q167 Y168 K173 V174	R166-D170 PolarHBondContact O-N 3.14Å; Q167-D170 PolarHBondContact O-N 3.44Å; Y168-D170 VanDerWaalsContact C-N 3.26Å; Y168-D170 PolarHBondContact O-N 2.77Å; D170-K173 PolarHBondContact O-N 3.18Å; D170-V174 WeakPolarHBondContact O-CG2 3.34Å; D170-V174 PolarHBondContact O-N 3.4Å
171	R	92.7	Very high	92.4	Very high	116 Å²	116	75 Å²	75	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-46.6	175.2	-167.1	-178.8	175.1	-177.3	-5	112.4	Q167 Y168 V174 A175 E205 N208	Q167-R171 PolarHBondContact O-N 2.64Å; Y168-R171 PolarHBondContact O-N 3Å; R171-V174 PolarHBondContact O-N 2.6Å; R171-A175 PolarHBondContact O-N 2.91Å; R171-E205 IonicContact CZ-OE1 2.61Å; R171-E205 IonicContact NE-OE1 3.39Å; R171-E205 PolarHBondContact NE-OE1 2.86Å; R171-E205 IonicContact NH2-OE1 3.34Å; R171-E205 PolarHBondContact NH2-OE1 2.88Å; R171-E205 IonicContact NH2-OE2 2.6Å; R171-E205 PolarHBondContact NH2-OE2 3.15Å; R171-N208 PolarHBondContact NH2-ND2 3.3Å
172	I	92.8	Very high	91.8	Very high	32 Å²	32	76.2 Å²	76.2	16%	0.164	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-43.7	175.7	-77.9	-174.2	0	0	0	111.7	Y168 R169 V174 A175 L176 C209	Y168-I172 HydrophobicContact CD1-CD1 4.37Å; Y168-I172 HydrophobicContact CD2-CD1 4.36Å; Y168-I172 HydrophobicContact CE1-CD1 3.56Å; Y168-I172 HydrophobicContact CE2-CD1 3.56Å; Y168-I172 HydrophobicContact CE2-CG1 4.12Å; Y168-I172 PolarHBondContact O-N 3.47Å; Y168-I172 WeakPolarHBondContact OH-CD1 3.38Å; R169-I172 PolarHBondContact O-N 2.91Å; I172-V174 VanDerWaalsContact C-N 3.27Å; I172-V174 PolarHBondContact O-N 2.88Å; I172-A175 PolarHBondContact O-N 3.34Å; I172-A175 VanDerWaalsContact O-N 3.16Å; I172-L176 HydrophobicContact CG2-CD1 3.73Å; I172-L176 HydrophobicContact CG2-CG 4.22Å; I172-L176 WeakPolarHBondContact O-CB 3.2Å; I172-L176 PolarHBondContact O-N 3.17Å; I172-C209 HydrophobicContact CD1-CB 4.03Å; I172-C209 HydrophobicContact CG1-CB 3.47Å; I172-C209 VanDerWaalsContact CG1-CB 3.47Å
173	K	95.5	Very high	91.1	Very high	140 Å²	140	76.8 Å²	76.8	61%	0.609	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-41.8	-179.8	-171.3	177.4	179.5	-178.2	0	111.2	R169 D170 T177	R169-K173 VanDerWaalsContact O-CB 3.28Å; R169-K173 WeakPolarHBondContact O-CB 3.22Å; R169-K173 PolarHBondContact O-N 3.22Å; D170-K173 PolarHBondContact O-N 3.18Å; K173-T177 WeakPolarHBondContact O-CB 3.41Å; K173-T177 PolarHBondContact O-N 3.49Å; K173-T177 PolarHBondContact O-OG1 2.95Å
174	V	94.3	Very high	90.3	Very high	85 Å²	85	79.8 Å²	79.8	52%	0.515	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-47	175.5	171.5	0	0	0	0	110.8	D170 R171 I172 L176 T177 N178	D170-V174 WeakPolarHBondContact O-CG2 3.34Å; D170-V174 PolarHBondContact O-N 3.4Å; R171-V174 PolarHBondContact O-N 2.6Å; I172-V174 VanDerWaalsContact C-N 3.27Å; I172-V174 PolarHBondContact O-N 2.88Å; V174-L176 PolarHBondContact O-N 3.35Å; V174-T177 PolarHBondContact O-N 2.62Å; V174-N178 PolarHBondContact O-N 2.86Å; V174-N178 PolarHBondContact O-ND2 3.02Å
175	A	90.9	Very high	89.5	Confident	4 Å²	4	78.3 Å²	78.3	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-46.2	-179.8	0	0	0	0	0	112.4	R171 I172 N178 V179 E205 L206	R171-A175 PolarHBondContact O-N 2.91Å; I172-A175 PolarHBondContact O-N 3.34Å; I172-A175 VanDerWaalsContact O-N 3.16Å; A175-N178 PolarHBondContact O-N 2.85Å; A175-V179 WeakPolarHBondContact O-CG2 3.48Å; A175-V179 PolarHBondContact O-N 3.01Å; A175-E205 HydrophobicContact CB-CG 4.41Å; A175-L206 HydrophobicContact CB-CB 4.14Å; A175-L206 HydrophobicContact CB-CD1 4.11Å
176	L	93.1	Very high	88.4	Confident	72 Å²	72	79.2 Å²	79.2	38%	0.377	39%	0.391	S	S	.	.	H	α-helix	trans	-59.6	-48.4	174.4	-78.5	170.6	0	0	0	111.8	I172 V174 N178 V179 E180 L206	I172-L176 HydrophobicContact CG2-CD1 3.73Å; I172-L176 HydrophobicContact CG2-CG 4.22Å; I172-L176 WeakPolarHBondContact O-CB 3.2Å; I172-L176 PolarHBondContact O-N 3.17Å; V174-L176 PolarHBondContact O-N 3.35Å; L176-N178 VanDerWaalsContact C-N 3.26Å; L176-N178 PolarHBondContact O-N 3.06Å; L176-V179 PolarHBondContact O-N 3.23Å; L176-V179 VanDerWaalsContact O-N 3.16Å; L176-E180 WeakPolarHBondContact O-CB 3.44Å; L176-E180 WeakPolarHBondContact O-CG 3.28Å; L176-E180 PolarHBondContact O-N 2.85Å; L176-L206 HydrophobicContact CD2-CD1 3.93Å; L176-L206 HydrophobicContact CD2-CD2 3.95Å; L176-L206 HydrophobicContact CG-CD1 3.91Å
177	T	93.9	Very high	86.8	Confident	75 Å²	75	78.2 Å²	78.2	46%	0.46	40%	0.4	S	S	.	.	H	α-helix	trans	-56.7	-42	-179.7	-57.5	0	0	0	0	111.5	K173 V174 A181	K173-T177 WeakPolarHBondContact O-CB 3.41Å; K173-T177 PolarHBondContact O-N 3.49Å; K173-T177 PolarHBondContact O-OG1 2.95Å; V174-T177 PolarHBondContact O-N 2.62Å; T177-A181 WeakPolarHBondContact O-CB 3.19Å; T177-A181 PolarHBondContact O-N 2.77Å
178	N	89.8	Confident	85.3	Confident	55 Å²	55	80 Å²	80	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-65.4	-43.4	179	-69.3	-20.4	0	0	0	112.3	V174 A175 L176 Y182 W202	V174-N178 PolarHBondContact O-N 2.86Å; V174-N178 PolarHBondContact O-ND2 3.02Å; A175-N178 PolarHBondContact O-N 2.85Å; L176-N178 VanDerWaalsContact C-N 3.26Å; L176-N178 PolarHBondContact O-N 3.06Å; N178-Y182 PolarHBondContact O-N 3.16Å; N178-W202 HydrophobicContact CB-CD2 3.76Å; N178-W202 HydrophobicContact CB-CE3 4.31Å; N178-W202 HydrophobicContact CB-CG 3.85Å; N178-W202 HydrophobicContact CB-CZ2 4.34Å
179	V	87.9	Confident	83.6	Confident	14 Å²	14	80.1 Å²	80.1	9%	0.085	42%	0.423	C	S	.	.	H	α-helix	trans	-67.2	-46.1	178.7	175.7	0	0	0	0	111.1	A175 L176 A181 Y182 L183 W202 L203 L206	A175-V179 WeakPolarHBondContact O-CG2 3.48Å; A175-V179 PolarHBondContact O-N 3.01Å; L176-V179 PolarHBondContact O-N 3.23Å; L176-V179 VanDerWaalsContact O-N 3.16Å; V179-A181 PolarHBondContact O-N 3.47Å; V179-Y182 PolarHBondContact O-N 3.03Å; V179-L183 HydrophobicContact CG1-CD1 4.15Å; V179-L183 WeakPolarHBondContact O-CG 3.32Å; V179-L183 PolarHBondContact O-N 2.83Å; V179-W202 HydrophobicContact CG2-CB 3.81Å; V179-L203 HydrophobicContact CG1-CD2 4.05Å; V179-L203 HydrophobicContact CG2-CD2 4.24Å; V179-L206 HydrophobicContact CG2-CD2 4.39Å
180	E	88.5	Confident	81.5	Confident	111 Å²	111	82.1 Å²	82.1	52%	0.519	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-41.6	178.6	-73.3	179.4	174.4	0	0	112.3	L176 Y182 L183 K184	L176-E180 WeakPolarHBondContact O-CB 3.44Å; L176-E180 WeakPolarHBondContact O-CG 3.28Å; L176-E180 PolarHBondContact O-N 2.85Å; E180-Y182 VanDerWaalsContact C-N 3.3Å; E180-Y182 PolarHBondContact O-N 2.9Å; E180-L183 PolarHBondContact O-N 2.75Å; E180-K184 PolarHBondContact O-N 3.2Å
181	A	85.9	Confident	79.3	Confident	54 Å²	54	83.8 Å²	83.8	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-40.7	176.2	0	0	0	0	0	111.6	T177 V179 V185	T177-A181 WeakPolarHBondContact O-CB 3.19Å; T177-A181 PolarHBondContact O-N 2.77Å; V179-A181 PolarHBondContact O-N 3.47Å; A181-V185 WeakPolarHBondContact O-CG2 3.18Å; A181-V185 PolarHBondContact O-N 3.43Å
182	Y	80.2	Confident	77.2	Confident	39 Å²	39	81 Å²	81	15%	0.153	47%	0.469	C	S	.	.	H	α-helix	trans	-66.5	-44.8	176.8	-170.9	-93.2	0	0	0	112.7	N178 V179 E180 K184 V185 V186 A194 L199 W202	N178-Y182 PolarHBondContact O-N 3.16Å; V179-Y182 PolarHBondContact O-N 3.03Å; E180-Y182 VanDerWaalsContact C-N 3.3Å; E180-Y182 PolarHBondContact O-N 2.9Å; Y182-K184 PolarHBondContact O-N 2.8Å; Y182-V185 PolarHBondContact O-N 2.8Å; Y182-V186 HydrophobicContact CD1-CG2 3.74Å; Y182-V186 HydrophobicContact CE1-CG2 3.36Å; Y182-V186 PolarHBondContact O-N 3.23Å; Y182-A194 VanDerWaalsContact OH-CB 3.27Å; Y182-A194 WeakPolarHBondContact OH-CB 3.27Å; Y182-L199 HydrophobicContact CD1-CB 4.1Å; Y182-L199 HydrophobicContact CD1-CD1 3.7Å; Y182-L199 HydrophobicContact CD1-CD2 3.86Å; Y182-L199 HydrophobicContact CD1-CG 4.07Å; Y182-L199 HydrophobicContact CE1-CB 3.78Å; Y182-L199 HydrophobicContact CE1-CD1 4.15Å; Y182-L199 HydrophobicContact CE1-CD2 3.51Å; Y182-L199 HydrophobicContact CE1-CG 3.99Å; Y182-L199 HydrophobicContact CE2-CB 4.35Å; Y182-L199 HydrophobicContact CG-CD1 4.18Å; Y182-W202 AromaticContact CD2-CZ3 3.74Å; Y182-W202 HydrophobicContact CD2-CZ3 3.74Å; Y182-W202 HydrophobicContact CG-CZ3 4.08Å
183	L	78.6	Confident	75.4	Confident	102 Å²	102	85.4 Å²	85.4	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-37.4	180	-74.3	172.1	0	0	0	112	V179 E180 V186 S187	V179-L183 HydrophobicContact CG1-CD1 4.15Å; V179-L183 WeakPolarHBondContact O-CG 3.32Å; V179-L183 PolarHBondContact O-N 2.83Å; E180-L183 PolarHBondContact O-N 2.75Å; L183-V186 PolarHBondContact O-N 3.21Å; L183-S187 PolarHBondContact O-N 3.21Å; L183-S187 VanDerWaalsContact O-N 3.09Å; L183-S187 PolarHBondContact O-OG 3.42Å
184	K	78.6	Confident	73.5	Confident	146 Å²	146	81.2 Å²	81.2	64%	0.635	49%	0.494	S	S	*	.	H	α-helix	trans	-63.4	-38	173.9	-74	-179.5	179.6	177.6	0	113	E180 Y182 S187 D188	E180-K184 PolarHBondContact O-N 3.2Å; Y182-K184 PolarHBondContact O-N 2.8Å; K184-S187 PolarHBondContact O-OG 3.41Å; K184-D188 PolarHBondContact O-N 3.12Å
185	V	74.6	Confident	72	Confident	97 Å²	97	81.7 Å²	81.7	59%	0.588	49%	0.493	S	S	*	.	H	α-helix	trans	-69.3	-39.6	177.9	175.6	0	0	0	0	111.2	A181 Y182 D188 A189	A181-V185 WeakPolarHBondContact O-CG2 3.18Å; A181-V185 PolarHBondContact O-N 3.43Å; Y182-V185 PolarHBondContact O-N 2.8Å; V185-D188 PolarHBondContact O-N 2.67Å; V185-A189 WeakPolarHBondContact O-CB 3.31Å; V185-A189 PolarHBondContact O-N 3.27Å
186	V	69.3	Low	71	Confident	70 Å²	70	84.4 Å²	84.4	42%	0.424	51%	0.512	S	S	.	.	H	α-helix	trans	-69.1	-36	179.6	175.4	0	0	0	0	112.2	Y182 L183 D188	Y182-V186 HydrophobicContact CD1-CG2 3.74Å; Y182-V186 HydrophobicContact CE1-CG2 3.36Å; Y182-V186 PolarHBondContact O-N 3.23Å; L183-V186 PolarHBondContact O-N 3.21Å; V186-D188 VanDerWaalsContact C-N 3.28Å; V186-D188 PolarHBondContact O-N 3.35Å
187	S	61.9	Low	70.5	Confident	89 Å²	89	83.3 Å²	83.3	62%	0.622	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-31	176.7	52.6	0	0	0	0	113.3	L183 K184	L183-S187 PolarHBondContact O-N 3.21Å; L183-S187 VanDerWaalsContact O-N 3.09Å; L183-S187 PolarHBondContact O-OG 3.42Å; K184-S187 PolarHBondContact O-OG 3.41Å
188	D	60.4	Low	70	Confident	149 Å²	149	84 Å²	84	80%	0.797	51%	0.511	S	S	*	.	H	α-helix	trans	-89.6	-17.8	-176	-75	-10.6	0	0	0	113.6	K184 V185 V186	K184-D188 PolarHBondContact O-N 3.12Å; V185-D188 PolarHBondContact O-N 2.67Å; V186-D188 VanDerWaalsContact C-N 3.28Å; V186-D188 PolarHBondContact O-N 3.35Å
189	A	56	Low	69.7	Low	46 Å²	46	83.2 Å²	83.2	38%	0.38	51%	0.507	S	S	.	.			trans	-111.6	117.4	-175.7	0	0	0	0	0	112.4	V185 V191	V185-A189 WeakPolarHBondContact O-CB 3.31Å; V185-A189 PolarHBondContact O-N 3.27Å; A189-V191 HydrophobicContact CB-CB 4.13Å; A189-V191 HydrophobicContact CB-CG2 4.12Å; A189-V191 PolarHBondContact O-N 3.11Å
190	T	50.9	Low	69.6	Low	155 Å²	155	89.6 Å²	89.6	95%	0.951	53%	0.53	S	S	*	.			trans	-68.5	24.4	165.8	46.9	0	0	0	0	113.3
191	V	49.8	Very low	69.6	Low	108 Å²	108	90.6 Å²	90.6	66%	0.655	53%	0.534	S	S	*	.			trans	-108.1	120	-159.6	-178.1	0	0	0	0	110.5	A189	A189-V191 HydrophobicContact CB-CB 4.13Å; A189-V191 HydrophobicContact CB-CG2 4.12Å; A189-V191 PolarHBondContact O-N 3.11Å
192	G	49.4	Very low	69.8	Low	59 Å²	59	90.8 Å²	90.8	61%	0.608	52%	0.523	S	S	*	.	S	Bend	trans	-58.5	160.7	172.2	0	0	0	0	0	113.2
193	S	54.1	Low	70.2	Confident	124 Å²	124	92.7 Å²	92.7	87%	0.867	54%	0.536	S	S	*	.			trans	67.6	25.9	177	83.7	0	0	0	0	117.6	D195	S193-D195 PolarHBondContact O-N 3.45Å; S193-D195 VanDerWaalsContact O-N 3.15Å
194	A	55.4	Low	70.8	Confident	52 Å²	52	94.2 Å²	94.2	43%	0.43	54%	0.542	S	S	.	.			trans	-51.5	124.2	165.1	0	0	0	0	0	109.3	Y182 S196	Y182-A194 VanDerWaalsContact OH-CB 3.27Å; Y182-A194 WeakPolarHBondContact OH-CB 3.27Å; A194-S196 PolarHBondContact O-N 2.66Å
195	D	62.9	Low	71.4	Confident	94 Å²	94	90.4 Å²	90.4	50%	0.503	53%	0.526	S	S	.	.			trans	-62.3	95.6	-167.9	-172.5	0.6	0	0	0	110.8	S193 A197 Q198	S193-D195 PolarHBondContact O-N 3.45Å; S193-D195 VanDerWaalsContact O-N 3.15Å; D195-A197 PolarHBondContact O-N 3.26Å; D195-A197 VanDerWaalsContact O-N 3.08Å; D195-A197 WeakPolarHBondContact OD1-CB 3.46Å; D195-A197 PolarHBondContact OD1-N 3.2Å; D195-A197 VanDerWaalsContact OD1-N 3.15Å; D195-Q198 PolarHBondContact O-N 2.97Å
196	S	69.7	Low	72.2	Confident	62 Å²	62	87 Å²	87	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-18.4	-176	65.9	0	0	0	0	112.2	A194 R200	A194-S196 PolarHBondContact O-N 2.66Å; S196-R200 VanDerWaalsContact C-CZ 3.42Å; S196-R200 VanDerWaalsContact C-NH2 3.31Å; S196-R200 VanDerWaalsContact CB-NH1 3.25Å; S196-R200 WeakPolarHBondContact O-CB 3.33Å; S196-R200 WeakPolarHBondContact O-CG 3.42Å; S196-R200 PolarHBondContact O-N 2.77Å; S196-R200 PolarHBondContact O-NE 2.86Å; S196-R200 PolarHBondContact O-NH1 2.82Å; S196-R200 PolarHBondContact O-NH2 2.82Å; S196-R200 PolarHBondContact OG-NH1 3.14Å; S196-R200 PolarHBondContact OG-NH2 3.28Å
197	A	82.7	Confident	73.4	Confident	48 Å²	48	88.2 Å²	88.2	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-73.9	-45.1	179.3	0	0	0	0	0	112.5	D195 R200 Q201	D195-A197 PolarHBondContact O-N 3.26Å; D195-A197 VanDerWaalsContact O-N 3.08Å; D195-A197 WeakPolarHBondContact OD1-CB 3.46Å; D195-A197 PolarHBondContact OD1-N 3.2Å; D195-A197 VanDerWaalsContact OD1-N 3.15Å; A197-R200 WeakPolarHBondContact O-CB 3.48Å; A197-R200 PolarHBondContact O-N 2.78Å; A197-Q201 PolarHBondContact O-N 2.82Å
198	Q	83.1	Confident	74.8	Confident	90 Å²	90	87 Å²	87	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-69.3	-41.1	-176.2	-169	156.5	29.5	0	0	112.4	D195 R200 Q201 W202	D195-Q198 PolarHBondContact O-N 2.97Å; Q198-R200 VanDerWaalsContact C-N 3.34Å; Q198-R200 PolarHBondContact O-N 3.34Å; Q198-Q201 WeakPolarHBondContact O-CB 3.39Å; Q198-Q201 PolarHBondContact O-N 3.29Å; Q198-W202 HydrophobicContact CG-CD2 4.22Å; Q198-W202 HydrophobicContact CG-CE3 4.35Å; Q198-W202 HydrophobicContact CG-CH2 3.85Å; Q198-W202 HydrophobicContact CG-CZ2 3.7Å; Q198-W202 HydrophobicContact CG-CZ3 4.15Å; Q198-W202 PolarHBondContact O-N 3.24Å
199	L	83.7	Confident	76.3	Confident	38 Å²	38	80 Å²	80	20%	0.199	46%	0.455	C	S	.	.	H	α-helix	trans	-60.4	-44.6	172.3	175.9	63.8	0	0	0	111.3	Y182 Q201 W202 L203	Y182-L199 HydrophobicContact CD1-CB 4.1Å; Y182-L199 HydrophobicContact CD1-CD1 3.7Å; Y182-L199 HydrophobicContact CD1-CD2 3.86Å; Y182-L199 HydrophobicContact CD1-CG 4.07Å; Y182-L199 HydrophobicContact CE1-CB 3.78Å; Y182-L199 HydrophobicContact CE1-CD1 4.15Å; Y182-L199 HydrophobicContact CE1-CD2 3.51Å; Y182-L199 HydrophobicContact CE1-CG 3.99Å; Y182-L199 HydrophobicContact CE2-CB 4.35Å; Y182-L199 HydrophobicContact CG-CD1 4.18Å; L199-Q201 PolarHBondContact O-N 2.89Å; L199-W202 PolarHBondContact O-N 3.1Å; L199-L203 HydrophobicContact CD1-CD1 4.11Å; L199-L203 HydrophobicContact CD1-CG 4.01Å; L199-L203 HydrophobicContact CD2-CD1 4.34Å; L199-L203 HydrophobicContact CG-CD1 3.89Å; L199-L203 HydrophobicContact CG-CG 4.25Å; L199-L203 WeakPolarHBondContact O-CB 3.12Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 3.02Å
200	R	86.7	Confident	77.9	Confident	148 Å²	148	83 Å²	83	56%	0.558	46%	0.464	S	S	*	.	H	α-helix	trans	-56.9	-40.8	176.4	-82.4	-173.2	-64.1	-97.3	-2.2	111.5	S196 A197 Q198 M204	S196-R200 VanDerWaalsContact C-CZ 3.42Å; S196-R200 VanDerWaalsContact C-NH2 3.31Å; S196-R200 VanDerWaalsContact CB-NH1 3.25Å; S196-R200 WeakPolarHBondContact O-CB 3.33Å; S196-R200 WeakPolarHBondContact O-CG 3.42Å; S196-R200 PolarHBondContact O-N 2.77Å; S196-R200 PolarHBondContact O-NE 2.86Å; S196-R200 PolarHBondContact O-NH1 2.82Å; S196-R200 PolarHBondContact O-NH2 2.82Å; S196-R200 PolarHBondContact OG-NH1 3.14Å; S196-R200 PolarHBondContact OG-NH2 3.28Å; A197-R200 WeakPolarHBondContact O-CB 3.48Å; A197-R200 PolarHBondContact O-N 2.78Å; Q198-R200 VanDerWaalsContact C-N 3.34Å; Q198-R200 PolarHBondContact O-N 3.34Å; R200-M204 VanDerWaalsContact O-CB 3.3Å; R200-M204 WeakPolarHBondContact O-CB 3.31Å; R200-M204 PolarHBondContact O-N 3.37Å
201	Q	88.6	Confident	79.7	Confident	132 Å²	132	82.7 Å²	82.7	62%	0.617	45%	0.449	S	S	*	.	H	α-helix	trans	-64.8	-43.9	177.3	-171	178.7	6.6	0	0	112.3	A197 Q198 L199 M204 E205	A197-Q201 PolarHBondContact O-N 2.82Å; Q198-Q201 WeakPolarHBondContact O-CB 3.39Å; Q198-Q201 PolarHBondContact O-N 3.29Å; L199-Q201 PolarHBondContact O-N 2.89Å; Q201-M204 PolarHBondContact O-N 2.92Å; Q201-E205 PolarHBondContact O-N 3.18Å
202	W	88.3	Confident	81.5	Confident	58 Å²	58	81 Å²	81	22%	0.22	44%	0.441	C	S	.	.	H	α-helix	trans	-66.8	-40.3	177.5	-68.1	-31.9	0	0	0	113	N178 V179 Y182 Q198 L199 M204 E205 L206	N178-W202 HydrophobicContact CB-CD2 3.76Å; N178-W202 HydrophobicContact CB-CE3 4.31Å; N178-W202 HydrophobicContact CB-CG 3.85Å; N178-W202 HydrophobicContact CB-CZ2 4.34Å; V179-W202 HydrophobicContact CG2-CB 3.81Å; Y182-W202 AromaticContact CD2-CZ3 3.74Å; Y182-W202 HydrophobicContact CD2-CZ3 3.74Å; Y182-W202 HydrophobicContact CG-CZ3 4.08Å; Q198-W202 HydrophobicContact CG-CD2 4.22Å; Q198-W202 HydrophobicContact CG-CE3 4.35Å; Q198-W202 HydrophobicContact CG-CH2 3.85Å; Q198-W202 HydrophobicContact CG-CZ2 3.7Å; Q198-W202 HydrophobicContact CG-CZ3 4.15Å; Q198-W202 PolarHBondContact O-N 3.24Å; L199-W202 PolarHBondContact O-N 3.1Å; W202-M204 VanDerWaalsContact C-N 3.3Å; W202-M204 PolarHBondContact O-N 2.85Å; W202-E205 PolarHBondContact O-N 3.28Å; W202-L206 WeakPolarHBondContact O-CB 3.35Å; W202-L206 PolarHBondContact O-N 3.04Å
203	L	89.6	Confident	83.2	Confident	79 Å²	79	81.3 Å²	81.3	41%	0.414	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-41.9	173.3	-71.9	173.3	0	0	0	111.1	V179 L199 L206 E207	V179-L203 HydrophobicContact CG1-CD2 4.05Å; V179-L203 HydrophobicContact CG2-CD2 4.24Å; L199-L203 HydrophobicContact CD1-CD1 4.11Å; L199-L203 HydrophobicContact CD1-CG 4.01Å; L199-L203 HydrophobicContact CD2-CD1 4.34Å; L199-L203 HydrophobicContact CG-CD1 3.89Å; L199-L203 HydrophobicContact CG-CG 4.25Å; L199-L203 WeakPolarHBondContact O-CB 3.12Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 3.02Å; L203-L206 PolarHBondContact O-N 3.49Å; L203-E207 VanDerWaalsContact O-CB 3.25Å; L203-E207 WeakPolarHBondContact O-CB 3.4Å; L203-E207 PolarHBondContact O-N 3.26Å
204	M	92	Very high	84.6	Confident	135 Å²	135	76.5 Å²	76.5	67%	0.665	39%	0.392	S	S	*	.	H	α-helix	trans	-64.8	-39.4	177.1	-169.2	172.5	-175.9	0	0	112.2	R200 Q201 W202 N208	R200-M204 VanDerWaalsContact O-CB 3.3Å; R200-M204 WeakPolarHBondContact O-CB 3.31Å; R200-M204 PolarHBondContact O-N 3.37Å; Q201-M204 PolarHBondContact O-N 2.92Å; W202-M204 VanDerWaalsContact C-N 3.3Å; W202-M204 PolarHBondContact O-N 2.85Å; M204-N208 VanDerWaalsContact O-CB 3.24Å; M204-N208 WeakPolarHBondContact O-CB 3.2Å; M204-N208 PolarHBondContact O-N 3.12Å
205	E	90.6	Very high	85.9	Confident	65 Å²	65	80.5 Å²	80.5	30%	0.304	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-40.7	175.6	-179.9	59.2	-166.9	0	0	112.2	R171 A175 Q201 W202 N208 C209	R171-E205 IonicContact CZ-OE1 2.61Å; R171-E205 IonicContact NE-OE1 3.39Å; R171-E205 PolarHBondContact NE-OE1 2.86Å; R171-E205 IonicContact NH2-OE1 3.34Å; R171-E205 PolarHBondContact NH2-OE1 2.88Å; R171-E205 IonicContact NH2-OE2 2.6Å; R171-E205 PolarHBondContact NH2-OE2 3.15Å; A175-E205 HydrophobicContact CB-CG 4.41Å; Q201-E205 PolarHBondContact O-N 3.18Å; W202-E205 PolarHBondContact O-N 3.28Å; E205-N208 WeakPolarHBondContact O-CB 3.38Å; E205-N208 PolarHBondContact O-N 2.88Å; E205-C209 PolarHBondContact O-N 3.05Å; E205-C209 PolarHBondContact O-SG 3.23Å
206	L	91.5	Very high	86.7	Confident	25 Å²	25	82.4 Å²	82.4	13%	0.131	41%	0.41	C	S	.	.	H	α-helix	trans	-63.6	-46.1	174.5	-180	61.4	0	0	0	111.2	A175 L176 V179 W202 L203 N208 C209 I210	A175-L206 HydrophobicContact CB-CB 4.14Å; A175-L206 HydrophobicContact CB-CD1 4.11Å; L176-L206 HydrophobicContact CD2-CD1 3.93Å; L176-L206 HydrophobicContact CD2-CD2 3.95Å; L176-L206 HydrophobicContact CG-CD1 3.91Å; V179-L206 HydrophobicContact CG2-CD2 4.39Å; W202-L206 WeakPolarHBondContact O-CB 3.35Å; W202-L206 PolarHBondContact O-N 3.04Å; L203-L206 PolarHBondContact O-N 3.49Å; L206-N208 VanDerWaalsContact C-N 3.29Å; L206-N208 PolarHBondContact O-N 3.41Å; L206-C209 PolarHBondContact O-N 2.59Å; L206-I210 HydrophobicContact CD1-CD1 4.31Å; L206-I210 HydrophobicContact CG-CD1 4.09Å; L206-I210 WeakPolarHBondContact O-CG1 3.23Å; L206-I210 PolarHBondContact O-N 3.15Å
207	E	93.1	Very high	87.2	Confident	97 Å²	97	82.6 Å²	82.6	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-41.3	175.3	-173.7	-179.3	-174.3	0	0	111.1	L203 I210 K211	L203-E207 VanDerWaalsContact O-CB 3.25Å; L203-E207 WeakPolarHBondContact O-CB 3.4Å; L203-E207 PolarHBondContact O-N 3.26Å; E207-I210 PolarHBondContact O-N 3.19Å; E207-K211 HydrophobicContact CG-CD 4.09Å; E207-K211 WeakPolarHBondContact O-CB 3.34Å; E207-K211 VanDerWaalsContact O-CG 3.31Å; E207-K211 WeakPolarHBondContact O-CG 3.2Å; E207-K211 PolarHBondContact O-N 2.98Å; E207-K211 WeakPolarHBondContact OE1-CE 3.29Å; E207-K211 IonicContact OE1-NZ 3.13Å; E207-K211 PolarHBondContact OE1-NZ 3.09Å
208	N	92.7	Very high	87.2	Confident	64 Å²	64	83.8 Å²	83.8	34%	0.342	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-43.7	175.7	-171.8	25.8	0	0	0	111.9	R171 M204 E205 L206 I210 K211 C212	R171-N208 PolarHBondContact NH2-ND2 3.3Å; M204-N208 VanDerWaalsContact O-CB 3.24Å; M204-N208 WeakPolarHBondContact O-CB 3.2Å; M204-N208 PolarHBondContact O-N 3.12Å; E205-N208 WeakPolarHBondContact O-CB 3.38Å; E205-N208 PolarHBondContact O-N 2.88Å; L206-N208 VanDerWaalsContact C-N 3.29Å; L206-N208 PolarHBondContact O-N 3.41Å; N208-I210 PolarHBondContact O-N 2.8Å; N208-K211 PolarHBondContact O-N 2.83Å; N208-C212 VanDerWaalsContact O-CB 3.27Å; N208-C212 WeakPolarHBondContact O-CB 3.29Å; N208-C212 PolarHBondContact O-N 3.4Å; N208-C212 PolarHBondContact O-SG 3.03Å; N208-C212 PolarHBondContact OD1-SG 3.46Å
209	C	90.8	Very high	87.2	Confident	2 Å²	2	84 Å²	84	1%	0.014	41%	0.412	C	S	.	.	H	α-helix	trans	-60.4	-45.5	175.6	-66.2	0	0	0	0	111.6	Y168 I172 E205 L206 C212 F213	Y168-C209 WeakPolarHBondContact CE2-O 3.45Å; Y168-C209 PolarHBondContact OH-O 2.82Å; I172-C209 HydrophobicContact CD1-CB 4.03Å; I172-C209 HydrophobicContact CG1-CB 3.47Å; I172-C209 VanDerWaalsContact CG1-CB 3.47Å; E205-C209 PolarHBondContact O-N 3.05Å; E205-C209 PolarHBondContact O-SG 3.23Å; L206-C209 PolarHBondContact O-N 2.59Å; C209-C212 CarbonylContact O-C 3.48Å; C209-C212 PolarHBondContact O-N 2.88Å; C209-F213 PolarHBondContact O-N 3.14Å
210	I	89.9	Confident	87	Confident	109 Å²	109	88 Å²	88	56%	0.559	43%	0.429	S	S	*	.	H	α-helix	trans	-63	-44.3	178.9	-66.3	165.8	0	0	0	110.9	L206 E207 N208 C212	L206-I210 HydrophobicContact CD1-CD1 4.31Å; L206-I210 HydrophobicContact CG-CD1 4.09Å; L206-I210 WeakPolarHBondContact O-CG1 3.23Å; L206-I210 PolarHBondContact O-N 3.15Å; E207-I210 PolarHBondContact O-N 3.19Å; N208-I210 PolarHBondContact O-N 2.8Å; I210-C212 VanDerWaalsContact C-N 3.29Å; I210-C212 PolarHBondContact O-N 2.91Å
211	K	89.2	Confident	86.9	Confident	148 Å²	148	84.1 Å²	84.1	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-67.6	-28.9	179.1	-74.2	178.5	-178.2	173.4	0	112.9	E207 N208	E207-K211 HydrophobicContact CG-CD 4.09Å; E207-K211 WeakPolarHBondContact O-CB 3.34Å; E207-K211 VanDerWaalsContact O-CG 3.31Å; E207-K211 WeakPolarHBondContact O-CG 3.2Å; E207-K211 PolarHBondContact O-N 2.98Å; E207-K211 WeakPolarHBondContact OE1-CE 3.29Å; E207-K211 IonicContact OE1-NZ 3.13Å; E207-K211 PolarHBondContact OE1-NZ 3.09Å; N208-K211 PolarHBondContact O-N 2.83Å
212	C	86.9	Confident	86.6	Confident	73 Å²	73	82.4 Å²	82.4	49%	0.493	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	38.2	-177.6	-58.5	0	0	0	0	112.7	N208 C209 I210	N208-C212 VanDerWaalsContact O-CB 3.27Å; N208-C212 WeakPolarHBondContact O-CB 3.29Å; N208-C212 PolarHBondContact O-N 3.4Å; N208-C212 PolarHBondContact O-SG 3.03Å; N208-C212 PolarHBondContact OD1-SG 3.46Å; C209-C212 CarbonylContact O-C 3.48Å; C209-C212 PolarHBondContact O-N 2.88Å; I210-C212 VanDerWaalsContact C-N 3.29Å; I210-C212 PolarHBondContact O-N 2.91Å
213	F	86.5	Confident	86.5	Confident	64 Å²	64	87 Å²	87	28%	0.281	44%	0.442	S	S	.	.			trans	-56.1	128.8	173.2	179.9	-86.5	0	0	0	110	Y168 C209 F215 L218	Y168-F213 HydrophobicContact CD1-CD2 4.46Å; Y168-F213 HydrophobicContact CD1-CE2 4.47Å; Y168-F213 AromaticContact CE1-CD2 3.47Å; Y168-F213 HydrophobicContact CE1-CD2 3.47Å; Y168-F213 VanDerWaalsContact CE1-CD2 3.47Å; Y168-F213 AromaticContact CE1-CE2 3.74Å; Y168-F213 HydrophobicContact CE1-CE2 3.74Å; Y168-F213 HydrophobicContact CE1-CG 4.47Å; Y168-F213 AromaticContact CZ-CD2 3.55Å; Y168-F213 VanDerWaalsContact OH-CD2 3.27Å; Y168-F213 WeakPolarHBondContact OH-CD2 3.43Å; C209-F213 PolarHBondContact O-N 3.14Å; F213-F215 VanDerWaalsContact C-N 3.28Å; F213-F215 HydrophobicContact CB-CD2 4.35Å; F213-F215 HydrophobicContact CB-CE2 3.9Å; F213-F215 HydrophobicContact CB-CZ 4.22Å; F213-F215 HydrophobicContact CD1-CB 4.36Å; F213-F215 AromaticContact CD1-CD1 3.58Å; F213-F215 HydrophobicContact CD1-CD1 3.58Å; F213-F215 AromaticContact CD1-CD2 3.76Å; F213-F215 HydrophobicContact CD1-CD2 3.76Å; F213-F215 AromaticContact CD1-CE1 3.63Å; F213-F215 HydrophobicContact CD1-CE1 3.63Å; F213-F215 AromaticContact CD1-CE2 3.81Å; F213-F215 HydrophobicContact CD1-CE2 3.81Å; F213-F215 AromaticContact CD1-CG 3.64Å; F213-F215 HydrophobicContact CD1-CG 3.64Å; F213-F215 AromaticContact CD1-CZ 3.74Å; F213-F215 HydrophobicContact CD1-CZ 3.74Å; F213-F215 AromaticContact CE1-CD1 3.8Å; F213-F215 HydrophobicContact CE1-CD1 3.8Å; F213-F215 HydrophobicContact CE1-CE1 4.03Å; F213-F215 HydrophobicContact CE1-CG 4.15Å; F213-F215 HydrophobicContact CG-CE2 4.28Å; F213-F215 HydrophobicContact CG-CZ 4.27Å; F213-F215 VanDerWaalsContact O-CD2 3.23Å; F213-F215 WeakPolarHBondContact O-CD2 3.33Å; F213-F215 PolarHBondContact O-N 2.82Å; F213-L218 HydrophobicContact CE1-CD1 4.43Å; F213-L218 HydrophobicContact CE1-CD2 4.32Å; F213-L218 HydrophobicContact CE1-CG 4.29Å; F213-L218 HydrophobicContact CZ-CD2 4.15Å
214	P	83.7	Confident	86.3	Confident	24 Å²	24	85.9 Å²	85.9	16%	0.156	44%	0.443	C	S	.	.			trans	-79.7	69.7	-173.5	33.5	-37.9	0	0	0	111.6	L165 Y168 D216 F217	L165-P214 HydrophobicContact CD2-CG 4.21Å; Y168-P214 HydrophobicContact CD1-CG 4.05Å; Y168-P214 VanDerWaalsContact CD2-CD 3.48Å; Y168-P214 HydrophobicContact CD2-CG 4.01Å; Y168-P214 HydrophobicContact CG-CG 3.72Å; P214-D216 PolarHBondContact O-N 2.81Å; P214-D216 VanDerWaalsContact O-N 3.16Å; P214-F217 HydrophobicContact CB-CB 4.4Å; P214-F217 HydrophobicContact CB-CD2 3.66Å; P214-F217 HydrophobicContact CB-CE2 4.41Å; P214-F217 HydrophobicContact CB-CG 4.43Å; P214-F217 PolarHBondContact O-N 2.88Å
215	F	81.3	Confident	86	Confident	136 Å²	136	83.4 Å²	83.4	60%	0.596	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-54	-35.8	-177.5	-72.1	-78.8	0	0	0	113.4	F213 F217 L218	F213-F215 VanDerWaalsContact C-N 3.28Å; F213-F215 HydrophobicContact CB-CD2 4.35Å; F213-F215 HydrophobicContact CB-CE2 3.9Å; F213-F215 HydrophobicContact CB-CZ 4.22Å; F213-F215 HydrophobicContact CD1-CB 4.36Å; F213-F215 AromaticContact CD1-CD1 3.58Å; F213-F215 HydrophobicContact CD1-CD1 3.58Å; F213-F215 AromaticContact CD1-CD2 3.76Å; F213-F215 HydrophobicContact CD1-CD2 3.76Å; F213-F215 AromaticContact CD1-CE1 3.63Å; F213-F215 HydrophobicContact CD1-CE1 3.63Å; F213-F215 AromaticContact CD1-CE2 3.81Å; F213-F215 HydrophobicContact CD1-CE2 3.81Å; F213-F215 AromaticContact CD1-CG 3.64Å; F213-F215 HydrophobicContact CD1-CG 3.64Å; F213-F215 AromaticContact CD1-CZ 3.74Å; F213-F215 HydrophobicContact CD1-CZ 3.74Å; F213-F215 AromaticContact CE1-CD1 3.8Å; F213-F215 HydrophobicContact CE1-CD1 3.8Å; F213-F215 HydrophobicContact CE1-CE1 4.03Å; F213-F215 HydrophobicContact CE1-CG 4.15Å; F213-F215 HydrophobicContact CG-CE2 4.28Å; F213-F215 HydrophobicContact CG-CZ 4.27Å; F213-F215 VanDerWaalsContact O-CD2 3.23Å; F213-F215 WeakPolarHBondContact O-CD2 3.33Å; F213-F215 PolarHBondContact O-N 2.82Å; F215-F217 PolarHBondContact O-N 3.25Å; F215-F217 VanDerWaalsContact O-N 3.1Å; F215-L218 HydrophobicContact CD1-CD1 4.44Å; F215-L218 PolarHBondContact O-N 3.5Å
216	D	80.3	Confident	85.8	Confident	133 Å²	133	86.1 Å²	86.1	71%	0.711	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-65.5	-13.3	-179.8	-56.5	-31.6	0	0	0	113.6	P214	P214-D216 PolarHBondContact O-N 2.81Å; P214-D216 VanDerWaalsContact O-N 3.16Å
217	F	80.6	Confident	85.5	Confident	67 Å²	67	90.5 Å²	90.5	29%	0.294	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-107	8.1	-177.8	-60.6	-85.6	0	0	0	113.6	Q161 R164 L165 P214 F215	Q161-F217 WeakPolarHBondContact CB-O 3.41Å; R164-F217 HydrophobicContact CB-CB 4.16Å; R164-F217 HydrophobicContact CB-CD1 3.54Å; R164-F217 HydrophobicContact CB-CD2 4.47Å; R164-F217 HydrophobicContact CB-CE1 4.01Å; R164-F217 HydrophobicContact CB-CG 3.79Å; R164-F217 HydrophobicContact CG-CD1 3.59Å; R164-F217 HydrophobicContact CG-CE1 3.54Å; R164-F217 HydrophobicContact CG-CG 4.27Å; R164-F217 HydrophobicContact CG-CZ 4.14Å; L165-F217 VanDerWaalsContact CD1-O 3.31Å; L165-F217 WeakPolarHBondContact CD1-O 3.3Å; L165-F217 HydrophobicContact CD2-CB 4.42Å; L165-F217 HydrophobicContact CG-CB 4.4Å; P214-F217 HydrophobicContact CB-CB 4.4Å; P214-F217 HydrophobicContact CB-CD2 3.66Å; P214-F217 HydrophobicContact CB-CE2 4.41Å; P214-F217 HydrophobicContact CB-CG 4.43Å; P214-F217 PolarHBondContact O-N 2.88Å; F215-F217 PolarHBondContact O-N 3.25Å; F215-F217 VanDerWaalsContact O-N 3.1Å
218	L	83	Confident	84.9	Confident	73 Å²	73	91.5 Å²	91.5	38%	0.382	48%	0.484	S	S	.	.	S	Bend	trans	-59.1	150.4	162.5	-71.5	170.3	0	0	0	109.7	Q161 F213 F215 Q220	Q161-L218 PolarHBondContact NE2-O 2.75Å; Q161-L218 VanDerWaalsContact NE2-O 3.07Å; F213-L218 HydrophobicContact CE1-CD1 4.43Å; F213-L218 HydrophobicContact CE1-CD2 4.32Å; F213-L218 HydrophobicContact CE1-CG 4.29Å; F213-L218 HydrophobicContact CZ-CD2 4.15Å; F215-L218 HydrophobicContact CD1-CD1 4.44Å; F215-L218 PolarHBondContact O-N 3.5Å; L218-Q220 WeakPolarHBondContact O-CG 3.46Å; L218-Q220 PolarHBondContact O-N 2.78Å; L218-Q220 PolarHBondContact O-NE2 3.04Å
219	P	82.2	Confident	84.1	Confident	94 Å²	94	92.5 Å²	92.5	61%	0.61	50%	0.495	S	S	*	.			trans	-53.2	106.6	176.5	-24.7	34	0	0	0	110.4	L158	L158-P219 HydrophobicContact CD2-CB 4.4Å
220	Q	79.4	Confident	83.1	Confident	123 Å²	123	95 Å²	95	58%	0.575	51%	0.511	S	S	*	.			trans	-94.2	-30	-179.2	-63.6	-55.8	-45.7	0	0	111.1	Q161 L218	Q161-Q220 VanDerWaalsContact NE2-CG 3.26Å; L218-Q220 WeakPolarHBondContact O-CG 3.46Å; L218-Q220 PolarHBondContact O-N 2.78Å; L218-Q220 PolarHBondContact O-NE2 3.04Å
221	E	84.6	Confident	82.3	Confident	65 Å²	65	97.7 Å²	97.7	30%	0.304	52%	0.519	S	S	.	.			trans	-82.2	145.3	177.4	-66.6	-62.7	152.2	0	0	111.2	K154 I157 L158	K154-E221 VanDerWaalsContact CE-OE2 3.27Å; K154-E221 WeakPolarHBondContact CE-OE2 3.22Å; K154-E221 HydrophobicContact CG-CG 4.46Å; I157-E221 HydrophobicContact CB-CG 4.02Å; I157-E221 HydrophobicContact CD1-CG 4.13Å; I157-E221 WeakPolarHBondContact CD1-OE1 3.32Å; I157-E221 HydrophobicContact CG2-CG 3.8Å; L158-E221 HydrophobicContact CD1-CB 4.39Å; L158-E221 HydrophobicContact CD2-CB 4.02Å; L158-E221 HydrophobicContact CG-CB 4.02Å
222	D	83.5	Confident	81.4	Confident	97 Å²	97	95.5 Å²	95.5	52%	0.519	52%	0.522	S	S	.	.			trans	-111.7	179.7	174.9	64.6	15	0	0	0	111.8	K154 A224	K154-D222 PolarHBondContact NZ-O 2.9Å; K154-D222 IonicContact NZ-OD1 3.07Å; K154-D222 PolarHBondContact NZ-OD1 2.52Å; D222-A224 VanDerWaalsContact C-N 3.28Å; D222-A224 PolarHBondContact O-N 2.87Å; D222-A224 VanDerWaalsContact OD1-CB 3.26Å; D222-A224 WeakPolarHBondContact OD1-CB 3.45Å; D222-A224 PolarHBondContact OD1-N 2.84Å; D222-A224 VanDerWaalsContact OD1-N 3.1Å
223	D	85.5	Confident	80.8	Confident	155 Å²	155	95.5 Å²	95.5	83%	0.829	52%	0.52	S	S	*	.			trans	-86.4	7.6	176.9	68.9	-28.5	0	0	0	113.6	I225	D223-I225 PolarHBondContact O-N 3.16Å
224	A	84.7	Confident	80.4	Confident	54 Å²	54	96.5 Å²	96.5	45%	0.446	53%	0.528	S	S	.	.			trans	-67.9	102.2	-174.7	0	0	0	0	0	111.4	K154 D222	K154-A224 PolarHBondContact NZ-O 3.47Å; D222-A224 VanDerWaalsContact C-N 3.28Å; D222-A224 PolarHBondContact O-N 2.87Å; D222-A224 VanDerWaalsContact OD1-CB 3.26Å; D222-A224 WeakPolarHBondContact OD1-CB 3.45Å; D222-A224 PolarHBondContact OD1-N 2.84Å; D222-A224 VanDerWaalsContact OD1-N 3.1Å
225	I	86.7	Confident	79.8	Confident	83 Å²	83	100.8 Å²	100.8	43%	0.426	55%	0.549	S	S	.	.			trans	-137.5	104.3	169	-55.3	178.6	0	0	0	106.9	I150 D223	I150-I225 HydrophobicContact CG2-CD1 4.04Å; I150-I225 HydrophobicContact CG2-CG1 4.18Å; D223-I225 PolarHBondContact O-N 3.16Å
226	V	86.1	Confident	79.3	Confident	123 Å²	123	96.4 Å²	96.4	75%	0.745	54%	0.535	S	S	*	.			trans	-114.3	120.8	-173.7	-178	0	0	0	0	110.5	V228	V226-V228 HydrophobicContact CG1-CG2 4.42Å; V226-V228 PolarHBondContact O-N 2.94Å
227	F	85.9	Confident	79.2	Confident	116 Å²	116	93.8 Å²	93.8	51%	0.509	52%	0.524	S	S	.	.			trans	-82.9	107.8	167.7	177.7	-110.4	0	0	0	109.8	W143 S229	W143-F227 AromaticContact CD2-CE2 3.94Å; W143-F227 HydrophobicContact CD2-CE2 3.94Å; W143-F227 HydrophobicContact CE3-CE2 4.03Å; W143-F227 HydrophobicContact CE3-CZ 4.31Å; W143-F227 HydrophobicContact CG-CE2 4.45Å; W143-F227 HydrophobicContact CH2-CE2 4.34Å; W143-F227 HydrophobicContact CH2-CZ 4.28Å; W143-F227 HydrophobicContact CZ2-CE2 4.23Å; W143-F227 HydrophobicContact CZ3-CE2 4.23Å; W143-F227 HydrophobicContact CZ3-CZ 4.14Å; F227-S229 PolarHBondContact O-N 2.83Å
228	V	80.4	Confident	78.9	Confident	119 Å²	119	93.9 Å²	93.9	72%	0.721	53%	0.527	S	S	*	.			trans	-80.5	101.5	172	-176.3	0	0	0	0	108.2	V226	V226-V228 HydrophobicContact CG1-CG2 4.42Å; V226-V228 PolarHBondContact O-N 2.94Å
229	S	75.2	Confident	78.4	Confident	84 Å²	84	97.7 Å²	97.7	59%	0.587	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-57.7	135.5	175	-172.4	0	0	0	0	110.1	F227	F227-S229 PolarHBondContact O-N 2.83Å
230	P	70.2	Confident	77.8	Confident	54 Å²	54	100.3 Å²	100.3	35%	0.351	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-55.4	147.5	171.1	-17.5	27.9	0	0	0	110.6	W143 S232 I234	W143-P230 HydrophobicContact CH2-CG 4.16Å; P230-S232 PolarHBondContact O-N 2.99Å; P230-I234 HydrophobicContact CB-CD1 3.55Å; P230-I234 HydrophobicContact CB-CG1 4.24Å; P230-I234 HydrophobicContact CG-CD1 4.44Å
231	K	73.2	Confident	77.5	Confident	166 Å²	166	98.1 Å²	98.1	72%	0.722	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-51.9	144.6	176.4	-67.5	-178.6	179.6	-179.7	0	109.8	T233 I234	K231-T233 HydrophobicContact CB-CG2 4.39Å; K231-T233 WeakPolarHBondContact CB-OG1 3.09Å; K231-T233 PolarHBondContact O-N 3.18Å; K231-I234 PolarHBondContact O-N 2.84Å
232	S	70	Confident	76.6	Confident	102 Å²	102	98.5 Å²	98.5	71%	0.713	57%	0.565	S	S	*	*	H	α-helix	trans	-51.4	-20.3	174.5	54.5	0	0	0	0	113	P230 I234 L235 S236	P230-S232 PolarHBondContact O-N 2.99Å; S232-I234 VanDerWaalsContact C-N 3.27Å; S232-I234 PolarHBondContact O-N 2.78Å; S232-L235 WeakPolarHBondContact O-CB 3.46Å; S232-L235 PolarHBondContact O-N 2.8Å; S232-S236 PolarHBondContact O-N 3.04Å; S232-S236 PolarHBondContact O-OG 2.99Å
233	T	73.7	Confident	76	Confident	73 Å²	73	98 Å²	98	45%	0.448	57%	0.568	S	S	.	*	H	α-helix	trans	-54.9	-36.4	173.3	59.1	0	0	0	0	113.4	K231 S236 T237	K231-T233 HydrophobicContact CB-CG2 4.39Å; K231-T233 WeakPolarHBondContact CB-OG1 3.09Å; K231-T233 PolarHBondContact O-N 3.18Å; T233-S236 VanDerWaalsContact C-OG 3.29Å; T233-S236 WeakPolarHBondContact CA-OG 3.38Å; T233-S236 PolarHBondContact O-N 2.93Å; T233-S236 PolarHBondContact O-OG 3.42Å; T233-T237 WeakPolarHBondContact O-CB 3.24Å; T233-T237 PolarHBondContact O-N 2.91Å; T233-T237 PolarHBondContact O-OG1 2.84Å
234	I	78	Confident	75.4	Confident	86 Å²	86	96.4 Å²	96.4	44%	0.441	56%	0.559	S	S	.	*	H	α-helix	trans	-68.1	-41.8	179.3	-60.5	-170.7	0	0	0	110.6	P230 K231 S232 S236 T237 I238	P230-I234 HydrophobicContact CB-CD1 3.55Å; P230-I234 HydrophobicContact CB-CG1 4.24Å; P230-I234 HydrophobicContact CG-CD1 4.44Å; K231-I234 PolarHBondContact O-N 2.84Å; S232-I234 VanDerWaalsContact C-N 3.27Å; S232-I234 PolarHBondContact O-N 2.78Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 2.78Å; I234-T237 WeakPolarHBondContact O-CB 3.49Å; I234-T237 PolarHBondContact O-N 2.84Å; I234-T237 VanDerWaalsContact O-N 3.16Å; I234-I238 HydrophobicContact CG2-CD1 3.91Å; I234-I238 HydrophobicContact CG2-CG1 4.36Å; I234-I238 WeakPolarHBondContact O-CG1 3.13Å; I234-I238 PolarHBondContact O-N 2.81Å
235	L	71.1	Confident	74.6	Confident	114 Å²	114	101.9 Å²	101.9	60%	0.597	57%	0.568	S	S	*	*	H	α-helix	trans	-59.8	-47.5	174.9	-172.7	81.4	0	0	0	109.8	S232 T237 I238 M239	S232-L235 WeakPolarHBondContact O-CB 3.46Å; S232-L235 PolarHBondContact O-N 2.8Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 PolarHBondContact O-N 2.77Å; L235-I238 PolarHBondContact O-N 3.39Å; L235-M239 HydrophobicContact CD2-SD 4.28Å; L235-M239 HydrophobicContact CG-CG 4.49Å; L235-M239 HydrophobicContact CG-SD 4.13Å; L235-M239 WeakPolarHBondContact O-CB 3.49Å; L235-M239 VanDerWaalsContact O-CG 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.33Å; L235-M239 PolarHBondContact O-N 3.36Å
236	S	71.6	Confident	74	Confident	44 Å²	44	100.4 Å²	100.4	31%	0.308	56%	0.563	S	S	.	*	H	α-helix	trans	-62.1	-38.3	175.8	57.5	0	0	0	0	112	S232 T233 I234 M239 Q240	S232-S236 PolarHBondContact O-N 3.04Å; S232-S236 PolarHBondContact O-OG 2.99Å; T233-S236 VanDerWaalsContact C-OG 3.29Å; T233-S236 WeakPolarHBondContact CA-OG 3.38Å; T233-S236 PolarHBondContact O-N 2.93Å; T233-S236 PolarHBondContact O-OG 3.42Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 2.78Å; S236-M239 PolarHBondContact O-N 2.81Å; S236-Q240 WeakPolarHBondContact O-CB 3.49Å; S236-Q240 WeakPolarHBondContact O-CG 3.45Å; S236-Q240 PolarHBondContact O-N 2.89Å
237	T	77.4	Confident	73.6	Confident	77 Å²	77	98.8 Å²	98.8	47%	0.472	55%	0.55	S	S	.	*	H	α-helix	trans	-62.3	-44.3	175.9	-60.9	0	0	0	0	111	T233 I234 L235 Q240 T241	T233-T237 WeakPolarHBondContact O-CB 3.24Å; T233-T237 PolarHBondContact O-N 2.91Å; T233-T237 PolarHBondContact O-OG1 2.84Å; I234-T237 WeakPolarHBondContact O-CB 3.49Å; I234-T237 PolarHBondContact O-N 2.84Å; I234-T237 VanDerWaalsContact O-N 3.16Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 PolarHBondContact O-N 2.77Å; T237-Q240 CarbonylContact O-C 3.57Å; T237-Q240 PolarHBondContact O-N 3.05Å; T237-T241 WeakPolarHBondContact O-CG2 3.35Å; T237-T241 PolarHBondContact O-N 3.02Å; T237-T241 PolarHBondContact O-OG1 2.85Å; T237-T241 VanDerWaalsContact O-OG1 3.11Å
238	I	75.2	Confident	73.4	Confident	70 Å²	70	93.3 Å²	93.3	36%	0.359	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-43.7	176.6	-67.7	167.5	0	0	0	110.7	L136 I234 L235 Q240 T241	L136-I238 HydrophobicContact CD1-CD1 4.21Å; L136-I238 HydrophobicContact CD2-CD1 4.25Å; I234-I238 HydrophobicContact CG2-CD1 3.91Å; I234-I238 HydrophobicContact CG2-CG1 4.36Å; I234-I238 WeakPolarHBondContact O-CG1 3.13Å; I234-I238 PolarHBondContact O-N 2.81Å; L235-I238 PolarHBondContact O-N 3.39Å; I238-Q240 PolarHBondContact O-N 3.37Å; I238-T241 VanDerWaalsContact C-OG1 3.25Å; I238-T241 WeakPolarHBondContact CA-OG1 3.4Å; I238-T241 PolarHBondContact O-N 3.45Å; I238-T241 PolarHBondContact O-OG1 2.88Å
239	M	71.2	Confident	73.6	Confident	153 Å²	153	88.9 Å²	88.9	75%	0.754	50%	0.498	S	S	*	.	H	α-helix	trans	-67.8	-23.5	177.8	-68	-176.4	90.8	0	0	112.8	L235 S236	L235-M239 HydrophobicContact CD2-SD 4.28Å; L235-M239 HydrophobicContact CG-CG 4.49Å; L235-M239 HydrophobicContact CG-SD 4.13Å; L235-M239 WeakPolarHBondContact O-CB 3.49Å; L235-M239 VanDerWaalsContact O-CG 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.33Å; L235-M239 PolarHBondContact O-N 3.36Å; S236-M239 PolarHBondContact O-N 2.81Å
240	Q	70.8	Confident	73.8	Confident	148 Å²	148	85.5 Å²	85.5	69%	0.692	48%	0.475	S	S	*	.	H	α-helix	trans	-96.5	-8.5	177.1	-68.6	167.7	0.3	0	0	113	S236 T237 I238 G242	S236-Q240 WeakPolarHBondContact O-CB 3.49Å; S236-Q240 WeakPolarHBondContact O-CG 3.45Å; S236-Q240 PolarHBondContact O-N 2.89Å; T237-Q240 CarbonylContact O-C 3.57Å; T237-Q240 PolarHBondContact O-N 3.05Å; I238-Q240 PolarHBondContact O-N 3.37Å; Q240-G242 PolarHBondContact O-N 2.84Å
241	T	72.2	Confident	74.3	Confident	78 Å²	78	88.2 Å²	88.2	48%	0.479	49%	0.49	S	S	.	.	S	Bend	trans	-74.2	125.6	-178.7	24	0	0	0	0	111.9	T237 I238	T237-T241 WeakPolarHBondContact O-CG2 3.35Å; T237-T241 PolarHBondContact O-N 3.02Å; T237-T241 PolarHBondContact O-OG1 2.85Å; T237-T241 VanDerWaalsContact O-OG1 3.11Å; I238-T241 VanDerWaalsContact C-OG1 3.25Å; I238-T241 WeakPolarHBondContact CA-OG1 3.4Å; I238-T241 PolarHBondContact O-N 3.45Å; I238-T241 PolarHBondContact O-OG1 2.88Å
242	G	66.3	Low	74.9	Confident	73 Å²	73	83.1 Å²	83.1	75%	0.753	47%	0.471	S	S	*	.			trans	84.9	137.3	-177.2	0	0	0	0	0	111.4	Q240	Q240-G242 PolarHBondContact O-N 2.84Å
243	C	71.8	Confident	75.8	Confident	85 Å²	85	78.5 Å²	78.5	57%	0.574	44%	0.438	S	S	*	.			trans	-147.2	133	175.7	173.5	0	0	0	0	108.1
244	L	72.2	Confident	76.5	Confident	123 Å²	123	78.4 Å²	78.4	64%	0.644	43%	0.432	S	S	*	.			trans	-75.2	131.4	169.6	-73.6	175	0	0	0	108.8	I121 I125	I121-L244 HydrophobicContact CG2-CD2 3.57Å; I125-L244 HydrophobicContact CD1-CD2 4.05Å
245	R	67.2	Low	76.9	Confident	169 Å²	169	75.1 Å²	75.1	64%	0.638	42%	0.416	S	S	*	.			trans	-111.7	139.6	-175.5	-60	-179.6	-174.7	162.3	0.6	110.2
246	T	74.5	Confident	77.3	Confident	52 Å²	52	70.4 Å²	70.4	32%	0.319	39%	0.392	S	S	.	.			trans	-122.7	164.1	160.3	78.4	0	0	0	0	108.8	D283 H284 L289	T246-D283 WeakPolarHBondContact OG1-CB 3.24Å; T246-H284 PolarHBondContact OG1-ND1 3.1Å; T246-L289 WeakPolarHBondContact O-CD2 3.07Å
247	N	77.9	Confident	77.4	Confident	89 Å²	89	68.9 Å²	68.9	48%	0.476	38%	0.381	S	S	.	.			trans	-67.6	164.5	174.7	-71	68.7	0	0	0	111.9	N249	N247-N249 PolarHBondContact O-N 3.37Å
248	A	80.8	Confident	76.7	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.391	C	S	.	.			trans	-58	133.3	173.5	0	0	0	0	0	111.8	A281 L282 L289 D294 V338	A248-A281 HydrophobicContact CB-CB 3.73Å; A248-L282 CarbonylContact C-O 3.6Å; A248-L282 WeakPolarHBondContact CA-O 3.44Å; A248-L289 HydrophobicContact CB-CD1 3.82Å; A248-D294 HydrophobicContact CB-CB 4.18Å; A248-D294 VanDerWaalsContact CB-OD2 3.3Å; A248-D294 WeakPolarHBondContact CB-OD2 3.39Å; A248-D294 PolarHBondContact N-OD1 2.84Å; A248-D294 PolarHBondContact N-OD2 2.81Å; A248-V338 HydrophobicContact CB-CG1 3.54Å
249	N	85.3	Confident	76	Confident	26 Å²	26	72.2 Å²	72.2	14%	0.139	40%	0.397	C	S	.	.			trans	-94	114	166.9	-175.8	-47.9	0	0	0	108.8	N247 T251 N252 S253 L282 D283 H284	N247-N249 PolarHBondContact O-N 3.37Å; N249-T251 VanDerWaalsContact C-N 3.26Å; N249-T251 PolarHBondContact O-N 3.12Å; N249-T251 WeakPolarHBondContact OD1-CA 3.47Å; N249-T251 VanDerWaalsContact OD1-CB 3.29Å; N249-T251 WeakPolarHBondContact OD1-CB 3.41Å; N249-T251 PolarHBondContact OD1-N 2.87Å; N249-N252 HydrophobicContact CB-CB 4.26Å; N249-N252 PolarHBondContact O-N 2.96Å; N249-N252 PolarHBondContact OD1-N 3.09Å; N249-S253 WeakPolarHBondContact O-CB 3.11Å; N249-S253 PolarHBondContact O-N 3.46Å; N249-S253 PolarHBondContact O-OG 3.35Å; N249-L282 PolarHBondContact N-O 3.07Å; N249-D283 WeakPolarHBondContact CB-O 3.48Å; N249-H284 PolarHBondContact ND2-CD2 3.49Å
250	P	79.4	Confident	75.1	Confident	14 Å²	14	67.5 Å²	67.5	9%	0.091	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.4	-178.2	-24.9	35.4	0	0	0	114	V338 K341	P250-V338 HydrophobicContact CB-CB 4.06Å; P250-V338 HydrophobicContact CB-CG1 4.49Å; P250-V338 HydrophobicContact CG-CB 4Å; P250-V338 HydrophobicContact CG-CG1 3.98Å; P250-V338 WeakPolarHBondContact CG-O 3.17Å; P250-K341 HydrophobicContact CB-CB 3.74Å; P250-K341 HydrophobicContact CG-CB 3.83Å; P250-K341 HydrophobicContact CG-CD 4.27Å; P250-K341 HydrophobicContact CG-CG 4.47Å
251	T	81.3	Confident	74.3	Confident	111 Å²	111	68 Å²	68	68%	0.681	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-35.5	-178.4	-48.6	0	0	0	0	111.8	N249	N249-T251 VanDerWaalsContact C-N 3.26Å; N249-T251 PolarHBondContact O-N 3.12Å; N249-T251 WeakPolarHBondContact OD1-CA 3.47Å; N249-T251 VanDerWaalsContact OD1-CB 3.29Å; N249-T251 WeakPolarHBondContact OD1-CB 3.41Å; N249-T251 PolarHBondContact OD1-N 2.87Å
252	N	85	Confident	73.2	Confident	59 Å²	59	69.3 Å²	69.3	32%	0.316	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-26.4	178.7	-66.1	-11.7	0	0	0	112.4	N249 L282 D283 H284	N249-N252 HydrophobicContact CB-CB 4.26Å; N249-N252 PolarHBondContact O-N 2.96Å; N249-N252 PolarHBondContact OD1-N 3.09Å; N252-L282 HydrophobicContact CB-CB 3.98Å; N252-L282 HydrophobicContact CB-CD1 4.49Å; N252-L282 WeakPolarHBondContact O-CD1 3.23Å; N252-D283 PolarHBondContact ND2-O 2.94Å; N252-H284 PolarHBondContact ND2-O 3.01Å
253	S	88.5	Confident	72.3	Confident	4 Å²	4	72.1 Å²	72.1	3%	0.028	38%	0.377	C	S	.	.			trans	-62.8	157.5	179.6	-60.7	0	0	0	0	111.2	N249 H280 L282 I343	N249-S253 WeakPolarHBondContact O-CB 3.11Å; N249-S253 PolarHBondContact O-N 3.46Å; N249-S253 PolarHBondContact O-OG 3.35Å; S253-H280 WeakPolarHBondContact CA-O 3.45Å; S253-H280 WeakPolarHBondContact CB-O 3.4Å; S253-L282 PolarHBondContact OG-N 3.02Å; S253-L282 VanDerWaalsContact OG-N 3.08Å; S253-I343 VanDerWaalsContact C-CG2 3.49Å; S253-I343 WeakPolarHBondContact O-CG2 3.42Å
254	F	88	Confident	71	Confident	71 Å²	71	68.5 Å²	68.5	31%	0.311	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	168.3	178.9	64.7	-88	0	0	0	111.5	V256 H262 H280 L282	F254-V256 HydrophobicContact CD2-CG2 3.58Å; F254-V256 HydrophobicContact CE2-CG2 3.41Å; F254-V256 VanDerWaalsContact CE2-CG2 3.41Å; F254-H262 AromaticContact CD2-CE1 3.7Å; F254-H262 AromaticContact CD2-ND1 3.9Å; F254-H262 AromaticContact CE2-CE1 3.87Å; F254-H280 HydrophobicContact CD1-CB 4.32Å; F254-H280 HydrophobicContact CD2-CB 4.36Å; F254-H280 HydrophobicContact CE1-CB 3.88Å; F254-H280 HydrophobicContact CE2-CB 3.93Å; F254-H280 AromaticContact CE2-CD2 3.86Å; F254-H280 AromaticContact CE2-CG 3.97Å; F254-H280 HydrophobicContact CZ-CB 3.66Å; F254-H280 AromaticContact CZ-CG 3.91Å; F254-H280 PolarHBondContact N-O 3.36Å; F254-H280 VanDerWaalsContact N-O 3.15Å; F254-H280 PolarHBondContact O-N 2.95Å; F254-L282 HydrophobicContact CD1-CD1 3.93Å; F254-L282 HydrophobicContact CD1-CG 4.18Å; F254-L282 HydrophobicContact CE1-CD1 3.87Å; F254-L282 HydrophobicContact CE1-CD2 4.03Å; F254-L282 HydrophobicContact CE1-CG 4.09Å
255	V	86.3	Confident	69.6	Low	17 Å²	17	71.3 Å²	71.3	10%	0.103	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.1	179.6	-178.3	0	0	0	0	109.4	Y277 L279 F336 I343	V255-Y277 HydrophobicContact CG1-CD1 3.77Å; V255-Y277 HydrophobicContact CG1-CG 4.09Å; V255-L279 HydrophobicContact CG2-CB 4.01Å; V255-L279 HydrophobicContact CG2-CD1 3.96Å; V255-L279 HydrophobicContact CG2-CG 3.93Å; V255-F336 HydrophobicContact CB-CD2 4.29Å; V255-F336 HydrophobicContact CB-CE2 4.42Å; V255-F336 HydrophobicContact CG1-CD2 4.19Å; V255-F336 HydrophobicContact CG1-CE1 4.21Å; V255-F336 HydrophobicContact CG1-CE2 3.87Å; V255-F336 HydrophobicContact CG1-CZ 3.88Å; V255-F336 HydrophobicContact CG2-CB 3.92Å; V255-F336 HydrophobicContact CG2-CD1 4.09Å; V255-F336 HydrophobicContact CG2-CD2 3.84Å; V255-F336 HydrophobicContact CG2-CE2 4.37Å; V255-F336 HydrophobicContact CG2-CG 3.68Å; V255-I343 HydrophobicContact CG2-CD1 4.44Å
256	V	81.3	Confident	68.6	Low	15 Å²	15	65.3 Å²	65.3	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.3	174.6	-163.2	0	0	0	0	108.1	F254 G260 Y277 V278	F254-V256 HydrophobicContact CD2-CG2 3.58Å; F254-V256 HydrophobicContact CE2-CG2 3.41Å; F254-V256 VanDerWaalsContact CE2-CG2 3.41Å; V256-G260 WeakPolarHBondContact CG1-O 3.11Å; V256-Y277 WeakPolarHBondContact O-CA 3.48Å; V256-V278 PolarHBondContact N-O 2.8Å; V256-V278 PolarHBondContact O-N 3.07Å
257	S	72.6	Confident	67.4	Low	12 Å²	12	65.4 Å²	65.4	8%	0.084	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	160.2	166.7	61.2	0	0	0	0	110.7	S259 G260 R261 V264	S257-S259 PolarHBondContact O-N 3.37Å; S257-S259 VanDerWaalsContact O-N 3.07Å; S257-S259 PolarHBondContact OG-OG 3.34Å; S257-G260 PolarHBondContact O-N 3.28Å; S257-R261 PolarHBondContact N-O 3.3Å; S257-R261 PolarHBondContact OG-N 3.17Å; S257-R261 PolarHBondContact OG-O 3.01Å; S257-V264 VanDerWaalsContact OG-CG2 3.29Å; S257-V264 WeakPolarHBondContact OG-CG2 3.36Å
258	E	63.7	Low	66	Low	147 Å²	147	65.8 Å²	65.8	69%	0.687	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.4	173.1	-169.5	168.9	-162.5	0	0	113	G260 T276	E258-G260 PolarHBondContact O-N 3.35Å; E258-G260 VanDerWaalsContact O-N 3.13Å; E258-T276 PolarHBondContact N-O 2.98Å; E258-T276 WeakPolarHBondContact OE2-CB 3.32Å
259	S	59.1	Low	64.9	Low	70 Å²	70	67.2 Å²	67.2	49%	0.49	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	3.6	174.2	72.8	0	0	0	0	115.4	S257 R261	S257-S259 PolarHBondContact O-N 3.37Å; S257-S259 VanDerWaalsContact O-N 3.07Å; S257-S259 PolarHBondContact OG-OG 3.34Å; S259-R261 VanDerWaalsContact C-N 3.27Å; S259-R261 PolarHBondContact O-N 3Å
260	G	53.3	Low	63.6	Low	54 Å²	54	71 Å²	71	56%	0.557	37%	0.371	S	S	*	.	S	Bend	trans	77.7	5.4	-178.3	0	0	0	0	0	114.6	V256 S257 E258	V256-G260 WeakPolarHBondContact CG1-O 3.11Å; S257-G260 PolarHBondContact O-N 3.28Å; E258-G260 PolarHBondContact O-N 3.35Å; E258-G260 VanDerWaalsContact O-N 3.13Å
261	R	53.7	Low	62.7	Low	158 Å²	158	72.9 Å²	72.9	60%	0.596	38%	0.38	S	S	*	.			trans	-95.3	129.7	-179.3	-61.7	-177.6	-178	-177.7	1.3	111.5	S257 S259 H263 V264	S257-R261 PolarHBondContact N-O 3.3Å; S257-R261 PolarHBondContact OG-N 3.17Å; S257-R261 PolarHBondContact OG-O 3.01Å; S259-R261 VanDerWaalsContact C-N 3.27Å; S259-R261 PolarHBondContact O-N 3Å; R261-H263 VanDerWaalsContact C-N 3.3Å; R261-H263 PolarHBondContact O-N 2.85Å; R261-V264 HydrophobicContact CB-CG2 4.16Å
262	H	48.9	Very low	61.8	Low	106 Å²	106	72.3 Å²	72.3	49%	0.491	37%	0.373	S	S	.	.	S	Bend	trans	-63.6	-31.6	177.1	-72.7	-75.8	0	0	0	113.5	F254	F254-H262 AromaticContact CD2-CE1 3.7Å; F254-H262 AromaticContact CD2-ND1 3.9Å; F254-H262 AromaticContact CE2-CE1 3.87Å
263	H	46.6	Very low	60.9	Low	132 Å²	132	71.3 Å²	71.3	61%	0.611	37%	0.37	S	S	*	.			trans	-142.2	116.7	-177.3	-67.8	86.3	0	0	0	109.3	R261	R261-H263 VanDerWaalsContact C-N 3.3Å; R261-H263 PolarHBondContact O-N 2.85Å
264	V	44.8	Very low	60.4	Low	9 Å²	9	77.7 Å²	77.7	6%	0.055	40%	0.399	C	S	.	.			trans	-103.5	80.2	-179.2	-177.3	0	0	0	0	108.7	S257 R261 G266 I267 L350	S257-V264 VanDerWaalsContact OG-CG2 3.29Å; S257-V264 WeakPolarHBondContact OG-CG2 3.36Å; R261-V264 HydrophobicContact CB-CG2 4.16Å; V264-G266 PolarHBondContact O-N 2.75Å; V264-I267 HydrophobicContact CB-CD1 4.38Å; V264-I267 HydrophobicContact CG1-CB 3.83Å; V264-I267 HydrophobicContact CG1-CD1 3.14Å; V264-I267 HydrophobicContact CG1-CG1 3.24Å; V264-I267 HydrophobicContact CG2-CD1 4.32Å; V264-L350 HydrophobicContact CG1-CD1 4.39Å
265	K	43.4	Very low	60	Low	183 Å²	183	74.9 Å²	74.9	80%	0.796	39%	0.388	S	S	*	.			trans	-77.9	118.5	163.9	-84.5	-173.5	175.1	-179.6	0	108.6
266	G	45.3	Very low	60	Low	42 Å²	42	75.1 Å²	75.1	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	78.6	36.5	160.5	0	0	0	0	0	117.9	V264	V264-G266 PolarHBondContact O-N 2.75Å
267	I	49.2	Very low	60.3	Low	54 Å²	54	74.7 Å²	74.7	28%	0.277	39%	0.386	S	S	.	.			trans	-76.1	135.6	166	-66	-179.8	0	0	0	109.5	V264 I269	V264-I267 HydrophobicContact CB-CD1 4.38Å; V264-I267 HydrophobicContact CG1-CB 3.83Å; V264-I267 HydrophobicContact CG1-CD1 3.14Å; V264-I267 HydrophobicContact CG1-CG1 3.24Å; V264-I267 HydrophobicContact CG2-CD1 4.32Å; I267-I269 HydrophobicContact CB-CD1 4.1Å; I267-I269 HydrophobicContact CB-CG1 3.8Å; I267-I269 HydrophobicContact CG2-CD1 4.04Å; I267-I269 HydrophobicContact CG2-CG1 3.36Å; I267-I269 PolarHBondContact O-N 2.92Å; I267-I269 VanDerWaalsContact O-N 3.08Å
268	H	50.1	Low	61.2	Low	97 Å²	97	74.9 Å²	74.9	45%	0.449	39%	0.386	S	S	.	.			trans	-75.5	91.8	168.8	-67.7	63.8	0	0	0	108.3	Q579	H268-Q579 PolarHBondContact O-NE2 3.36Å; H268-Q579 VanDerWaalsContact O-NE2 3.09Å
269	I	57.7	Low	62.5	Low	30 Å²	30	67.9 Å²	67.9	15%	0.154	35%	0.354	C	S	.	.			trans	-106.3	133.7	179.3	-49.6	176.4	0	0	0	108.8	I267 S273 I275 L350 I352 K353	I267-I269 HydrophobicContact CB-CD1 4.1Å; I267-I269 HydrophobicContact CB-CG1 3.8Å; I267-I269 HydrophobicContact CG2-CD1 4.04Å; I267-I269 HydrophobicContact CG2-CG1 3.36Å; I267-I269 PolarHBondContact O-N 2.92Å; I267-I269 VanDerWaalsContact O-N 3.08Å; I269-S273 WeakPolarHBondContact CG2-OG 3.27Å; I269-I275 HydrophobicContact CB-CD1 4.15Å; I269-I275 HydrophobicContact CD1-CD1 3.44Å; I269-I275 VanDerWaalsContact CD1-CD1 3.44Å; I269-I275 HydrophobicContact CG1-CD1 4.33Å; I269-I275 HydrophobicContact CG2-CD1 3.38Å; I269-L350 HydrophobicContact CD1-CD1 3.92Å; I269-I352 HydrophobicContact CB-CD1 3.96Å; I269-I352 HydrophobicContact CD1-CD1 4.29Å; I269-I352 HydrophobicContact CG1-CD1 4.5Å; I269-I352 WeakPolarHBondContact O-CG2 3.47Å; I269-K353 VanDerWaalsContact O-O 3.07Å
270	Q	56.9	Low	64	Low	107 Å²	107	67.3 Å²	67.3	50%	0.5	34%	0.343	S	S	.	.			trans	-67.7	141.5	179	-168.4	170.6	-25.2	0	0	111	S273	Q270-S273 WeakPolarHBondContact O-CB 3.42Å; Q270-S273 PolarHBondContact O-N 3.11Å; Q270-S273 PolarHBondContact O-OG 2.78Å
271	L	60.7	Low	65.7	Low	53 Å²	53	64.8 Å²	64.8	28%	0.277	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	149.4	165.8	-76.7	159.5	0	0	0	111.2	S273 K327 M328 E329	L271-S273 PolarHBondContact O-N 2.78Å; L271-S273 VanDerWaalsContact O-N 3.09Å; L271-K327 VanDerWaalsContact CD2-C 3.49Å; L271-M328 VanDerWaalsContact CD2-C 3.47Å; L271-M328 VanDerWaalsContact CD2-CA 3.49Å; L271-M328 VanDerWaalsContact CD2-N 3.32Å; L271-E329 HydrophobicContact CD1-CG 3.89Å; L271-E329 HydrophobicContact CG-CG 4.33Å
272	D	61.8	Low	67.4	Low	99 Å²	99	58.1 Å²	58.1	53%	0.529	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	2.4	180	-61.6	-54.9	0	0	0	116.7	V325 P326 K327	D272-V325 HydrophobicContact CB-CG1 4.44Å; D272-P326 PolarHBondContact N-O 2.82Å; D272-P326 VanDerWaalsContact N-O 3.15Å; D272-K327 WeakPolarHBondContact OD1-CD 3.49Å; D272-K327 IonicContact OD1-NZ 3.32Å; D272-K327 PolarHBondContact OD1-NZ 3.13Å
273	S	67.9	Low	69.2	Low	37 Å²	37	53.6 Å²	53.6	26%	0.259	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-78	149.9	169.7	65.6	0	0	0	0	111.7	I269 Q270 L271 I275 P326	I269-S273 WeakPolarHBondContact CG2-OG 3.27Å; Q270-S273 WeakPolarHBondContact O-CB 3.42Å; Q270-S273 PolarHBondContact O-N 3.11Å; Q270-S273 PolarHBondContact O-OG 2.78Å; L271-S273 PolarHBondContact O-N 2.78Å; L271-S273 VanDerWaalsContact O-N 3.09Å; S273-I275 PolarHBondContact O-N 2.6Å; S273-P326 VanDerWaalsContact O-CD 3.31Å; S273-P326 WeakPolarHBondContact O-CD 3.45Å
274	H	77	Confident	70.9	Confident	138 Å²	138	52.2 Å²	52.2	64%	0.639	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-74	120	174.4	-72.5	-88.6	0	0	0	110.1	V325	H274-V325 WeakPolarHBondContact ND1-CG2 3.34Å
275	I	80.8	Confident	72.7	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.062	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.4	169.7	-57.8	-58.6	0	0	0	108.4	I269 S273 Y277 T323 F324 P326 L350	I269-I275 HydrophobicContact CB-CD1 4.15Å; I269-I275 HydrophobicContact CD1-CD1 3.44Å; I269-I275 VanDerWaalsContact CD1-CD1 3.44Å; I269-I275 HydrophobicContact CG1-CD1 4.33Å; I269-I275 HydrophobicContact CG2-CD1 3.38Å; S273-I275 PolarHBondContact O-N 2.6Å; I275-Y277 HydrophobicContact CG2-CD2 4.03Å; I275-Y277 HydrophobicContact CG2-CE2 3.55Å; I275-T323 VanDerWaalsContact O-CA 3.26Å; I275-T323 WeakPolarHBondContact O-CA 3.47Å; I275-F324 HydrophobicContact CB-CD1 3.83Å; I275-F324 HydrophobicContact CB-CE1 3.56Å; I275-F324 HydrophobicContact CB-CZ 4.14Å; I275-F324 HydrophobicContact CG1-CE1 4.09Å; I275-F324 HydrophobicContact CG1-CZ 4.16Å; I275-F324 HydrophobicContact CG2-CD1 4.09Å; I275-F324 HydrophobicContact CG2-CE1 3.52Å; I275-F324 HydrophobicContact CG2-CZ 4.27Å; I275-F324 PolarHBondContact N-O 3.31Å; I275-F324 PolarHBondContact O-N 3.43Å; I275-P326 HydrophobicContact CG1-CG 3.92Å; I275-L350 HydrophobicContact CG1-CD2 4.39Å; I275-L350 HydrophobicContact CG2-CD2 4.05Å
276	T	85.3	Confident	74.6	Confident	23 Å²	23	52.5 Å²	52.5	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	-178.6	-54.7	0	0	0	0	111.2	E258 T321 T323	E258-T276 PolarHBondContact N-O 2.98Å; E258-T276 WeakPolarHBondContact OE2-CB 3.32Å; T276-T321 HydrophobicContact CG2-CG2 3.54Å; T276-T323 HydrophobicContact CG2-CG2 3.91Å; T276-T323 WeakPolarHBondContact OG1-CG2 3.22Å
277	Y	88	Confident	76.6	Confident	6 Å²	6	56.1 Å²	56.1	2%	0.024	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.5	165.9	-71.2	-88	0	0	0	109.5	V255 V256 I275 M310 C322 I334 F336 V348	V255-Y277 HydrophobicContact CG1-CD1 3.77Å; V255-Y277 HydrophobicContact CG1-CG 4.09Å; V256-Y277 WeakPolarHBondContact O-CA 3.48Å; I275-Y277 HydrophobicContact CG2-CD2 4.03Å; I275-Y277 HydrophobicContact CG2-CE2 3.55Å; Y277-M310 HydrophobicContact CD2-CE 3.82Å; Y277-C322 PolarHBondContact N-O 2.85Å; Y277-C322 PolarHBondContact O-N 3.12Å; Y277-I334 HydrophobicContact CE2-CD1 3.74Å; Y277-F336 HydrophobicContact CD1-CZ 4.25Å; Y277-F336 AromaticContact CD2-CZ 3.85Å; Y277-F336 HydrophobicContact CD2-CZ 3.85Å; Y277-F336 HydrophobicContact CE2-CZ 4.49Å; Y277-F336 HydrophobicContact CG-CE1 4.47Å; Y277-F336 HydrophobicContact CG-CE2 4.48Å; Y277-F336 AromaticContact CG-CZ 3.7Å; Y277-F336 HydrophobicContact CG-CZ 3.7Å; Y277-V348 HydrophobicContact CE1-CG1 4.18Å
278	V	90.2	Very high	78.4	Confident	15 Å²	15	58 Å²	58	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.1	171.2	-174.3	0	0	0	0	108.1	V256 Y320	V256-V278 PolarHBondContact N-O 2.8Å; V256-V278 PolarHBondContact O-N 3.07Å; V278-Y320 WeakPolarHBondContact CA-O 3.48Å
279	L	91	Very high	80.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126	173.7	-178.7	155.7	0	0	0	108.6	V255 A281 V296 T319 Y320 F336 V338 I343	V255-L279 HydrophobicContact CG2-CB 4.01Å; V255-L279 HydrophobicContact CG2-CD1 3.96Å; V255-L279 HydrophobicContact CG2-CG 3.93Å; L279-A281 HydrophobicContact CD2-CB 4.37Å; L279-V296 HydrophobicContact CD1-CG1 3.56Å; L279-V296 HydrophobicContact CD2-CG1 4.39Å; L279-V296 HydrophobicContact CD2-CG2 4.18Å; L279-V296 HydrophobicContact CG-CG1 4.45Å; L279-T319 CarbonylContact O-C 3.59Å; L279-T319 VanDerWaalsContact O-CA 3.24Å; L279-T319 WeakPolarHBondContact O-CA 3.23Å; L279-Y320 HydrophobicContact CD2-CD2 3.82Å; L279-Y320 PolarHBondContact N-O 2.77Å; L279-Y320 PolarHBondContact O-N 3.34Å; L279-F336 HydrophobicContact CD1-CB 4.24Å; L279-F336 HydrophobicContact CD1-CD1 4.42Å; L279-V338 HydrophobicContact CD1-CG2 4Å; L279-V338 HydrophobicContact CD2-CG2 3.72Å; L279-V338 HydrophobicContact CG-CG2 4.4Å; L279-I343 HydrophobicContact CD1-CD1 3.2Å; L279-I343 HydrophobicContact CD2-CD1 4.46Å; L279-I343 HydrophobicContact CG-CD1 3.93Å
280	H	90.9	Very high	81.3	Confident	58 Å²	58	57.2 Å²	57.2	27%	0.269	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.7	175.6	-69.8	-95.7	0	0	0	108.5	S253 F254 L282 T319	S253-H280 WeakPolarHBondContact CA-O 3.45Å; S253-H280 WeakPolarHBondContact CB-O 3.4Å; F254-H280 HydrophobicContact CD1-CB 4.32Å; F254-H280 HydrophobicContact CD2-CB 4.36Å; F254-H280 HydrophobicContact CE1-CB 3.88Å; F254-H280 HydrophobicContact CE2-CB 3.93Å; F254-H280 AromaticContact CE2-CD2 3.86Å; F254-H280 AromaticContact CE2-CG 3.97Å; F254-H280 HydrophobicContact CZ-CB 3.66Å; F254-H280 AromaticContact CZ-CG 3.91Å; F254-H280 PolarHBondContact N-O 3.36Å; F254-H280 VanDerWaalsContact N-O 3.15Å; F254-H280 PolarHBondContact O-N 2.95Å; H280-L282 PolarHBondContact O-N 3.44Å; H280-T319 WeakPolarHBondContact ND1-CG2 3.42Å
281	A	89.7	Confident	82.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.29	C	S	.	.			trans	-79.1	121.8	175.9	0	0	0	0	0	109.5	A248 L279 L289 G318 Y320	A248-A281 HydrophobicContact CB-CB 3.73Å; L279-A281 HydrophobicContact CD2-CB 4.37Å; A281-L289 HydrophobicContact CB-CD1 3.85Å; A281-L289 HydrophobicContact CB-CG 4.37Å; A281-L289 PolarHBondContact O-N 2.93Å; A281-G318 VanDerWaalsContact CB-O 3.29Å; A281-G318 WeakPolarHBondContact CB-O 3.2Å; A281-G318 PolarHBondContact N-O 2.87Å; A281-Y320 HydrophobicContact CB-CD2 4.5Å; A281-Y320 HydrophobicContact CB-CE2 3.95Å
282	L	90.1	Very high	83.4	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.094	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-108.3	149.3	174.6	-55.7	-167.2	0	0	0	110	A248 N249 N252 S253 F254 H280 Q287 P288	A248-L282 CarbonylContact C-O 3.6Å; A248-L282 WeakPolarHBondContact CA-O 3.44Å; N249-L282 PolarHBondContact N-O 3.07Å; N252-L282 HydrophobicContact CB-CB 3.98Å; N252-L282 HydrophobicContact CB-CD1 4.49Å; N252-L282 WeakPolarHBondContact O-CD1 3.23Å; S253-L282 PolarHBondContact OG-N 3.02Å; S253-L282 VanDerWaalsContact OG-N 3.08Å; F254-L282 HydrophobicContact CD1-CD1 3.93Å; F254-L282 HydrophobicContact CD1-CG 4.18Å; F254-L282 HydrophobicContact CE1-CD1 3.87Å; F254-L282 HydrophobicContact CE1-CD2 4.03Å; F254-L282 HydrophobicContact CE1-CG 4.09Å; H280-L282 PolarHBondContact O-N 3.44Å; L282-Q287 CarbonylContact C-O 3.5Å; L282-Q287 VanDerWaalsContact CA-O 3.32Å; L282-Q287 WeakPolarHBondContact CA-O 3.46Å; L282-P288 HydrophobicContact CD2-CB 4.07Å; L282-P288 HydrophobicContact CD2-CG 3.98Å
283	D	85.9	Confident	84.4	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.064	29%	0.291	C	S	.	.			trans	-77.2	-175	176.3	82	-4.3	0	0	0	112.7	T246 N249 N252 F285 G286 Q287 L289	T246-D283 WeakPolarHBondContact OG1-CB 3.24Å; N249-D283 WeakPolarHBondContact CB-O 3.48Å; N252-D283 PolarHBondContact ND2-O 2.94Å; D283-F285 PolarHBondContact O-N 3.29Å; D283-F285 VanDerWaalsContact OD1-C 3.29Å; D283-F285 VanDerWaalsContact OD1-CA 3.28Å; D283-F285 WeakPolarHBondContact OD1-CA 3.25Å; D283-F285 WeakPolarHBondContact OD1-CB 3.47Å; D283-F285 PolarHBondContact OD1-N 2.89Å; D283-G286 PolarHBondContact O-N 2.89Å; D283-G286 VanDerWaalsContact O-N 3.14Å; D283-G286 PolarHBondContact OD1-N 2.82Å; D283-Q287 PolarHBondContact N-O 3.12Å; D283-Q287 PolarHBondContact OD1-N 2.94Å; D283-L289 HydrophobicContact CB-CD2 3.84Å
284	H	82.5	Confident	85.2	Confident	102 Å²	102	50 Å²	50	47%	0.472	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19	179.6	-64.2	77.1	0	0	0	113.9	T246 N249 N252	T246-H284 PolarHBondContact OG1-ND1 3.1Å; N249-H284 PolarHBondContact ND2-CD2 3.49Å; N252-H284 PolarHBondContact ND2-O 3.01Å
285	F	82.8	Confident	85.5	Confident	165 Å²	165	45.7 Å²	45.7	72%	0.724	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	1.6	178.1	-54.2	-73.6	0	0	0	112.5	D283 Q287	D283-F285 PolarHBondContact O-N 3.29Å; D283-F285 VanDerWaalsContact OD1-C 3.29Å; D283-F285 VanDerWaalsContact OD1-CA 3.28Å; D283-F285 WeakPolarHBondContact OD1-CA 3.25Å; D283-F285 WeakPolarHBondContact OD1-CB 3.47Å; D283-F285 PolarHBondContact OD1-N 2.89Å; F285-Q287 VanDerWaalsContact C-N 3.35Å; F285-Q287 HydrophobicContact CB-CG 4.45Å
286	G	84	Confident	85.8	Confident	34 Å²	34	45.7 Å²	45.7	35%	0.351	27%	0.268	S	S	.	.	S	Bend	trans	78.9	16.8	-178.1	0	0	0	0	0	113.7	D283	D283-G286 PolarHBondContact O-N 2.89Å; D283-G286 VanDerWaalsContact O-N 3.14Å; D283-G286 PolarHBondContact OD1-N 2.82Å
287	Q	85.9	Confident	86	Confident	118 Å²	118	45.3 Å²	45.3	55%	0.551	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-88.9	140.2	175.9	-60.6	-170	-11.2	0	0	110.8	L282 D283 F285 L289	L282-Q287 CarbonylContact C-O 3.5Å; L282-Q287 VanDerWaalsContact CA-O 3.32Å; L282-Q287 WeakPolarHBondContact CA-O 3.46Å; D283-Q287 PolarHBondContact N-O 3.12Å; D283-Q287 PolarHBondContact OD1-N 2.94Å; F285-Q287 VanDerWaalsContact C-N 3.35Å; F285-Q287 HydrophobicContact CB-CG 4.45Å; Q287-L289 PolarHBondContact O-N 3.22Å
288	P	87	Confident	86.1	Confident	94 Å²	94	45.1 Å²	45.1	61%	0.61	27%	0.266	S	S	*	.	B	Isolated β-bridge	trans	-60.4	134.5	174.5	-21.8	32.6	0	0	0	111.5	L282	L282-P288 HydrophobicContact CD2-CB 4.07Å; L282-P288 HydrophobicContact CD2-CG 3.98Å
289	L	85.8	Confident	86.1	Confident	22 Å²	22	44.4 Å²	44.4	12%	0.115	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-66.4	154.1	167.7	-62.3	-176.1	0	0	0	110.1	T246 A248 A281 D283 Q287 D294	T246-L289 WeakPolarHBondContact O-CD2 3.07Å; A248-L289 HydrophobicContact CB-CD1 3.82Å; A281-L289 HydrophobicContact CB-CD1 3.85Å; A281-L289 HydrophobicContact CB-CG 4.37Å; A281-L289 PolarHBondContact O-N 2.93Å; D283-L289 HydrophobicContact CB-CD2 3.84Å; Q287-L289 PolarHBondContact O-N 3.22Å; L289-D294 WeakPolarHBondContact CD1-OD2 3.26Å
290	T	82.2	Confident	86.1	Confident	88 Å²	88	44.4 Å²	44.4	54%	0.54	26%	0.261	S	S	.	.	S	Bend	trans	-113.5	1.7	-179.5	50.2	0	0	0	0	112.9	D317	T290-D317 CarbonylContact C-O 3.52Å
291	T	80.5	Confident	86	Confident	44 Å²	44	43.3 Å²	43.3	27%	0.27	26%	0.256	S	S	.	.	S	Bend	trans	-143.8	155.3	180	56.2	0	0	0	0	109.9	N316 G318	T291-N316 WeakPolarHBondContact CA-O 3.07Å; T291-G318 VanDerWaalsContact C-N 3.3Å; T291-G318 WeakPolarHBondContact O-CA 3.18Å; T291-G318 PolarHBondContact O-N 2.7Å
292	G	83.2	Confident	86	Confident	17 Å²	17	44.3 Å²	44.3	18%	0.175	26%	0.263	C	S	.	.			trans	-82.9	-160.6	175.5	0	0	0	0	0	114.3	D314 N316 Y320	G292-D314 WeakPolarHBondContact CA-OD1 3.4Å; G292-D314 WeakPolarHBondContact CA-OD2 2.93Å; G292-N316 VanDerWaalsContact N-C 3.33Å; G292-N316 PolarHBondContact N-OD1 2.93Å; G292-Y320 WeakPolarHBondContact CA-OH 3.48Å
293	G	81.6	Confident	85.9	Confident	64 Å²	64	45.6 Å²	45.6	66%	0.66	27%	0.273	S	S	*	.			trans	108.8	-11.3	174.4	0	0	0	0	0	116	D314 Y320	G293-D314 PolarHBondContact N-OD2 2.81Å; G293-Y320 PolarHBondContact N-OH 3.07Å
294	D	84.6	Confident	85.8	Confident	18 Å²	18	49.4 Å²	49.4	10%	0.096	29%	0.293	C	S	.	.			trans	-72.5	147.5	173.1	-69.4	-71.1	0	0	0	112.8	A248 L289 V296 Y320	A248-D294 HydrophobicContact CB-CB 4.18Å; A248-D294 VanDerWaalsContact CB-OD2 3.3Å; A248-D294 WeakPolarHBondContact CB-OD2 3.39Å; A248-D294 PolarHBondContact N-OD1 2.84Å; A248-D294 PolarHBondContact N-OD2 2.81Å; L289-D294 WeakPolarHBondContact CD1-OD2 3.26Å; D294-V296 PolarHBondContact O-N 2.82Å; D294-Y320 WeakPolarHBondContact CB-OH 3.31Å; D294-Y320 PolarHBondContact N-OH 3.43Å; D294-Y320 WeakPolarHBondContact O-CE1 3.43Å
295	V	83	Confident	85.9	Confident	49 Å²	49	45.9 Å²	45.9	30%	0.297	28%	0.284	S	S	.	.			trans	-79.2	107	178.2	179	0	0	0	0	109.4	D38 R339	D38-V295 VanDerWaalsContact OD1-CG1 3.3Å; D38-V295 WeakPolarHBondContact OD1-CG1 3.48Å; V295-R339 PolarHBondContact O-N 2.82Å
296	V	88.4	Confident	86.1	Confident	12 Å²	12	39 Å²	39	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141	-179.5	175.6	0	0	0	0	110.9	L279 D294 V312 Y320 F337 V338	L279-V296 HydrophobicContact CD1-CG1 3.56Å; L279-V296 HydrophobicContact CD2-CG1 4.39Å; L279-V296 HydrophobicContact CD2-CG2 4.18Å; L279-V296 HydrophobicContact CG-CG1 4.45Å; D294-V296 PolarHBondContact O-N 2.82Å; V296-V312 HydrophobicContact CB-CG1 4.03Å; V296-V312 HydrophobicContact CG1-CG1 3.94Å; V296-Y320 HydrophobicContact CB-CD1 3.93Å; V296-Y320 HydrophobicContact CB-CE1 4.4Å; V296-Y320 HydrophobicContact CB-CG 4.03Å; V296-Y320 HydrophobicContact CG1-CG 4.24Å; V296-Y320 HydrophobicContact CG2-CD1 3.74Å; V296-Y320 HydrophobicContact CG2-CD2 3.73Å; V296-Y320 HydrophobicContact CG2-CE1 3.89Å; V296-Y320 HydrophobicContact CG2-CE2 3.89Å; V296-Y320 HydrophobicContact CG2-CG 3.67Å; V296-F337 WeakPolarHBondContact CA-O 3.44Å; V296-V338 HydrophobicContact CG2-CG2 4.05Å
297	S	88.5	Confident	86.3	Confident	15 Å²	15	38.3 Å²	38.3	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.7	174.6	56.7	0	0	0	0	111.9	P53 F337	P53-S297 WeakPolarHBondContact CG-OG 3.33Å; S297-F337 PolarHBondContact N-O 3.16Å; S297-F337 PolarHBondContact O-N 2.96Å
298	G	89.7	Confident	86.5	Confident	1 Å²	1	37 Å²	37	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127	172	0	0	0	0	0	110.4	C309 M310 N335	G298-C309 WeakPolarHBondContact O-CA 3.43Å; G298-M310 PolarHBondContact O-N 3.18Å; G298-N335 CarbonylContact C-O 3.58Å; G298-N335 WeakPolarHBondContact CA-O 3.19Å
299	L	90.2	Very high	86.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.7	175.9	-176.6	67.5	0	0	0	109.4	I42 A56 I72 L307 I334 N335 F337	I42-L299 HydrophobicContact CD1-CD2 4.01Å; A56-L299 HydrophobicContact CB-CD1 4.01Å; A56-L299 HydrophobicContact CB-CD2 4.01Å; I72-L299 HydrophobicContact CD1-CD2 4.4Å; I72-L299 HydrophobicContact CG2-CD2 3.89Å; L299-L307 HydrophobicContact CD1-CB 4.45Å; L299-I334 WeakPolarHBondContact O-CA 3.42Å; L299-N335 PolarHBondContact N-O 3.48Å; L299-N335 PolarHBondContact O-N 3.11Å; L299-F337 HydrophobicContact CB-CE2 3.86Å
300	I	90.9	Very high	87	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.2	-176.7	-51.2	165.5	0	0	0	107.8	L307 D308 M310 F324 Y332	I300-L307 CarbonylContact O-C 3.55Å; I300-L307 VanDerWaalsContact O-CA 3.29Å; I300-L307 WeakPolarHBondContact O-CA 3.37Å; I300-D308 HydrophobicContact CB-CB 4.38Å; I300-D308 WeakPolarHBondContact CB-O 3.35Å; I300-D308 HydrophobicContact CD1-CB 4.44Å; I300-D308 PolarHBondContact N-O 2.9Å; I300-D308 PolarHBondContact O-N 2.82Å; I300-M310 HydrophobicContact CD1-CG 3.69Å; I300-M310 HydrophobicContact CG1-CG 3.65Å; I300-F324 HydrophobicContact CD1-CB 3.54Å; I300-F324 HydrophobicContact CD1-CD1 4.09Å; I300-F324 HydrophobicContact CD1-CD2 3.62Å; I300-F324 HydrophobicContact CD1-CE2 4.31Å; I300-F324 HydrophobicContact CD1-CG 3.48Å; I300-F324 VanDerWaalsContact CD1-CG 3.48Å; I300-F324 HydrophobicContact CG2-CE2 4.41Å; I300-Y332 HydrophobicContact CG2-CD1 3.66Å; I300-Y332 HydrophobicContact CG2-CE1 4.25Å
301	Q	90.6	Very high	87.4	Confident	35 Å²	35	36 Å²	36	16%	0.164	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.2	160.3	-169.6	-178.2	18.3	0	0	108.7	I72 L307 Y332 Q333	I72-Q301 PolarHBondContact O-NE2 3.09Å; I72-Q301 PolarHBondContact O-OE1 2.82Å; Q301-L307 HydrophobicContact CB-CD2 3.97Å; Q301-L307 HydrophobicContact CG-CD2 4.11Å; Q301-Y332 WeakPolarHBondContact O-CA 3.4Å; Q301-Q333 HydrophobicContact CB-CB 4.16Å; Q301-Q333 PolarHBondContact N-O 2.83Å; Q301-Q333 PolarHBondContact O-N 3.15Å
302	C	89.6	Confident	87.9	Confident	22 Å²	22	35.9 Å²	35.9	15%	0.149	23%	0.227	C	C	.	.			trans	-71.8	160.2	177.4	-64	0	0	0	0	111.2	N304 G305 A306 Y332	C302-N304 VanDerWaalsContact CB-OD1 3.27Å; C302-N304 WeakPolarHBondContact CB-OD1 3.17Å; C302-N304 PolarHBondContact O-N 2.95Å; C302-N304 VanDerWaalsContact O-N 3.11Å; C302-G305 WeakPolarHBondContact O-CA 3.21Å; C302-G305 PolarHBondContact O-N 2.94Å; C302-A306 HydrophobicContact CB-CB 4.32Å; C302-A306 PolarHBondContact N-O 2.85Å; C302-Y332 HydrophobicContact CB-CE1 4.06Å
303	P	87	Confident	88.5	Confident	45 Å²	45	38.2 Å²	38.2	29%	0.292	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.8	179.7	-26.1	32.9	0	0	0	114.2	G305 M328 D331 Y332	P303-G305 PolarHBondContact O-N 3.09Å; P303-M328 HydrophobicContact CB-CE 4.07Å; P303-M328 HydrophobicContact CB-SD 4.3Å; P303-M328 HydrophobicContact CG-CG 4.09Å; P303-M328 HydrophobicContact CG-SD 4.33Å; P303-D331 WeakPolarHBondContact CA-O 3.37Å; P303-Y332 VanDerWaalsContact CD-CE2 3.45Å; P303-Y332 HydrophobicContact CG-CD2 3.74Å; P303-Y332 HydrophobicContact CG-CE1 4.49Å; P303-Y332 HydrophobicContact CG-CE2 3.5Å; P303-Y332 VanDerWaalsContact CG-CE2 3.5Å; P303-Y332 HydrophobicContact CG-CG 4.33Å
304	N	84.4	Confident	88.9	Confident	92 Å²	92	38.1 Å²	38.1	49%	0.492	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	5.5	175	66.4	1.8	0	0	0	114	C302 A306 M328	C302-N304 VanDerWaalsContact CB-OD1 3.27Å; C302-N304 WeakPolarHBondContact CB-OD1 3.17Å; C302-N304 PolarHBondContact O-N 2.95Å; C302-N304 VanDerWaalsContact O-N 3.11Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 2.86Å; N304-A306 WeakPolarHBondContact OD1-CB 3.28Å; N304-A306 PolarHBondContact OD1-N 2.87Å; N304-M328 HydrophobicContact CB-CE 4.13Å; N304-M328 HydrophobicContact CB-SD 3.99Å
305	G	83.5	Confident	89.2	Confident	27 Å²	27	42.8 Å²	42.8	28%	0.278	24%	0.238	S	C	.	.	S	Bend	trans	78.8	1.6	-178	0	0	0	0	0	115.5	C302 P303	C302-G305 WeakPolarHBondContact O-CA 3.21Å; C302-G305 PolarHBondContact O-N 2.94Å; P303-G305 PolarHBondContact O-N 3.09Å
306	A	87.5	Confident	89.5	Confident	22 Å²	22	45.9 Å²	45.9	18%	0.182	25%	0.253	C	S	.	.			trans	-67	150.1	171.7	0	0	0	0	0	110.9	C302 N304	C302-A306 HydrophobicContact CB-CB 4.32Å; C302-A306 PolarHBondContact N-O 2.85Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 2.86Å; N304-A306 WeakPolarHBondContact OD1-CB 3.28Å; N304-A306 PolarHBondContact OD1-N 2.87Å
307	L	89.5	Confident	89.4	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.099	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.7	175.9	-66.7	175.8	0	0	0	110.1	A56 P57 L64 A73 L299 I300 Q301	A56-L307 HydrophobicContact CB-CD1 4.45Å; P57-L307 HydrophobicContact CG-CB 4.47Å; L64-L307 HydrophobicContact CD1-CD1 3.7Å; A73-L307 HydrophobicContact CB-CD1 4.23Å; A73-L307 HydrophobicContact CB-CD2 4.49Å; L299-L307 HydrophobicContact CD1-CB 4.45Å; I300-L307 CarbonylContact O-C 3.55Å; I300-L307 VanDerWaalsContact O-CA 3.29Å; I300-L307 WeakPolarHBondContact O-CA 3.37Å; Q301-L307 HydrophobicContact CB-CD2 3.97Å; Q301-L307 HydrophobicContact CG-CD2 4.11Å
308	D	89.7	Confident	89.3	Confident	90 Å²	90	48 Å²	48	48%	0.481	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.8	177.6	-161.1	5.1	0	0	0	110.9	I300	I300-D308 HydrophobicContact CB-CB 4.38Å; I300-D308 WeakPolarHBondContact CB-O 3.35Å; I300-D308 HydrophobicContact CD1-CB 4.44Å; I300-D308 PolarHBondContact N-O 2.9Å; I300-D308 PolarHBondContact O-N 2.82Å
309	C	89.7	Confident	89.4	Confident	46 Å²	46	48.7 Å²	48.7	31%	0.311	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.3	-179.8	-67.7	0	0	0	0	111.9	G298	G298-C309 WeakPolarHBondContact O-CA 3.43Å
310	M	91.9	Very high	89.5	Confident	13 Å²	13	48.9 Å²	48.9	6%	0.064	27%	0.268	C	S	.	.			trans	-73.1	146.6	169.7	-61.6	-177.9	87.7	0	0	110.9	Y277 G298 I300 C322 T323 F324 I334 F336	Y277-M310 HydrophobicContact CD2-CE 3.82Å; G298-M310 PolarHBondContact O-N 3.18Å; I300-M310 HydrophobicContact CD1-CG 3.69Å; I300-M310 HydrophobicContact CG1-CG 3.65Å; M310-C322 VanDerWaalsContact CE-C 3.49Å; M310-C322 HydrophobicContact CE-CB 3.71Å; M310-C322 VanDerWaalsContact CE-O 3.29Å; M310-C322 WeakPolarHBondContact CE-O 3.46Å; M310-C322 HydrophobicContact SD-CB 3.95Å; M310-T323 WeakPolarHBondContact CA-O 3.34Å; M310-F324 HydrophobicContact CE-CD1 3.71Å; M310-F324 HydrophobicContact CE-CE1 4.35Å; M310-F324 HydrophobicContact CG-CB 4.39Å; M310-F324 HydrophobicContact CG-CD1 4.47Å; M310-I334 HydrophobicContact SD-CG2 3.67Å; M310-F336 HydrophobicContact CE-CE1 4.07Å; M310-F336 HydrophobicContact CE-CZ 4.15Å; M310-F336 HydrophobicContact SD-CD1 4.32Å; M310-F336 HydrophobicContact SD-CE1 3.44Å; M310-F336 WeakPolarHBondContact SD-CE1 3.47Å; M310-F336 HydrophobicContact SD-CZ 3.77Å
311	H	92.1	Very high	89.6	Confident	123 Å²	123	49.9 Å²	49.9	57%	0.569	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.5	167.2	179.1	-98.8	0	0	0	109.8	V313 C322 T323	H311-V313 WeakPolarHBondContact CE1-CG2 3.4Å; H311-C322 CarbonylContact O-C 3.52Å; H311-C322 WeakPolarHBondContact O-CA 3.32Å; H311-T323 PolarHBondContact N-O 3.06Å; H311-T323 PolarHBondContact O-N 3.49Å; H311-T323 PolarHBondContact O-OG1 3.19Å; H311-T323 VanDerWaalsContact O-OG1 3.13Å
312	V	91.6	Very high	89.6	Confident	43 Å²	43	48.2 Å²	48.2	26%	0.261	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.7	-175.6	-177.4	0	0	0	0	110.8	V296 Y320 T321	V296-V312 HydrophobicContact CB-CG1 4.03Å; V296-V312 HydrophobicContact CG1-CG1 3.94Å; V312-Y320 HydrophobicContact CG1-CD1 4.34Å; V312-T321 CarbonylContact C-O 3.48Å; V312-T321 VanDerWaalsContact CA-O 3.29Å; V312-T321 WeakPolarHBondContact CA-O 3.44Å
313	V	93.7	Very high	89.7	Confident	65 Å²	65	48.4 Å²	48.4	39%	0.394	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.7	174.5	-177.5	0	0	0	0	109.2	H311 Y320 T321	H311-V313 WeakPolarHBondContact CE1-CG2 3.4Å; V313-Y320 WeakPolarHBondContact O-CA 3.08Å; V313-T321 PolarHBondContact N-O 3.38Å; V313-T321 PolarHBondContact O-N 3.43Å
314	D	90.7	Very high	89.8	Confident	63 Å²	63	47 Å²	47	34%	0.337	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.1	171.4	-170.5	-15.2	0	0	0	109.7	G292 G293 N316 Y320	G292-D314 WeakPolarHBondContact CA-OD1 3.4Å; G292-D314 WeakPolarHBondContact CA-OD2 2.93Å; G293-D314 PolarHBondContact N-OD2 2.81Å; D314-N316 PolarHBondContact O-N 3.43Å; D314-N316 WeakPolarHBondContact OD1-CA 3.44Å; D314-N316 PolarHBondContact OD1-N 3.37Å; D314-Y320 HydrophobicContact CB-CD1 3.97Å; D314-Y320 HydrophobicContact CB-CE1 3.81Å; D314-Y320 WeakPolarHBondContact OD2-CE1 3.26Å
315	R	91.6	Very high	89.8	Confident	115 Å²	115	44.6 Å²	44.6	43%	0.434	24%	0.244	S	C	.	.			trans	-82.7	-2.6	176.9	-67.9	175.4	172.1	178	7.6	112.8	D317 T319 T321	R315-D317 WeakPolarHBondContact CB-OD1 3.28Å; R315-D317 PolarHBondContact O-N 2.9Å; R315-T319 WeakPolarHBondContact CB-O 3.25Å; R315-T319 WeakPolarHBondContact CD-OG1 3.34Å; R315-T319 PolarHBondContact N-O 3.17Å; R315-T319 VanDerWaalsContact N-O 3.1Å; R315-T321 VanDerWaalsContact CZ-OG1 3.27Å; R315-T321 PolarHBondContact NE-OG1 3.15Å; R315-T321 PolarHBondContact NH2-OG1 2.74Å; R315-T321 VanDerWaalsContact NH2-OG1 3.12Å
316	N	87.9	Confident	89.8	Confident	114 Å²	114	43.3 Å²	43.3	61%	0.61	23%	0.231	S	C	*	.	S	Bend	trans	60.1	24.5	-179.8	-161.9	35.3	0	0	0	114.3	T291 G292 D314	T291-N316 WeakPolarHBondContact CA-O 3.07Å; G292-N316 VanDerWaalsContact N-C 3.33Å; G292-N316 PolarHBondContact N-OD1 2.93Å; D314-N316 PolarHBondContact O-N 3.43Å; D314-N316 WeakPolarHBondContact OD1-CA 3.44Å; D314-N316 PolarHBondContact OD1-N 3.37Å
317	D	86.7	Confident	89.5	Confident	72 Å²	72	49.2 Å²	49.2	39%	0.385	25%	0.253	S	S	.	.	S	Bend	trans	-127.4	11.3	-178.5	67.6	-4.9	0	0	0	112.7	T290 R315 T319	T290-D317 CarbonylContact C-O 3.52Å; R315-D317 WeakPolarHBondContact CB-OD1 3.28Å; R315-D317 PolarHBondContact O-N 2.9Å; D317-T319 WeakPolarHBondContact OD1-CA 3.36Å; D317-T319 WeakPolarHBondContact OD1-CB 3.43Å; D317-T319 PolarHBondContact OD1-N 2.87Å; D317-T319 PolarHBondContact OD1-OG1 3.08Å; D317-T319 PolarHBondContact OD2-OG1 2.55Å
318	G	86.3	Confident	89.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.01	26%	0.264	C	S	.	.	S	Bend	trans	89.7	1.1	-172.7	0	0	0	0	0	113.9	A281 T291	A281-G318 VanDerWaalsContact CB-O 3.29Å; A281-G318 WeakPolarHBondContact CB-O 3.2Å; A281-G318 PolarHBondContact N-O 2.87Å; T291-G318 VanDerWaalsContact C-N 3.3Å; T291-G318 WeakPolarHBondContact O-CA 3.18Å; T291-G318 PolarHBondContact O-N 2.7Å
319	T	92.9	Very high	88.6	Confident	15 Å²	15	52 Å²	52	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.4	176.4	75.3	0	0	0	0	112.6	L279 H280 R315 D317	L279-T319 CarbonylContact O-C 3.59Å; L279-T319 VanDerWaalsContact O-CA 3.24Å; L279-T319 WeakPolarHBondContact O-CA 3.23Å; H280-T319 WeakPolarHBondContact ND1-CG2 3.42Å; R315-T319 WeakPolarHBondContact CB-O 3.25Å; R315-T319 WeakPolarHBondContact CD-OG1 3.34Å; R315-T319 PolarHBondContact N-O 3.17Å; R315-T319 VanDerWaalsContact N-O 3.1Å; D317-T319 WeakPolarHBondContact OD1-CA 3.36Å; D317-T319 WeakPolarHBondContact OD1-CB 3.43Å; D317-T319 PolarHBondContact OD1-N 2.87Å; D317-T319 PolarHBondContact OD1-OG1 3.08Å; D317-T319 PolarHBondContact OD2-OG1 2.55Å
320	Y	91.9	Very high	88.4	Confident	4 Å²	4	51 Å²	51	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.4	-173.8	-59.4	-97.7	0	0	0	110.1	V278 L279 A281 G292 G293 D294 V296 V312 V313 D314	V278-Y320 WeakPolarHBondContact CA-O 3.48Å; L279-Y320 HydrophobicContact CD2-CD2 3.82Å; L279-Y320 PolarHBondContact N-O 2.77Å; L279-Y320 PolarHBondContact O-N 3.34Å; A281-Y320 HydrophobicContact CB-CD2 4.5Å; A281-Y320 HydrophobicContact CB-CE2 3.95Å; G292-Y320 WeakPolarHBondContact CA-OH 3.48Å; G293-Y320 PolarHBondContact N-OH 3.07Å; D294-Y320 WeakPolarHBondContact CB-OH 3.31Å; D294-Y320 PolarHBondContact N-OH 3.43Å; D294-Y320 WeakPolarHBondContact O-CE1 3.43Å; V296-Y320 HydrophobicContact CB-CD1 3.93Å; V296-Y320 HydrophobicContact CB-CE1 4.4Å; V296-Y320 HydrophobicContact CB-CG 4.03Å; V296-Y320 HydrophobicContact CG1-CG 4.24Å; V296-Y320 HydrophobicContact CG2-CD1 3.74Å; V296-Y320 HydrophobicContact CG2-CD2 3.73Å; V296-Y320 HydrophobicContact CG2-CE1 3.89Å; V296-Y320 HydrophobicContact CG2-CE2 3.89Å; V296-Y320 HydrophobicContact CG2-CG 3.67Å; V312-Y320 HydrophobicContact CG1-CD1 4.34Å; V313-Y320 WeakPolarHBondContact O-CA 3.08Å; D314-Y320 HydrophobicContact CB-CD1 3.97Å; D314-Y320 HydrophobicContact CB-CE1 3.81Å; D314-Y320 WeakPolarHBondContact OD2-CE1 3.26Å
321	T	92.8	Very high	88.1	Confident	22 Å²	22	54.6 Å²	54.6	14%	0.135	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.2	175.9	-47.6	0	0	0	0	109.1	T276 V312 V313 R315 T323	T276-T321 HydrophobicContact CG2-CG2 3.54Å; V312-T321 CarbonylContact C-O 3.48Å; V312-T321 VanDerWaalsContact CA-O 3.29Å; V312-T321 WeakPolarHBondContact CA-O 3.44Å; V313-T321 PolarHBondContact N-O 3.38Å; V313-T321 PolarHBondContact O-N 3.43Å; R315-T321 VanDerWaalsContact CZ-OG1 3.27Å; R315-T321 PolarHBondContact NE-OG1 3.15Å; R315-T321 PolarHBondContact NH2-OG1 2.74Å; R315-T321 VanDerWaalsContact NH2-OG1 3.12Å; T321-T323 HydrophobicContact CG2-CG2 3.81Å
322	C	91.3	Very high	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.2	177.5	-58.9	0	0	0	0	108.8	Y277 M310 H311 F336	Y277-C322 PolarHBondContact N-O 2.85Å; Y277-C322 PolarHBondContact O-N 3.12Å; M310-C322 VanDerWaalsContact CE-C 3.49Å; M310-C322 HydrophobicContact CE-CB 3.71Å; M310-C322 VanDerWaalsContact CE-O 3.29Å; M310-C322 WeakPolarHBondContact CE-O 3.46Å; M310-C322 HydrophobicContact SD-CB 3.95Å; H311-C322 CarbonylContact O-C 3.52Å; H311-C322 WeakPolarHBondContact O-CA 3.32Å; C322-F336 HydrophobicContact CB-CD1 4.41Å; C322-F336 HydrophobicContact CB-CE1 3.72Å
323	T	90.8	Very high	87.7	Confident	25 Å²	25	49.8 Å²	49.8	15%	0.153	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.6	-171.2	50	0	0	0	0	112.3	I275 T276 M310 H311 T321	I275-T323 VanDerWaalsContact O-CA 3.26Å; I275-T323 WeakPolarHBondContact O-CA 3.47Å; T276-T323 HydrophobicContact CG2-CG2 3.91Å; T276-T323 WeakPolarHBondContact OG1-CG2 3.22Å; M310-T323 WeakPolarHBondContact CA-O 3.34Å; H311-T323 PolarHBondContact N-O 3.06Å; H311-T323 PolarHBondContact O-N 3.49Å; H311-T323 PolarHBondContact O-OG1 3.19Å; H311-T323 VanDerWaalsContact O-OG1 3.13Å; T321-T323 HydrophobicContact CG2-CG2 3.81Å
324	F	89.3	Confident	87.5	Confident	17 Å²	17	46.7 Å²	46.7	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	169.2	167.4	81.8	-76.1	0	0	0	111.3	I275 I300 M310 P326 Y332 I334 L350	I275-F324 HydrophobicContact CB-CD1 3.83Å; I275-F324 HydrophobicContact CB-CE1 3.56Å; I275-F324 HydrophobicContact CB-CZ 4.14Å; I275-F324 HydrophobicContact CG1-CE1 4.09Å; I275-F324 HydrophobicContact CG1-CZ 4.16Å; I275-F324 HydrophobicContact CG2-CD1 4.09Å; I275-F324 HydrophobicContact CG2-CE1 3.52Å; I275-F324 HydrophobicContact CG2-CZ 4.27Å; I275-F324 PolarHBondContact N-O 3.31Å; I275-F324 PolarHBondContact O-N 3.43Å; I300-F324 HydrophobicContact CD1-CB 3.54Å; I300-F324 HydrophobicContact CD1-CD1 4.09Å; I300-F324 HydrophobicContact CD1-CD2 3.62Å; I300-F324 HydrophobicContact CD1-CE2 4.31Å; I300-F324 HydrophobicContact CD1-CG 3.48Å; I300-F324 VanDerWaalsContact CD1-CG 3.48Å; I300-F324 HydrophobicContact CG2-CE2 4.41Å; M310-F324 HydrophobicContact CE-CD1 3.71Å; M310-F324 HydrophobicContact CE-CE1 4.35Å; M310-F324 HydrophobicContact CG-CB 4.39Å; M310-F324 HydrophobicContact CG-CD1 4.47Å; F324-P326 HydrophobicContact CE2-CB 4Å; F324-P326 HydrophobicContact CE2-CG 4.47Å; F324-Y332 HydrophobicContact CE2-CD1 4.14Å; F324-Y332 HydrophobicContact CE2-CE1 4.15Å; F324-Y332 HydrophobicContact CZ-CD1 4.48Å; F324-I334 HydrophobicContact CE1-CD1 3.65Å; F324-I334 HydrophobicContact CZ-CD1 4.01Å; F324-L350 HydrophobicContact CE1-CD2 4.22Å; F324-L350 HydrophobicContact CZ-CD2 3.85Å
325	V	84.4	Confident	87.4	Confident	40 Å²	40	44 Å²	44	24%	0.242	22%	0.221	C	C	.	.			trans	-121.4	111.1	178.7	-179.4	0	0	0	0	109.6	D272 H274 K327	D272-V325 HydrophobicContact CB-CG1 4.44Å; H274-V325 WeakPolarHBondContact ND1-CG2 3.34Å; V325-K327 PolarHBondContact O-N 2.76Å
326	P	84	Confident	87.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.202	C	C	.	.			trans	-68.1	132.5	176.8	27.7	-32.5	0	0	0	110.5	D272 S273 I275 F324 Y332 I352	D272-P326 PolarHBondContact N-O 2.82Å; D272-P326 VanDerWaalsContact N-O 3.15Å; S273-P326 VanDerWaalsContact O-CD 3.31Å; S273-P326 WeakPolarHBondContact O-CD 3.45Å; I275-P326 HydrophobicContact CG1-CG 3.92Å; F324-P326 HydrophobicContact CE2-CB 4Å; F324-P326 HydrophobicContact CE2-CG 4.47Å; P326-Y332 HydrophobicContact CB-CE2 4.09Å; P326-I352 HydrophobicContact CB-CD1 4.39Å; P326-I352 HydrophobicContact CB-CG1 4.05Å; P326-I352 HydrophobicContact CG-CD1 4.1Å; P326-I352 HydrophobicContact CG-CG1 4.29Å
327	K	80.5	Confident	87.2	Confident	145 Å²	145	33.4 Å²	33.4	63%	0.63	17%	0.173	S	C	*	.			trans	-105.6	-6.8	-178	-61.5	-62	174.7	-173.5	0	114.1	L271 D272 V325 Y332	L271-K327 VanDerWaalsContact CD2-C 3.49Å; D272-K327 WeakPolarHBondContact OD1-CD 3.49Å; D272-K327 IonicContact OD1-NZ 3.32Å; D272-K327 PolarHBondContact OD1-NZ 3.13Å; V325-K327 PolarHBondContact O-N 2.76Å; K327-Y332 PolarHBondContact N-OH 3.35Å
328	M	83	Confident	87.2	Confident	67 Å²	67	30 Å²	30	33%	0.33	16%	0.155	S	C	.	.	S	Bend	trans	-147.9	157.3	178.4	62.7	-177.7	-56.8	0	0	111.3	L271 P303 N304 Y332	L271-M328 VanDerWaalsContact CD2-C 3.47Å; L271-M328 VanDerWaalsContact CD2-CA 3.49Å; L271-M328 VanDerWaalsContact CD2-N 3.32Å; P303-M328 HydrophobicContact CB-CE 4.07Å; P303-M328 HydrophobicContact CB-SD 4.3Å; P303-M328 HydrophobicContact CG-CG 4.09Å; P303-M328 HydrophobicContact CG-SD 4.33Å; N304-M328 HydrophobicContact CB-CE 4.13Å; N304-M328 HydrophobicContact CB-SD 3.99Å; M328-Y332 VanDerWaalsContact CG-OH 3.32Å; M328-Y332 WeakPolarHBondContact CG-OH 3.21Å; M328-Y332 PolarHBondContact N-OH 3.48Å; M328-Y332 VanDerWaalsContact O-CE2 3.31Å; M328-Y332 WeakPolarHBondContact O-CE2 3.48Å; M328-Y332 PolarHBondContact O-OH 3.4Å; M328-Y332 VanDerWaalsContact O-OH 3.13Å
329	E	78.2	Confident	86.7	Confident	102 Å²	102	33 Å²	33	48%	0.477	17%	0.166	S	C	.	.	S	Bend	trans	-76.6	158.6	174.1	-58.4	-170.5	162.4	0	0	111	L271 G354	L271-E329 HydrophobicContact CD1-CG 3.89Å; L271-E329 HydrophobicContact CG-CG 4.33Å; E329-G354 WeakPolarHBondContact OE1-CA 3.2Å; E329-G354 PolarHBondContact OE1-N 3.16Å
330	G	84.2	Confident	85.7	Confident	24 Å²	24	32.4 Å²	32.4	25%	0.247	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.6	-168	177.3	0	0	0	0	0	113.6	I352	G330-I352 PolarHBondContact N-O 2.83Å; G330-I352 PolarHBondContact O-N 2.9Å
331	D	85.6	Confident	85	Confident	89 Å²	89	37.4 Å²	37.4	48%	0.476	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.4	-175.3	-65.5	-31.7	0	0	0	111.5	P303 T351	P303-D331 WeakPolarHBondContact CA-O 3.37Å; D331-T351 VanDerWaalsContact OD1-CB 3.26Å; D331-T351 WeakPolarHBondContact OD1-CB 3.48Å; D331-T351 WeakPolarHBondContact OD1-CG2 3.34Å; D331-T351 PolarHBondContact OD1-OG1 3.01Å
332	Y	87.9	Confident	84.5	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.3	171.6	-73.5	-101.3	0	0	0	110.2	I300 Q301 C302 P303 F324 P326 K327 M328 L350 I352	I300-Y332 HydrophobicContact CG2-CD1 3.66Å; I300-Y332 HydrophobicContact CG2-CE1 4.25Å; Q301-Y332 WeakPolarHBondContact O-CA 3.4Å; C302-Y332 HydrophobicContact CB-CE1 4.06Å; P303-Y332 VanDerWaalsContact CD-CE2 3.45Å; P303-Y332 HydrophobicContact CG-CD2 3.74Å; P303-Y332 HydrophobicContact CG-CE1 4.49Å; P303-Y332 HydrophobicContact CG-CE2 3.5Å; P303-Y332 VanDerWaalsContact CG-CE2 3.5Å; P303-Y332 HydrophobicContact CG-CG 4.33Å; F324-Y332 HydrophobicContact CE2-CD1 4.14Å; F324-Y332 HydrophobicContact CE2-CE1 4.15Å; F324-Y332 HydrophobicContact CZ-CD1 4.48Å; P326-Y332 HydrophobicContact CB-CE2 4.09Å; K327-Y332 PolarHBondContact N-OH 3.35Å; M328-Y332 VanDerWaalsContact CG-OH 3.32Å; M328-Y332 WeakPolarHBondContact CG-OH 3.21Å; M328-Y332 PolarHBondContact N-OH 3.48Å; M328-Y332 VanDerWaalsContact O-CE2 3.31Å; M328-Y332 WeakPolarHBondContact O-CE2 3.48Å; M328-Y332 PolarHBondContact O-OH 3.4Å; M328-Y332 VanDerWaalsContact O-OH 3.13Å; Y332-L350 PolarHBondContact N-O 3.03Å; Y332-L350 PolarHBondContact O-N 2.79Å; Y332-I352 HydrophobicContact CD2-CG1 3.79Å; Y332-I352 HydrophobicContact CE2-CB 4.33Å; Y332-I352 HydrophobicContact CE2-CG1 3.79Å
333	Q	88.4	Confident	84	Confident	61 Å²	61	38.8 Å²	38.8	29%	0.285	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.6	169.2	-48.2	-163.3	-12.6	0	0	109.7	Q301 P347 M349	Q301-Q333 HydrophobicContact CB-CB 4.16Å; Q301-Q333 PolarHBondContact N-O 2.83Å; Q301-Q333 PolarHBondContact O-N 3.15Å; Q333-P347 HydrophobicContact CB-CB 4.09Å; Q333-P347 HydrophobicContact CB-CG 4.36Å; Q333-M349 HydrophobicContact CB-SD 4.25Å; Q333-M349 HydrophobicContact CG-CE 3.78Å; Q333-M349 HydrophobicContact CG-SD 3.67Å
334	I	89.3	Confident	83	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.2	-176	-49.2	173.1	0	0	0	109.3	Y277 L299 M310 F324 F336 P347 V348 L350	Y277-I334 HydrophobicContact CE2-CD1 3.74Å; L299-I334 WeakPolarHBondContact O-CA 3.42Å; M310-I334 HydrophobicContact SD-CG2 3.67Å; F324-I334 HydrophobicContact CE1-CD1 3.65Å; F324-I334 HydrophobicContact CZ-CD1 4.01Å; I334-F336 HydrophobicContact CB-CE2 4.2Å; I334-F336 HydrophobicContact CG2-CD2 4.18Å; I334-F336 HydrophobicContact CG2-CE1 4.25Å; I334-F336 HydrophobicContact CG2-CE2 3.53Å; I334-F336 HydrophobicContact CG2-CZ 3.57Å; I334-P347 WeakPolarHBondContact O-CA 3.33Å; I334-V348 HydrophobicContact CB-CB 4.39Å; I334-V348 PolarHBondContact N-O 3.18Å; I334-V348 PolarHBondContact O-N 3.3Å; I334-L350 HydrophobicContact CD1-CB 4.36Å; I334-L350 HydrophobicContact CD1-CD2 4.16Å
335	N	88.3	Confident	81.9	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.9	175	-70	-81.4	0	0	0	109.6	G298 L299 F337	G298-N335 CarbonylContact C-O 3.58Å; G298-N335 WeakPolarHBondContact CA-O 3.19Å; L299-N335 PolarHBondContact N-O 3.48Å; L299-N335 PolarHBondContact O-N 3.11Å; N335-F337 HydrophobicContact CB-CE2 3.7Å; N335-F337 HydrophobicContact CB-CZ 3.92Å; N335-F337 WeakPolarHBondContact O-CE2 3.44Å
336	F	89	Confident	81	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142	177.7	-65.5	-87.8	0	0	0	110.6	V255 Y277 L279 M310 C322 I334 S342 I343 V348	V255-F336 HydrophobicContact CB-CD2 4.29Å; V255-F336 HydrophobicContact CB-CE2 4.42Å; V255-F336 HydrophobicContact CG1-CD2 4.19Å; V255-F336 HydrophobicContact CG1-CE1 4.21Å; V255-F336 HydrophobicContact CG1-CE2 3.87Å; V255-F336 HydrophobicContact CG1-CZ 3.88Å; V255-F336 HydrophobicContact CG2-CB 3.92Å; V255-F336 HydrophobicContact CG2-CD1 4.09Å; V255-F336 HydrophobicContact CG2-CD2 3.84Å; V255-F336 HydrophobicContact CG2-CE2 4.37Å; V255-F336 HydrophobicContact CG2-CG 3.68Å; Y277-F336 HydrophobicContact CD1-CZ 4.25Å; Y277-F336 AromaticContact CD2-CZ 3.85Å; Y277-F336 HydrophobicContact CD2-CZ 3.85Å; Y277-F336 HydrophobicContact CE2-CZ 4.49Å; Y277-F336 HydrophobicContact CG-CE1 4.47Å; Y277-F336 HydrophobicContact CG-CE2 4.48Å; Y277-F336 AromaticContact CG-CZ 3.7Å; Y277-F336 HydrophobicContact CG-CZ 3.7Å; L279-F336 HydrophobicContact CD1-CB 4.24Å; L279-F336 HydrophobicContact CD1-CD1 4.42Å; M310-F336 HydrophobicContact CE-CE1 4.07Å; M310-F336 HydrophobicContact CE-CZ 4.15Å; M310-F336 HydrophobicContact SD-CD1 4.32Å; M310-F336 HydrophobicContact SD-CE1 3.44Å; M310-F336 WeakPolarHBondContact SD-CE1 3.47Å; M310-F336 HydrophobicContact SD-CZ 3.77Å; C322-F336 HydrophobicContact CB-CD1 4.41Å; C322-F336 HydrophobicContact CB-CE1 3.72Å; I334-F336 HydrophobicContact CB-CE2 4.2Å; I334-F336 HydrophobicContact CG2-CD2 4.18Å; I334-F336 HydrophobicContact CG2-CE1 4.25Å; I334-F336 HydrophobicContact CG2-CE2 3.53Å; I334-F336 HydrophobicContact CG2-CZ 3.57Å; F336-S342 WeakPolarHBondContact O-CA 3.32Å; F336-I343 HydrophobicContact CB-CD1 3.83Å; F336-I343 PolarHBondContact O-N 2.86Å; F336-V348 HydrophobicContact CD2-CG2 4.24Å; F336-V348 HydrophobicContact CE2-CB 4.39Å; F336-V348 HydrophobicContact CE2-CG2 3.97Å
337	F	86.4	Confident	80.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.3	-178.1	-55.9	-97.1	0	0	0	110.5	I42 P53 L66 V296 S297 L299 N335 G340 K341	I42-F337 HydrophobicContact CD1-CZ 4.17Å; I42-F337 HydrophobicContact CG1-CE1 4.4Å; I42-F337 HydrophobicContact CG1-CZ 4.4Å; P53-F337 HydrophobicContact CB-CD2 4.28Å; P53-F337 HydrophobicContact CB-CE2 4.37Å; P53-F337 HydrophobicContact CG-CB 4.4Å; P53-F337 HydrophobicContact CG-CD1 4.25Å; P53-F337 HydrophobicContact CG-CD2 3.69Å; P53-F337 HydrophobicContact CG-CE1 4.46Å; P53-F337 HydrophobicContact CG-CE2 3.96Å; P53-F337 HydrophobicContact CG-CG 3.86Å; P53-F337 HydrophobicContact CG-CZ 4.34Å; L66-F337 HydrophobicContact CD2-CE1 3.48Å; L66-F337 VanDerWaalsContact CD2-CE1 3.48Å; L66-F337 HydrophobicContact CD2-CZ 3.75Å; V296-F337 WeakPolarHBondContact CA-O 3.44Å; S297-F337 PolarHBondContact N-O 3.16Å; S297-F337 PolarHBondContact O-N 2.96Å; L299-F337 HydrophobicContact CB-CE2 3.86Å; N335-F337 HydrophobicContact CB-CE2 3.7Å; N335-F337 HydrophobicContact CB-CZ 3.92Å; N335-F337 WeakPolarHBondContact O-CE2 3.44Å; F337-G340 WeakPolarHBondContact CD1-O 3.22Å; F337-K341 WeakPolarHBondContact CA-O 3.45Å
338	V	85.7	Confident	81	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.7	165.2	168.9	0	0	0	0	106.7	A248 P250 L279 V296 G340 K341 I343	A248-V338 HydrophobicContact CB-CG1 3.54Å; P250-V338 HydrophobicContact CB-CB 4.06Å; P250-V338 HydrophobicContact CB-CG1 4.49Å; P250-V338 HydrophobicContact CG-CB 4Å; P250-V338 HydrophobicContact CG-CG1 3.98Å; P250-V338 WeakPolarHBondContact CG-O 3.17Å; L279-V338 HydrophobicContact CD1-CG2 4Å; L279-V338 HydrophobicContact CD2-CG2 3.72Å; L279-V338 HydrophobicContact CG-CG2 4.4Å; V296-V338 HydrophobicContact CG2-CG2 4.05Å; V338-G340 PolarHBondContact O-N 3.16Å; V338-G340 VanDerWaalsContact O-N 3.12Å; V338-K341 PolarHBondContact N-O 3.5Å; V338-K341 PolarHBondContact O-N 3.08Å; V338-I343 HydrophobicContact CB-CD1 4.22Å; V338-I343 HydrophobicContact CB-CG1 4.27Å; V338-I343 HydrophobicContact CG2-CD1 3.41Å; V338-I343 VanDerWaalsContact CG2-CD1 3.41Å; V338-I343 HydrophobicContact CG2-CG1 3.97Å
339	R	76.8	Confident	81	Confident	64 Å²	64	39.9 Å²	39.9	24%	0.242	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.7	-177.8	-58.8	176.2	64.9	-169.5	3.8	110.2	Y39 V295 K341	Y39-R339 VanDerWaalsContact CB-O 3.31Å; Y39-R339 WeakPolarHBondContact CB-O 3.24Å; Y39-R339 HydrophobicContact CD2-CB 3.84Å; Y39-R339 HydrophobicContact CE2-CB 4.08Å; Y39-R339 PolarHBondContact OH-NH2 3.38Å; Y39-R339 VanDerWaalsContact OH-NH2 3.17Å; V295-R339 PolarHBondContact O-N 2.82Å; R339-K341 PolarHBondContact O-N 3.05Å
340	G	71	Confident	81.2	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.031	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-8.7	179	0	0	0	0	0	117.3	Y39 H41 F337 V338	Y39-G340 VanDerWaalsContact O-CA 3.24Å; Y39-G340 WeakPolarHBondContact O-CA 3.11Å; H41-G340 WeakPolarHBondContact CB-O 3.4Å; H41-G340 VanDerWaalsContact CD2-C 3.5Å; H41-G340 PolarHBondContact CD2-O 3.33Å; F337-G340 WeakPolarHBondContact CD1-O 3.22Å; V338-G340 PolarHBondContact O-N 3.16Å; V338-G340 VanDerWaalsContact O-N 3.12Å
341	K	78.9	Confident	80.9	Confident	109 Å²	109	35.6 Å²	35.6	47%	0.474	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.2	176.2	-66.9	-175.1	179.7	-179.5	0	110.6	P250 F337 V338 R339	P250-K341 HydrophobicContact CB-CB 3.74Å; P250-K341 HydrophobicContact CG-CB 3.83Å; P250-K341 HydrophobicContact CG-CD 4.27Å; P250-K341 HydrophobicContact CG-CG 4.47Å; F337-K341 WeakPolarHBondContact CA-O 3.45Å; V338-K341 PolarHBondContact N-O 3.5Å; V338-K341 PolarHBondContact O-N 3.08Å; R339-K341 PolarHBondContact O-N 3.05Å
342	S	81	Confident	80.3	Confident	37 Å²	37	31.5 Å²	31.5	26%	0.259	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.9	175.5	-170.1	0	0	0	0	110.7	F336	F336-S342 WeakPolarHBondContact O-CA 3.32Å
343	I	81.3	Confident	79.3	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.067	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-95.3	134.7	-179.6	-57.8	168.6	0	0	0	109.9	S253 V255 L279 F336 V338	S253-I343 VanDerWaalsContact C-CG2 3.49Å; S253-I343 WeakPolarHBondContact O-CG2 3.42Å; V255-I343 HydrophobicContact CG2-CD1 4.44Å; L279-I343 HydrophobicContact CD1-CD1 3.2Å; L279-I343 HydrophobicContact CD2-CD1 4.46Å; L279-I343 HydrophobicContact CG-CD1 3.93Å; F336-I343 HydrophobicContact CB-CD1 3.83Å; F336-I343 PolarHBondContact O-N 2.86Å; V338-I343 HydrophobicContact CB-CD1 4.22Å; V338-I343 HydrophobicContact CB-CG1 4.27Å; V338-I343 HydrophobicContact CG2-CD1 3.41Å; V338-I343 VanDerWaalsContact CG2-CD1 3.41Å; V338-I343 HydrophobicContact CG2-CG1 3.97Å
344	G	69.2	Low	77.8	Confident	52 Å²	52	35.1 Å²	35.1	54%	0.536	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-150	172.1	0	0	0	0	0	115.2	G346	G344-G346 VanDerWaalsContact C-N 3.3Å; G344-G346 PolarHBondContact O-N 3.03Å
345	D	65.8	Low	76.6	Confident	144 Å²	144	36.6 Å²	36.6	77%	0.77	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	20.1	-175.5	-76.5	-33.5	0	0	0	114.9	R70	R70-D345 PolarHBondContact NH1-O 3.11Å
346	G	65.8	Low	75.8	Confident	14 Å²	14	38.8 Å²	38.8	14%	0.144	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-46.9	158.9	-175.3	0	0	0	0	0	115.7	R70 G344	R70-G346 PolarHBondContact NH1-O 3.3Å; G344-G346 VanDerWaalsContact C-N 3.3Å; G344-G346 PolarHBondContact O-N 3.03Å
347	P	81	Confident	75.1	Confident	39 Å²	39	42.3 Å²	42.3	25%	0.253	25%	0.249	S	C	.	.	P	Polyproline II helix	cis	-86.7	154	19.7	30.7	-34.9	0	0	0	115.3	Q333 I334 M349	Q333-P347 HydrophobicContact CB-CB 4.09Å; Q333-P347 HydrophobicContact CB-CG 4.36Å; I334-P347 WeakPolarHBondContact O-CA 3.33Å; P347-M349 HydrophobicContact CG-SD 4.25Å; P347-M349 PolarHBondContact O-N 2.9Å
348	V	83.5	Confident	75	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.073	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122	164.8	179.2	0	0	0	0	108.2	Y277 I334 F336	Y277-V348 HydrophobicContact CE1-CG1 4.18Å; I334-V348 HydrophobicContact CB-CB 4.39Å; I334-V348 PolarHBondContact N-O 3.18Å; I334-V348 PolarHBondContact O-N 3.3Å; F336-V348 HydrophobicContact CD2-CG2 4.24Å; F336-V348 HydrophobicContact CE2-CB 4.39Å; F336-V348 HydrophobicContact CE2-CG2 3.97Å
349	M	83.5	Confident	74.8	Confident	58 Å²	58	51.1 Å²	51.1	29%	0.286	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.5	177.4	-61.6	-58.8	-57.4	0	0	109.9	Q333 P347	Q333-M349 HydrophobicContact CB-SD 4.25Å; Q333-M349 HydrophobicContact CG-CE 3.78Å; Q333-M349 HydrophobicContact CG-SD 3.67Å; P347-M349 HydrophobicContact CG-SD 4.25Å; P347-M349 PolarHBondContact O-N 2.9Å
350	L	81.7	Confident	74.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.9	178.2	175.9	66.7	0	0	0	109.9	V264 I269 I275 F324 Y332 I334 I352	V264-L350 HydrophobicContact CG1-CD1 4.39Å; I269-L350 HydrophobicContact CD1-CD1 3.92Å; I275-L350 HydrophobicContact CG1-CD2 4.39Å; I275-L350 HydrophobicContact CG2-CD2 4.05Å; F324-L350 HydrophobicContact CE1-CD2 4.22Å; F324-L350 HydrophobicContact CZ-CD2 3.85Å; Y332-L350 PolarHBondContact N-O 3.03Å; Y332-L350 PolarHBondContact O-N 2.79Å; I334-L350 HydrophobicContact CD1-CB 4.36Å; I334-L350 HydrophobicContact CD1-CD2 4.16Å; L350-I352 HydrophobicContact CD1-CD1 4.3Å; L350-I352 HydrophobicContact CD2-CD1 3.91Å; L350-I352 HydrophobicContact CG-CD1 3.93Å; L350-I352 HydrophobicContact CG-CG1 4.43Å
351	T	78.3	Confident	74.9	Confident	35 Å²	35	54.3 Å²	54.3	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120	174.7	-54.6	0	0	0	0	109.3	D331 K353	D331-T351 VanDerWaalsContact OD1-CB 3.26Å; D331-T351 WeakPolarHBondContact OD1-CB 3.48Å; D331-T351 WeakPolarHBondContact OD1-CG2 3.34Å; D331-T351 PolarHBondContact OD1-OG1 3.01Å; T351-K353 HydrophobicContact CG2-CG 4.08Å
352	I	73.9	Confident	74.2	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.7	173	-57.5	-62.1	0	0	0	108.3	I269 P326 G330 Y332 L350	I269-I352 HydrophobicContact CB-CD1 3.96Å; I269-I352 HydrophobicContact CD1-CD1 4.29Å; I269-I352 HydrophobicContact CG1-CD1 4.5Å; I269-I352 WeakPolarHBondContact O-CG2 3.47Å; P326-I352 HydrophobicContact CB-CD1 4.39Å; P326-I352 HydrophobicContact CB-CG1 4.05Å; P326-I352 HydrophobicContact CG-CD1 4.1Å; P326-I352 HydrophobicContact CG-CG1 4.29Å; G330-I352 PolarHBondContact N-O 2.83Å; G330-I352 PolarHBondContact O-N 2.9Å; Y332-I352 HydrophobicContact CD2-CG1 3.79Å; Y332-I352 HydrophobicContact CE2-CB 4.33Å; Y332-I352 HydrophobicContact CE2-CG1 3.79Å; L350-I352 HydrophobicContact CD1-CD1 4.3Å; L350-I352 HydrophobicContact CD2-CD1 3.91Å; L350-I352 HydrophobicContact CG-CD1 3.93Å; L350-I352 HydrophobicContact CG-CG1 4.43Å
353	K	66.9	Low	73.6	Confident	112 Å²	112	51.9 Å²	51.9	49%	0.487	32%	0.322	S	S	.	.			trans	-118.5	147.9	171.1	-64.9	-172.8	178	-177.5	0	108.6	I269 T351	I269-K353 VanDerWaalsContact O-O 3.07Å; T351-K353 HydrophobicContact CG2-CG 4.08Å
354	G	57.1	Low	73.5	Confident	29 Å²	29	59.1 Å²	59.1	30%	0.299	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-46.5	145.4	172.6	0	0	0	0	0	112.8	E329	E329-G354 WeakPolarHBondContact OE1-CA 3.2Å; E329-G354 PolarHBondContact OE1-N 3.16Å
355	G	62.7	Low	74.2	Confident	31 Å²	31	59.9 Å²	59.9	32%	0.32	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.8	171.5	179.3	0	0	0	0	0	113.2	C357	G355-C357 PolarHBondContact O-N 2.81Å
356	R	73	Confident	75.3	Confident	51 Å²	51	59.6 Å²	59.6	19%	0.192	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-61.4	129.3	177.6	-64.5	175.6	-176.8	178.8	-3.2	109.3	Y358 D577 T626 A627 G629	R356-Y358 HydrophobicContact CB-CE1 4.37Å; R356-Y358 HydrophobicContact CB-CE2 3.91Å; R356-Y358 WeakPolarHBondContact CD-OH 3.37Å; R356-Y358 PolarHBondContact NH1-OH 3.26Å; R356-D577 IonicContact NH1-OD2 3.52Å; R356-D577 PolarHBondContact NH1-OD2 3.5Å; R356-T626 PolarHBondContact NH2-O 3.28Å; R356-T626 VanDerWaalsContact NH2-O 3.08Å; R356-A627 PolarHBondContact NH2-O 3.4Å; R356-G629 VanDerWaalsContact CZ-CA 3.42Å
357	C	74.3	Confident	76.5	Confident	83 Å²	83	61.6 Å²	61.6	56%	0.561	35%	0.345	S	S	*	.			trans	-104.4	95.3	178.7	-173.1	0	0	0	0	110.3	G355 R359 S360	G355-C357 PolarHBondContact O-N 2.81Å; C357-R359 VanDerWaalsContact C-N 3.28Å; C357-R359 PolarHBondContact O-N 3.09Å; C357-S360 PolarHBondContact O-OG 2.87Å; C357-S360 VanDerWaalsContact O-OG 3.11Å
358	Y	84.2	Confident	77.1	Confident	9 Å²	9	62.4 Å²	62.4	4%	0.035	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-75.4	-14.6	-179.4	-62.9	-64.5	0	0	0	114.1	R356 S360 I361 D577 N581 F583 I594 T603 I631	R356-Y358 HydrophobicContact CB-CE1 4.37Å; R356-Y358 HydrophobicContact CB-CE2 3.91Å; R356-Y358 WeakPolarHBondContact CD-OH 3.37Å; R356-Y358 PolarHBondContact NH1-OH 3.26Å; Y358-S360 PolarHBondContact O-N 2.83Å; Y358-S360 VanDerWaalsContact O-N 3.09Å; Y358-I361 HydrophobicContact CD1-CD1 3.54Å; Y358-I361 HydrophobicContact CD1-CG1 4.32Å; Y358-I361 HydrophobicContact CE1-CD1 4.2Å; Y358-I361 PolarHBondContact O-N 2.92Å; Y358-I361 VanDerWaalsContact O-N 3.17Å; Y358-D577 WeakPolarHBondContact CE2-OD2 3.45Å; Y358-D577 PolarHBondContact OH-OD2 3.03Å; Y358-N581 HydrophobicContact CD2-CB 4.3Å; Y358-N581 HydrophobicContact CE2-CB 3.81Å; Y358-F583 HydrophobicContact CD1-CE1 4.4Å; Y358-F583 HydrophobicContact CD1-CZ 4.32Å; Y358-F583 HydrophobicContact CD2-CZ 4.09Å; Y358-F583 HydrophobicContact CE1-CE1 4.23Å; Y358-F583 AromaticContact CE1-CZ 3.85Å; Y358-F583 HydrophobicContact CE1-CZ 3.85Å; Y358-F583 HydrophobicContact CE2-CE1 4.48Å; Y358-F583 HydrophobicContact CE2-CE2 4.36Å; Y358-F583 AromaticContact CE2-CZ 3.59Å; Y358-F583 HydrophobicContact CE2-CZ 3.59Å; Y358-F583 HydrophobicContact CG-CZ 4.42Å; Y358-F583 AromaticContact CZ-CZ 3.45Å; Y358-F583 VanDerWaalsContact CZ-CZ 3.45Å; Y358-I594 HydrophobicContact CD1-CD1 4.41Å; Y358-I594 HydrophobicContact CD2-CG2 3.9Å; Y358-I594 HydrophobicContact CG-CD1 4.14Å; Y358-I594 HydrophobicContact CG-CG2 4.16Å; Y358-T603 WeakPolarHBondContact O-CG2 3.4Å; Y358-I631 HydrophobicContact CD1-CD1 4.25Å; Y358-I631 HydrophobicContact CE1-CD1 4.24Å
359	R	80.5	Confident	77.8	Confident	175 Å²	175	62.7 Å²	62.7	66%	0.66	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-58.1	-25.6	177	-71.2	-175.7	-152.5	-97.7	-1.5	113	C357 V602	C357-R359 VanDerWaalsContact C-N 3.28Å; C357-R359 PolarHBondContact O-N 3.09Å; R359-V602 HydrophobicContact CG-CG1 3.91Å
360	S	75	Confident	78.4	Confident	96 Å²	96	61.3 Å²	61.3	67%	0.671	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-93.5	-0.6	-177.5	58.9	0	0	0	0	115	C357 Y358 G362	C357-S360 PolarHBondContact O-OG 2.87Å; C357-S360 VanDerWaalsContact O-OG 3.11Å; Y358-S360 PolarHBondContact O-N 2.83Å; Y358-S360 VanDerWaalsContact O-N 3.09Å; S360-G362 PolarHBondContact O-N 2.84Å
361	I	75.4	Confident	79.1	Confident	39 Å²	39	64 Å²	64	20%	0.2	37%	0.367	C	S	.	.	S	Bend	trans	-58	-18.9	-175.7	-83.9	-169.6	0	0	0	113.3	Y358 I605 I631 F644	Y358-I361 HydrophobicContact CD1-CD1 3.54Å; Y358-I361 HydrophobicContact CD1-CG1 4.32Å; Y358-I361 HydrophobicContact CE1-CD1 4.2Å; Y358-I361 PolarHBondContact O-N 2.92Å; Y358-I361 VanDerWaalsContact O-N 3.17Å; I361-I605 HydrophobicContact CB-CG2 4.41Å; I361-I605 HydrophobicContact CG2-CG2 3.66Å; I361-I631 HydrophobicContact CD1-CD1 3.37Å; I361-I631 HydrophobicContact CD1-CG1 4.41Å; I361-F644 HydrophobicContact CG2-CB 4.12Å; I361-F644 HydrophobicContact CG2-CD1 4.3Å
362	G	63.3	Low	80	Confident	48 Å²	48	68 Å²	68	50%	0.495	38%	0.383	S	S	.	.			trans	67	172.3	179.6	0	0	0	0	0	111.9	S360 Q364	S360-G362 PolarHBondContact O-N 2.84Å; G362-Q364 VanDerWaalsContact C-N 3.33Å
363	G	68.9	Low	81.2	Confident	46 Å²	46	68.9 Å²	68.9	47%	0.474	39%	0.392	S	S	.	.	S	Bend	trans	-86.1	2.6	-175.8	0	0	0	0	0	114.8	L616	G363-L616 WeakPolarHBondContact O-CD2 3.25Å
364	Q	78.9	Confident	82.6	Confident	165 Å²	165	67 Å²	67	77%	0.771	39%	0.393	S	S	*	.			trans	-113.1	135.7	-173.4	-70	-177.4	-5.6	0	0	110.7	G362	G362-Q364 VanDerWaalsContact C-N 3.33Å
365	Y	85.6	Confident	84.6	Confident	69 Å²	69	70.5 Å²	70.5	27%	0.271	41%	0.405	S	S	.	.			trans	-79.1	148.9	170.4	58.4	-100.6	0	0	0	109.9	L367 L616 R640 L642 V643	Y365-L367 WeakPolarHBondContact CD2-O 3.43Å; Y365-L616 HydrophobicContact CD1-CD1 4.08Å; Y365-L616 HydrophobicContact CD1-CD2 4.2Å; Y365-L616 HydrophobicContact CD1-CG 4.15Å; Y365-L616 HydrophobicContact CE1-CD1 3.68Å; Y365-L616 HydrophobicContact CE1-CG 4.14Å; Y365-R640 PolarHBondContact OH-NH1 2.86Å; Y365-L642 HydrophobicContact CD1-CD1 4.2Å; Y365-L642 HydrophobicContact CD1-CD2 3.88Å; Y365-L642 HydrophobicContact CD2-CD2 4.18Å; Y365-L642 HydrophobicContact CE1-CD2 3.88Å; Y365-L642 HydrophobicContact CE2-CD2 4.19Å; Y365-L642 HydrophobicContact CG-CD2 4.03Å; Y365-V643 CarbonylContact C-O 3.51Å; Y365-V643 WeakPolarHBondContact CA-O 3.25Å; Y365-V643 WeakPolarHBondContact CB-O 3.34Å
366	M	87.3	Confident	86.3	Confident	138 Å²	138	72.9 Å²	72.9	68%	0.68	41%	0.411	S	S	*	.	S	Bend	trans	-72.1	-45	178.8	-63.8	-178.3	63.7	0	0	112	V643	M366-V643 PolarHBondContact N-O 2.88Å
367	L	91.5	Very high	87.4	Confident	56 Å²	56	72.1 Å²	72.1	29%	0.293	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158	178	70.8	89.2	0	0	0	111.1	Y365 F369 V643	Y365-L367 WeakPolarHBondContact CD2-O 3.43Å; L367-F369 HydrophobicContact CD1-CD1 3.59Å; L367-F369 HydrophobicContact CD1-CE1 4.3Å; L367-F369 HydrophobicContact CD1-CG 4.49Å; L367-V643 HydrophobicContact CD1-CB 4.17Å; L367-V643 HydrophobicContact CD1-CG2 3.48Å; L367-V643 VanDerWaalsContact CD1-CG2 3.48Å; L367-V643 HydrophobicContact CG-CB 3.92Å; L367-V643 HydrophobicContact CG-CG2 3.79Å; L367-V643 PolarHBondContact O-N 3.07Å
368	S	94.1	Very high	88.5	Confident	55 Å²	55	70.5 Å²	70.5	39%	0.385	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.4	170.5	65.4	0	0	0	0	109.2	I641 L642	S368-I641 VanDerWaalsContact CA-O 3.29Å; S368-I641 WeakPolarHBondContact CA-O 3.43Å; S368-L642 VanDerWaalsContact CB-CD2 3.45Å
369	F	97.3	Very high	89.2	Confident	19 Å²	19	70.1 Å²	70.1	8%	0.083	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	168.4	177.8	68	-82	0	0	0	111.3	L367 F406 G410 F632 R640 I641 V643	L367-F369 HydrophobicContact CD1-CD1 3.59Å; L367-F369 HydrophobicContact CD1-CE1 4.3Å; L367-F369 HydrophobicContact CD1-CG 4.49Å; F369-F406 HydrophobicContact CD2-CD1 4.07Å; F369-F406 HydrophobicContact CD2-CE1 4.26Å; F369-F406 HydrophobicContact CD2-CG 4.44Å; F369-F406 HydrophobicContact CE2-CB 4.2Å; F369-F406 AromaticContact CE2-CD1 3.82Å; F369-F406 HydrophobicContact CE2-CD1 3.82Å; F369-F406 HydrophobicContact CE2-CD2 4.01Å; F369-F406 HydrophobicContact CE2-CE1 4.2Å; F369-F406 HydrophobicContact CE2-CE2 4.36Å; F369-F406 AromaticContact CE2-CG 3.74Å; F369-F406 HydrophobicContact CE2-CG 3.74Å; F369-F406 HydrophobicContact CE2-CZ 4.46Å; F369-G410 WeakPolarHBondContact CD2-O 3.36Å; F369-F632 HydrophobicContact CE1-CD1 4.01Å; F369-F632 AromaticContact CE1-CE1 3.93Å; F369-F632 HydrophobicContact CE1-CE1 3.93Å; F369-F632 HydrophobicContact CZ-CD1 4.28Å; F369-F632 HydrophobicContact CZ-CE1 4.31Å; F369-R640 WeakPolarHBondContact O-CB 3.45Å; F369-I641 HydrophobicContact CD1-CB 4.04Å; F369-I641 HydrophobicContact CD1-CG2 4.35Å; F369-I641 HydrophobicContact CD2-CB 4.42Å; F369-I641 HydrophobicContact CE1-CB 3.57Å; F369-I641 HydrophobicContact CE1-CG1 4.43Å; F369-I641 HydrophobicContact CE1-CG2 3.49Å; F369-I641 VanDerWaalsContact CE1-CG2 3.49Å; F369-I641 HydrophobicContact CE2-CB 3.97Å; F369-I641 HydrophobicContact CE2-CG1 3.98Å; F369-I641 HydrophobicContact CE2-CG2 4.45Å; F369-I641 HydrophobicContact CG-CB 4.46Å; F369-I641 HydrophobicContact CZ-CB 3.53Å; F369-I641 HydrophobicContact CZ-CG1 3.89Å; F369-I641 HydrophobicContact CZ-CG2 3.55Å; F369-I641 PolarHBondContact N-O 3.2Å; F369-I641 PolarHBondContact O-N 3.35Å; F369-V643 HydrophobicContact CD1-CG2 4.28Å; F369-V643 HydrophobicContact CE1-CG2 3.91Å
370	C	97.2	Very high	90.1	Very high	28 Å²	28	65.2 Å²	65.2	19%	0.189	38%	0.38	C	S	.	.			trans	67	160.4	-165.6	-59.1	0	0	0	0	115.5	A377 L379 F406	C370-A377 WeakPolarHBondContact CA-O 3.39Å; C370-A377 VanDerWaalsContact CB-O 3.29Å; C370-A377 WeakPolarHBondContact CB-O 3.33Å; C370-A377 PolarHBondContact SG-O 2.7Å; C370-L379 HydrophobicContact CB-CD1 3.62Å; C370-L379 HydrophobicContact CB-CG 3.82Å; C370-F406 WeakPolarHBondContact SG-CZ 3.39Å
371	S	95.5	Very high	91.1	Very high	59 Å²	59	65.5 Å²	65.5	41%	0.413	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	168.5	173.9	58.5	0	0	0	0	109.6	G373 Q378 L379 N639	S371-G373 PolarHBondContact O-N 3.47Å; S371-Q378 CarbonylContact O-C 3.37Å; S371-Q378 WeakPolarHBondContact O-CA 3.37Å; S371-Q378 WeakPolarHBondContact O-CB 3.16Å; S371-L379 PolarHBondContact O-N 2.98Å; S371-N639 CarbonylContact C-O 3.42Å
372	Q	98.1	Very high	92.2	Very high	119 Å²	119	63.7 Å²	63.7	56%	0.556	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	128.5	177.4	-172.7	177.2	-31.2	0	0	111.7	L379 Y380 N639	Q372-L379 CarbonylContact C-O 3.53Å; Q372-L379 VanDerWaalsContact CA-O 3.27Å; Q372-L379 WeakPolarHBondContact CA-O 3.19Å; Q372-Y380 HydrophobicContact CG-CD2 3.98Å; Q372-Y380 HydrophobicContact CG-CE2 4.39Å; Q372-N639 HydrophobicContact CB-CB 3.88Å; Q372-N639 HydrophobicContact CG-CB 4.29Å; Q372-N639 PolarHBondContact OE1-ND2 2.66Å
373	G	97.9	Very high	93.9	Very high	20 Å²	20	61.5 Å²	61.5	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	158.3	-167.7	171.9	0	0	0	0	0	113.6	S371 L379 N400	S371-G373 PolarHBondContact O-N 3.47Å; G373-L379 PolarHBondContact N-O 2.96Å; G373-L379 CarbonylContact O-C 3.54Å; G373-N400 PolarHBondContact O-ND2 3.27Å
374	S	97.6	Very high	95.3	Very high	71 Å²	71	59.3 Å²	59.3	50%	0.497	31%	0.311	S	S	.	.	S	Bend	trans	-119.9	-3.5	-175.5	59.2	0	0	0	0	113.8	R402	S374-R402 PolarHBondContact O-NH1 3.04Å; S374-R402 PolarHBondContact O-NH2 2.9Å
375	N	98.3	Very high	96.2	Very high	104 Å²	104	51.7 Å²	51.7	56%	0.556	28%	0.275	S	S	*	.	S	Bend	trans	-78.3	177.2	176.4	-60.4	-35.9	0	0	0	111.4	Q378 R402	N375-Q378 HydrophobicContact CB-CG 4.26Å; N375-Q378 VanDerWaalsContact CB-OE1 3.29Å; N375-Q378 PolarHBondContact ND2-OE1 2.79Å; N375-Q378 WeakPolarHBondContact O-CB 3.15Å; N375-Q378 PolarHBondContact O-N 2.93Å; N375-Q378 VanDerWaalsContact O-N 3.11Å; N375-R402 PolarHBondContact O-NH2 3.04Å
376	D	97.9	Very high	96.9	Very high	81 Å²	81	49.6 Å²	49.6	43%	0.433	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	142.9	172.9	-65.4	-18.1	0	0	0	110.6	Q378 F412 K415	D376-Q378 PolarHBondContact O-N 2.91Å; D376-F412 HydrophobicContact CB-CD1 3.95Å; D376-F412 HydrophobicContact CB-CD2 4.39Å; D376-F412 HydrophobicContact CB-CE1 3.79Å; D376-F412 HydrophobicContact CB-CE2 4.24Å; D376-F412 HydrophobicContact CB-CG 4.24Å; D376-F412 HydrophobicContact CB-CZ 3.94Å; D376-K415 VanDerWaalsContact OD1-CD 3.24Å; D376-K415 WeakPolarHBondContact OD1-CD 3.43Å; D376-K415 WeakPolarHBondContact OD1-CE 3.46Å; D376-K415 IonicContact OD1-NZ 3.14Å; D376-K415 PolarHBondContact OD1-NZ 2.86Å
377	A	96.3	Very high	97.3	Very high	34 Å²	34	44.1 Å²	44.1	28%	0.281	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	8	-172.2	0	0	0	0	0	115.3	C370 Q404 F406 F412	C370-A377 WeakPolarHBondContact CA-O 3.39Å; C370-A377 VanDerWaalsContact CB-O 3.29Å; C370-A377 WeakPolarHBondContact CB-O 3.33Å; C370-A377 PolarHBondContact SG-O 2.7Å; A377-Q404 VanDerWaalsContact N-OE1 3.16Å; A377-F406 HydrophobicContact CB-CE1 4.18Å; A377-F412 HydrophobicContact CB-CB 3.96Å
378	Q	98.4	Very high	97.5	Very high	50 Å²	50	41.7 Å²	41.7	23%	0.234	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145	169.8	-61.6	-176.8	-29.5	0	0	110.4	S371 N375 D376 R402 Q404	S371-Q378 CarbonylContact O-C 3.37Å; S371-Q378 WeakPolarHBondContact O-CA 3.37Å; S371-Q378 WeakPolarHBondContact O-CB 3.16Å; N375-Q378 HydrophobicContact CB-CG 4.26Å; N375-Q378 VanDerWaalsContact CB-OE1 3.29Å; N375-Q378 PolarHBondContact ND2-OE1 2.79Å; N375-Q378 WeakPolarHBondContact O-CB 3.15Å; N375-Q378 PolarHBondContact O-N 2.93Å; N375-Q378 VanDerWaalsContact O-N 3.11Å; D376-Q378 PolarHBondContact O-N 2.91Å; Q378-R402 PolarHBondContact O-NH2 3.08Å; Q378-Q404 PolarHBondContact O-NE2 2.88Å
379	L	98.3	Very high	97.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.3	-179.1	-62.2	172	0	0	0	110.3	C370 S371 Q372 G373 P382 V395 D397 I641	C370-L379 HydrophobicContact CB-CD1 3.62Å; C370-L379 HydrophobicContact CB-CG 3.82Å; S371-L379 PolarHBondContact O-N 2.98Å; Q372-L379 CarbonylContact C-O 3.53Å; Q372-L379 VanDerWaalsContact CA-O 3.27Å; Q372-L379 WeakPolarHBondContact CA-O 3.19Å; G373-L379 PolarHBondContact N-O 2.96Å; G373-L379 CarbonylContact O-C 3.54Å; L379-P382 HydrophobicContact CB-CB 4.23Å; L379-P382 HydrophobicContact CB-CG 3.97Å; L379-P382 HydrophobicContact CD1-CB 4.04Å; L379-P382 HydrophobicContact CD1-CG 3.93Å; L379-P382 HydrophobicContact CD2-CB 4.42Å; L379-P382 HydrophobicContact CG-CB 4.47Å; L379-P382 HydrophobicContact CG-CG 4.49Å; L379-V395 HydrophobicContact CD1-CG1 4.16Å; L379-V395 HydrophobicContact CD2-CG1 4.03Å; L379-D397 HydrophobicContact CD2-CB 3.84Å; L379-I641 HydrophobicContact CD1-CD1 3.99Å; L379-I641 HydrophobicContact CD1-CG1 3.96Å
380	Y	98.3	Very high	96.9	Very high	72 Å²	72	49.9 Å²	49.9	28%	0.282	26%	0.261	S	S	.	.	S	Bend	trans	-138.9	106.8	170.1	-168.4	-146.8	0	0	0	112.2	Q372 D397 T399	Q372-Y380 HydrophobicContact CG-CD2 3.98Å; Q372-Y380 HydrophobicContact CG-CE2 4.39Å; Y380-D397 PolarHBondContact N-OD1 3.25Å; Y380-T399 VanDerWaalsContact CD1-CB 3.5Å; Y380-T399 HydrophobicContact CD1-CG2 3.36Å; Y380-T399 HydrophobicContact CE1-CG2 3.54Å; Y380-T399 HydrophobicContact CG-CG2 4.3Å; Y380-T399 WeakPolarHBondContact O-CB 3.2Å; Y380-T399 PolarHBondContact O-N 2.86Å; Y380-T399 PolarHBondContact O-OG1 3.33Å
381	R	97.6	Very high	96.6	Very high	103 Å²	103	52.1 Å²	52.1	39%	0.389	27%	0.271	S	S	.	.	S	Bend	trans	51.3	52	-170.7	-59.3	-175.4	166.3	88.8	3.8	112.7	R398 T399 F636 N639	R381-R398 VanDerWaalsContact O-CB 3.22Å; R381-R398 WeakPolarHBondContact O-CB 3.17Å; R381-T399 WeakPolarHBondContact CB-OG1 3.46Å; R381-F636 HydrophobicContact CB-CD2 4.36Å; R381-F636 HydrophobicContact CB-CE2 3.54Å; R381-F636 HydrophobicContact CB-CZ 3.77Å; R381-F636 HydrophobicContact CG-CE2 4.14Å; R381-F636 HydrophobicContact CG-CZ 3.85Å; R381-N639 PolarHBondContact N-OD1 2.96Å
382	P	98.2	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.			trans	-57.3	150.5	178.2	29.4	-36.3	0	0	0	110.3	L379 V395 A396 V634 F636	L379-P382 HydrophobicContact CB-CB 4.23Å; L379-P382 HydrophobicContact CB-CG 3.97Å; L379-P382 HydrophobicContact CD1-CB 4.04Å; L379-P382 HydrophobicContact CD1-CG 3.93Å; L379-P382 HydrophobicContact CD2-CB 4.42Å; L379-P382 HydrophobicContact CG-CB 4.47Å; L379-P382 HydrophobicContact CG-CG 4.49Å; P382-V395 HydrophobicContact CB-CG1 3.98Å; P382-A396 VanDerWaalsContact CA-O 3.32Å; P382-A396 WeakPolarHBondContact CA-O 3.19Å; P382-V634 HydrophobicContact CB-CG1 3.9Å; P382-V634 HydrophobicContact CG-CG1 3.67Å; P382-F636 VanDerWaalsContact O-CD2 3.23Å; P382-F636 WeakPolarHBondContact O-CD2 3.49Å
383	W	98.4	Very high	96.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.011	23%	0.231	C	C	.	.			trans	-121.5	-70.3	177.2	-168	85.2	0	0	0	112.4	A396 T430 W477 D478 Q572 T621 D622 V634	W383-A396 PolarHBondContact N-O 3.15Å; W383-A396 VanDerWaalsContact N-O 3.09Å; W383-T430 HydrophobicContact CB-CG2 4.24Å; W383-T430 HydrophobicContact CG-CG2 4.37Å; W383-W477 AromaticContact CD1-NE1 3.76Å; W383-W477 AromaticContact CD2-NE1 3.5Å; W383-W477 AromaticContact CE2-CD1 3.54Å; W383-W477 AromaticContact CE2-NE1 2.91Å; W383-W477 AromaticContact CH2-CD1 3.58Å; W383-W477 AromaticContact CH2-NE1 3.88Å; W383-W477 AromaticContact CZ2-CD1 3.29Å; W383-W477 AromaticContact CZ2-NE1 3.14Å; W383-W477 AromaticContact NE1-CE2 3.86Å; W383-W477 AromaticContact NE1-NE1 3.07Å; W383-D478 HydrophobicContact CH2-CB 3.73Å; W383-D478 HydrophobicContact CZ3-CB 3.83Å; W383-D478 VanDerWaalsContact CZ3-CG 3.45Å; W383-D478 WeakPolarHBondContact CZ3-OD1 3.27Å; W383-Q572 HydrophobicContact CZ2-CB 4.39Å; W383-T621 PolarHBondContact O-OG1 3.19Å; W383-D622 WeakPolarHBondContact O-CB 3.39Å; W383-V634 WeakPolarHBondContact O-CG2 3.27Å
384	G	98.3	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.			trans	-87.9	146.8	-173.2	0	0	0	0	0	112.8	A396 T430 D622	G384-A396 PolarHBondContact O-N 3.27Å; G384-T430 VanDerWaalsContact CA-O 3.28Å; G384-T430 WeakPolarHBondContact CA-O 3.44Å; G384-T430 PolarHBondContact N-O 2.86Å; G384-T430 VanDerWaalsContact N-O 3.12Å; G384-D622 WeakPolarHBondContact CA-OD2 3.35Å
385	I	98.8	Very high	96.8	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.2	174.8	-168.2	163.7	0	0	0	110.5	I393 I394 V395 D622 C624 F632 V634 I641	I385-I393 HydrophobicContact CD1-CG2 3.66Å; I385-I393 HydrophobicContact CG1-CG2 3.8Å; I385-I394 CarbonylContact C-O 3.5Å; I385-I394 WeakPolarHBondContact CA-O 3.42Å; I385-V395 HydrophobicContact CD1-CG2 4.02Å; I385-V395 HydrophobicContact CG1-CG2 4.03Å; I385-D622 HydrophobicContact CG2-CB 4.11Å; I385-D622 PolarHBondContact N-OD2 3.4Å; I385-C624 HydrophobicContact CG2-CB 4.11Å; I385-F632 HydrophobicContact CD1-CB 3.78Å; I385-V634 HydrophobicContact CB-CG2 3.55Å; I385-V634 HydrophobicContact CD1-CG2 4.19Å; I385-V634 HydrophobicContact CG1-CG2 4.47Å; I385-V634 HydrophobicContact CG2-CG2 3.56Å; I385-I641 HydrophobicContact CD1-CD1 4.05Å; I385-I641 HydrophobicContact CD1-CG1 4.4Å; I385-I641 HydrophobicContact CD1-CG2 3.77Å
386	T	98.7	Very high	96.8	Very high	24 Å²	24	36 Å²	36	15%	0.147	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.4	172.2	-164.4	0	0	0	0	110.9	I394 V432 V434	T386-I394 HydrophobicContact CG2-CB 3.97Å; T386-I394 HydrophobicContact CG2-CD1 4.41Å; T386-I394 PolarHBondContact N-O 2.85Å; T386-I394 PolarHBondContact O-N 3.31Å; T386-V432 WeakPolarHBondContact CB-O 3.31Å; T386-V432 HydrophobicContact CG2-CG1 4.09Å; T386-V432 HydrophobicContact CG2-CG2 4.08Å; T386-V434 HydrophobicContact CG2-CG1 4.3Å
387	C	97.2	Very high	96.9	Very high	23 Å²	23	32.1 Å²	32.1	16%	0.155	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	172.1	-177.9	0	0	0	0	109.3	R392 I393 T626	C387-R392 WeakPolarHBondContact CA-O 3.33Å; C387-I393 HydrophobicContact CB-CD1 4.05Å; C387-T626 HydrophobicContact CB-CG2 4.07Å
388	D	95.5	Very high	97	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.032	14%	0.144	C	C	.	.			trans	-85.2	177.1	177.7	92.2	-18.8	0	0	0	112.8	L390 N391 R392 I394 V434 N438	D388-L390 PolarHBondContact O-N 2.64Å; D388-L390 VanDerWaalsContact OD1-C 3.31Å; D388-L390 VanDerWaalsContact OD1-CA 3.3Å; D388-L390 WeakPolarHBondContact OD1-CA 3.19Å; D388-L390 WeakPolarHBondContact OD1-CB 3.27Å; D388-L390 PolarHBondContact OD1-N 3.31Å; D388-N391 PolarHBondContact O-N 3.22Å; D388-N391 VanDerWaalsContact O-N 3.13Å; D388-N391 PolarHBondContact OD1-N 2.86Å; D388-R392 PolarHBondContact N-O 2.89Å; D388-R392 WeakPolarHBondContact OD1-CB 3.44Å; D388-R392 PolarHBondContact OD1-N 2.84Å; D388-R392 IonicContact OD1-NE 2.66Å; D388-R392 IonicContact OD2-CZ 3.37Å; D388-R392 IonicContact OD2-NE 2.83Å; D388-R392 PolarHBondContact OD2-NE 2.8Å; D388-R392 IonicContact OD2-NH2 3.72Å; D388-R392 PolarHBondContact OD2-NH2 2.95Å; D388-I394 HydrophobicContact CB-CD1 3.89Å; D388-V434 HydrophobicContact CB-CG1 3.93Å; D388-V434 HydrophobicContact CB-CG2 4.42Å; D388-N438 WeakPolarHBondContact CB-OD1 3.47Å; D388-N438 PolarHBondContact OD2-ND2 2.86Å
389	R	88.1	Confident	97	Very high	143 Å²	143	31.7 Å²	31.7	54%	0.54	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.7	-179.5	-72.9	-169.8	174	68.2	5.3	114.5	T435 T436 N438	R389-T435 PolarHBondContact NH1-O 3.45Å; R389-T436 VanDerWaalsContact CZ-CA 3.45Å; R389-T436 PolarHBondContact NH1-O 3.31Å; R389-N438 PolarHBondContact N-OD1 2.89Å; R389-N438 VanDerWaalsContact N-OD1 3.15Å
390	L	90.6	Very high	97	Very high	103 Å²	103	33.2 Å²	33.2	54%	0.539	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.9	176.7	-56.7	177.3	0	0	0	111.4	D388 R392	D388-L390 PolarHBondContact O-N 2.64Å; D388-L390 VanDerWaalsContact OD1-C 3.31Å; D388-L390 VanDerWaalsContact OD1-CA 3.3Å; D388-L390 WeakPolarHBondContact OD1-CA 3.19Å; D388-L390 WeakPolarHBondContact OD1-CB 3.27Å; D388-L390 PolarHBondContact OD1-N 3.31Å; L390-R392 HydrophobicContact CB-CG 4.13Å; L390-R392 PolarHBondContact O-N 3.37Å
391	N	91.2	Very high	97	Very high	74 Å²	74	31.7 Å²	31.7	40%	0.396	15%	0.147	S	C	.	.	S	Bend	trans	59.7	26.9	-173.9	-63.5	-39	0	0	0	114	D388	D388-N391 PolarHBondContact O-N 3.22Å; D388-N391 VanDerWaalsContact O-N 3.13Å; D388-N391 PolarHBondContact OD1-N 2.86Å
392	R	97	Very high	97	Very high	34 Å²	34	27.6 Å²	27.6	13%	0.128	13%	0.131	C	C	.	.			trans	-86.7	137.6	171.9	-55.1	-179.6	-60	163.4	10.5	109.4	C387 D388 L390 I405 F406 L413 Q455	C387-R392 WeakPolarHBondContact CA-O 3.33Å; D388-R392 PolarHBondContact N-O 2.89Å; D388-R392 WeakPolarHBondContact OD1-CB 3.44Å; D388-R392 PolarHBondContact OD1-N 2.84Å; D388-R392 IonicContact OD1-NE 2.66Å; D388-R392 IonicContact OD2-CZ 3.37Å; D388-R392 IonicContact OD2-NE 2.83Å; D388-R392 PolarHBondContact OD2-NE 2.8Å; D388-R392 IonicContact OD2-NH2 3.72Å; D388-R392 PolarHBondContact OD2-NH2 2.95Å; L390-R392 HydrophobicContact CB-CG 4.13Å; L390-R392 PolarHBondContact O-N 3.37Å; R392-I405 HydrophobicContact CB-CG2 3.71Å; R392-I405 HydrophobicContact CG-CG2 4.4Å; R392-F406 CarbonylContact C-O 3.58Å; R392-F406 VanDerWaalsContact CA-O 3.26Å; R392-F406 WeakPolarHBondContact CA-O 3.29Å; R392-L413 HydrophobicContact CG-CD1 4.05Å; R392-Q455 PolarHBondContact NH1-O 3.26Å; R392-Q455 VanDerWaalsContact NH1-O 3.07Å; R392-Q455 PolarHBondContact NH2-O 2.87Å
393	I	98.3	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.9	179.4	-52	-57.4	0	0	0	108.5	I385 C387 V395 I405 F406 T626 F632	I385-I393 HydrophobicContact CD1-CG2 3.66Å; I385-I393 HydrophobicContact CG1-CG2 3.8Å; C387-I393 HydrophobicContact CB-CD1 4.05Å; I393-V395 HydrophobicContact CG2-CG2 4.27Å; I393-I405 CarbonylContact O-C 3.56Å; I393-I405 WeakPolarHBondContact O-CA 3.17Å; I393-F406 HydrophobicContact CB-CB 4.34Å; I393-F406 PolarHBondContact N-O 2.92Å; I393-F406 PolarHBondContact O-N 2.8Å; I393-T626 HydrophobicContact CD1-CG2 4.13Å; I393-F632 HydrophobicContact CD1-CD1 4.17Å; I393-F632 HydrophobicContact CD1-CD2 3.97Å; I393-F632 HydrophobicContact CD1-CE1 3.98Å; I393-F632 HydrophobicContact CD1-CE2 3.77Å; I393-F632 HydrophobicContact CD1-CG 4.18Å; I393-F632 HydrophobicContact CD1-CZ 3.78Å; I393-F632 HydrophobicContact CG1-CD1 4.04Å; I393-F632 HydrophobicContact CG1-CE1 3.67Å; I393-F632 HydrophobicContact CG1-CE2 4.35Å; I393-F632 HydrophobicContact CG1-CZ 3.84Å; I393-F632 HydrophobicContact CG2-CD1 4.08Å; I393-F632 HydrophobicContact CG2-CE1 4.48Å
394	I	98.8	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.1	-175.2	-54	174.5	0	0	0	108.2	I385 T386 D388 I403 Q404 I405 V432 V434 I440	I385-I394 CarbonylContact C-O 3.5Å; I385-I394 WeakPolarHBondContact CA-O 3.42Å; T386-I394 HydrophobicContact CG2-CB 3.97Å; T386-I394 HydrophobicContact CG2-CD1 4.41Å; T386-I394 PolarHBondContact N-O 2.85Å; T386-I394 PolarHBondContact O-N 3.31Å; D388-I394 HydrophobicContact CB-CD1 3.89Å; I394-I403 HydrophobicContact CG2-CG2 3.36Å; I394-Q404 WeakPolarHBondContact CA-O 3.29Å; I394-I405 HydrophobicContact CG1-CG1 4.22Å; I394-I405 HydrophobicContact CG1-CG2 4.24Å; I394-I405 HydrophobicContact CG2-CG1 4.37Å; I394-V432 HydrophobicContact CB-CG2 4.49Å; I394-V432 HydrophobicContact CG2-CG2 3.72Å; I394-V434 HydrophobicContact CD1-CG1 3.85Å; I394-I440 HydrophobicContact CD1-CD1 3.88Å; I394-I440 HydrophobicContact CD1-CG1 3.94Å; I394-I440 HydrophobicContact CG2-CG2 4.35Å
395	V	98.8	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.3	-174.3	-176.4	0	0	0	0	110.3	L379 P382 I385 I393 D397 I403 Q404 F406 I641	L379-V395 HydrophobicContact CD1-CG1 4.16Å; L379-V395 HydrophobicContact CD2-CG1 4.03Å; P382-V395 HydrophobicContact CB-CG1 3.98Å; I385-V395 HydrophobicContact CD1-CG2 4.02Å; I385-V395 HydrophobicContact CG1-CG2 4.03Å; I393-V395 HydrophobicContact CG2-CG2 4.27Å; V395-D397 PolarHBondContact O-N 2.91Å; V395-I403 WeakPolarHBondContact O-CA 3.44Å; V395-Q404 PolarHBondContact N-O 3.24Å; V395-Q404 PolarHBondContact O-N 3.22Å; V395-F406 HydrophobicContact CB-CE2 4.3Å; V395-F406 HydrophobicContact CG2-CD2 4.11Å; V395-F406 HydrophobicContact CG2-CE2 4Å; V395-I641 HydrophobicContact CG1-CD1 4.27Å; V395-I641 HydrophobicContact CG2-CD1 4.3Å; V395-I641 HydrophobicContact CG2-CG1 4.32Å
396	A	98.8	Very high	97.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	105.3	170.3	0	0	0	0	0	111.1	P382 W383 G384 R398 I403 T430 V432	P382-A396 VanDerWaalsContact CA-O 3.32Å; P382-A396 WeakPolarHBondContact CA-O 3.19Å; W383-A396 PolarHBondContact N-O 3.15Å; W383-A396 VanDerWaalsContact N-O 3.09Å; G384-A396 PolarHBondContact O-N 3.27Å; A396-R398 VanDerWaalsContact C-N 3.34Å; A396-R398 PolarHBondContact O-N 3.19Å; A396-R398 VanDerWaalsContact O-N 3.1Å; A396-I403 HydrophobicContact CB-CD1 3.85Å; A396-T430 WeakPolarHBondContact CB-O 3.42Å; A396-V432 HydrophobicContact CB-CG1 4.38Å
397	D	98.5	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	75.1	-179.2	-172.4	6.7	0	0	0	110.3	L379 Y380 V395 T399 N400 H401 R402 Q404	L379-D397 HydrophobicContact CD2-CB 3.84Å; Y380-D397 PolarHBondContact N-OD1 3.25Å; V395-D397 PolarHBondContact O-N 2.91Å; D397-T399 PolarHBondContact O-N 3.11Å; D397-N400 HydrophobicContact CB-CB 4.48Å; D397-N400 VanDerWaalsContact CG-ND2 3.31Å; D397-N400 CarbonylContact O-C 3.6Å; D397-N400 PolarHBondContact O-N 3.34Å; D397-N400 VanDerWaalsContact O-N 3.11Å; D397-N400 PolarHBondContact OD1-ND2 2.69Å; D397-N400 VanDerWaalsContact OD1-ND2 3.14Å; D397-N400 WeakPolarHBondContact OD2-CB 3.37Å; D397-N400 PolarHBondContact OD2-ND2 3.22Å; D397-H401 PolarHBondContact O-N 3.48Å; D397-H401 VanDerWaalsContact O-N 3.15Å; D397-R402 WeakPolarHBondContact CA-O 3.38Å; D397-R402 HydrophobicContact CB-CG 3.83Å; D397-R402 WeakPolarHBondContact CB-O 3.2Å; D397-R402 PolarHBondContact N-O 3.14Å; D397-R402 PolarHBondContact O-N 3.25Å; D397-R402 IonicContact OD2-CZ 3.3Å; D397-R402 IonicContact OD2-NE 3.64Å; D397-R402 PolarHBondContact OD2-NE 3.46Å; D397-R402 IonicContact OD2-NH2 3Å; D397-R402 PolarHBondContact OD2-NH2 3.34Å; D397-R402 VanDerWaalsContact OD2-NH2 3.13Å; D397-Q404 PolarHBondContact OD2-NE2 2.96Å
398	R	98.5	Very high	96.6	Very high	41 Å²	41	27.7 Å²	27.7	16%	0.155	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-48.6	-54.2	-165.3	-174.8	-172.8	165.7	-134.8	-7.9	114.5	R381 A396 N400 H401 R428 P429 T430	R381-R398 VanDerWaalsContact O-CB 3.22Å; R381-R398 WeakPolarHBondContact O-CB 3.17Å; A396-R398 VanDerWaalsContact C-N 3.34Å; A396-R398 PolarHBondContact O-N 3.19Å; A396-R398 VanDerWaalsContact O-N 3.1Å; R398-N400 VanDerWaalsContact C-N 3.29Å; R398-N400 PolarHBondContact O-N 2.86Å; R398-H401 PolarHBondContact O-N 3.16Å; R398-R428 HydrophobicContact CG-CB 3.8Å; R398-R428 HydrophobicContact CG-CG 4.45Å; R398-R428 WeakPolarHBondContact O-CA 3.42Å; R398-P429 VanDerWaalsContact CA-O 3.31Å; R398-P429 WeakPolarHBondContact CA-O 3.44Å; R398-P429 VanDerWaalsContact CB-O 3.29Å; R398-P429 WeakPolarHBondContact CB-O 3.42Å; R398-P429 WeakPolarHBondContact CG-O 3.32Å; R398-T430 HydrophobicContact CG-CG2 4.24Å
399	T	98.2	Very high	96.5	Very high	35 Å²	35	32.2 Å²	32.2	22%	0.215	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-78.2	-19.1	-173.9	-47.6	0	0	0	0	112.3	Y380 R381 D397 H401	Y380-T399 VanDerWaalsContact CD1-CB 3.5Å; Y380-T399 HydrophobicContact CD1-CG2 3.36Å; Y380-T399 HydrophobicContact CE1-CG2 3.54Å; Y380-T399 HydrophobicContact CG-CG2 4.3Å; Y380-T399 WeakPolarHBondContact O-CB 3.2Å; Y380-T399 PolarHBondContact O-N 2.86Å; Y380-T399 PolarHBondContact O-OG1 3.33Å; R381-T399 WeakPolarHBondContact CB-OG1 3.46Å; D397-T399 PolarHBondContact O-N 3.11Å; T399-H401 VanDerWaalsContact C-N 3.3Å; T399-H401 PolarHBondContact O-CD2 3.26Å; T399-H401 PolarHBondContact O-NE2 2.86Å
400	N	98.6	Very high	96.8	Very high	32 Å²	32	26 Å²	26	17%	0.171	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-89.1	4.6	173.3	-67.6	-37.3	0	0	0	112.8	G373 D397 R398 R402	G373-N400 PolarHBondContact O-ND2 3.27Å; D397-N400 HydrophobicContact CB-CB 4.48Å; D397-N400 VanDerWaalsContact CG-ND2 3.31Å; D397-N400 CarbonylContact O-C 3.6Å; D397-N400 PolarHBondContact O-N 3.34Å; D397-N400 VanDerWaalsContact O-N 3.11Å; D397-N400 PolarHBondContact OD1-ND2 2.69Å; D397-N400 VanDerWaalsContact OD1-ND2 3.14Å; D397-N400 WeakPolarHBondContact OD2-CB 3.37Å; D397-N400 PolarHBondContact OD2-ND2 3.22Å; R398-N400 VanDerWaalsContact C-N 3.29Å; R398-N400 PolarHBondContact O-N 2.86Å; N400-R402 VanDerWaalsContact C-N 3.29Å; N400-R402 HydrophobicContact CB-CG 3.99Å; N400-R402 PolarHBondContact O-N 3.24Å
401	H	98.7	Very high	97.1	Very high	39 Å²	39	25.5 Å²	25.5	18%	0.181	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	38	173.6	-54.9	-93.8	0	0	0	114	D397 R398 T399 G417 S418 P419 F426 D427 R428	D397-H401 PolarHBondContact O-N 3.48Å; D397-H401 VanDerWaalsContact O-N 3.15Å; R398-H401 PolarHBondContact O-N 3.16Å; T399-H401 VanDerWaalsContact C-N 3.3Å; T399-H401 PolarHBondContact O-CD2 3.26Å; T399-H401 PolarHBondContact O-NE2 2.86Å; H401-G417 CarbonylContact O-C 3.5Å; H401-S418 CarbonylContact O-C 3.54Å; H401-S418 PolarHBondContact O-N 3.08Å; H401-P419 HydrophobicContact CB-CB 3.99Å; H401-F426 PolarHBondContact ND1-O 3.04Å; H401-D427 IonicContact CE1-OD1 3.43Å; H401-D427 PolarHBondContact CE1-OD1 3.19Å; H401-D427 VanDerWaalsContact CE1-OD1 3.29Å; H401-D427 IonicContact ND1-OD1 3.59Å; H401-R428 PolarHBondContact ND1-N 3.09Å
402	R	98.6	Very high	97.4	Very high	17 Å²	17	24.9 Å²	24.9	6%	0.064	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	167.6	-172.7	69.5	-173.9	-177.8	-178	5.3	112.5	S374 N375 Q378 D397 N400 Q404 F416	S374-R402 PolarHBondContact O-NH1 3.04Å; S374-R402 PolarHBondContact O-NH2 2.9Å; N375-R402 PolarHBondContact O-NH2 3.04Å; Q378-R402 PolarHBondContact O-NH2 3.08Å; D397-R402 WeakPolarHBondContact CA-O 3.38Å; D397-R402 HydrophobicContact CB-CG 3.83Å; D397-R402 WeakPolarHBondContact CB-O 3.2Å; D397-R402 PolarHBondContact N-O 3.14Å; D397-R402 PolarHBondContact O-N 3.25Å; D397-R402 IonicContact OD2-CZ 3.3Å; D397-R402 IonicContact OD2-NE 3.64Å; D397-R402 PolarHBondContact OD2-NE 3.46Å; D397-R402 IonicContact OD2-NH2 3Å; D397-R402 PolarHBondContact OD2-NH2 3.34Å; D397-R402 VanDerWaalsContact OD2-NH2 3.13Å; N400-R402 VanDerWaalsContact C-N 3.29Å; N400-R402 HydrophobicContact CB-CG 3.99Å; N400-R402 PolarHBondContact O-N 3.24Å; R402-Q404 HydrophobicContact CG-CG 4.49Å; R402-F416 WeakPolarHBondContact CA-O 3.46Å; R402-F416 WeakPolarHBondContact CB-O 3.37Å
403	I	98.9	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.5	168.9	-55.2	-55.3	0	0	0	108.3	I394 V395 A396 K415 F416 F426 P429 V442	I394-I403 HydrophobicContact CG2-CG2 3.36Å; V395-I403 WeakPolarHBondContact O-CA 3.44Å; A396-I403 HydrophobicContact CB-CD1 3.85Å; I403-K415 CarbonylContact O-C 3.54Å; I403-K415 WeakPolarHBondContact O-CA 3.46Å; I403-K415 WeakPolarHBondContact O-CB 3.5Å; I403-F416 HydrophobicContact CB-CD1 4.23Å; I403-F416 HydrophobicContact CB-CE1 3.74Å; I403-F416 HydrophobicContact CB-CE2 4.07Å; I403-F416 HydrophobicContact CB-CZ 3.65Å; I403-F416 HydrophobicContact CG1-CE1 4.43Å; I403-F416 HydrophobicContact CG1-CE2 3.95Å; I403-F416 HydrophobicContact CG1-CZ 3.83Å; I403-F416 HydrophobicContact CG2-CE1 3.73Å; I403-F416 HydrophobicContact CG2-CZ 3.83Å; I403-F416 PolarHBondContact N-O 3.4Å; I403-F416 PolarHBondContact O-N 2.89Å; I403-F426 HydrophobicContact CG1-CE2 4.15Å; I403-F426 HydrophobicContact CG1-CZ 4.22Å; I403-P429 HydrophobicContact CD1-CB 4.23Å; I403-P429 HydrophobicContact CD1-CG 4.4Å; I403-V442 HydrophobicContact CD1-CG1 3.77Å; I403-V442 HydrophobicContact CD1-CG2 4.1Å; I403-V442 HydrophobicContact CG1-CG1 4.29Å; I403-V442 HydrophobicContact CG1-CG2 3.97Å
404	Q	98.7	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.5	172.9	-67	-167.2	77.4	0	0	110.4	A377 Q378 I394 V395 D397 R402 F406 F412 K415	A377-Q404 VanDerWaalsContact N-OE1 3.16Å; Q378-Q404 PolarHBondContact O-NE2 2.88Å; I394-Q404 WeakPolarHBondContact CA-O 3.29Å; V395-Q404 PolarHBondContact N-O 3.24Å; V395-Q404 PolarHBondContact O-N 3.22Å; D397-Q404 PolarHBondContact OD2-NE2 2.96Å; R402-Q404 HydrophobicContact CG-CG 4.49Å; Q404-F406 HydrophobicContact CB-CE2 3.57Å; Q404-F406 HydrophobicContact CB-CZ 3.85Å; Q404-F412 HydrophobicContact CB-CE2 4.41Å; Q404-F412 HydrophobicContact CG-CE2 4.26Å; Q404-F412 VanDerWaalsContact OE1-CE2 3.25Å; Q404-K415 HydrophobicContact CG-CB 3.88Å
405	I	98.7	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.3	-178.9	-51.4	-175	0	0	0	108.6	R392 I393 I394 L413 T414 F416 I440	R392-I405 HydrophobicContact CB-CG2 3.71Å; R392-I405 HydrophobicContact CG-CG2 4.4Å; I393-I405 CarbonylContact O-C 3.56Å; I393-I405 WeakPolarHBondContact O-CA 3.17Å; I394-I405 HydrophobicContact CG1-CG1 4.22Å; I394-I405 HydrophobicContact CG1-CG2 4.24Å; I394-I405 HydrophobicContact CG2-CG1 4.37Å; I405-L413 HydrophobicContact CG2-CD1 4.34Å; I405-L413 WeakPolarHBondContact O-CB 3.28Å; I405-L413 PolarHBondContact O-N 3.17Å; I405-T414 HydrophobicContact CB-CG2 3.97Å; I405-T414 HydrophobicContact CD1-CG2 3.85Å; I405-T414 HydrophobicContact CG1-CG2 4.11Å; I405-T414 PolarHBondContact N-O 3.22Å; I405-T414 PolarHBondContact O-N 2.95Å; I405-F416 HydrophobicContact CD1-CE1 4.24Å; I405-I440 HydrophobicContact CD1-CD1 3.94Å
406	F	98.4	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.8	-179.4	-55.1	-95	0	0	0	110.4	F369 C370 A377 R392 I393 V395 Q404 N411 F412	F369-F406 HydrophobicContact CD2-CD1 4.07Å; F369-F406 HydrophobicContact CD2-CE1 4.26Å; F369-F406 HydrophobicContact CD2-CG 4.44Å; F369-F406 HydrophobicContact CE2-CB 4.2Å; F369-F406 AromaticContact CE2-CD1 3.82Å; F369-F406 HydrophobicContact CE2-CD1 3.82Å; F369-F406 HydrophobicContact CE2-CD2 4.01Å; F369-F406 HydrophobicContact CE2-CE1 4.2Å; F369-F406 HydrophobicContact CE2-CE2 4.36Å; F369-F406 AromaticContact CE2-CG 3.74Å; F369-F406 HydrophobicContact CE2-CG 3.74Å; F369-F406 HydrophobicContact CE2-CZ 4.46Å; C370-F406 WeakPolarHBondContact SG-CZ 3.39Å; A377-F406 HydrophobicContact CB-CE1 4.18Å; R392-F406 CarbonylContact C-O 3.58Å; R392-F406 VanDerWaalsContact CA-O 3.26Å; R392-F406 WeakPolarHBondContact CA-O 3.29Å; I393-F406 HydrophobicContact CB-CB 4.34Å; I393-F406 PolarHBondContact N-O 2.92Å; I393-F406 PolarHBondContact O-N 2.8Å; V395-F406 HydrophobicContact CB-CE2 4.3Å; V395-F406 HydrophobicContact CG2-CD2 4.11Å; V395-F406 HydrophobicContact CG2-CE2 4Å; Q404-F406 HydrophobicContact CB-CE2 3.57Å; Q404-F406 HydrophobicContact CB-CZ 3.85Å; F406-N411 CarbonylContact C-O 3.58Å; F406-N411 WeakPolarHBondContact CA-O 3.48Å; F406-N411 WeakPolarHBondContact CB-O 3.28Å; F406-F412 HydrophobicContact CD1-CB 4.14Å; F406-F412 HydrophobicContact CE1-CB 4.02Å; F406-F412 HydrophobicContact CE1-CD2 4.03Å; F406-F412 HydrophobicContact CZ-CD2 4.34Å
407	D	95.7	Very high	97.4	Very high	34 Å²	34	37 Å²	37	18%	0.182	20%	0.195	C	C	.	.			trans	-79.5	177.6	162.6	65.4	20.2	0	0	0	111.2	E409 G410 N411 L413	D407-E409 PolarHBondContact O-N 3.18Å; D407-E409 WeakPolarHBondContact OD1-CA 3.37Å; D407-E409 PolarHBondContact OD1-N 3.48Å; D407-G410 PolarHBondContact O-N 3Å; D407-G410 PolarHBondContact OD1-N 2.88Å; D407-N411 PolarHBondContact N-O 3.28Å; D407-N411 PolarHBondContact OD1-N 2.77Å; D407-N411 PolarHBondContact OD1-ND2 2.81Å; D407-N411 VanDerWaalsContact OD2-CB 3.29Å; D407-N411 WeakPolarHBondContact OD2-CB 3.46Å; D407-N411 PolarHBondContact OD2-ND2 2.75Å; D407-L413 HydrophobicContact CB-CD1 4.24Å; D407-L413 HydrophobicContact CB-CD2 4.37Å; D407-L413 HydrophobicContact CB-CG 4.48Å
408	C	90.1	Very high	97.4	Very high	23 Å²	23	39.4 Å²	39.4	16%	0.155	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.9	-178.2	65	0	0	0	0	113.9	K630 F632	C408-K630 PolarHBondContact O-NZ 2.74Å; C408-F632 HydrophobicContact CB-CZ 4.4Å
409	E	93.2	Very high	97.4	Very high	102 Å²	102	41.6 Å²	41.6	48%	0.477	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-8.1	169.5	-70	68.5	-140.1	0	0	112.2	D407 K630	D407-E409 PolarHBondContact O-N 3.18Å; D407-E409 WeakPolarHBondContact OD1-CA 3.37Å; D407-E409 PolarHBondContact OD1-N 3.48Å; E409-K630 IonicContact OE1-NZ 2.82Å
410	G	94.5	Very high	97.4	Very high	11 Å²	11	41.2 Å²	41.2	11%	0.113	24%	0.235	C	C	.	.			trans	92.4	11.7	178	0	0	0	0	0	114.7	F369 D407	F369-G410 WeakPolarHBondContact CD2-O 3.36Å; D407-G410 PolarHBondContact O-N 3Å; D407-G410 PolarHBondContact OD1-N 2.88Å
411	N	97.2	Very high	97.2	Very high	94 Å²	94	43.6 Å²	43.6	50%	0.503	25%	0.253	S	S	.	.			trans	-77.8	138.2	174.4	-50.9	-65.1	0	0	0	110.5	F406 D407 L413	F406-N411 CarbonylContact C-O 3.58Å; F406-N411 WeakPolarHBondContact CA-O 3.48Å; F406-N411 WeakPolarHBondContact CB-O 3.28Å; D407-N411 PolarHBondContact N-O 3.28Å; D407-N411 PolarHBondContact OD1-N 2.77Å; D407-N411 PolarHBondContact OD1-ND2 2.81Å; D407-N411 VanDerWaalsContact OD2-CB 3.29Å; D407-N411 WeakPolarHBondContact OD2-CB 3.46Å; D407-N411 PolarHBondContact OD2-ND2 2.75Å; N411-L413 PolarHBondContact O-N 2.93Å
412	F	98.1	Very high	97.2	Very high	60 Å²	60	50.6 Å²	50.6	26%	0.263	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.4	178	174.4	-97.4	0	0	0	111.4	D376 A377 Q404 F406 T414 K415	D376-F412 HydrophobicContact CB-CD1 3.95Å; D376-F412 HydrophobicContact CB-CD2 4.39Å; D376-F412 HydrophobicContact CB-CE1 3.79Å; D376-F412 HydrophobicContact CB-CE2 4.24Å; D376-F412 HydrophobicContact CB-CG 4.24Å; D376-F412 HydrophobicContact CB-CZ 3.94Å; A377-F412 HydrophobicContact CB-CB 3.96Å; Q404-F412 HydrophobicContact CB-CE2 4.41Å; Q404-F412 HydrophobicContact CG-CE2 4.26Å; Q404-F412 VanDerWaalsContact OE1-CE2 3.25Å; F406-F412 HydrophobicContact CD1-CB 4.14Å; F406-F412 HydrophobicContact CE1-CB 4.02Å; F406-F412 HydrophobicContact CE1-CD2 4.03Å; F406-F412 HydrophobicContact CZ-CD2 4.34Å; F412-T414 VanDerWaalsContact CE2-O 3.28Å; F412-T414 WeakPolarHBondContact CE2-O 3.42Å; F412-T414 VanDerWaalsContact CZ-C 3.43Å; F412-K415 HydrophobicContact CE2-CB 4.01Å; F412-K415 HydrophobicContact CZ-CB 4.01Å; F412-K415 HydrophobicContact CZ-CD 4.18Å; F412-K415 HydrophobicContact CZ-CG 4.1Å
413	L	98.1	Very high	97.1	Very high	88 Å²	88	53.9 Å²	53.9	46%	0.461	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-56.1	176.9	-59	179.5	0	0	0	111.2	R392 I405 D407 N411	R392-L413 HydrophobicContact CG-CD1 4.05Å; I405-L413 HydrophobicContact CG2-CD1 4.34Å; I405-L413 WeakPolarHBondContact O-CB 3.28Å; I405-L413 PolarHBondContact O-N 3.17Å; D407-L413 HydrophobicContact CB-CD1 4.24Å; D407-L413 HydrophobicContact CB-CD2 4.37Å; D407-L413 HydrophobicContact CB-CG 4.48Å; N411-L413 PolarHBondContact O-N 2.93Å
414	T	98.2	Very high	97	Very high	57 Å²	57	54.8 Å²	54.8	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	171.7	-176.6	-169.4	0	0	0	0	112.1	I405 F412	I405-T414 HydrophobicContact CB-CG2 3.97Å; I405-T414 HydrophobicContact CD1-CG2 3.85Å; I405-T414 HydrophobicContact CG1-CG2 4.11Å; I405-T414 PolarHBondContact N-O 3.22Å; I405-T414 PolarHBondContact O-N 2.95Å; F412-T414 VanDerWaalsContact CE2-O 3.28Å; F412-T414 WeakPolarHBondContact CE2-O 3.42Å; F412-T414 VanDerWaalsContact CZ-C 3.43Å
415	K	98.4	Very high	97	Very high	87 Å²	87	57.1 Å²	57.1	38%	0.378	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.7	173.3	71.1	-172.5	-178.9	-169.3	0	111.1	D376 I403 Q404 F412	D376-K415 VanDerWaalsContact OD1-CD 3.24Å; D376-K415 WeakPolarHBondContact OD1-CD 3.43Å; D376-K415 WeakPolarHBondContact OD1-CE 3.46Å; D376-K415 IonicContact OD1-NZ 3.14Å; D376-K415 PolarHBondContact OD1-NZ 2.86Å; I403-K415 CarbonylContact O-C 3.54Å; I403-K415 WeakPolarHBondContact O-CA 3.46Å; I403-K415 WeakPolarHBondContact O-CB 3.5Å; Q404-K415 HydrophobicContact CG-CB 3.88Å; F412-K415 HydrophobicContact CE2-CB 4.01Å; F412-K415 HydrophobicContact CZ-CB 4.01Å; F412-K415 HydrophobicContact CZ-CD 4.18Å; F412-K415 HydrophobicContact CZ-CG 4.1Å
416	F	98.7	Very high	97	Very high	25 Å²	25	57.1 Å²	57.1	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.6	170.6	65.1	-85.9	0	0	0	111	R402 I403 I405 F426 I440 F453	R402-F416 WeakPolarHBondContact CA-O 3.46Å; R402-F416 WeakPolarHBondContact CB-O 3.37Å; I403-F416 HydrophobicContact CB-CD1 4.23Å; I403-F416 HydrophobicContact CB-CE1 3.74Å; I403-F416 HydrophobicContact CB-CE2 4.07Å; I403-F416 HydrophobicContact CB-CZ 3.65Å; I403-F416 HydrophobicContact CG1-CE1 4.43Å; I403-F416 HydrophobicContact CG1-CE2 3.95Å; I403-F416 HydrophobicContact CG1-CZ 3.83Å; I403-F416 HydrophobicContact CG2-CE1 3.73Å; I403-F416 HydrophobicContact CG2-CZ 3.83Å; I403-F416 PolarHBondContact N-O 3.4Å; I403-F416 PolarHBondContact O-N 2.89Å; I405-F416 HydrophobicContact CD1-CE1 4.24Å; F416-F426 HydrophobicContact CD2-CE2 4.29Å; F416-F426 HydrophobicContact CE2-CE2 4.24Å; F416-F426 HydrophobicContact CE2-CZ 4.2Å; F416-I440 HydrophobicContact CE1-CD1 3.87Å; F416-I440 HydrophobicContact CZ-CD1 4.02Å; F416-I440 HydrophobicContact CZ-CG2 4.3Å; F416-F453 HydrophobicContact CD2-CD1 4.17Å; F416-F453 HydrophobicContact CD2-CE1 4.28Å; F416-F453 HydrophobicContact CE2-CB 4.33Å; F416-F453 AromaticContact CE2-CD1 3.85Å; F416-F453 HydrophobicContact CE2-CD1 3.85Å; F416-F453 AromaticContact CE2-CD2 3.89Å; F416-F453 HydrophobicContact CE2-CD2 3.89Å; F416-F453 HydrophobicContact CE2-CE1 4.12Å; F416-F453 HydrophobicContact CE2-CE2 4.15Å; F416-F453 AromaticContact CE2-CG 3.75Å; F416-F453 HydrophobicContact CE2-CG 3.75Å; F416-F453 HydrophobicContact CE2-CZ 4.27Å; F416-F453 HydrophobicContact CZ-CB 4.48Å; F416-F453 HydrophobicContact CZ-CD2 4.45Å; F416-F453 HydrophobicContact CZ-CG 4.33Å
417	G	98.3	Very high	97	Very high	31 Å²	31	59.6 Å²	59.6	32%	0.32	33%	0.33	S	S	.	.			trans	103.6	153	-174.6	0	0	0	0	0	113.5	H401 G424	H401-G417 CarbonylContact O-C 3.5Å; G417-G424 WeakPolarHBondContact CA-O 3.29Å
418	S	97.9	Very high	97.1	Very high	52 Å²	52	62.7 Å²	62.7	36%	0.364	34%	0.339	S	S	.	.			trans	-152.6	159.4	175.6	55	0	0	0	0	109	H401 G420 Q425 F426	H401-S418 CarbonylContact O-C 3.54Å; H401-S418 PolarHBondContact O-N 3.08Å; S418-G420 PolarHBondContact O-N 3Å; S418-Q425 CarbonylContact O-C 3.43Å; S418-Q425 WeakPolarHBondContact O-CA 3.33Å; S418-Q425 WeakPolarHBondContact O-CB 3.36Å; S418-F426 PolarHBondContact O-N 3.02Å
419	P	98.5	Very high	97.5	Very high	86 Å²	86	61.6 Å²	61.6	56%	0.558	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-60.9	134.1	178.6	23.4	-33.7	0	0	0	112.2	H401 F426	H401-P419 HydrophobicContact CB-CB 3.99Å; P419-F426 WeakPolarHBondContact CA-O 3.47Å
420	G	97.8	Very high	97.8	Very high	27 Å²	27	56.7 Å²	56.7	28%	0.278	31%	0.309	S	S	.	.	S	Bend	trans	146.6	-171.4	171.6	0	0	0	0	0	114	S418 F426 N447	S418-G420 PolarHBondContact O-N 3Å; G420-F426 PolarHBondContact N-O 2.92Å; G420-F426 CarbonylContact O-C 3.55Å; G420-F426 VanDerWaalsContact O-C 3.23Å; G420-F426 PolarHBondContact O-N 2.81Å; G420-N447 PolarHBondContact O-ND2 3.35Å
421	C	95.8	Very high	98	Very high	82 Å²	82	56.2 Å²	56.2	55%	0.554	30%	0.304	S	S	*	.	S	Bend	trans	-116.8	3.7	-174.8	65.5	0	0	0	0	113.8	N447 R449	C421-N447 WeakPolarHBondContact CB-OD1 3.5Å; C421-R449 PolarHBondContact O-NH1 3.4Å; C421-R449 PolarHBondContact O-NH2 3.17Å
422	R	96.9	Very high	98.1	Very high	187 Å²	187	51.9 Å²	51.9	71%	0.706	28%	0.281	S	S	*	.	S	Bend	trans	-79.1	174.5	175.7	-59.1	-178.8	179.5	178.3	0.6	111.4	G424 Q425 R449	R422-G424 PolarHBondContact O-N 3.17Å; R422-Q425 HydrophobicContact CB-CG 4.13Å; R422-Q425 VanDerWaalsContact CB-OE1 3.31Å; R422-Q425 VanDerWaalsContact N-OE1 3.11Å; R422-Q425 PolarHBondContact O-N 3.13Å; R422-Q425 VanDerWaalsContact O-N 3.14Å; R422-R449 PolarHBondContact O-NH2 3.11Å
423	N	97.6	Very high	98.1	Very high	86 Å²	86	49.4 Å²	49.4	46%	0.46	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	132.2	175.2	-64.4	-2.7	0	0	0	109.6	Q425 F459 K462	N423-Q425 PolarHBondContact O-N 2.85Å; N423-F459 HydrophobicContact CB-CD1 3.88Å; N423-F459 HydrophobicContact CB-CD2 3.91Å; N423-F459 HydrophobicContact CB-CE1 3.8Å; N423-F459 HydrophobicContact CB-CE2 3.81Å; N423-F459 HydrophobicContact CB-CG 3.93Å; N423-F459 HydrophobicContact CB-CZ 3.75Å; N423-F459 VanDerWaalsContact CG-CZ 3.44Å; N423-F459 VanDerWaalsContact ND2-CE1 3.3Å; N423-F459 WeakPolarHBondContact ND2-CE1 3.44Å; N423-K462 WeakPolarHBondContact OD1-CD 3.34Å; N423-K462 WeakPolarHBondContact OD1-CE 3.44Å; N423-K462 PolarHBondContact OD1-NZ 3.32Å
424	G	95.6	Very high	98.1	Very high	19 Å²	19	46.2 Å²	46.2	20%	0.196	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-0.7	-175.8	0	0	0	0	0	115.5	G417 R422	G417-G424 WeakPolarHBondContact CA-O 3.29Å; R422-G424 PolarHBondContact O-N 3.17Å
425	Q	98.5	Very high	98.1	Very high	48 Å²	48	43.8 Å²	43.8	22%	0.224	24%	0.241	C	C	.	.			trans	-94.6	154.3	164.7	-60.7	-175.6	-30.3	0	0	109.8	S418 R422 N423 R449 Q451	S418-Q425 CarbonylContact O-C 3.43Å; S418-Q425 WeakPolarHBondContact O-CA 3.33Å; S418-Q425 WeakPolarHBondContact O-CB 3.36Å; R422-Q425 HydrophobicContact CB-CG 4.13Å; R422-Q425 VanDerWaalsContact CB-OE1 3.31Å; R422-Q425 VanDerWaalsContact N-OE1 3.11Å; R422-Q425 PolarHBondContact O-N 3.13Å; R422-Q425 VanDerWaalsContact O-N 3.14Å; N423-Q425 PolarHBondContact O-N 2.85Å; Q425-R449 PolarHBondContact O-NH2 2.71Å; Q425-Q451 PolarHBondContact O-NE2 2.67Å
426	F	98.8	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-129.8	152.4	-179.9	-61.6	-74.9	0	0	0	112.3	H401 I403 F416 S418 P419 G420 P429 V442 D444 Q451 F453	H401-F426 PolarHBondContact ND1-O 3.04Å; I403-F426 HydrophobicContact CG1-CE2 4.15Å; I403-F426 HydrophobicContact CG1-CZ 4.22Å; F416-F426 HydrophobicContact CD2-CE2 4.29Å; F416-F426 HydrophobicContact CE2-CE2 4.24Å; F416-F426 HydrophobicContact CE2-CZ 4.2Å; S418-F426 PolarHBondContact O-N 3.02Å; P419-F426 WeakPolarHBondContact CA-O 3.47Å; G420-F426 PolarHBondContact N-O 2.92Å; G420-F426 CarbonylContact O-C 3.55Å; G420-F426 VanDerWaalsContact O-C 3.23Å; G420-F426 PolarHBondContact O-N 2.81Å; F426-P429 HydrophobicContact CB-CB 4.25Å; F426-P429 HydrophobicContact CB-CG 3.96Å; F426-P429 HydrophobicContact CD1-CB 4.04Å; F426-P429 HydrophobicContact CG-CB 4.15Å; F426-P429 HydrophobicContact CG-CG 4.14Å; F426-V442 HydrophobicContact CD1-CG1 4.2Å; F426-V442 HydrophobicContact CE1-CB 3.9Å; F426-V442 HydrophobicContact CE1-CG1 3.52Å; F426-V442 HydrophobicContact CZ-CB 4.2Å; F426-V442 HydrophobicContact CZ-CG1 3.97Å; F426-V442 HydrophobicContact CZ-CG2 4.3Å; F426-D444 HydrophobicContact CD1-CB 4.02Å; F426-Q451 HydrophobicContact CE1-CB 4.41Å; F426-F453 AromaticContact CE1-CE2 3.89Å; F426-F453 HydrophobicContact CE1-CE2 3.89Å; F426-F453 AromaticContact CE1-CZ 3.95Å; F426-F453 HydrophobicContact CE1-CZ 3.95Å; F426-F453 HydrophobicContact CE2-CZ 4.19Å; F426-F453 HydrophobicContact CZ-CD2 4.49Å; F426-F453 HydrophobicContact CZ-CE1 4.39Å; F426-F453 AromaticContact CZ-CE2 3.44Å; F426-F453 HydrophobicContact CZ-CE2 3.44Å; F426-F453 VanDerWaalsContact CZ-CE2 3.44Å; F426-F453 AromaticContact CZ-CZ 3.38Å; F426-F453 HydrophobicContact CZ-CZ 3.38Å
427	D	98.7	Very high	97.6	Very high	52 Å²	52	46.7 Å²	46.7	28%	0.278	26%	0.263	S	S	.	.	S	Bend	trans	-122.4	101.5	162.4	-164.7	0.8	0	0	0	109.5	H401 D444 D446 N447	H401-D427 IonicContact CE1-OD1 3.43Å; H401-D427 PolarHBondContact CE1-OD1 3.19Å; H401-D427 VanDerWaalsContact CE1-OD1 3.29Å; H401-D427 IonicContact ND1-OD1 3.59Å; D427-D444 PolarHBondContact N-OD1 2.73Å; D427-D446 HydrophobicContact CB-CB 3.92Å; D427-D446 WeakPolarHBondContact O-CB 3.29Å; D427-D446 PolarHBondContact O-N 3.46Å; D427-N447 WeakPolarHBondContact CB-ND2 3.28Å; D427-N447 PolarHBondContact N-ND2 3.06Å
428	R	98.6	Very high	97.5	Very high	99 Å²	99	45.7 Å²	45.7	37%	0.374	25%	0.25	S	S	.	.	S	Bend	trans	51.9	64.9	-177.7	-58.1	-157.1	-174.5	128.2	-8.4	114.5	R398 H401 K445 D446	R398-R428 HydrophobicContact CG-CB 3.8Å; R398-R428 HydrophobicContact CG-CG 4.45Å; R398-R428 WeakPolarHBondContact O-CA 3.42Å; H401-R428 PolarHBondContact ND1-N 3.09Å; R428-K445 WeakPolarHBondContact O-CB 3.25Å; R428-D446 HydrophobicContact CB-CB 4.48Å; R428-D446 VanDerWaalsContact CD-OD2 3.24Å; R428-D446 WeakPolarHBondContact CD-OD2 3.28Å; R428-D446 IonicContact CZ-OD2 2.81Å; R428-D446 IonicContact NE-OD2 3.08Å; R428-D446 IonicContact NH1-OD2 3.37Å; R428-D446 PolarHBondContact NH1-OD2 2.96Å
429	P	98.7	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	144.5	177.5	29.1	-33	0	0	0	110.7	R398 I403 F426 V442 V443	R398-P429 VanDerWaalsContact CA-O 3.31Å; R398-P429 WeakPolarHBondContact CA-O 3.44Å; R398-P429 VanDerWaalsContact CB-O 3.29Å; R398-P429 WeakPolarHBondContact CB-O 3.42Å; R398-P429 WeakPolarHBondContact CG-O 3.32Å; I403-P429 HydrophobicContact CD1-CB 4.23Å; I403-P429 HydrophobicContact CD1-CG 4.4Å; F426-P429 HydrophobicContact CB-CB 4.25Å; F426-P429 HydrophobicContact CB-CG 3.96Å; F426-P429 HydrophobicContact CD1-CB 4.04Å; F426-P429 HydrophobicContact CG-CB 4.15Å; F426-P429 HydrophobicContact CG-CG 4.14Å; P429-V442 HydrophobicContact CB-CG1 3.82Å; P429-V443 CarbonylContact C-O 3.54Å; P429-V443 VanDerWaalsContact CA-O 3.23Å; P429-V443 WeakPolarHBondContact CA-O 3.44Å
430	T	98.6	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-84.3	-175.8	44.3	0	0	0	0	112.3	W383 G384 A396 R398 V443 K445 W477	W383-T430 HydrophobicContact CB-CG2 4.24Å; W383-T430 HydrophobicContact CG-CG2 4.37Å; G384-T430 VanDerWaalsContact CA-O 3.28Å; G384-T430 WeakPolarHBondContact CA-O 3.44Å; G384-T430 PolarHBondContact N-O 2.86Å; G384-T430 VanDerWaalsContact N-O 3.12Å; A396-T430 WeakPolarHBondContact CB-O 3.42Å; R398-T430 HydrophobicContact CG-CG2 4.24Å; T430-V443 PolarHBondContact N-O 3.08Å; T430-K445 HydrophobicContact CG2-CB 4.2Å; T430-K445 HydrophobicContact CG2-CD 3.76Å; T430-W477 WeakPolarHBondContact CB-O 3.02Å; T430-W477 PolarHBondContact OG1-O 3.4Å
431	G	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.2	-180	0	0	0	0	0	112.6	V443 W477 D478	G431-V443 PolarHBondContact O-N 3.43Å; G431-W477 PolarHBondContact N-O 2.88Å; G431-D478 WeakPolarHBondContact CA-OD1 3.28Å
432	V	98.8	Very high	97.7	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134	174.7	60.5	0	0	0	0	110.3	T386 I394 A396 I440 V441 V442	T386-V432 WeakPolarHBondContact CB-O 3.31Å; T386-V432 HydrophobicContact CG2-CG1 4.09Å; T386-V432 HydrophobicContact CG2-CG2 4.08Å; I394-V432 HydrophobicContact CB-CG2 4.49Å; I394-V432 HydrophobicContact CG2-CG2 3.72Å; A396-V432 HydrophobicContact CB-CG1 4.38Å; V432-I440 HydrophobicContact CG2-CG2 3.7Å; V432-V441 WeakPolarHBondContact CA-O 3.32Å; V432-V442 HydrophobicContact CG2-CG2 4.29Å
433	A	98.8	Very high	97.8	Very high	8 Å²	8	26.8 Å²	26.8	7%	0.066	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	171.9	176.9	0	0	0	0	0	110.1	V441 V479 V481	A433-V441 PolarHBondContact N-O 3.35Å; A433-V441 PolarHBondContact O-N 3.26Å; A433-V479 HydrophobicContact CB-CG1 3.94Å; A433-V479 HydrophobicContact CB-CG2 4.23Å; A433-V481 HydrophobicContact CB-CG2 3.84Å
434	V	98.1	Very high	97.9	Very high	21 Å²	21	22.7 Å²	22.7	13%	0.127	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139	179.2	-65.6	0	0	0	0	112.5	T386 D388 I394 N439 I440	T386-V434 HydrophobicContact CG2-CG1 4.3Å; D388-V434 HydrophobicContact CB-CG1 3.93Å; D388-V434 HydrophobicContact CB-CG2 4.42Å; I394-V434 HydrophobicContact CD1-CG1 3.85Å; V434-N439 CarbonylContact C-O 3.59Å; V434-N439 VanDerWaalsContact CA-O 3.27Å; V434-N439 WeakPolarHBondContact CA-O 3.46Å; V434-I440 HydrophobicContact CG1-CG1 4.45Å
435	T	97.6	Very high	98	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.037	12%	0.115	C	C	.	.			trans	-79.1	170.1	174.9	74.1	0	0	0	0	111.8	R389 N437 N438 N439 V441 V481 D485	R389-T435 PolarHBondContact NH1-O 3.45Å; T435-N437 PolarHBondContact O-N 3.01Å; T435-N437 PolarHBondContact OG1-N 3.18Å; T435-N438 WeakPolarHBondContact O-CA 3.39Å; T435-N438 PolarHBondContact O-N 3.02Å; T435-N439 HydrophobicContact CG2-CB 4.16Å; T435-N439 PolarHBondContact N-O 3.24Å; T435-N439 WeakPolarHBondContact OG1-CB 3.44Å; T435-N439 PolarHBondContact OG1-N 2.56Å; T435-V441 HydrophobicContact CG2-CG2 3.6Å; T435-V481 HydrophobicContact CG2-CG1 4.43Å; T435-D485 VanDerWaalsContact CA-OD1 3.27Å; T435-D485 WeakPolarHBondContact CA-OD1 3.49Å; T435-D485 WeakPolarHBondContact CB-OD1 3.33Å
436	T	93.3	Very high	98	Very high	51 Å²	51	21.5 Å²	21.5	31%	0.313	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.8	175.2	70.2	0	0	0	0	113.7	R389 N438 S483 D485	R389-T436 VanDerWaalsContact CZ-CA 3.45Å; R389-T436 PolarHBondContact NH1-O 3.31Å; T436-N438 PolarHBondContact O-N 3Å; T436-S483 VanDerWaalsContact CG2-O 3.31Å; T436-S483 WeakPolarHBondContact CG2-O 3.45Å; T436-D485 WeakPolarHBondContact CB-OD2 3.28Å; T436-D485 WeakPolarHBondContact CG2-OD1 3.47Å; T436-D485 PolarHBondContact N-OD1 2.85Å; T436-D485 PolarHBondContact OG1-OD2 2.86Å
437	N	94.3	Very high	98	Very high	122 Å²	122	23.1 Å²	23.1	65%	0.652	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	12.1	174.6	-65.7	-43.4	0	0	0	114.1	T435 N439	T435-N437 PolarHBondContact O-N 3.01Å; T435-N437 PolarHBondContact OG1-N 3.18Å; N437-N439 PolarHBondContact O-N 3.04Å
438	N	96.1	Very high	98	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.048	11%	0.109	C	C	.	.			trans	61.5	22.7	-177.8	-146.6	47.3	0	0	0	114.2	D388 R389 T435 T436 Q455	D388-N438 WeakPolarHBondContact CB-OD1 3.47Å; D388-N438 PolarHBondContact OD2-ND2 2.86Å; R389-N438 PolarHBondContact N-OD1 2.89Å; R389-N438 VanDerWaalsContact N-OD1 3.15Å; T435-N438 WeakPolarHBondContact O-CA 3.39Å; T435-N438 PolarHBondContact O-N 3.02Å; T436-N438 PolarHBondContact O-N 3Å; N438-Q455 HydrophobicContact CB-CB 4.42Å; N438-Q455 PolarHBondContact ND2-OE1 2.85Å; N438-Q455 WeakPolarHBondContact O-CB 3.25Å
439	N	98.3	Very high	98	Very high	38 Å²	38	17.1 Å²	17.1	20%	0.203	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-75.5	139.4	171.7	-65.2	-32.6	0	0	0	109.5	V434 T435 N437 V452 F453 L460	V434-N439 CarbonylContact C-O 3.59Å; V434-N439 VanDerWaalsContact CA-O 3.27Å; V434-N439 WeakPolarHBondContact CA-O 3.46Å; T435-N439 HydrophobicContact CG2-CB 4.16Å; T435-N439 PolarHBondContact N-O 3.24Å; T435-N439 WeakPolarHBondContact OG1-CB 3.44Å; T435-N439 PolarHBondContact OG1-N 2.56Å; N437-N439 PolarHBondContact O-N 3.04Å; N439-V452 HydrophobicContact CB-CG1 4.04Å; N439-F453 CarbonylContact C-O 3.56Å; N439-F453 WeakPolarHBondContact CA-O 3.48Å; N439-F453 WeakPolarHBondContact CB-O 3.28Å; N439-L460 HydrophobicContact CB-CD1 4.26Å
440	I	98.8	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.6	-177.7	-52.6	172.4	0	0	0	108.6	I394 I405 F416 V432 V434 V442 V452 F453	I394-I440 HydrophobicContact CD1-CD1 3.88Å; I394-I440 HydrophobicContact CD1-CG1 3.94Å; I394-I440 HydrophobicContact CG2-CG2 4.35Å; I405-I440 HydrophobicContact CD1-CD1 3.94Å; F416-I440 HydrophobicContact CE1-CD1 3.87Å; F416-I440 HydrophobicContact CZ-CD1 4.02Å; F416-I440 HydrophobicContact CZ-CG2 4.3Å; V432-I440 HydrophobicContact CG2-CG2 3.7Å; V434-I440 HydrophobicContact CG1-CG1 4.45Å; I440-V442 HydrophobicContact CG2-CG2 3.86Å; I440-V452 CarbonylContact O-C 3.5Å; I440-V452 WeakPolarHBondContact O-CA 3.19Å; I440-F453 HydrophobicContact CB-CB 4.4Å; I440-F453 PolarHBondContact N-O 3.24Å; I440-F453 PolarHBondContact O-N 3.13Å
441	V	98.9	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.4	176	-171.9	0	0	0	0	108.4	V432 A433 T435 V450 V452 V479 V481 I487	V432-V441 WeakPolarHBondContact CA-O 3.32Å; A433-V441 PolarHBondContact N-O 3.35Å; A433-V441 PolarHBondContact O-N 3.26Å; T435-V441 HydrophobicContact CG2-CG2 3.6Å; V441-V450 HydrophobicContact CG1-CG1 3.52Å; V441-V452 HydrophobicContact CG1-CG2 4.23Å; V441-V452 HydrophobicContact CG2-CG1 4.27Å; V441-V452 HydrophobicContact CG2-CG2 4.24Å; V441-V479 HydrophobicContact CB-CG2 4.31Å; V441-V479 HydrophobicContact CG1-CG2 3.8Å; V441-V481 HydrophobicContact CG2-CG2 4.17Å; V441-I487 HydrophobicContact CG1-CD1 4.49Å; V441-I487 HydrophobicContact CG1-CG2 4.11Å; V441-I487 HydrophobicContact CG2-CD1 4.28Å
442	V	98.9	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	-173.7	-176.7	0	0	0	0	110.3	I403 F426 P429 V432 I440 V450 Q451 F453	I403-V442 HydrophobicContact CD1-CG1 3.77Å; I403-V442 HydrophobicContact CD1-CG2 4.1Å; I403-V442 HydrophobicContact CG1-CG1 4.29Å; I403-V442 HydrophobicContact CG1-CG2 3.97Å; F426-V442 HydrophobicContact CD1-CG1 4.2Å; F426-V442 HydrophobicContact CE1-CB 3.9Å; F426-V442 HydrophobicContact CE1-CG1 3.52Å; F426-V442 HydrophobicContact CZ-CB 4.2Å; F426-V442 HydrophobicContact CZ-CG1 3.97Å; F426-V442 HydrophobicContact CZ-CG2 4.3Å; P429-V442 HydrophobicContact CB-CG1 3.82Å; V432-V442 HydrophobicContact CG2-CG2 4.29Å; I440-V442 HydrophobicContact CG2-CG2 3.86Å; V442-V450 WeakPolarHBondContact O-CA 3.22Å; V442-Q451 PolarHBondContact N-O 3.38Å; V442-Q451 PolarHBondContact O-N 3.26Å; V442-F453 HydrophobicContact CB-CE2 4.38Å; V442-F453 HydrophobicContact CG2-CD2 4.17Å; V442-F453 HydrophobicContact CG2-CE2 4.19Å
443	V	98.9	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.5	169.7	180	0	0	0	0	109.6	P429 T430 G431 K445 P476 V479 I489	P429-V443 CarbonylContact C-O 3.54Å; P429-V443 VanDerWaalsContact CA-O 3.23Å; P429-V443 WeakPolarHBondContact CA-O 3.44Å; T430-V443 PolarHBondContact N-O 3.08Å; G431-V443 PolarHBondContact O-N 3.43Å; V443-K445 PolarHBondContact O-N 3.03Å; V443-P476 VanDerWaalsContact CG1-C 3.49Å; V443-P476 HydrophobicContact CG1-CB 3.74Å; V443-P476 HydrophobicContact CG1-CG 3.76Å; V443-P476 VanDerWaalsContact CG1-O 3.29Å; V443-P476 WeakPolarHBondContact CG1-O 3.44Å; V443-V479 HydrophobicContact CG2-CB 3.68Å; V443-V479 HydrophobicContact CG2-CG1 3.8Å; V443-I489 HydrophobicContact CG2-CD1 4.22Å
444	D	98.7	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	76.2	179	-172	4.7	0	0	0	108.9	F426 D427 D446 N447 H448 R449 Q451	F426-D444 HydrophobicContact CD1-CB 4.02Å; D427-D444 PolarHBondContact N-OD1 2.73Å; D444-D446 PolarHBondContact O-N 2.99Å; D444-N447 HydrophobicContact CB-CB 4.43Å; D444-N447 VanDerWaalsContact CG-ND2 3.33Å; D444-N447 CarbonylContact O-C 3.51Å; D444-N447 PolarHBondContact O-N 3.21Å; D444-N447 PolarHBondContact OD1-ND2 3.31Å; D444-N447 VanDerWaalsContact OD1-ND2 3.11Å; D444-N447 WeakPolarHBondContact OD2-CB 3.31Å; D444-N447 PolarHBondContact OD2-ND2 2.8Å; D444-H448 PolarHBondContact O-N 3.06Å; D444-H448 VanDerWaalsContact O-N 3.09Å; D444-R449 HydrophobicContact CB-CG 3.77Å; D444-R449 PolarHBondContact N-O 3.09Å; D444-R449 PolarHBondContact O-N 3.46Å; D444-R449 IonicContact OD2-CZ 3.06Å; D444-R449 VanDerWaalsContact OD2-CZ 3.3Å; D444-R449 IonicContact OD2-NE 3.43Å; D444-R449 PolarHBondContact OD2-NE 3Å; D444-R449 IonicContact OD2-NH2 3Å; D444-R449 PolarHBondContact OD2-NH2 3.33Å; D444-Q451 PolarHBondContact OD2-NE2 3.07Å
445	K	98.7	Very high	97.9	Very high	15 Å²	15	20.8 Å²	20.8	7%	0.065	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-51.2	-162.5	171.8	-175.5	158.7	-67.8	0	114.4	R428 T430 V443 N447 H448 Y475 P476 W477	R428-K445 WeakPolarHBondContact O-CB 3.25Å; T430-K445 HydrophobicContact CG2-CB 4.2Å; T430-K445 HydrophobicContact CG2-CD 3.76Å; V443-K445 PolarHBondContact O-N 3.03Å; K445-N447 VanDerWaalsContact C-N 3.32Å; K445-H448 PolarHBondContact O-N 3.41Å; K445-Y475 HydrophobicContact CG-CD1 4.24Å; K445-P476 VanDerWaalsContact CB-O 3.29Å; K445-P476 WeakPolarHBondContact CB-O 3.31Å; K445-P476 VanDerWaalsContact CG-O 3.3Å; K445-P476 WeakPolarHBondContact CG-O 3.49Å; K445-W477 HydrophobicContact CD-CD2 4.4Å; K445-W477 HydrophobicContact CD-CE3 3.77Å; K445-W477 HydrophobicContact CD-CH2 4.3Å; K445-W477 HydrophobicContact CD-CZ3 3.74Å
446	D	98.6	Very high	97.8	Very high	27 Å²	27	25.7 Å²	25.7	14%	0.144	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.5	-174.2	-74.1	-8.5	0	0	0	112	D427 R428 D444 H448 Y475	D427-D446 HydrophobicContact CB-CB 3.92Å; D427-D446 WeakPolarHBondContact O-CB 3.29Å; D427-D446 PolarHBondContact O-N 3.46Å; R428-D446 HydrophobicContact CB-CB 4.48Å; R428-D446 VanDerWaalsContact CD-OD2 3.24Å; R428-D446 WeakPolarHBondContact CD-OD2 3.28Å; R428-D446 IonicContact CZ-OD2 2.81Å; R428-D446 IonicContact NE-OD2 3.08Å; R428-D446 IonicContact NH1-OD2 3.37Å; R428-D446 PolarHBondContact NH1-OD2 2.96Å; D444-D446 PolarHBondContact O-N 2.99Å; D446-H448 VanDerWaalsContact C-N 3.34Å; D446-H448 PolarHBondContact O-CD2 3.43Å; D446-H448 VanDerWaalsContact O-CD2 3.25Å; D446-Y475 WeakPolarHBondContact OD1-CD1 3.37Å; D446-Y475 WeakPolarHBondContact OD1-CE1 3.34Å
447	N	98.7	Very high	97.9	Very high	34 Å²	34	23.9 Å²	23.9	18%	0.182	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.6	166	-75	-45.2	0	0	0	113.8	G420 C421 D427 D444 K445 R449	G420-N447 PolarHBondContact O-ND2 3.35Å; C421-N447 WeakPolarHBondContact CB-OD1 3.5Å; D427-N447 WeakPolarHBondContact CB-ND2 3.28Å; D427-N447 PolarHBondContact N-ND2 3.06Å; D444-N447 HydrophobicContact CB-CB 4.43Å; D444-N447 VanDerWaalsContact CG-ND2 3.33Å; D444-N447 CarbonylContact O-C 3.51Å; D444-N447 PolarHBondContact O-N 3.21Å; D444-N447 PolarHBondContact OD1-ND2 3.31Å; D444-N447 VanDerWaalsContact OD1-ND2 3.11Å; D444-N447 WeakPolarHBondContact OD2-CB 3.31Å; D444-N447 PolarHBondContact OD2-ND2 2.8Å; K445-N447 VanDerWaalsContact C-N 3.32Å; N447-R449 VanDerWaalsContact C-N 3.33Å; N447-R449 HydrophobicContact CB-CG 3.98Å; N447-R449 PolarHBondContact O-N 2.48Å
448	H	98.7	Very high	98.1	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.051	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.2	176.6	-59.6	-94.8	0	0	0	114.5	D444 K445 D446 G464 E465 K466 F473 N474 Y475	D444-H448 PolarHBondContact O-N 3.06Å; D444-H448 VanDerWaalsContact O-N 3.09Å; K445-H448 PolarHBondContact O-N 3.41Å; D446-H448 VanDerWaalsContact C-N 3.34Å; D446-H448 PolarHBondContact O-CD2 3.43Å; D446-H448 VanDerWaalsContact O-CD2 3.25Å; H448-G464 CarbonylContact O-C 3.31Å; H448-E465 CarbonylContact O-C 3.58Å; H448-E465 VanDerWaalsContact O-C 3.31Å; H448-E465 WeakPolarHBondContact O-CA 3.26Å; H448-E465 PolarHBondContact O-N 2.96Å; H448-K466 HydrophobicContact CB-CB 3.83Å; H448-K466 HydrophobicContact CB-CG 4.45Å; H448-F473 PolarHBondContact ND1-O 3.03Å; H448-N474 WeakPolarHBondContact ND1-CA 3.26Å; H448-Y475 AromaticContact CE1-CD1 3.87Å; H448-Y475 AromaticContact CE1-CD2 3.77Å; H448-Y475 AromaticContact CE1-CE1 3.85Å; H448-Y475 AromaticContact CE1-CE2 3.77Å; H448-Y475 AromaticContact CE1-CG 3.85Å; H448-Y475 AromaticContact CE1-CZ 3.81Å; H448-Y475 PolarHBondContact CE1-N 3.09Å; H448-Y475 PolarHBondContact ND1-N 3.28Å; H448-Y475 AromaticContact NE2-CE1 3.85Å; H448-Y475 AromaticContact NE2-CZ 3.88Å
449	R	98.6	Very high	98.2	Very high	14 Å²	14	24.2 Å²	24.2	5%	0.053	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	173.9	-174.1	70.2	-173.8	-177.5	179.3	3.5	112.7	C421 R422 Q425 D444 N447 Q451 G464	C421-R449 PolarHBondContact O-NH1 3.4Å; C421-R449 PolarHBondContact O-NH2 3.17Å; R422-R449 PolarHBondContact O-NH2 3.11Å; Q425-R449 PolarHBondContact O-NH2 2.71Å; D444-R449 HydrophobicContact CB-CG 3.77Å; D444-R449 PolarHBondContact N-O 3.09Å; D444-R449 PolarHBondContact O-N 3.46Å; D444-R449 IonicContact OD2-CZ 3.06Å; D444-R449 VanDerWaalsContact OD2-CZ 3.3Å; D444-R449 IonicContact OD2-NE 3.43Å; D444-R449 PolarHBondContact OD2-NE 3Å; D444-R449 IonicContact OD2-NH2 3Å; D444-R449 PolarHBondContact OD2-NH2 3.33Å; N447-R449 VanDerWaalsContact C-N 3.33Å; N447-R449 HydrophobicContact CB-CG 3.98Å; N447-R449 PolarHBondContact O-N 2.48Å; R449-Q451 VanDerWaalsContact NH2-NE2 3.11Å; R449-G464 WeakPolarHBondContact CB-O 3.34Å
450	V	98.9	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.6	172.5	-176	0	0	0	0	108.5	V441 V442 K462 F463 F473 I489	V441-V450 HydrophobicContact CG1-CG1 3.52Å; V442-V450 WeakPolarHBondContact O-CA 3.22Å; V450-K462 VanDerWaalsContact O-CA 3.24Å; V450-K462 WeakPolarHBondContact O-CA 3.08Å; V450-K462 WeakPolarHBondContact O-CB 3.02Å; V450-F463 HydrophobicContact CB-CD1 4.35Å; V450-F463 HydrophobicContact CB-CD2 4.38Å; V450-F463 HydrophobicContact CB-CE1 3.88Å; V450-F463 HydrophobicContact CB-CE2 3.91Å; V450-F463 HydrophobicContact CB-CZ 3.65Å; V450-F463 HydrophobicContact CG1-CE1 3.79Å; V450-F463 HydrophobicContact CG1-CE2 4.38Å; V450-F463 HydrophobicContact CG1-CZ 3.64Å; V450-F463 HydrophobicContact CG2-CE2 4.04Å; V450-F463 HydrophobicContact CG2-CZ 4.11Å; V450-F463 PolarHBondContact N-O 2.74Å; V450-F463 PolarHBondContact O-N 3.09Å; V450-F473 HydrophobicContact CG2-CE2 3.99Å; V450-F473 HydrophobicContact CG2-CZ 4.18Å; V450-I489 HydrophobicContact CG1-CD1 4.23Å; V450-I489 HydrophobicContact CG2-CD1 3.66Å; V450-I489 HydrophobicContact CG2-CG1 3.99Å; V450-I489 HydrophobicContact CG2-CG2 4.32Å
451	Q	98.8	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.6	176.8	-65.4	-168.8	81.6	0	0	110.3	Q425 F426 V442 D444 R449 F453 F459 K462	Q425-Q451 PolarHBondContact O-NE2 2.67Å; F426-Q451 HydrophobicContact CE1-CB 4.41Å; V442-Q451 PolarHBondContact N-O 3.38Å; V442-Q451 PolarHBondContact O-N 3.26Å; D444-Q451 PolarHBondContact OD2-NE2 3.07Å; R449-Q451 VanDerWaalsContact NH2-NE2 3.11Å; Q451-F453 HydrophobicContact CB-CD2 4.39Å; Q451-F453 HydrophobicContact CB-CE2 3.41Å; Q451-F453 VanDerWaalsContact CB-CE2 3.41Å; Q451-F453 HydrophobicContact CB-CZ 3.75Å; Q451-F459 HydrophobicContact CG-CE2 4.41Å; Q451-K462 HydrophobicContact CG-CB 3.85Å
452	V	98.8	Very high	98.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.8	179.8	-172.1	0	0	0	0	109.3	N439 I440 V441 L460 F461 F463	N439-V452 HydrophobicContact CB-CG1 4.04Å; I440-V452 CarbonylContact O-C 3.5Å; I440-V452 WeakPolarHBondContact O-CA 3.19Å; V441-V452 HydrophobicContact CG1-CG2 4.23Å; V441-V452 HydrophobicContact CG2-CG1 4.27Å; V441-V452 HydrophobicContact CG2-CG2 4.24Å; V452-L460 HydrophobicContact CG1-CD1 4.26Å; V452-L460 WeakPolarHBondContact O-CB 3.29Å; V452-L460 PolarHBondContact O-N 2.84Å; V452-F461 HydrophobicContact CB-CD1 4.18Å; V452-F461 HydrophobicContact CB-CD2 4.46Å; V452-F461 HydrophobicContact CB-CE1 3.81Å; V452-F461 HydrophobicContact CB-CE2 4.12Å; V452-F461 HydrophobicContact CB-CG 4.48Å; V452-F461 HydrophobicContact CB-CZ 3.76Å; V452-F461 HydrophobicContact CG1-CE1 3.91Å; V452-F461 HydrophobicContact CG1-CZ 4.03Å; V452-F461 HydrophobicContact CG2-CD2 4.2Å; V452-F461 HydrophobicContact CG2-CE1 4.08Å; V452-F461 HydrophobicContact CG2-CE2 3.56Å; V452-F461 HydrophobicContact CG2-CZ 3.49Å; V452-F461 VanDerWaalsContact CG2-CZ 3.49Å; V452-F461 PolarHBondContact N-O 3.23Å; V452-F461 PolarHBondContact O-N 3.5Å; V452-F463 HydrophobicContact CG2-CE1 4.27Å
453	F	98.8	Very high	98.1	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157	-175.1	-59.2	-95.7	0	0	0	110.8	F416 F426 N439 I440 V442 Q451 G457 S458 F459	F416-F453 HydrophobicContact CD2-CD1 4.17Å; F416-F453 HydrophobicContact CD2-CE1 4.28Å; F416-F453 HydrophobicContact CE2-CB 4.33Å; F416-F453 AromaticContact CE2-CD1 3.85Å; F416-F453 HydrophobicContact CE2-CD1 3.85Å; F416-F453 AromaticContact CE2-CD2 3.89Å; F416-F453 HydrophobicContact CE2-CD2 3.89Å; F416-F453 HydrophobicContact CE2-CE1 4.12Å; F416-F453 HydrophobicContact CE2-CE2 4.15Å; F416-F453 AromaticContact CE2-CG 3.75Å; F416-F453 HydrophobicContact CE2-CG 3.75Å; F416-F453 HydrophobicContact CE2-CZ 4.27Å; F416-F453 HydrophobicContact CZ-CB 4.48Å; F416-F453 HydrophobicContact CZ-CD2 4.45Å; F416-F453 HydrophobicContact CZ-CG 4.33Å; F426-F453 AromaticContact CE1-CE2 3.89Å; F426-F453 HydrophobicContact CE1-CE2 3.89Å; F426-F453 AromaticContact CE1-CZ 3.95Å; F426-F453 HydrophobicContact CE1-CZ 3.95Å; F426-F453 HydrophobicContact CE2-CZ 4.19Å; F426-F453 HydrophobicContact CZ-CD2 4.49Å; F426-F453 HydrophobicContact CZ-CE1 4.39Å; F426-F453 AromaticContact CZ-CE2 3.44Å; F426-F453 HydrophobicContact CZ-CE2 3.44Å; F426-F453 VanDerWaalsContact CZ-CE2 3.44Å; F426-F453 AromaticContact CZ-CZ 3.38Å; F426-F453 HydrophobicContact CZ-CZ 3.38Å; N439-F453 CarbonylContact C-O 3.56Å; N439-F453 WeakPolarHBondContact CA-O 3.48Å; N439-F453 WeakPolarHBondContact CB-O 3.28Å; I440-F453 HydrophobicContact CB-CB 4.4Å; I440-F453 PolarHBondContact N-O 3.24Å; I440-F453 PolarHBondContact O-N 3.13Å; V442-F453 HydrophobicContact CB-CE2 4.38Å; V442-F453 HydrophobicContact CG2-CD2 4.17Å; V442-F453 HydrophobicContact CG2-CE2 4.19Å; Q451-F453 HydrophobicContact CB-CD2 4.39Å; Q451-F453 HydrophobicContact CB-CE2 3.41Å; Q451-F453 VanDerWaalsContact CB-CE2 3.41Å; Q451-F453 HydrophobicContact CB-CZ 3.75Å; F453-G457 WeakPolarHBondContact CD1-O 3.45Å; F453-S458 CarbonylContact C-O 3.5Å; F453-S458 WeakPolarHBondContact CA-O 3.33Å; F453-S458 WeakPolarHBondContact CB-O 3.48Å; F453-F459 HydrophobicContact CD1-CB 4.16Å; F453-F459 HydrophobicContact CE1-CB 3.99Å; F453-F459 HydrophobicContact CE1-CD2 4.01Å; F453-F459 HydrophobicContact CZ-CD2 4.24Å
454	T	98.3	Very high	98	Very high	35 Å²	35	35.6 Å²	35.6	22%	0.215	19%	0.19	C	C	.	.			trans	-64.6	166.2	164.9	67.1	0	0	0	0	110.5	D456 G457 S458 L460	T454-D456 PolarHBondContact O-N 3.12Å; T454-D456 PolarHBondContact OG1-N 2.73Å; T454-G457 PolarHBondContact O-N 2.84Å; T454-S458 PolarHBondContact N-O 2.62Å; T454-S458 WeakPolarHBondContact OG1-CB 3.19Å; T454-S458 PolarHBondContact OG1-N 3.1Å; T454-S458 VanDerWaalsContact OG1-N 3.12Å; T454-L460 HydrophobicContact CG2-CD1 4.07Å; T454-L460 HydrophobicContact CG2-CD2 3.64Å; T454-L460 HydrophobicContact CG2-CG 3.88Å
455	Q	96	Very high	97.9	Very high	71 Å²	71	41 Å²	41	33%	0.332	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.6	175.4	73.1	-180	-8.4	0	0	114.8	R392 N438	R392-Q455 PolarHBondContact NH1-O 3.26Å; R392-Q455 VanDerWaalsContact NH1-O 3.07Å; R392-Q455 PolarHBondContact NH2-O 2.87Å; N438-Q455 HydrophobicContact CB-CB 4.42Å; N438-Q455 PolarHBondContact ND2-OE1 2.85Å; N438-Q455 WeakPolarHBondContact O-CB 3.25Å
456	D	94.2	Very high	97.9	Very high	110 Å²	110	46.7 Å²	46.7	59%	0.588	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	1.9	178	-54.6	-47.2	0	0	0	112.5	T454	T454-D456 PolarHBondContact O-N 3.12Å; T454-D456 PolarHBondContact OG1-N 2.73Å
457	G	96.3	Very high	97.8	Very high	13 Å²	13	46.1 Å²	46.1	13%	0.134	24%	0.241	C	C	.	.	S	Bend	trans	87.8	13.2	177.6	0	0	0	0	0	115.3	F453 T454	F453-G457 WeakPolarHBondContact CD1-O 3.45Å; T454-G457 PolarHBondContact O-N 2.84Å
458	S	98	Very high	97.5	Very high	71 Å²	71	52.4 Å²	52.4	50%	0.497	26%	0.262	S	S	.	.			trans	-80.3	132.8	175	-63.1	0	0	0	0	111	F453 T454 L460	F453-S458 CarbonylContact C-O 3.5Å; F453-S458 WeakPolarHBondContact CA-O 3.33Å; F453-S458 WeakPolarHBondContact CB-O 3.48Å; T454-S458 PolarHBondContact N-O 2.62Å; T454-S458 WeakPolarHBondContact OG1-CB 3.19Å; T454-S458 PolarHBondContact OG1-N 3.1Å; T454-S458 VanDerWaalsContact OG1-N 3.12Å; S458-L460 PolarHBondContact O-N 2.76Å
459	F	98.2	Very high	97.2	Very high	66 Å²	66	58.3 Å²	58.3	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	132.1	-178.5	175.8	-93.5	0	0	0	111.7	N423 Q451 F453 F461 K462	N423-F459 HydrophobicContact CB-CD1 3.88Å; N423-F459 HydrophobicContact CB-CD2 3.91Å; N423-F459 HydrophobicContact CB-CE1 3.8Å; N423-F459 HydrophobicContact CB-CE2 3.81Å; N423-F459 HydrophobicContact CB-CG 3.93Å; N423-F459 HydrophobicContact CB-CZ 3.75Å; N423-F459 VanDerWaalsContact CG-CZ 3.44Å; N423-F459 VanDerWaalsContact ND2-CE1 3.3Å; N423-F459 WeakPolarHBondContact ND2-CE1 3.44Å; Q451-F459 HydrophobicContact CG-CE2 4.41Å; F453-F459 HydrophobicContact CD1-CB 4.16Å; F453-F459 HydrophobicContact CE1-CB 3.99Å; F453-F459 HydrophobicContact CE1-CD2 4.01Å; F453-F459 HydrophobicContact CZ-CD2 4.24Å; F459-F461 WeakPolarHBondContact CE2-O 3.35Å; F459-F461 VanDerWaalsContact CZ-CA 3.44Å; F459-K462 HydrophobicContact CE2-CB 4.04Å; F459-K462 HydrophobicContact CZ-CB 4.1Å; F459-K462 HydrophobicContact CZ-CD 4.38Å; F459-K462 HydrophobicContact CZ-CG 4.23Å
460	L	98	Very high	96.8	Very high	75 Å²	75	61.6 Å²	61.6	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-64.2	173.9	-66.7	173.4	0	0	0	110.8	N439 V452 T454 S458	N439-L460 HydrophobicContact CB-CD1 4.26Å; V452-L460 HydrophobicContact CG1-CD1 4.26Å; V452-L460 WeakPolarHBondContact O-CB 3.29Å; V452-L460 PolarHBondContact O-N 2.84Å; T454-L460 HydrophobicContact CG2-CD1 4.07Å; T454-L460 HydrophobicContact CG2-CD2 3.64Å; T454-L460 HydrophobicContact CG2-CG 3.88Å; S458-L460 PolarHBondContact O-N 2.76Å
461	F	98.3	Very high	96.6	Very high	62 Å²	62	63.7 Å²	63.7	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	174.4	-179.8	63.8	-88.1	0	0	0	111.2	V452 F459 F463 A502	V452-F461 HydrophobicContact CB-CD1 4.18Å; V452-F461 HydrophobicContact CB-CD2 4.46Å; V452-F461 HydrophobicContact CB-CE1 3.81Å; V452-F461 HydrophobicContact CB-CE2 4.12Å; V452-F461 HydrophobicContact CB-CG 4.48Å; V452-F461 HydrophobicContact CB-CZ 3.76Å; V452-F461 HydrophobicContact CG1-CE1 3.91Å; V452-F461 HydrophobicContact CG1-CZ 4.03Å; V452-F461 HydrophobicContact CG2-CD2 4.2Å; V452-F461 HydrophobicContact CG2-CE1 4.08Å; V452-F461 HydrophobicContact CG2-CE2 3.56Å; V452-F461 HydrophobicContact CG2-CZ 3.49Å; V452-F461 VanDerWaalsContact CG2-CZ 3.49Å; V452-F461 PolarHBondContact N-O 3.23Å; V452-F461 PolarHBondContact O-N 3.5Å; F459-F461 WeakPolarHBondContact CE2-O 3.35Å; F459-F461 VanDerWaalsContact CZ-CA 3.44Å; F461-F463 HydrophobicContact CD2-CD1 4.25Å; F461-F463 AromaticContact CE2-CD1 3.94Å; F461-F463 HydrophobicContact CE2-CD1 3.94Å; F461-F463 HydrophobicContact CE2-CE1 4.17Å; F461-A502 WeakPolarHBondContact CZ-O 3.12Å
462	K	98.2	Very high	96.5	Very high	90 Å²	90	65.6 Å²	65.6	39%	0.391	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.7	175.2	71.4	-172.7	-176.1	-167.3	0	110.6	N423 V450 Q451 F459	N423-K462 WeakPolarHBondContact OD1-CD 3.34Å; N423-K462 WeakPolarHBondContact OD1-CE 3.44Å; N423-K462 PolarHBondContact OD1-NZ 3.32Å; V450-K462 VanDerWaalsContact O-CA 3.24Å; V450-K462 WeakPolarHBondContact O-CA 3.08Å; V450-K462 WeakPolarHBondContact O-CB 3.02Å; Q451-K462 HydrophobicContact CG-CB 3.85Å; F459-K462 HydrophobicContact CE2-CB 4.04Å; F459-K462 HydrophobicContact CZ-CB 4.1Å; F459-K462 HydrophobicContact CZ-CD 4.38Å; F459-K462 HydrophobicContact CZ-CG 4.23Å
463	F	98.5	Very high	96.5	Very high	24 Å²	24	65.5 Å²	65.5	11%	0.105	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.8	172.9	60.6	-83.9	0	0	0	110	V450 V452 F461 F473 I487 F500	V450-F463 HydrophobicContact CB-CD1 4.35Å; V450-F463 HydrophobicContact CB-CD2 4.38Å; V450-F463 HydrophobicContact CB-CE1 3.88Å; V450-F463 HydrophobicContact CB-CE2 3.91Å; V450-F463 HydrophobicContact CB-CZ 3.65Å; V450-F463 HydrophobicContact CG1-CE1 3.79Å; V450-F463 HydrophobicContact CG1-CE2 4.38Å; V450-F463 HydrophobicContact CG1-CZ 3.64Å; V450-F463 HydrophobicContact CG2-CE2 4.04Å; V450-F463 HydrophobicContact CG2-CZ 4.11Å; V450-F463 PolarHBondContact N-O 2.74Å; V450-F463 PolarHBondContact O-N 3.09Å; V452-F463 HydrophobicContact CG2-CE1 4.27Å; F461-F463 HydrophobicContact CD2-CD1 4.25Å; F461-F463 AromaticContact CE2-CD1 3.94Å; F461-F463 HydrophobicContact CE2-CD1 3.94Å; F461-F463 HydrophobicContact CE2-CE1 4.17Å; F463-F473 HydrophobicContact CD2-CE2 4.31Å; F463-F473 HydrophobicContact CD2-CZ 4.5Å; F463-F473 HydrophobicContact CE2-CE2 4.42Å; F463-F473 HydrophobicContact CE2-CZ 4.26Å; F463-I487 HydrophobicContact CZ-CG2 4.44Å; F463-F500 HydrophobicContact CD2-CD1 4Å; F463-F500 HydrophobicContact CD2-CE1 4.12Å; F463-F500 HydrophobicContact CD2-CG 4.33Å; F463-F500 HydrophobicContact CE2-CB 4.24Å; F463-F500 AromaticContact CE2-CD1 3.83Å; F463-F500 HydrophobicContact CE2-CD1 3.83Å; F463-F500 AromaticContact CE2-CD2 3.82Å; F463-F500 HydrophobicContact CE2-CD2 3.82Å; F463-F500 HydrophobicContact CE2-CE1 4.15Å; F463-F500 HydrophobicContact CE2-CE2 4.13Å; F463-F500 AromaticContact CE2-CG 3.68Å; F463-F500 HydrophobicContact CE2-CG 3.68Å; F463-F500 HydrophobicContact CE2-CZ 4.3Å; F463-F500 HydrophobicContact CZ-CB 4.44Å; F463-F500 HydrophobicContact CZ-CG 4.34Å
464	G	97.4	Very high	96.4	Very high	26 Å²	26	66.9 Å²	66.9	27%	0.268	34%	0.338	S	S	.	.			trans	91.9	149.6	-174.6	0	0	0	0	0	114.4	H448 R449 S471	H448-G464 CarbonylContact O-C 3.31Å; R449-G464 WeakPolarHBondContact CB-O 3.34Å; G464-S471 WeakPolarHBondContact CA-O 3.3Å
465	E	97.1	Very high	96.4	Very high	115 Å²	115	69.1 Å²	69.1	54%	0.537	34%	0.343	S	S	.	.			trans	-151.1	171.7	173.8	62.6	178.3	-167.1	0	0	109.2	H448 G467 Q472 F473	H448-E465 CarbonylContact O-C 3.58Å; H448-E465 VanDerWaalsContact O-C 3.31Å; H448-E465 WeakPolarHBondContact O-CA 3.26Å; H448-E465 PolarHBondContact O-N 2.96Å; E465-G467 PolarHBondContact O-N 3.45Å; E465-Q472 HydrophobicContact CG-CG 3.87Å; E465-Q472 CarbonylContact O-C 3.37Å; E465-Q472 WeakPolarHBondContact O-CA 3.34Å; E465-Q472 PolarHBondContact OE1-NE2 3.01Å; E465-F473 PolarHBondContact O-N 3.13Å
466	K	98.3	Very high	96.6	Very high	133 Å²	133	65.7 Å²	65.7	58%	0.578	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-65.7	124.9	178.9	-173	173	-173	167.1	0	111.6	H448 F473	H448-K466 HydrophobicContact CB-CB 3.83Å; H448-K466 HydrophobicContact CB-CG 4.45Å; K466-F473 VanDerWaalsContact CA-O 3.3Å; K466-F473 WeakPolarHBondContact CA-O 3.41Å
467	G	96.2	Very high	96.8	Very high	16 Å²	16	61.9 Å²	61.9	17%	0.165	31%	0.305	C	S	.	.	S	Bend	trans	166.7	-166.3	171.9	0	0	0	0	0	114	E465 Q472 F473 N494	E465-G467 PolarHBondContact O-N 3.45Å; G467-Q472 VanDerWaalsContact CA-OE1 3.31Å; G467-F473 PolarHBondContact N-O 3.43Å; G467-F473 CarbonylContact O-C 3.56Å; G467-N494 PolarHBondContact O-ND2 3.17Å
468	R	92.1	Very high	96.9	Very high	166 Å²	166	61.5 Å²	61.5	63%	0.626	30%	0.299	S	S	*	.	S	Bend	trans	-119.4	-13.6	-177.1	-62.7	-173.8	176.4	178.3	-0.8	113	R496	R468-R496 VanDerWaalsContact O-CZ 3.3Å; R468-R496 PolarHBondContact O-NH1 3.19Å; R468-R496 PolarHBondContact O-NH2 2.89Å
469	E	92.1	Very high	96.9	Very high	134 Å²	134	58.3 Å²	58.3	63%	0.626	28%	0.277	S	S	*	.	S	Bend	trans	-75	172.6	-178.6	-59.4	-53.3	143.3	0	0	111.7	Q472 R496	E469-Q472 HydrophobicContact CB-CG 4.3Å; E469-Q472 VanDerWaalsContact N-OE1 3.08Å; E469-Q472 WeakPolarHBondContact O-CB 3.18Å; E469-Q472 PolarHBondContact O-N 3.33Å; E469-Q472 VanDerWaalsContact O-N 3.09Å; E469-R496 PolarHBondContact O-NH2 3.14Å
470	I	90.6	Very high	96.9	Very high	83 Å²	83	55.4 Å²	55.4	43%	0.426	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	140.5	172.8	-69.1	172	0	0	0	109.7	Q472 F506	I470-Q472 PolarHBondContact O-N 3.36Å; I470-F506 HydrophobicContact CD1-CE1 4.19Å; I470-F506 HydrophobicContact CD1-CZ 4.27Å; I470-F506 HydrophobicContact CG1-CZ 4.28Å; I470-F506 HydrophobicContact CG2-CB 3.93Å; I470-F506 HydrophobicContact CG2-CD1 3.49Å; I470-F506 VanDerWaalsContact CG2-CD1 3.49Å; I470-F506 HydrophobicContact CG2-CD2 3.48Å; I470-F506 VanDerWaalsContact CG2-CD2 3.48Å; I470-F506 HydrophobicContact CG2-CE1 3.74Å; I470-F506 HydrophobicContact CG2-CE2 3.71Å; I470-F506 HydrophobicContact CG2-CG 3.33Å; I470-F506 HydrophobicContact CG2-CZ 3.83Å
471	S	94.3	Very high	96.9	Very high	45 Å²	45	53 Å²	53	32%	0.315	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-2.2	-175.2	-53.4	0	0	0	0	115.5	G464 Q498 F506	G464-S471 WeakPolarHBondContact CA-O 3.3Å; S471-Q498 VanDerWaalsContact N-OE1 3.11Å; S471-F506 WeakPolarHBondContact OG-CB 3.45Å
472	Q	96.9	Very high	96.8	Very high	40 Å²	40	50.7 Å²	50.7	19%	0.187	25%	0.245	C	C	.	.			trans	-95.6	158	168.9	-59.1	-175.8	-35.8	0	0	110.3	E465 G467 E469 I470 R496 Q498	E465-Q472 HydrophobicContact CG-CG 3.87Å; E465-Q472 CarbonylContact O-C 3.37Å; E465-Q472 WeakPolarHBondContact O-CA 3.34Å; E465-Q472 PolarHBondContact OE1-NE2 3.01Å; G467-Q472 VanDerWaalsContact CA-OE1 3.31Å; E469-Q472 HydrophobicContact CB-CG 4.3Å; E469-Q472 VanDerWaalsContact N-OE1 3.08Å; E469-Q472 WeakPolarHBondContact O-CB 3.18Å; E469-Q472 PolarHBondContact O-N 3.33Å; E469-Q472 VanDerWaalsContact O-N 3.09Å; I470-Q472 PolarHBondContact O-N 3.36Å; Q472-R496 PolarHBondContact O-NH2 2.96Å; Q472-Q498 PolarHBondContact O-NE2 3.11Å
473	F	98.3	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-132.1	153	-179.8	-57.4	-71.7	0	0	0	112.4	H448 V450 F463 E465 K466 G467 P476 I489 D491 Q498 F500	H448-F473 PolarHBondContact ND1-O 3.03Å; V450-F473 HydrophobicContact CG2-CE2 3.99Å; V450-F473 HydrophobicContact CG2-CZ 4.18Å; F463-F473 HydrophobicContact CD2-CE2 4.31Å; F463-F473 HydrophobicContact CD2-CZ 4.5Å; F463-F473 HydrophobicContact CE2-CE2 4.42Å; F463-F473 HydrophobicContact CE2-CZ 4.26Å; E465-F473 PolarHBondContact O-N 3.13Å; K466-F473 VanDerWaalsContact CA-O 3.3Å; K466-F473 WeakPolarHBondContact CA-O 3.41Å; G467-F473 PolarHBondContact N-O 3.43Å; G467-F473 CarbonylContact O-C 3.56Å; F473-P476 HydrophobicContact CB-CB 4.01Å; F473-P476 HydrophobicContact CB-CG 3.74Å; F473-P476 HydrophobicContact CD1-CB 4.09Å; F473-P476 HydrophobicContact CG-CB 4.07Å; F473-P476 HydrophobicContact CG-CG 4.08Å; F473-I489 HydrophobicContact CD1-CG2 4.09Å; F473-I489 HydrophobicContact CE1-CB 3.89Å; F473-I489 HydrophobicContact CE1-CG1 4.36Å; F473-I489 HydrophobicContact CE1-CG2 3.58Å; F473-I489 HydrophobicContact CZ-CB 4.24Å; F473-I489 HydrophobicContact CZ-CG1 4.2Å; F473-I489 HydrophobicContact CZ-CG2 4.06Å; F473-D491 HydrophobicContact CD1-CB 4.08Å; F473-Q498 HydrophobicContact CE1-CB 4.41Å; F473-F500 AromaticContact CE1-CE2 3.86Å; F473-F500 HydrophobicContact CE1-CE2 3.86Å; F473-F500 AromaticContact CE1-CZ 3.93Å; F473-F500 HydrophobicContact CE1-CZ 3.93Å; F473-F500 HydrophobicContact CE2-CZ 4.38Å; F473-F500 HydrophobicContact CZ-CE1 4.43Å; F473-F500 AromaticContact CZ-CE2 3.5Å; F473-F500 HydrophobicContact CZ-CE2 3.5Å; F473-F500 VanDerWaalsContact CZ-CE2 3.5Å; F473-F500 AromaticContact CZ-CZ 3.44Å; F473-F500 HydrophobicContact CZ-CZ 3.44Å; F473-F500 VanDerWaalsContact CZ-CZ 3.44Å
474	N	98	Very high	96	Very high	29 Å²	29	57.2 Å²	57.2	16%	0.155	29%	0.289	C	S	.	.	S	Bend	trans	-128.9	97.6	170.8	-168.6	8.8	0	0	0	109.3	H448 D491 R493 N494	H448-N474 WeakPolarHBondContact ND1-CA 3.26Å; N474-D491 PolarHBondContact N-OD1 3.19Å; N474-R493 HydrophobicContact CB-CB 4.01Å; N474-R493 WeakPolarHBondContact ND2-CB 3.46Å; N474-R493 VanDerWaalsContact O-CB 3.26Å; N474-R493 WeakPolarHBondContact O-CB 3.4Å; N474-R493 PolarHBondContact O-N 2.82Å; N474-R493 VanDerWaalsContact O-N 3.08Å; N474-N494 WeakPolarHBondContact CB-ND2 3.3Å; N474-N494 VanDerWaalsContact CB-OD1 3.3Å; N474-N494 WeakPolarHBondContact CB-OD1 3.45Å; N474-N494 PolarHBondContact N-ND2 3.08Å
475	Y	98.2	Very high	95.9	Very high	82 Å²	82	56.7 Å²	56.7	32%	0.322	28%	0.279	S	S	.	.	S	Bend	trans	50	63.7	-171.6	-59.5	-73.7	0	0	0	111.8	K445 D446 H448 T492 R493	K445-Y475 HydrophobicContact CG-CD1 4.24Å; D446-Y475 WeakPolarHBondContact OD1-CD1 3.37Å; D446-Y475 WeakPolarHBondContact OD1-CE1 3.34Å; H448-Y475 AromaticContact CE1-CD1 3.87Å; H448-Y475 AromaticContact CE1-CD2 3.77Å; H448-Y475 AromaticContact CE1-CE1 3.85Å; H448-Y475 AromaticContact CE1-CE2 3.77Å; H448-Y475 AromaticContact CE1-CG 3.85Å; H448-Y475 AromaticContact CE1-CZ 3.81Å; H448-Y475 PolarHBondContact CE1-N 3.09Å; H448-Y475 PolarHBondContact ND1-N 3.28Å; H448-Y475 AromaticContact NE2-CE1 3.85Å; H448-Y475 AromaticContact NE2-CZ 3.88Å; Y475-T492 WeakPolarHBondContact O-CB 3.49Å; Y475-R493 HydrophobicContact CD2-CB 4.38Å; Y475-R493 HydrophobicContact CD2-CG 3.78Å; Y475-R493 HydrophobicContact CG-CG 4.35Å
476	P	98.6	Very high	95.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	147.8	172.3	30.2	-32.6	0	0	0	108.9	V443 K445 F473 I489 S490	V443-P476 VanDerWaalsContact CG1-C 3.49Å; V443-P476 HydrophobicContact CG1-CB 3.74Å; V443-P476 HydrophobicContact CG1-CG 3.76Å; V443-P476 VanDerWaalsContact CG1-O 3.29Å; V443-P476 WeakPolarHBondContact CG1-O 3.44Å; K445-P476 VanDerWaalsContact CB-O 3.29Å; K445-P476 WeakPolarHBondContact CB-O 3.31Å; K445-P476 VanDerWaalsContact CG-O 3.3Å; K445-P476 WeakPolarHBondContact CG-O 3.49Å; F473-P476 HydrophobicContact CB-CB 4.01Å; F473-P476 HydrophobicContact CB-CG 3.74Å; F473-P476 HydrophobicContact CD1-CB 4.09Å; F473-P476 HydrophobicContact CG-CB 4.07Å; F473-P476 HydrophobicContact CG-CG 4.08Å; P476-I489 HydrophobicContact CB-CG2 3.79Å; P476-S490 CarbonylContact C-O 3.23Å; P476-S490 VanDerWaalsContact CA-O 3.22Å; P476-S490 WeakPolarHBondContact CA-O 3.48Å
477	W	98.6	Very high	95.9	Very high	30 Å²	30	45.7 Å²	45.7	11%	0.114	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-55.5	-168.4	-158.4	-78.7	0	0	0	113	W383 T430 G431 K445 S490 T492 R525	W383-W477 AromaticContact CD1-NE1 3.76Å; W383-W477 AromaticContact CD2-NE1 3.5Å; W383-W477 AromaticContact CE2-CD1 3.54Å; W383-W477 AromaticContact CE2-NE1 2.91Å; W383-W477 AromaticContact CH2-CD1 3.58Å; W383-W477 AromaticContact CH2-NE1 3.88Å; W383-W477 AromaticContact CZ2-CD1 3.29Å; W383-W477 AromaticContact CZ2-NE1 3.14Å; W383-W477 AromaticContact NE1-CE2 3.86Å; W383-W477 AromaticContact NE1-NE1 3.07Å; T430-W477 WeakPolarHBondContact CB-O 3.02Å; T430-W477 PolarHBondContact OG1-O 3.4Å; G431-W477 PolarHBondContact N-O 2.88Å; K445-W477 HydrophobicContact CD-CD2 4.4Å; K445-W477 HydrophobicContact CD-CE3 3.77Å; K445-W477 HydrophobicContact CD-CH2 4.3Å; K445-W477 HydrophobicContact CD-CZ3 3.74Å; W477-S490 PolarHBondContact N-O 2.84Å; W477-T492 WeakPolarHBondContact CB-OG1 3.48Å; W477-R525 HydrophobicContact CG-CG 4.21Å
478	D	98.7	Very high	96	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.9	-176.8	-157.1	13.8	0	0	0	113.3	W383 G431 I489 S490 R525 G526 L527	W383-D478 HydrophobicContact CH2-CB 3.73Å; W383-D478 HydrophobicContact CZ3-CB 3.83Å; W383-D478 VanDerWaalsContact CZ3-CG 3.45Å; W383-D478 WeakPolarHBondContact CZ3-OD1 3.27Å; G431-D478 WeakPolarHBondContact CA-OD1 3.28Å; D478-I489 WeakPolarHBondContact O-CA 3.44Å; D478-S490 WeakPolarHBondContact CB-OG 3.46Å; D478-S490 PolarHBondContact N-OG 2.82Å; D478-S490 PolarHBondContact O-N 2.95Å; D478-R525 WeakPolarHBondContact CB-O 3.29Å; D478-G526 WeakPolarHBondContact OD2-CA 3.29Å; D478-L527 PolarHBondContact OD2-N 3.07Å
479	V	98.8	Very high	96.3	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.8	176.1	56.1	0	0	0	0	111.1	A433 V441 V443 V481 I487 A488 I489	A433-V479 HydrophobicContact CB-CG1 3.94Å; A433-V479 HydrophobicContact CB-CG2 4.23Å; V441-V479 HydrophobicContact CB-CG2 4.31Å; V441-V479 HydrophobicContact CG1-CG2 3.8Å; V443-V479 HydrophobicContact CG2-CB 3.68Å; V443-V479 HydrophobicContact CG2-CG1 3.8Å; V479-V481 HydrophobicContact CG2-CG2 4.44Å; V479-I487 HydrophobicContact CG2-CG2 3.57Å; V479-A488 CarbonylContact C-O 3.5Å; V479-A488 VanDerWaalsContact CA-O 3.23Å; V479-A488 WeakPolarHBondContact CA-O 3.33Å; V479-I489 HydrophobicContact CB-CD1 3.58Å; V479-I489 HydrophobicContact CG2-CD1 3.46Å; V479-I489 VanDerWaalsContact CG2-CD1 3.46Å
480	A	98.6	Very high	96.6	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.6	165.9	0	0	0	0	0	110	I487 A488 L527 F529 L535	A480-I487 CarbonylContact O-C 3.5Å; A480-I487 WeakPolarHBondContact O-CA 3.48Å; A480-A488 PolarHBondContact N-O 3.15Å; A480-A488 PolarHBondContact O-N 2.81Å; A480-L527 HydrophobicContact CB-CB 3.68Å; A480-F529 HydrophobicContact CB-CD2 3.8Å; A480-F529 HydrophobicContact CB-CE2 4.12Å; A480-L535 HydrophobicContact CB-CD1 4.43Å
481	V	98	Very high	96.9	Very high	25 Å²	25	26.7 Å²	26.7	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.6	176.6	-173.2	0	0	0	0	109.6	A433 T435 V441 V479 I486 I487	A433-V481 HydrophobicContact CB-CG2 3.84Å; T435-V481 HydrophobicContact CG2-CG1 4.43Å; V441-V481 HydrophobicContact CG2-CG2 4.17Å; V479-V481 HydrophobicContact CG2-CG2 4.44Å; V481-I486 CarbonylContact C-O 3.54Å; V481-I486 WeakPolarHBondContact CA-O 3.46Å; V481-I487 HydrophobicContact CG2-CG1 4.23Å
482	S	95.3	Very high	96.9	Very high	14 Å²	14	24.7 Å²	24.7	10%	0.098	13%	0.129	C	C	.	.			trans	-78.4	170.7	178	78.7	0	0	0	0	112	E484 D485 I486	S482-E484 PolarHBondContact O-N 2.84Å; S482-E484 VanDerWaalsContact O-N 3.16Å; S482-E484 PolarHBondContact OG-N 3.36Å; S482-E484 VanDerWaalsContact OG-N 3.17Å; S482-D485 PolarHBondContact O-N 2.8Å; S482-I486 PolarHBondContact N-O 2.73Å; S482-I486 WeakPolarHBondContact OG-CB 3.46Å; S482-I486 PolarHBondContact OG-N 3.04Å; S482-I486 VanDerWaalsContact OG-N 3.08Å
483	S	88.9	Confident	96.8	Very high	101 Å²	101	29.6 Å²	29.6	71%	0.706	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.2	171	50.2	0	0	0	0	114.1	T436	T436-S483 VanDerWaalsContact CG2-O 3.31Å; T436-S483 WeakPolarHBondContact CG2-O 3.45Å
484	E	90.9	Very high	96.6	Very high	150 Å²	150	29.7 Å²	29.7	70%	0.701	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	10.6	177.4	-61.5	174.3	172.4	0	0	112.4	S482 I486	S482-E484 PolarHBondContact O-N 2.84Å; S482-E484 VanDerWaalsContact O-N 3.16Å; S482-E484 PolarHBondContact OG-N 3.36Å; S482-E484 VanDerWaalsContact OG-N 3.17Å; E484-I486 VanDerWaalsContact C-N 3.25Å; E484-I486 HydrophobicContact CB-CG1 4.43Å; E484-I486 PolarHBondContact O-N 2.9Å
485	D	95.5	Very high	96.4	Very high	14 Å²	14	31.5 Å²	31.5	8%	0.075	15%	0.153	C	C	.	.			trans	58.4	31.6	-173.6	-73.7	-36.5	0	0	0	114.9	T435 T436 S482 T501 A502	T435-D485 VanDerWaalsContact CA-OD1 3.27Å; T435-D485 WeakPolarHBondContact CA-OD1 3.49Å; T435-D485 WeakPolarHBondContact CB-OD1 3.33Å; T436-D485 WeakPolarHBondContact CB-OD2 3.28Å; T436-D485 WeakPolarHBondContact CG2-OD1 3.47Å; T436-D485 PolarHBondContact N-OD1 2.85Å; T436-D485 PolarHBondContact OG1-OD2 2.86Å; S482-D485 PolarHBondContact O-N 2.8Å; D485-T501 CarbonylContact O-C 3.49Å; D485-A502 HydrophobicContact CB-CB 3.59Å; D485-A502 WeakPolarHBondContact O-CA 3.43Å; D485-A502 PolarHBondContact O-N 3.48Å
486	I	96.9	Very high	96.2	Very high	17 Å²	17	27.7 Å²	27.7	9%	0.087	14%	0.139	C	C	.	.			trans	-77.7	124.7	163.5	-58.2	-57.7	0	0	0	108.6	V481 S482 E484 L499 F500 W507 F529	V481-I486 CarbonylContact C-O 3.54Å; V481-I486 WeakPolarHBondContact CA-O 3.46Å; S482-I486 PolarHBondContact N-O 2.73Å; S482-I486 WeakPolarHBondContact OG-CB 3.46Å; S482-I486 PolarHBondContact OG-N 3.04Å; S482-I486 VanDerWaalsContact OG-N 3.08Å; E484-I486 VanDerWaalsContact C-N 3.25Å; E484-I486 HydrophobicContact CB-CG1 4.43Å; E484-I486 PolarHBondContact O-N 2.9Å; I486-L499 HydrophobicContact CG2-CB 4.03Å; I486-L499 HydrophobicContact CG2-CD2 4.01Å; I486-L499 HydrophobicContact CG2-CG 4.09Å; I486-F500 CarbonylContact C-O 3.56Å; I486-F500 WeakPolarHBondContact CA-O 3.49Å; I486-W507 HydrophobicContact CB-CE3 4.28Å; I486-W507 HydrophobicContact CB-CZ3 4.11Å; I486-W507 HydrophobicContact CD1-CD2 4.06Å; I486-W507 HydrophobicContact CD1-CE3 3.69Å; I486-W507 HydrophobicContact CD1-CH2 4.26Å; I486-W507 HydrophobicContact CD1-CZ3 3.81Å; I486-W507 HydrophobicContact CG1-CE3 3.9Å; I486-W507 HydrophobicContact CG1-CH2 4.11Å; I486-W507 HydrophobicContact CG1-CZ3 3.57Å; I486-W507 HydrophobicContact CG2-CE3 3.43Å; I486-W507 VanDerWaalsContact CG2-CE3 3.43Å; I486-W507 HydrophobicContact CG2-CZ3 3.56Å; I486-F529 HydrophobicContact CG2-CZ 4.45Å
487	I	98.5	Very high	96	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.8	-179.2	-53.4	177	0	0	0	108.6	V441 F463 V479 A480 V481 I489 L499 F500	V441-I487 HydrophobicContact CG1-CD1 4.49Å; V441-I487 HydrophobicContact CG1-CG2 4.11Å; V441-I487 HydrophobicContact CG2-CD1 4.28Å; F463-I487 HydrophobicContact CZ-CG2 4.44Å; V479-I487 HydrophobicContact CG2-CG2 3.57Å; A480-I487 CarbonylContact O-C 3.5Å; A480-I487 WeakPolarHBondContact O-CA 3.48Å; V481-I487 HydrophobicContact CG2-CG1 4.23Å; I487-I489 HydrophobicContact CG2-CD1 3.79Å; I487-I489 HydrophobicContact CG2-CG1 4.29Å; I487-L499 CarbonylContact O-C 3.59Å; I487-L499 VanDerWaalsContact O-CA 3.32Å; I487-L499 WeakPolarHBondContact O-CA 3.4Å; I487-F500 HydrophobicContact CB-CB 4.39Å; I487-F500 PolarHBondContact N-O 2.81Å; I487-F500 PolarHBondContact O-N 2.85Å
488	A	98.3	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.8	173.5	0	0	0	0	0	110.4	V479 A480 V497 Q498 L499 L527 F529 L535	V479-A488 CarbonylContact C-O 3.5Å; V479-A488 VanDerWaalsContact CA-O 3.23Å; V479-A488 WeakPolarHBondContact CA-O 3.33Å; A480-A488 PolarHBondContact N-O 3.15Å; A480-A488 PolarHBondContact O-N 2.81Å; A488-V497 HydrophobicContact CB-CG1 4.46Å; A488-Q498 CarbonylContact C-O 3.53Å; A488-Q498 WeakPolarHBondContact CA-O 3.35Å; A488-L499 HydrophobicContact CB-CD1 4.15Å; A488-L499 HydrophobicContact CB-CG 4.12Å; A488-L527 HydrophobicContact CB-CD1 4.1Å; A488-L527 WeakPolarHBondContact O-CD1 3.42Å; A488-F529 HydrophobicContact CB-CE2 3.75Å; A488-F529 HydrophobicContact CB-CZ 3.89Å; A488-L535 HydrophobicContact CB-CD1 3.95Å; A488-L535 HydrophobicContact CB-CD2 3.81Å
489	I	98.7	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.5	-178.3	-53.6	-64	0	0	0	109.8	V443 V450 F473 P476 D478 V479 I487 D491 V497 Q498 F500	V443-I489 HydrophobicContact CG2-CD1 4.22Å; V450-I489 HydrophobicContact CG1-CD1 4.23Å; V450-I489 HydrophobicContact CG2-CD1 3.66Å; V450-I489 HydrophobicContact CG2-CG1 3.99Å; V450-I489 HydrophobicContact CG2-CG2 4.32Å; F473-I489 HydrophobicContact CD1-CG2 4.09Å; F473-I489 HydrophobicContact CE1-CB 3.89Å; F473-I489 HydrophobicContact CE1-CG1 4.36Å; F473-I489 HydrophobicContact CE1-CG2 3.58Å; F473-I489 HydrophobicContact CZ-CB 4.24Å; F473-I489 HydrophobicContact CZ-CG1 4.2Å; F473-I489 HydrophobicContact CZ-CG2 4.06Å; P476-I489 HydrophobicContact CB-CG2 3.79Å; D478-I489 WeakPolarHBondContact O-CA 3.44Å; V479-I489 HydrophobicContact CB-CD1 3.58Å; V479-I489 HydrophobicContact CG2-CD1 3.46Å; V479-I489 VanDerWaalsContact CG2-CD1 3.46Å; I487-I489 HydrophobicContact CG2-CD1 3.79Å; I487-I489 HydrophobicContact CG2-CG1 4.29Å; I489-D491 PolarHBondContact O-N 2.86Å; I489-V497 CarbonylContact O-C 3.5Å; I489-V497 WeakPolarHBondContact O-CA 3.34Å; I489-V497 WeakPolarHBondContact O-CG1 3.12Å; I489-Q498 PolarHBondContact N-O 2.88Å; I489-Q498 PolarHBondContact O-N 3.13Å; I489-F500 HydrophobicContact CB-CE2 4.43Å; I489-F500 HydrophobicContact CG1-CD2 4.07Å; I489-F500 HydrophobicContact CG1-CE2 4.07Å
490	S	97.7	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.3	173.2	58	0	0	0	0	109.6	P476 W477 D478 T492 R525	P476-S490 CarbonylContact C-O 3.23Å; P476-S490 VanDerWaalsContact CA-O 3.22Å; P476-S490 WeakPolarHBondContact CA-O 3.48Å; W477-S490 PolarHBondContact N-O 2.84Å; D478-S490 WeakPolarHBondContact CB-OG 3.46Å; D478-S490 PolarHBondContact N-OG 2.82Å; D478-S490 PolarHBondContact O-N 2.95Å; S490-T492 PolarHBondContact O-N 3.5Å; S490-R525 WeakPolarHBondContact CB-O 3.44Å; S490-R525 PolarHBondContact OG-O 2.87Å
491	D	96.5	Very high	95.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	75.7	-176.3	-172.7	6	0	0	0	109.2	F473 N474 I489 R493 N494 H495 R496 Q498	F473-D491 HydrophobicContact CD1-CB 4.08Å; N474-D491 PolarHBondContact N-OD1 3.19Å; I489-D491 PolarHBondContact O-N 2.86Å; D491-R493 PolarHBondContact O-N 2.84Å; D491-N494 HydrophobicContact CB-CB 4.43Å; D491-N494 CarbonylContact O-C 3.6Å; D491-N494 PolarHBondContact O-N 3.19Å; D491-N494 PolarHBondContact OD1-ND2 2.9Å; D491-N494 WeakPolarHBondContact OD2-CB 3.38Å; D491-N494 PolarHBondContact OD2-ND2 3.42Å; D491-H495 PolarHBondContact O-N 3.12Å; D491-R496 WeakPolarHBondContact CA-O 3.24Å; D491-R496 HydrophobicContact CB-CG 3.74Å; D491-R496 PolarHBondContact N-O 3.26Å; D491-R496 PolarHBondContact O-N 3.03Å; D491-R496 IonicContact OD2-CZ 3.14Å; D491-R496 IonicContact OD2-NE 2.81Å; D491-R496 PolarHBondContact OD2-NE 3.3Å; D491-R496 IonicContact OD2-NH2 2.66Å; D491-R496 PolarHBondContact OD2-NH2 2.94Å; D491-R496 VanDerWaalsContact OD2-NH2 3.08Å; D491-Q498 PolarHBondContact OD2-NE2 3Å
492	T	95.7	Very high	95.3	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-54.9	-48.5	-160.3	-59.5	0	0	0	0	113.9	Y475 W477 S490 N494 H495 S523 P524	Y475-T492 WeakPolarHBondContact O-CB 3.49Å; W477-T492 WeakPolarHBondContact CB-OG1 3.48Å; S490-T492 PolarHBondContact O-N 3.5Å; T492-N494 VanDerWaalsContact C-N 3.29Å; T492-N494 PolarHBondContact O-N 3.05Å; T492-H495 PolarHBondContact O-N 3.44Å; T492-H495 VanDerWaalsContact O-N 3.17Å; T492-S523 WeakPolarHBondContact O-CA 3.49Å; T492-P524 PolarHBondContact OG1-O 3.08Å
493	R	94.8	Very high	95.2	Very high	144 Å²	144	32.3 Å²	32.3	54%	0.543	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-84.1	-4.7	-177.7	-62.3	-60.6	-166.7	174.4	2.3	114.1	N474 Y475 D491 H495	N474-R493 HydrophobicContact CB-CB 4.01Å; N474-R493 WeakPolarHBondContact ND2-CB 3.46Å; N474-R493 VanDerWaalsContact O-CB 3.26Å; N474-R493 WeakPolarHBondContact O-CB 3.4Å; N474-R493 PolarHBondContact O-N 2.82Å; N474-R493 VanDerWaalsContact O-N 3.08Å; Y475-R493 HydrophobicContact CD2-CB 4.38Å; Y475-R493 HydrophobicContact CD2-CG 3.78Å; Y475-R493 HydrophobicContact CG-CG 4.35Å; D491-R493 PolarHBondContact O-N 2.84Å; R493-H495 PolarHBondContact O-CD2 2.91Å
494	N	93.7	Very high	95.3	Very high	2 Å²	2	28 Å²	28	1%	0.011	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-99.8	7	165.2	-67.3	-27.4	0	0	0	111.9	G467 N474 D491 T492 R496 F512	G467-N494 PolarHBondContact O-ND2 3.17Å; N474-N494 WeakPolarHBondContact CB-ND2 3.3Å; N474-N494 VanDerWaalsContact CB-OD1 3.3Å; N474-N494 WeakPolarHBondContact CB-OD1 3.45Å; N474-N494 PolarHBondContact N-ND2 3.08Å; D491-N494 HydrophobicContact CB-CB 4.43Å; D491-N494 CarbonylContact O-C 3.6Å; D491-N494 PolarHBondContact O-N 3.19Å; D491-N494 PolarHBondContact OD1-ND2 2.9Å; D491-N494 WeakPolarHBondContact OD2-CB 3.38Å; D491-N494 PolarHBondContact OD2-ND2 3.42Å; T492-N494 VanDerWaalsContact C-N 3.29Å; T492-N494 PolarHBondContact O-N 3.05Å; N494-R496 VanDerWaalsContact C-N 3.25Å; N494-R496 HydrophobicContact CB-CG 3.96Å; N494-R496 PolarHBondContact O-N 3.37Å; N494-F512 WeakPolarHBondContact O-CD2 3.2Å
495	H	93.5	Very high	95.5	Very high	66 Å²	66	26.4 Å²	26.4	31%	0.306	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	42	170.4	-59.4	-80.8	0	0	0	112.4	D491 T492 R493 F512 F521 D522 S523	D491-H495 PolarHBondContact O-N 3.12Å; T492-H495 PolarHBondContact O-N 3.44Å; T492-H495 VanDerWaalsContact O-N 3.17Å; R493-H495 PolarHBondContact O-CD2 2.91Å; H495-F512 PolarHBondContact O-N 3.39Å; H495-F521 VanDerWaalsContact CB-O 3.32Å; H495-F521 WeakPolarHBondContact CB-O 3.34Å; H495-D522 IonicContact CE1-OD1 2.8Å; H495-D522 PolarHBondContact CE1-OD1 3.16Å; H495-D522 VanDerWaalsContact CE1-OD1 3.23Å; H495-D522 IonicContact ND1-OD1 3.4Å; H495-D522 PolarHBondContact ND1-OD1 3.23Å; H495-S523 PolarHBondContact ND1-N 2.94Å
496	R	93.6	Very high	95.5	Very high	3 Å²	3	29 Å²	29	1%	0.011	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	167.6	-173.7	70.2	-175.5	-177	-178	1	112.4	R468 E469 Q472 D491 N494 Q498 F510 F512 P524	R468-R496 VanDerWaalsContact O-CZ 3.3Å; R468-R496 PolarHBondContact O-NH1 3.19Å; R468-R496 PolarHBondContact O-NH2 2.89Å; E469-R496 PolarHBondContact O-NH2 3.14Å; Q472-R496 PolarHBondContact O-NH2 2.96Å; D491-R496 WeakPolarHBondContact CA-O 3.24Å; D491-R496 HydrophobicContact CB-CG 3.74Å; D491-R496 PolarHBondContact N-O 3.26Å; D491-R496 PolarHBondContact O-N 3.03Å; D491-R496 IonicContact OD2-CZ 3.14Å; D491-R496 IonicContact OD2-NE 2.81Å; D491-R496 PolarHBondContact OD2-NE 3.3Å; D491-R496 IonicContact OD2-NH2 2.66Å; D491-R496 PolarHBondContact OD2-NH2 2.94Å; D491-R496 VanDerWaalsContact OD2-NH2 3.08Å; N494-R496 VanDerWaalsContact C-N 3.25Å; N494-R496 HydrophobicContact CB-CG 3.96Å; N494-R496 PolarHBondContact O-N 3.37Å; R496-Q498 HydrophobicContact CG-CG 4.43Å; R496-F510 CarbonylContact C-O 3.55Å; R496-F510 WeakPolarHBondContact CA-O 3.43Å; R496-F510 WeakPolarHBondContact CB-O 3.29Å; R496-F512 HydrophobicContact CB-CB 4.26Å; R496-P524 WeakPolarHBondContact O-CG 3.46Å
497	V	94.9	Very high	95.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.4	168.1	179.4	0	0	0	0	107.9	A488 I489 L499 K509 F510 F521 P524 L527 L535	A488-V497 HydrophobicContact CB-CG1 4.46Å; I489-V497 CarbonylContact O-C 3.5Å; I489-V497 WeakPolarHBondContact O-CA 3.34Å; I489-V497 WeakPolarHBondContact O-CG1 3.12Å; V497-L499 HydrophobicContact CG1-CD1 4.01Å; V497-K509 CarbonylContact O-C 3.52Å; V497-K509 VanDerWaalsContact O-CA 3.32Å; V497-K509 WeakPolarHBondContact O-CA 3.5Å; V497-F510 PolarHBondContact N-O 2.73Å; V497-F510 PolarHBondContact O-N 2.71Å; V497-F521 HydrophobicContact CG2-CE2 4Å; V497-F521 HydrophobicContact CG2-CZ 4.03Å; V497-P524 HydrophobicContact CG2-CB 4.29Å; V497-P524 HydrophobicContact CG2-CG 4.45Å; V497-L527 HydrophobicContact CG1-CD1 4.14Å; V497-L527 HydrophobicContact CG1-CD2 4.1Å; V497-L527 HydrophobicContact CG2-CD2 4.15Å; V497-L535 HydrophobicContact CG1-CD2 4.05Å
498	Q	95.5	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139	177.8	-68.1	-171.6	87.1	0	0	110.3	S471 Q472 F473 A488 I489 D491 R496 F500 R508 K509	S471-Q498 VanDerWaalsContact N-OE1 3.11Å; Q472-Q498 PolarHBondContact O-NE2 3.11Å; F473-Q498 HydrophobicContact CE1-CB 4.41Å; A488-Q498 CarbonylContact C-O 3.53Å; A488-Q498 WeakPolarHBondContact CA-O 3.35Å; I489-Q498 PolarHBondContact N-O 2.88Å; I489-Q498 PolarHBondContact O-N 3.13Å; D491-Q498 PolarHBondContact OD2-NE2 3Å; R496-Q498 HydrophobicContact CG-CG 4.43Å; Q498-F500 HydrophobicContact CB-CD2 4.45Å; Q498-F500 HydrophobicContact CB-CE2 3.47Å; Q498-F500 VanDerWaalsContact CB-CE2 3.47Å; Q498-F500 HydrophobicContact CB-CZ 3.85Å; Q498-R508 CarbonylContact C-O 3.48Å; Q498-K509 HydrophobicContact CG-CB 4.02Å
499	L	96.2	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.1	-179.3	-79	64	0	0	0	109.3	I486 I487 A488 V497 W507 R508 F510 L535 V550	I486-L499 HydrophobicContact CG2-CB 4.03Å; I486-L499 HydrophobicContact CG2-CD2 4.01Å; I486-L499 HydrophobicContact CG2-CG 4.09Å; I487-L499 CarbonylContact O-C 3.59Å; I487-L499 VanDerWaalsContact O-CA 3.32Å; I487-L499 WeakPolarHBondContact O-CA 3.4Å; A488-L499 HydrophobicContact CB-CD1 4.15Å; A488-L499 HydrophobicContact CB-CG 4.12Å; V497-L499 HydrophobicContact CG1-CD1 4.01Å; L499-W507 HydrophobicContact CB-CB 4.47Å; L499-W507 HydrophobicContact CB-CE3 4Å; L499-W507 HydrophobicContact CD2-CE3 3.87Å; L499-W507 HydrophobicContact CD2-CZ3 3.92Å; L499-W507 WeakPolarHBondContact O-CA 3.33Å; L499-W507 WeakPolarHBondContact O-CB 3.32Å; L499-W507 PolarHBondContact O-N 3.47Å; L499-R508 HydrophobicContact CB-CB 4.46Å; L499-R508 PolarHBondContact N-O 2.87Å; L499-R508 PolarHBondContact O-N 3.43Å; L499-F510 HydrophobicContact CD1-CD2 3.78Å; L499-F510 HydrophobicContact CD1-CE2 3.36Å; L499-F510 HydrophobicContact CD1-CZ 4.34Å; L499-F510 HydrophobicContact CD2-CE2 3.79Å; L499-F510 HydrophobicContact CD2-CZ 4.19Å; L499-F510 HydrophobicContact CG-CE2 4.24Å; L499-L535 HydrophobicContact CD1-CD2 4.13Å; L499-V550 HydrophobicContact CD2-CG1 4.24Å; L499-V550 HydrophobicContact CD2-CG2 4.42Å
500	F	98.2	Very high	93.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.9	-177.1	-59.5	-96.3	0	0	0	110.4	F463 F473 I486 I487 I489 Q498 L505 F506	F463-F500 HydrophobicContact CD2-CD1 4Å; F463-F500 HydrophobicContact CD2-CE1 4.12Å; F463-F500 HydrophobicContact CD2-CG 4.33Å; F463-F500 HydrophobicContact CE2-CB 4.24Å; F463-F500 AromaticContact CE2-CD1 3.83Å; F463-F500 HydrophobicContact CE2-CD1 3.83Å; F463-F500 AromaticContact CE2-CD2 3.82Å; F463-F500 HydrophobicContact CE2-CD2 3.82Å; F463-F500 HydrophobicContact CE2-CE1 4.15Å; F463-F500 HydrophobicContact CE2-CE2 4.13Å; F463-F500 AromaticContact CE2-CG 3.68Å; F463-F500 HydrophobicContact CE2-CG 3.68Å; F463-F500 HydrophobicContact CE2-CZ 4.3Å; F463-F500 HydrophobicContact CZ-CB 4.44Å; F463-F500 HydrophobicContact CZ-CG 4.34Å; F473-F500 AromaticContact CE1-CE2 3.86Å; F473-F500 HydrophobicContact CE1-CE2 3.86Å; F473-F500 AromaticContact CE1-CZ 3.93Å; F473-F500 HydrophobicContact CE1-CZ 3.93Å; F473-F500 HydrophobicContact CE2-CZ 4.38Å; F473-F500 HydrophobicContact CZ-CE1 4.43Å; F473-F500 AromaticContact CZ-CE2 3.5Å; F473-F500 HydrophobicContact CZ-CE2 3.5Å; F473-F500 VanDerWaalsContact CZ-CE2 3.5Å; F473-F500 AromaticContact CZ-CZ 3.44Å; F473-F500 HydrophobicContact CZ-CZ 3.44Å; F473-F500 VanDerWaalsContact CZ-CZ 3.44Å; I486-F500 CarbonylContact C-O 3.56Å; I486-F500 WeakPolarHBondContact CA-O 3.49Å; I487-F500 HydrophobicContact CB-CB 4.39Å; I487-F500 PolarHBondContact N-O 2.81Å; I487-F500 PolarHBondContact O-N 2.85Å; I489-F500 HydrophobicContact CB-CE2 4.43Å; I489-F500 HydrophobicContact CG1-CD2 4.07Å; I489-F500 HydrophobicContact CG1-CE2 4.07Å; Q498-F500 HydrophobicContact CB-CD2 4.45Å; Q498-F500 HydrophobicContact CB-CE2 3.47Å; Q498-F500 VanDerWaalsContact CB-CE2 3.47Å; Q498-F500 HydrophobicContact CB-CZ 3.85Å; F500-L505 CarbonylContact C-O 3.6Å; F500-L505 WeakPolarHBondContact CA-O 3.47Å; F500-L505 WeakPolarHBondContact CB-O 3.34Å; F500-F506 HydrophobicContact CD1-CB 4.26Å; F500-F506 HydrophobicContact CE1-CB 4.12Å; F500-F506 HydrophobicContact CE1-CD2 4.26Å; F500-F506 HydrophobicContact CZ-CD2 4.46Å
501	T	96.5	Very high	92.8	Very high	39 Å²	39	42.2 Å²	42.2	24%	0.239	21%	0.205	C	C	.	.			trans	-70.9	169.7	170.3	68	0	0	0	0	111	D485 T503 G504 L505	D485-T501 CarbonylContact O-C 3.49Å; T501-T503 PolarHBondContact O-N 3.13Å; T501-T503 PolarHBondContact OG1-N 3.5Å; T501-T503 PolarHBondContact OG1-OG1 3.15Å; T501-G504 PolarHBondContact O-N 3.34Å; T501-L505 HydrophobicContact CG2-CB 4.2Å; T501-L505 PolarHBondContact N-O 2.92Å; T501-L505 WeakPolarHBondContact OG1-CB 3.42Å; T501-L505 PolarHBondContact OG1-N 3Å; T501-L505 VanDerWaalsContact OG1-N 3.16Å
502	A	91.5	Very high	91.3	Very high	44 Å²	44	47 Å²	47	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.4	173.7	0	0	0	0	0	114.5	F461 D485	F461-A502 WeakPolarHBondContact CZ-O 3.12Å; D485-A502 HydrophobicContact CB-CB 3.59Å; D485-A502 WeakPolarHBondContact O-CA 3.43Å; D485-A502 PolarHBondContact O-N 3.48Å
503	T	93.1	Very high	89.4	Confident	94 Å²	94	51.4 Å²	51.4	58%	0.577	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.3	179.8	54.4	0	0	0	0	113.6	T501	T501-T503 PolarHBondContact O-N 3.13Å; T501-T503 PolarHBondContact OG1-N 3.5Å; T501-T503 PolarHBondContact OG1-OG1 3.15Å
504	G	92.2	Very high	87.2	Confident	10 Å²	10	51.7 Å²	51.7	10%	0.103	26%	0.264	C	S	.	.	S	Bend	trans	82.7	15.5	179.5	0	0	0	0	0	114.9	T501	T501-G504 PolarHBondContact O-N 3.34Å
505	L	94.3	Very high	85.1	Confident	116 Å²	116	52.9 Å²	52.9	61%	0.607	27%	0.272	S	S	*	.			trans	-81.3	138.4	173.5	-60.4	175.6	0	0	0	110.1	F500 T501 W507	F500-L505 CarbonylContact C-O 3.6Å; F500-L505 WeakPolarHBondContact CA-O 3.47Å; F500-L505 WeakPolarHBondContact CB-O 3.34Å; T501-L505 HydrophobicContact CG2-CB 4.2Å; T501-L505 PolarHBondContact N-O 2.92Å; T501-L505 WeakPolarHBondContact OG1-CB 3.42Å; T501-L505 PolarHBondContact OG1-N 3Å; T501-L505 VanDerWaalsContact OG1-N 3.16Å; L505-W507 PolarHBondContact O-N 3.14Å
506	F	94.7	Very high	82.9	Confident	68 Å²	68	55 Å²	55	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.1	178.1	174	-101.3	0	0	0	111.9	I470 S471 F500 R508 K509	I470-F506 HydrophobicContact CD1-CE1 4.19Å; I470-F506 HydrophobicContact CD1-CZ 4.27Å; I470-F506 HydrophobicContact CG1-CZ 4.28Å; I470-F506 HydrophobicContact CG2-CB 3.93Å; I470-F506 HydrophobicContact CG2-CD1 3.49Å; I470-F506 VanDerWaalsContact CG2-CD1 3.49Å; I470-F506 HydrophobicContact CG2-CD2 3.48Å; I470-F506 VanDerWaalsContact CG2-CD2 3.48Å; I470-F506 HydrophobicContact CG2-CE1 3.74Å; I470-F506 HydrophobicContact CG2-CE2 3.71Å; I470-F506 HydrophobicContact CG2-CG 3.33Å; I470-F506 HydrophobicContact CG2-CZ 3.83Å; S471-F506 WeakPolarHBondContact OG-CB 3.45Å; F500-F506 HydrophobicContact CD1-CB 4.26Å; F500-F506 HydrophobicContact CE1-CB 4.12Å; F500-F506 HydrophobicContact CE1-CD2 4.26Å; F500-F506 HydrophobicContact CZ-CD2 4.46Å; F506-R508 WeakPolarHBondContact CE2-O 3.11Å; F506-K509 HydrophobicContact CE2-CB 4.03Å; F506-K509 HydrophobicContact CZ-CB 4.14Å; F506-K509 HydrophobicContact CZ-CG 4.27Å
507	W	92.1	Very high	80.8	Confident	108 Å²	108	61.5 Å²	61.5	41%	0.409	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-55.7	176.3	-171	39.8	0	0	0	112.2	I486 L499 L505 V550	I486-W507 HydrophobicContact CB-CE3 4.28Å; I486-W507 HydrophobicContact CB-CZ3 4.11Å; I486-W507 HydrophobicContact CD1-CD2 4.06Å; I486-W507 HydrophobicContact CD1-CE3 3.69Å; I486-W507 HydrophobicContact CD1-CH2 4.26Å; I486-W507 HydrophobicContact CD1-CZ3 3.81Å; I486-W507 HydrophobicContact CG1-CE3 3.9Å; I486-W507 HydrophobicContact CG1-CH2 4.11Å; I486-W507 HydrophobicContact CG1-CZ3 3.57Å; I486-W507 HydrophobicContact CG2-CE3 3.43Å; I486-W507 VanDerWaalsContact CG2-CE3 3.43Å; I486-W507 HydrophobicContact CG2-CZ3 3.56Å; L499-W507 HydrophobicContact CB-CB 4.47Å; L499-W507 HydrophobicContact CB-CE3 4Å; L499-W507 HydrophobicContact CD2-CE3 3.87Å; L499-W507 HydrophobicContact CD2-CZ3 3.92Å; L499-W507 WeakPolarHBondContact O-CA 3.33Å; L499-W507 WeakPolarHBondContact O-CB 3.32Å; L499-W507 PolarHBondContact O-N 3.47Å; L505-W507 PolarHBondContact O-N 3.14Å; W507-V550 HydrophobicContact CH2-CG1 3.93Å; W507-V550 HydrophobicContact CZ3-CG1 3.89Å
508	R	90.4	Very high	78.7	Confident	103 Å²	103	66.6 Å²	66.6	39%	0.389	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.7	-176.5	-105.9	176	-177.2	-177.5	0.1	112.2	Q498 L499 F506 F510 V550	Q498-R508 CarbonylContact C-O 3.48Å; L499-R508 HydrophobicContact CB-CB 4.46Å; L499-R508 PolarHBondContact N-O 2.87Å; L499-R508 PolarHBondContact O-N 3.43Å; F506-R508 WeakPolarHBondContact CE2-O 3.11Å; R508-F510 HydrophobicContact CB-CZ 4.34Å; R508-V550 PolarHBondContact NH1-O 2.85Å
509	K	89.2	Confident	76.6	Confident	56 Å²	56	70.2 Å²	70.2	24%	0.243	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.3	170.9	68	172.6	-172.2	167.4	0	111.3	V497 Q498 F506 E513	V497-K509 CarbonylContact O-C 3.52Å; V497-K509 VanDerWaalsContact O-CA 3.32Å; V497-K509 WeakPolarHBondContact O-CA 3.5Å; Q498-K509 HydrophobicContact CG-CB 4.02Å; F506-K509 HydrophobicContact CE2-CB 4.03Å; F506-K509 HydrophobicContact CZ-CB 4.14Å; F506-K509 HydrophobicContact CZ-CG 4.27Å; K509-E513 VanDerWaalsContact CE-OE2 3.28Å; K509-E513 WeakPolarHBondContact CE-OE2 3.37Å; K509-E513 IonicContact NZ-OE1 2.85Å; K509-E513 PolarHBondContact NZ-OE1 3.23Å; K509-E513 IonicContact NZ-OE2 3.09Å; K509-E513 PolarHBondContact NZ-OE2 3.22Å
510	F	85.2	Confident	75.5	Confident	21 Å²	21	76.2 Å²	76.2	9%	0.092	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139	173.8	-48.3	-59.3	0	0	0	110.2	R496 V497 L499 R508 F521 Y548	R496-F510 CarbonylContact C-O 3.55Å; R496-F510 WeakPolarHBondContact CA-O 3.43Å; R496-F510 WeakPolarHBondContact CB-O 3.29Å; V497-F510 PolarHBondContact N-O 2.73Å; V497-F510 PolarHBondContact O-N 2.71Å; L499-F510 HydrophobicContact CD1-CD2 3.78Å; L499-F510 HydrophobicContact CD1-CE2 3.36Å; L499-F510 HydrophobicContact CD1-CZ 4.34Å; L499-F510 HydrophobicContact CD2-CE2 3.79Å; L499-F510 HydrophobicContact CD2-CZ 4.19Å; L499-F510 HydrophobicContact CG-CE2 4.24Å; R508-F510 HydrophobicContact CB-CZ 4.34Å; F510-F521 HydrophobicContact CB-CE2 4.4Å; F510-Y548 HydrophobicContact CD1-CD1 4.42Å; F510-Y548 AromaticContact CD1-CE1 3.7Å; F510-Y548 HydrophobicContact CD1-CE1 3.7Å; F510-Y548 AromaticContact CD1-CE2 3.9Å; F510-Y548 HydrophobicContact CD1-CE2 3.9Å; F510-Y548 AromaticContact CD1-CZ 3.39Å; F510-Y548 WeakPolarHBondContact CD1-OH 3.44Å; F510-Y548 HydrophobicContact CD2-CD1 4.15Å; F510-Y548 HydrophobicContact CD2-CE1 4.18Å; F510-Y548 HydrophobicContact CD2-CG 4.46Å; F510-Y548 HydrophobicContact CE1-CD1 4.05Å; F510-Y548 AromaticContact CE1-CE1 3.14Å; F510-Y548 HydrophobicContact CE1-CE1 3.14Å; F510-Y548 HydrophobicContact CE1-CE2 4.17Å; F510-Y548 AromaticContact CE1-CZ 3.21Å; F510-Y548 WeakPolarHBondContact CE1-OH 3.45Å; F510-Y548 AromaticContact CE2-CD1 3.68Å; F510-Y548 HydrophobicContact CE2-CD1 3.68Å; F510-Y548 AromaticContact CE2-CE1 3.63Å; F510-Y548 HydrophobicContact CE2-CE1 3.63Å; F510-Y548 HydrophobicContact CE2-CG 4.42Å; F510-Y548 HydrophobicContact CG-CD1 4.49Å; F510-Y548 HydrophobicContact CG-CE1 4.21Å; F510-Y548 HydrophobicContact CG-CE2 4.28Å; F510-Y548 AromaticContact CZ-CD1 3.66Å; F510-Y548 HydrophobicContact CZ-CD1 3.66Å; F510-Y548 AromaticContact CZ-CE1 3.1Å; F510-Y548 HydrophobicContact CZ-CE1 3.1Å; F510-Y548 AromaticContact CZ-CZ 3.73Å
511	G	76.8	Confident	75	Confident	7 Å²	7	77 Å²	77	7%	0.072	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.3	-172.5	-176.1	0	0	0	0	0	114	E513 K519	G511-E513 PolarHBondContact O-N 3.27Å; G511-K519 VanDerWaalsContact CA-O 3.28Å; G511-K519 WeakPolarHBondContact CA-O 3.26Å
512	F	64.9	Low	74.8	Confident	100 Å²	100	77.6 Å²	77.6	44%	0.439	39%	0.393	S	S	.	.			trans	65.6	-42.7	177.4	-170.7	-99	0	0	0	117.8	N494 H495 R496 K519	N494-F512 WeakPolarHBondContact O-CD2 3.2Å; H495-F512 PolarHBondContact O-N 3.39Å; R496-F512 HydrophobicContact CB-CB 4.26Å; F512-K519 PolarHBondContact N-O 2.8Å
513	E	55.7	Low	74.9	Confident	96 Å²	96	75.7 Å²	75.7	45%	0.449	38%	0.377	S	S	.	.	S	Bend	trans	-67	146.5	-179.9	-109.1	89.1	-117.4	0	0	111.3	K509 G511 S515	K509-E513 VanDerWaalsContact CE-OE2 3.28Å; K509-E513 WeakPolarHBondContact CE-OE2 3.37Å; K509-E513 IonicContact NZ-OE1 2.85Å; K509-E513 PolarHBondContact NZ-OE1 3.23Å; K509-E513 IonicContact NZ-OE2 3.09Å; K509-E513 PolarHBondContact NZ-OE2 3.22Å; G511-E513 PolarHBondContact O-N 3.27Å; E513-S515 PolarHBondContact O-N 2.88Å
514	T	49.2	Very low	75.1	Confident	150 Å²	150	71.2 Å²	71.2	92%	0.92	35%	0.349	S	S	*	.	S	Bend	trans	-59.3	48.7	-175.7	50	0	0	0	0	115.2
515	S	49.2	Very low	75.4	Confident	27 Å²	27	72.4 Å²	72.4	19%	0.189	35%	0.351	C	S	.	.			trans	-111.3	143.2	-168.1	175.4	0	0	0	0	111	E513 L517 K519	E513-S515 PolarHBondContact O-N 2.88Å; S515-L517 PolarHBondContact O-N 3.02Å; S515-K519 VanDerWaalsContact OG-CD 3.27Å; S515-K519 WeakPolarHBondContact OG-CD 3.38Å; S515-K519 VanDerWaalsContact OG-CE 3.29Å; S515-K519 WeakPolarHBondContact OG-CE 3.43Å; S515-K519 WeakPolarHBondContact OG-CG 3.47Å
516	V	47.7	Very low	75.5	Confident	112 Å²	112	66.9 Å²	66.9	68%	0.679	32%	0.322	S	S	*	.	S	Bend	trans	-49.9	113.8	-174.6	-153.8	0	0	0	0	112	Y518	V516-Y518 VanDerWaalsContact O-CD1 3.31Å; V516-Y518 WeakPolarHBondContact O-CD1 3.31Å; V516-Y518 PolarHBondContact O-N 3.28Å
517	L	48.6	Very low	75.7	Confident	138 Å²	138	64 Å²	64	72%	0.723	31%	0.309	S	S	*	.	S	Bend	trans	58.4	-50.3	161.3	-80	148.7	0	0	0	120.6	S515	S515-L517 PolarHBondContact O-N 3.02Å
518	Y	51.7	Low	76	Confident	109 Å²	109	59.3 Å²	59.3	43%	0.427	29%	0.293	S	S	.	.	S	Bend	trans	-93.6	-13	-176.4	62.9	-92.1	0	0	0	113.6	V516 A555	V516-Y518 VanDerWaalsContact O-CD1 3.31Å; V516-Y518 WeakPolarHBondContact O-CD1 3.31Å; V516-Y518 PolarHBondContact O-N 3.28Å; Y518-A555 HydrophobicContact CD2-CB 4.07Å
519	K	52	Low	76.3	Confident	76 Å²	76	55.8 Å²	55.8	33%	0.33	28%	0.281	S	S	.	.	S	Bend	trans	-90.3	1.9	174	-58.8	-154.3	-161.8	168	0	114	G511 F512 S515 F521	G511-K519 VanDerWaalsContact CA-O 3.28Å; G511-K519 WeakPolarHBondContact CA-O 3.26Å; F512-K519 PolarHBondContact N-O 2.8Å; S515-K519 VanDerWaalsContact OG-CD 3.27Å; S515-K519 WeakPolarHBondContact OG-CD 3.38Å; S515-K519 VanDerWaalsContact OG-CE 3.29Å; S515-K519 WeakPolarHBondContact OG-CE 3.43Å; S515-K519 WeakPolarHBondContact OG-CG 3.47Å; K519-F521 PolarHBondContact O-N 2.74Å
520	Q	73	Confident	76.4	Confident	127 Å²	127	53.5 Å²	53.5	59%	0.593	27%	0.273	S	S	*	.			trans	-95.7	74.9	171.1	-70.1	-174.5	-6.8	0	0	109.2	D522 N542 R544	Q520-D522 PolarHBondContact O-N 3.46Å; Q520-N542 PolarHBondContact O-ND2 3.02Å; Q520-N542 VanDerWaalsContact O-ND2 3.17Å; Q520-R544 PolarHBondContact O-NH2 3.11Å
521	F	87.2	Confident	76.3	Confident	17 Å²	17	56.6 Å²	56.6	8%	0.075	30%	0.295	C	S	.	.			trans	-55.5	139	157.4	-81.7	-68.5	0	0	0	108.3	H495 V497 F510 K519 P524 C537 D539 V546	H495-F521 VanDerWaalsContact CB-O 3.32Å; H495-F521 WeakPolarHBondContact CB-O 3.34Å; V497-F521 HydrophobicContact CG2-CE2 4Å; V497-F521 HydrophobicContact CG2-CZ 4.03Å; F510-F521 HydrophobicContact CB-CE2 4.4Å; K519-F521 PolarHBondContact O-N 2.74Å; F521-P524 HydrophobicContact CB-CB 4.36Å; F521-P524 HydrophobicContact CB-CG 4.04Å; F521-P524 HydrophobicContact CD1-CB 3.76Å; F521-P524 HydrophobicContact CD1-CG 4.31Å; F521-P524 HydrophobicContact CE1-CB 4.24Å; F521-P524 HydrophobicContact CG-CB 4.15Å; F521-P524 HydrophobicContact CG-CG 4.19Å; F521-C537 HydrophobicContact CE1-CB 3.97Å; F521-C537 VanDerWaalsContact CE1-SG 3.59Å; F521-C537 HydrophobicContact CZ-CB 4.11Å; F521-D539 HydrophobicContact CD1-CB 4.18Å; F521-V546 HydrophobicContact CD1-CG2 4.43Å; F521-V546 HydrophobicContact CE1-CB 3.86Å; F521-V546 HydrophobicContact CE1-CG1 4.34Å; F521-V546 HydrophobicContact CE1-CG2 3.82Å; F521-V546 HydrophobicContact CZ-CB 4.09Å; F521-V546 HydrophobicContact CZ-CG1 4.1Å; F521-V546 HydrophobicContact CZ-CG2 4.4Å
522	D	92.2	Very high	76.6	Confident	51 Å²	51	60 Å²	60	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-119.6	103.4	164.9	-173.8	-1	0	0	0	109.9	H495 Q520 D539 N541 N542	H495-D522 IonicContact CE1-OD1 2.8Å; H495-D522 PolarHBondContact CE1-OD1 3.16Å; H495-D522 VanDerWaalsContact CE1-OD1 3.23Å; H495-D522 IonicContact ND1-OD1 3.4Å; H495-D522 PolarHBondContact ND1-OD1 3.23Å; Q520-D522 PolarHBondContact O-N 3.46Å; D522-D539 PolarHBondContact N-OD1 3.05Å; D522-N541 HydrophobicContact CB-CB 3.82Å; D522-N541 VanDerWaalsContact CG-ND2 3.28Å; D522-N541 WeakPolarHBondContact O-CB 3.36Å; D522-N541 PolarHBondContact O-N 2.88Å; D522-N541 VanDerWaalsContact O-N 3.14Å; D522-N541 PolarHBondContact OD1-ND2 3.28Å; D522-N541 WeakPolarHBondContact OD2-CB 3.31Å; D522-N541 PolarHBondContact OD2-ND2 2.92Å; D522-N542 PolarHBondContact N-ND2 3.01Å
523	S	94.4	Very high	77.7	Confident	4 Å²	4	57 Å²	57	3%	0.028	31%	0.309	C	S	.	.	S	Bend	trans	58.5	57.5	179	-55.9	0	0	0	0	112.4	T492 H495 F540 N541	T492-S523 WeakPolarHBondContact O-CA 3.49Å; H495-S523 PolarHBondContact ND1-N 2.94Å; S523-F540 VanDerWaalsContact O-CB 3.22Å; S523-F540 WeakPolarHBondContact O-CB 3.29Å; S523-N541 PolarHBondContact OG-ND2 2.8Å
524	P	96.3	Very high	79.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	145.2	179.3	25.7	-31.8	0	0	0	110.5	T492 R496 V497 F521 T538	T492-P524 PolarHBondContact OG1-O 3.08Å; R496-P524 WeakPolarHBondContact O-CG 3.46Å; V497-P524 HydrophobicContact CG2-CB 4.29Å; V497-P524 HydrophobicContact CG2-CG 4.45Å; F521-P524 HydrophobicContact CB-CB 4.36Å; F521-P524 HydrophobicContact CB-CG 4.04Å; F521-P524 HydrophobicContact CD1-CB 3.76Å; F521-P524 HydrophobicContact CD1-CG 4.31Å; F521-P524 HydrophobicContact CE1-CB 4.24Å; F521-P524 HydrophobicContact CG-CB 4.15Å; F521-P524 HydrophobicContact CG-CG 4.19Å; P524-T538 WeakPolarHBondContact CA-O 3.44Å
525	R	97.6	Very high	81.6	Confident	34 Å²	34	48.8 Å²	48.8	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-97	-177.3	-67.7	-176.1	-174.5	-122.9	-5.4	111.7	W477 D478 S490 T538 F540 Q572	W477-R525 HydrophobicContact CG-CG 4.21Å; D478-R525 WeakPolarHBondContact CB-O 3.29Å; S490-R525 WeakPolarHBondContact CB-O 3.44Å; S490-R525 PolarHBondContact OG-O 2.87Å; R525-T538 PolarHBondContact N-O 3.43Å; R525-F540 HydrophobicContact CG-CB 3.9Å; R525-F540 HydrophobicContact CG-CD2 4.46Å; R525-F540 HydrophobicContact CG-CG 4.32Å; R525-F540 VanDerWaalsContact CZ-CE2 3.49Å; R525-F540 VanDerWaalsContact NH2-CE1 3.34Å; R525-Q572 VanDerWaalsContact NH1-OE1 3.08Å
526	G	98.4	Very high	83.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	140.9	-172.4	0	0	0	0	0	111.8	D478 C537 T538 Q572 I574	D478-G526 WeakPolarHBondContact OD2-CA 3.29Å; G526-C537 VanDerWaalsContact O-CA 3.26Å; G526-C537 WeakPolarHBondContact O-CA 3.19Å; G526-T538 PolarHBondContact N-OG1 2.83Å; G526-T538 PolarHBondContact O-N 2.86Å; G526-Q572 WeakPolarHBondContact CA-O 3.47Å; G526-Q572 PolarHBondContact N-O 3.38Å; G526-Q572 VanDerWaalsContact N-O 3.16Å; G526-I574 VanDerWaalsContact C-CG2 3.5Å
527	L	98.5	Very high	86.3	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.6	173.4	-67.5	175.2	0	0	0	110.5	D478 A480 A488 V497 L535 Y536 C537	D478-L527 PolarHBondContact OD2-N 3.07Å; A480-L527 HydrophobicContact CB-CB 3.68Å; A488-L527 HydrophobicContact CB-CD1 4.1Å; A488-L527 WeakPolarHBondContact O-CD1 3.42Å; V497-L527 HydrophobicContact CG1-CD1 4.14Å; V497-L527 HydrophobicContact CG1-CD2 4.1Å; V497-L527 HydrophobicContact CG2-CD2 4.15Å; L527-L535 HydrophobicContact CB-CD1 4.42Å; L527-L535 HydrophobicContact CD2-CD1 4.16Å; L527-L535 HydrophobicContact CD2-CD2 4.45Å; L527-L535 HydrophobicContact CD2-CG 4.37Å; L527-Y536 VanDerWaalsContact CA-O 3.31Å; L527-Y536 WeakPolarHBondContact CA-O 3.43Å; L527-C537 HydrophobicContact CD2-CB 3.57Å; L527-C537 WeakPolarHBondContact CD2-SG 3.36Å
528	S	98.4	Very high	88.6	Confident	10 Å²	10	35.8 Å²	35.8	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	146.8	165	-178.4	0	0	0	0	110.7	Y536 I574 D575 V576	S528-Y536 PolarHBondContact N-O 2.76Å; S528-Y536 PolarHBondContact O-N 3.43Å; S528-I574 VanDerWaalsContact CB-O 3.27Å; S528-I574 WeakPolarHBondContact CB-O 3.47Å; S528-D575 PolarHBondContact OG-OD1 3.18Å; S528-V576 PolarHBondContact OG-N 2.94Å
529	F	96.3	Very high	90.7	Very high	29 Å²	29	30.6 Å²	30.6	13%	0.127	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.8	173	-79	-80.2	0	0	0	109.5	A480 I486 A488 R534 L535 V550	A480-F529 HydrophobicContact CB-CD2 3.8Å; A480-F529 HydrophobicContact CB-CE2 4.12Å; I486-F529 HydrophobicContact CG2-CZ 4.45Å; A488-F529 HydrophobicContact CB-CE2 3.75Å; A488-F529 HydrophobicContact CB-CZ 3.89Å; F529-R534 CarbonylContact C-O 3.57Å; F529-R534 WeakPolarHBondContact CA-O 3.46Å; F529-L535 HydrophobicContact CD1-CB 4.06Å; F529-L535 HydrophobicContact CD1-CD1 4.09Å; F529-L535 HydrophobicContact CD2-CD1 4.07Å; F529-L535 HydrophobicContact CE1-CB 3.78Å; F529-L535 HydrophobicContact CE1-CD1 3.93Å; F529-L535 HydrophobicContact CE1-CG 4.3Å; F529-L535 HydrophobicContact CE2-CD1 3.91Å; F529-L535 HydrophobicContact CG-CD1 4.17Å; F529-L535 HydrophobicContact CZ-CB 4.4Å; F529-L535 HydrophobicContact CZ-CD1 3.85Å; F529-L535 HydrophobicContact CZ-CD2 4.41Å; F529-L535 HydrophobicContact CZ-CG 4.45Å; F529-V550 HydrophobicContact CE1-CG2 4.36Å
530	G	91.1	Very high	92.8	Very high	9 Å²	9	28.1 Å²	28.1	9%	0.093	15%	0.152	C	C	.	.			trans	-77.7	165.9	171.8	0	0	0	0	0	112.7	D532 G533 R534	G530-D532 PolarHBondContact O-N 3.45Å; G530-G533 PolarHBondContact O-N 2.9Å; G530-R534 PolarHBondContact N-O 2.92Å
531	P	83.9	Confident	93.9	Very high	85 Å²	85	24.3 Å²	24.3	55%	0.552	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.9	176.1	27.2	-34.9	0	0	0	113.1
532	D	82.9	Confident	94.2	Very high	79 Å²	79	26.3 Å²	26.3	42%	0.422	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.9	173.2	64.6	-10.5	0	0	0	113.4	G530 R534	G530-D532 PolarHBondContact O-N 3.45Å; D532-R534 PolarHBondContact O-N 3.13Å; D532-R534 WeakPolarHBondContact OD1-CB 3.32Å; D532-R534 PolarHBondContact OD1-N 2.91Å; D532-R534 VanDerWaalsContact OD1-N 3.15Å; D532-R534 WeakPolarHBondContact OD2-CD 3.5Å; D532-R534 WeakPolarHBondContact OD2-CG 3.45Å; D532-R534 IonicContact OD2-CZ 2.73Å; D532-R534 IonicContact OD2-NE 2.64Å; D532-R534 IonicContact OD2-NH1 3.08Å; D532-R534 PolarHBondContact OD2-NH1 3.14Å
533	G	87.7	Confident	94.4	Very high	37 Å²	37	24.6 Å²	24.6	38%	0.381	14%	0.137	S	C	.	.	S	Bend	trans	78.2	1.5	-178.8	0	0	0	0	0	114.5	G530	G530-G533 PolarHBondContact O-N 2.9Å
534	R	92.3	Very high	94.4	Very high	71 Å²	71	26.3 Å²	26.3	27%	0.268	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-74.3	145.5	175.9	-64.4	-174.3	179.7	150.9	-7.5	111	F529 G530 D532 Y536 I547 Y548 D549	F529-R534 CarbonylContact C-O 3.57Å; F529-R534 WeakPolarHBondContact CA-O 3.46Å; G530-R534 PolarHBondContact N-O 2.92Å; D532-R534 PolarHBondContact O-N 3.13Å; D532-R534 WeakPolarHBondContact OD1-CB 3.32Å; D532-R534 PolarHBondContact OD1-N 2.91Å; D532-R534 VanDerWaalsContact OD1-N 3.15Å; D532-R534 WeakPolarHBondContact OD2-CD 3.5Å; D532-R534 WeakPolarHBondContact OD2-CG 3.45Å; D532-R534 IonicContact OD2-CZ 2.73Å; D532-R534 IonicContact OD2-NE 2.64Å; D532-R534 IonicContact OD2-NH1 3.08Å; D532-R534 PolarHBondContact OD2-NH1 3.14Å; R534-Y536 HydrophobicContact CB-CE2 3.84Å; R534-Y536 WeakPolarHBondContact O-CD2 3.32Å; R534-Y536 WeakPolarHBondContact O-CE2 3.3Å; R534-I547 HydrophobicContact CB-CG2 4.12Å; R534-Y548 WeakPolarHBondContact CA-O 3.44Å; R534-D549 HydrophobicContact CG-CB 4.42Å; R534-D549 IonicContact NE-OD2 3.17Å; R534-D549 PolarHBondContact NE-OD2 3.48Å; R534-D549 IonicContact NH2-OD2 3.78Å
535	L	95.1	Very high	94.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.5	176.8	179.6	62.3	0	0	0	109.9	A480 A488 V497 L499 L527 F529 Y548 V550	A480-L535 HydrophobicContact CB-CD1 4.43Å; A488-L535 HydrophobicContact CB-CD1 3.95Å; A488-L535 HydrophobicContact CB-CD2 3.81Å; V497-L535 HydrophobicContact CG1-CD2 4.05Å; L499-L535 HydrophobicContact CD1-CD2 4.13Å; L527-L535 HydrophobicContact CB-CD1 4.42Å; L527-L535 HydrophobicContact CD2-CD1 4.16Å; L527-L535 HydrophobicContact CD2-CD2 4.45Å; L527-L535 HydrophobicContact CD2-CG 4.37Å; F529-L535 HydrophobicContact CD1-CB 4.06Å; F529-L535 HydrophobicContact CD1-CD1 4.09Å; F529-L535 HydrophobicContact CD2-CD1 4.07Å; F529-L535 HydrophobicContact CE1-CB 3.78Å; F529-L535 HydrophobicContact CE1-CD1 3.93Å; F529-L535 HydrophobicContact CE1-CG 4.3Å; F529-L535 HydrophobicContact CE2-CD1 3.91Å; F529-L535 HydrophobicContact CG-CD1 4.17Å; F529-L535 HydrophobicContact CZ-CB 4.4Å; F529-L535 HydrophobicContact CZ-CD1 3.85Å; F529-L535 HydrophobicContact CZ-CD2 4.41Å; F529-L535 HydrophobicContact CZ-CG 4.45Å; L535-Y548 PolarHBondContact N-O 2.88Å; L535-Y548 PolarHBondContact O-N 2.6Å; L535-V550 HydrophobicContact CB-CG2 4.37Å
536	Y	96.9	Very high	94.2	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.6	177.8	-60.5	-105.1	0	0	0	108.3	L527 S528 R534 I547 V576 I582 F599	L527-Y536 VanDerWaalsContact CA-O 3.31Å; L527-Y536 WeakPolarHBondContact CA-O 3.43Å; S528-Y536 PolarHBondContact N-O 2.76Å; S528-Y536 PolarHBondContact O-N 3.43Å; R534-Y536 HydrophobicContact CB-CE2 3.84Å; R534-Y536 WeakPolarHBondContact O-CD2 3.32Å; R534-Y536 WeakPolarHBondContact O-CE2 3.3Å; Y536-I547 HydrophobicContact CD1-CB 4.24Å; Y536-I547 HydrophobicContact CD1-CG1 3.49Å; Y536-I547 VanDerWaalsContact CD1-CG1 3.49Å; Y536-I547 HydrophobicContact CD1-CG2 3.86Å; Y536-I547 HydrophobicContact CE1-CB 4.3Å; Y536-I547 HydrophobicContact CE1-CG1 3.72Å; Y536-I547 HydrophobicContact CE1-CG2 3.59Å; Y536-I547 HydrophobicContact CE2-CG2 4.35Å; Y536-I547 HydrophobicContact CG-CG1 4.4Å; Y536-I547 HydrophobicContact CG-CG2 4.35Å; Y536-V576 HydrophobicContact CD1-CG2 4.37Å; Y536-V576 HydrophobicContact CD2-CG2 3.68Å; Y536-V576 HydrophobicContact CE2-CG2 4.01Å; Y536-V576 HydrophobicContact CG-CG2 3.9Å; Y536-I582 HydrophobicContact CD1-CD1 4.02Å; Y536-I582 HydrophobicContact CD1-CG1 4.44Å; Y536-I582 HydrophobicContact CD1-CG2 4.39Å; Y536-I582 HydrophobicContact CE1-CD1 3.5Å; Y536-I582 HydrophobicContact CE1-CG1 4.07Å; Y536-F599 HydrophobicContact CD1-CE1 4.4Å; Y536-F599 AromaticContact CE1-CE1 3.8Å; Y536-F599 HydrophobicContact CE1-CE1 3.8Å; Y536-F599 HydrophobicContact CE1-CZ 4.11Å
537	C	96.9	Very high	94	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130	-177.7	-175.3	0	0	0	0	111	F521 G526 L527 V545 V546	F521-C537 HydrophobicContact CE1-CB 3.97Å; F521-C537 VanDerWaalsContact CE1-SG 3.59Å; F521-C537 HydrophobicContact CZ-CB 4.11Å; G526-C537 VanDerWaalsContact O-CA 3.26Å; G526-C537 WeakPolarHBondContact O-CA 3.19Å; L527-C537 HydrophobicContact CD2-CB 3.57Å; L527-C537 WeakPolarHBondContact CD2-SG 3.36Å; C537-V545 CarbonylContact O-C 3.53Å; C537-V545 WeakPolarHBondContact O-CA 3.12Å; C537-V546 PolarHBondContact N-O 2.92Å; C537-V546 PolarHBondContact O-N 3.5Å
538	T	97.8	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.6	171.3	64.1	0	0	0	0	111	P524 R525 G526 F540 V545 P571 Q572 I574 I584	P524-T538 WeakPolarHBondContact CA-O 3.44Å; R525-T538 PolarHBondContact N-O 3.43Å; G526-T538 PolarHBondContact N-OG1 2.83Å; G526-T538 PolarHBondContact O-N 2.86Å; T538-F540 PolarHBondContact O-N 2.8Å; T538-V545 HydrophobicContact CG2-CG2 4.38Å; T538-P571 HydrophobicContact CG2-CB 4.11Å; T538-Q572 VanDerWaalsContact CB-O 3.28Å; T538-Q572 WeakPolarHBondContact CB-O 3.27Å; T538-Q572 WeakPolarHBondContact CG2-O 3.44Å; T538-Q572 PolarHBondContact OG1-O 3.22Å; T538-I574 HydrophobicContact CG2-CB 3.81Å; T538-I574 HydrophobicContact CG2-CD1 4.24Å; T538-I574 HydrophobicContact CG2-CG2 4Å; T538-I584 HydrophobicContact CG2-CG2 4.22Å
539	D	95.3	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	83.8	-179.6	-170.3	4.2	0	0	0	108.5	F521 D522 N541 N542 H543 R544 V546	F521-D539 HydrophobicContact CD1-CB 4.18Å; D522-D539 PolarHBondContact N-OD1 3.05Å; D539-N541 PolarHBondContact O-N 3.28Å; D539-N542 HydrophobicContact CB-CB 4.36Å; D539-N542 VanDerWaalsContact CG-ND2 3.35Å; D539-N542 CarbonylContact O-C 3.55Å; D539-N542 PolarHBondContact O-N 2.84Å; D539-N542 VanDerWaalsContact O-N 3.13Å; D539-N542 PolarHBondContact OD1-ND2 2.89Å; D539-N542 WeakPolarHBondContact OD2-CB 3.32Å; D539-N542 PolarHBondContact OD2-ND2 3.38Å; D539-H543 PolarHBondContact O-N 3.12Å; D539-R544 HydrophobicContact CB-CG 3.76Å; D539-R544 PolarHBondContact N-O 2.84Å; D539-R544 PolarHBondContact O-N 3.38Å; D539-R544 IonicContact OD2-CZ 2.85Å; D539-R544 IonicContact OD2-NE 3.74Å; D539-R544 PolarHBondContact OD2-NE 2.87Å; D539-R544 IonicContact OD2-NH2 3Å; D539-R544 PolarHBondContact OD2-NH2 2.75Å; D539-V546 HydrophobicContact CB-CG2 4.19Å
540	F	96.8	Very high	92.3	Very high	24 Å²	24	26 Å²	26	11%	0.105	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.9	-48.2	-160.8	173	-98.4	0	0	0	114.4	S523 R525 T538 R570 P571 Q572	S523-F540 VanDerWaalsContact O-CB 3.22Å; S523-F540 WeakPolarHBondContact O-CB 3.29Å; R525-F540 HydrophobicContact CG-CB 3.9Å; R525-F540 HydrophobicContact CG-CD2 4.46Å; R525-F540 HydrophobicContact CG-CG 4.32Å; R525-F540 VanDerWaalsContact CZ-CE2 3.49Å; R525-F540 VanDerWaalsContact NH2-CE1 3.34Å; T538-F540 PolarHBondContact O-N 2.8Å; F540-R570 HydrophobicContact CD2-CB 3.85Å; F540-R570 HydrophobicContact CE2-CB 3.48Å; F540-R570 VanDerWaalsContact CE2-CB 3.48Å; F540-R570 HydrophobicContact CE2-CG 4.17Å; F540-R570 HydrophobicContact CZ-CB 3.9Å; F540-R570 HydrophobicContact CZ-CG 4.07Å; F540-R570 WeakPolarHBondContact O-CD 3.26Å; F540-P571 WeakPolarHBondContact CD2-O 3.42Å; F540-Q572 HydrophobicContact CD2-CG 3.89Å; F540-Q572 HydrophobicContact CE2-CG 3.9Å
541	N	95.1	Very high	91.8	Very high	46 Å²	46	32 Å²	32	25%	0.246	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-81.4	-18.1	-177.8	-77.5	-22.1	0	0	0	112.7	D522 S523 D539 H543	D522-N541 HydrophobicContact CB-CB 3.82Å; D522-N541 VanDerWaalsContact CG-ND2 3.28Å; D522-N541 WeakPolarHBondContact O-CB 3.36Å; D522-N541 PolarHBondContact O-N 2.88Å; D522-N541 VanDerWaalsContact O-N 3.14Å; D522-N541 PolarHBondContact OD1-ND2 3.28Å; D522-N541 WeakPolarHBondContact OD2-CB 3.31Å; D522-N541 PolarHBondContact OD2-ND2 2.92Å; S523-N541 PolarHBondContact OG-ND2 2.8Å; D539-N541 PolarHBondContact O-N 3.28Å; N541-H543 PolarHBondContact O-CD2 3.05Å
542	N	93.7	Very high	91.5	Very high	60 Å²	60	33.7 Å²	33.7	32%	0.321	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-93.2	3.7	174.5	-69.8	-37.8	0	0	0	112.9	Q520 D522 D539 R544	Q520-N542 PolarHBondContact O-ND2 3.02Å; Q520-N542 VanDerWaalsContact O-ND2 3.17Å; D522-N542 PolarHBondContact N-ND2 3.01Å; D539-N542 HydrophobicContact CB-CB 4.36Å; D539-N542 VanDerWaalsContact CG-ND2 3.35Å; D539-N542 CarbonylContact O-C 3.55Å; D539-N542 PolarHBondContact O-N 2.84Å; D539-N542 VanDerWaalsContact O-N 3.13Å; D539-N542 PolarHBondContact OD1-ND2 2.89Å; D539-N542 WeakPolarHBondContact OD2-CB 3.32Å; D539-N542 PolarHBondContact OD2-ND2 3.38Å; N542-R544 VanDerWaalsContact C-N 3.28Å; N542-R544 HydrophobicContact CB-CG 3.9Å; N542-R544 PolarHBondContact ND2-NH2 3.33Å; N542-R544 PolarHBondContact O-N 3.17Å
543	H	96.6	Very high	91.3	Very high	14 Å²	14	34 Å²	34	7%	0.065	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	38.1	171.8	-60.9	-105.4	0	0	0	113.9	D539 N541 I560 E561 F568 R569 R570	D539-H543 PolarHBondContact O-N 3.12Å; N541-H543 PolarHBondContact O-CD2 3.05Å; H543-I560 CarbonylContact O-C 3.56Å; H543-E561 HydrophobicContact CB-CB 3.79Å; H543-E561 HydrophobicContact CB-CG 4.32Å; H543-E561 IonicContact CE1-OE1 3.94Å; H543-E561 PolarHBondContact CE1-OE1 3.01Å; H543-E561 IonicContact ND1-OE1 2.7Å; H543-E561 IonicContact NE2-OE1 3.95Å; H543-F568 PolarHBondContact ND1-O 3.27Å; H543-R569 WeakPolarHBondContact ND1-CA 3.2Å; H543-R570 PolarHBondContact CE1-NE 3.33Å; H543-R570 VanDerWaalsContact CE1-NE 3.32Å; H543-R570 PolarHBondContact ND1-N 2.98Å; H543-R570 PolarHBondContact NE2-NE 3.16Å; H543-R570 VanDerWaalsContact NE2-NE 3.18Å
544	R	95.6	Very high	91.2	Very high	40 Å²	40	39.3 Å²	39.3	15%	0.151	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	172	-172.4	67.7	-169	-174.9	176.3	-3.3	112.1	Q520 D539 N542 I557 V558 G559	Q520-R544 PolarHBondContact O-NH2 3.11Å; D539-R544 HydrophobicContact CB-CG 3.76Å; D539-R544 PolarHBondContact N-O 2.84Å; D539-R544 PolarHBondContact O-N 3.38Å; D539-R544 IonicContact OD2-CZ 2.85Å; D539-R544 IonicContact OD2-NE 3.74Å; D539-R544 PolarHBondContact OD2-NE 2.87Å; D539-R544 IonicContact OD2-NH2 3Å; D539-R544 PolarHBondContact OD2-NH2 2.75Å; N542-R544 VanDerWaalsContact C-N 3.28Å; N542-R544 HydrophobicContact CB-CG 3.9Å; N542-R544 PolarHBondContact ND2-NH2 3.33Å; N542-R544 PolarHBondContact O-N 3.17Å; R544-I557 HydrophobicContact CB-CG2 4.27Å; R544-I557 HydrophobicContact CG-CG2 4.23Å; R544-V558 WeakPolarHBondContact CA-O 3.44Å; R544-V558 WeakPolarHBondContact CB-O 2.97Å; R544-G559 WeakPolarHBondContact CB-O 3.45Å
545	V	96	Very high	91	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.3	172.5	-175.3	0	0	0	0	108.4	C537 T538 I547 I557 V558 F568 I574 I584	C537-V545 CarbonylContact O-C 3.53Å; C537-V545 WeakPolarHBondContact O-CA 3.12Å; T538-V545 HydrophobicContact CG2-CG2 4.38Å; V545-I547 HydrophobicContact CG1-CD1 4.34Å; V545-I547 HydrophobicContact CG1-CG1 4.43Å; V545-I557 WeakPolarHBondContact O-CA 3.49Å; V545-V558 PolarHBondContact N-O 3.08Å; V545-V558 PolarHBondContact O-N 2.96Å; V545-F568 HydrophobicContact CG2-CE2 4.09Å; V545-F568 HydrophobicContact CG2-CZ 4.24Å; V545-I574 HydrophobicContact CG1-CD1 3.66Å; V545-I574 HydrophobicContact CG2-CD1 4.49Å; V545-I584 HydrophobicContact CG2-CG1 4.19Å; V545-I584 HydrophobicContact CG2-CG2 4.25Å
546	V	94.1	Very high	90.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.6	172.9	-178.4	0	0	0	0	108.5	F521 C537 D539 A555 D556 I557	F521-V546 HydrophobicContact CD1-CG2 4.43Å; F521-V546 HydrophobicContact CE1-CB 3.86Å; F521-V546 HydrophobicContact CE1-CG1 4.34Å; F521-V546 HydrophobicContact CE1-CG2 3.82Å; F521-V546 HydrophobicContact CZ-CB 4.09Å; F521-V546 HydrophobicContact CZ-CG1 4.1Å; F521-V546 HydrophobicContact CZ-CG2 4.4Å; C537-V546 PolarHBondContact N-O 2.92Å; C537-V546 PolarHBondContact O-N 3.5Å; D539-V546 HydrophobicContact CB-CG2 4.19Å; V546-A555 HydrophobicContact CG1-CB 4.22Å; V546-D556 WeakPolarHBondContact CA-O 3.39Å; V546-I557 HydrophobicContact CG2-CG1 4.27Å
547	I	93.6	Very high	90.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.4	178	-53.2	95.8	0	0	0	108	R534 Y536 V545 A555 D556 V558 F599	R534-I547 HydrophobicContact CB-CG2 4.12Å; Y536-I547 HydrophobicContact CD1-CB 4.24Å; Y536-I547 HydrophobicContact CD1-CG1 3.49Å; Y536-I547 VanDerWaalsContact CD1-CG1 3.49Å; Y536-I547 HydrophobicContact CD1-CG2 3.86Å; Y536-I547 HydrophobicContact CE1-CB 4.3Å; Y536-I547 HydrophobicContact CE1-CG1 3.72Å; Y536-I547 HydrophobicContact CE1-CG2 3.59Å; Y536-I547 HydrophobicContact CE2-CG2 4.35Å; Y536-I547 HydrophobicContact CG-CG1 4.4Å; Y536-I547 HydrophobicContact CG-CG2 4.35Å; V545-I547 HydrophobicContact CG1-CD1 4.34Å; V545-I547 HydrophobicContact CG1-CG1 4.43Å; I547-A555 CarbonylContact O-C 3.56Å; I547-A555 WeakPolarHBondContact O-CA 3.38Å; I547-D556 PolarHBondContact N-O 3.21Å; I547-D556 PolarHBondContact O-N 2.96Å; I547-V558 HydrophobicContact CD1-CB 4.33Å; I547-V558 HydrophobicContact CD1-CG2 3.79Å; I547-F599 HydrophobicContact CB-CE1 4.45Å; I547-F599 HydrophobicContact CB-CZ 4.02Å; I547-F599 HydrophobicContact CD1-CD1 4.09Å; I547-F599 HydrophobicContact CD1-CE1 3.36Å; I547-F599 HydrophobicContact CD1-CE2 4.35Å; I547-F599 HydrophobicContact CD1-CZ 3.52Å; I547-F599 HydrophobicContact CG1-CE1 3.45Å; I547-F599 VanDerWaalsContact CG1-CE1 3.45Å; I547-F599 HydrophobicContact CG1-CZ 3.5Å; I547-F599 HydrophobicContact CG2-CZ 4.05Å
548	Y	90.6	Very high	90.2	Very high	25 Å²	25	44.4 Å²	44.4	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.3	-172.7	-163.6	-94.4	0	0	0	111.2	F510 R534 L535 V550 N553 A555	F510-Y548 HydrophobicContact CD1-CD1 4.42Å; F510-Y548 AromaticContact CD1-CE1 3.7Å; F510-Y548 HydrophobicContact CD1-CE1 3.7Å; F510-Y548 AromaticContact CD1-CE2 3.9Å; F510-Y548 HydrophobicContact CD1-CE2 3.9Å; F510-Y548 AromaticContact CD1-CZ 3.39Å; F510-Y548 WeakPolarHBondContact CD1-OH 3.44Å; F510-Y548 HydrophobicContact CD2-CD1 4.15Å; F510-Y548 HydrophobicContact CD2-CE1 4.18Å; F510-Y548 HydrophobicContact CD2-CG 4.46Å; F510-Y548 HydrophobicContact CE1-CD1 4.05Å; F510-Y548 AromaticContact CE1-CE1 3.14Å; F510-Y548 HydrophobicContact CE1-CE1 3.14Å; F510-Y548 HydrophobicContact CE1-CE2 4.17Å; F510-Y548 AromaticContact CE1-CZ 3.21Å; F510-Y548 WeakPolarHBondContact CE1-OH 3.45Å; F510-Y548 AromaticContact CE2-CD1 3.68Å; F510-Y548 HydrophobicContact CE2-CD1 3.68Å; F510-Y548 AromaticContact CE2-CE1 3.63Å; F510-Y548 HydrophobicContact CE2-CE1 3.63Å; F510-Y548 HydrophobicContact CE2-CG 4.42Å; F510-Y548 HydrophobicContact CG-CD1 4.49Å; F510-Y548 HydrophobicContact CG-CE1 4.21Å; F510-Y548 HydrophobicContact CG-CE2 4.28Å; F510-Y548 AromaticContact CZ-CD1 3.66Å; F510-Y548 HydrophobicContact CZ-CD1 3.66Å; F510-Y548 AromaticContact CZ-CE1 3.1Å; F510-Y548 HydrophobicContact CZ-CE1 3.1Å; F510-Y548 AromaticContact CZ-CZ 3.73Å; R534-Y548 WeakPolarHBondContact CA-O 3.44Å; L535-Y548 PolarHBondContact N-O 2.88Å; L535-Y548 PolarHBondContact O-N 2.6Å; Y548-V550 HydrophobicContact CD1-CG2 4.04Å; Y548-V550 PolarHBondContact O-N 2.88Å; Y548-N553 WeakPolarHBondContact OH-CA 3.45Å; Y548-N553 PolarHBondContact OH-OD1 3.34Å; Y548-A555 HydrophobicContact CD2-CB 3.86Å; Y548-A555 HydrophobicContact CE2-CB 4.3Å
549	D	88	Confident	90	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.134	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.2	168.1	-167.1	-51.2	0	0	0	108.9	R534 V551 Q552 N553 R554	R534-D549 HydrophobicContact CG-CB 4.42Å; R534-D549 IonicContact NE-OD2 3.17Å; R534-D549 PolarHBondContact NE-OD2 3.48Å; R534-D549 IonicContact NH2-OD2 3.78Å; D549-V551 VanDerWaalsContact C-N 3.26Å; D549-V551 PolarHBondContact O-N 3.48Å; D549-V551 PolarHBondContact OD1-N 3.42Å; D549-V551 VanDerWaalsContact OD1-N 3.12Å; D549-Q552 HydrophobicContact CB-CB 4.17Å; D549-Q552 PolarHBondContact OD1-N 3.04Å; D549-N553 WeakPolarHBondContact O-CA 3.28Å; D549-N553 PolarHBondContact O-N 3.44Å; D549-R554 PolarHBondContact N-O 3.22Å; D549-R554 PolarHBondContact O-N 2.93Å
550	V	78.6	Confident	89.9	Confident	13 Å²	13	51 Å²	51	8%	0.079	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-33	-174.8	-176	0	0	0	0	111.7	L499 W507 R508 F529 L535 Y548	L499-V550 HydrophobicContact CD2-CG1 4.24Å; L499-V550 HydrophobicContact CD2-CG2 4.42Å; W507-V550 HydrophobicContact CH2-CG1 3.93Å; W507-V550 HydrophobicContact CZ3-CG1 3.89Å; R508-V550 PolarHBondContact NH1-O 2.85Å; F529-V550 HydrophobicContact CE1-CG2 4.36Å; L535-V550 HydrophobicContact CB-CG2 4.37Å; Y548-V550 HydrophobicContact CD1-CG2 4.04Å; Y548-V550 PolarHBondContact O-N 2.88Å
551	V	80.4	Confident	90	Very high	135 Å²	135	55.5 Å²	55.5	82%	0.818	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-50.3	-176.8	-179	0	0	0	0	110.2	D549 N553	D549-V551 VanDerWaalsContact C-N 3.26Å; D549-V551 PolarHBondContact O-N 3.48Å; D549-V551 PolarHBondContact OD1-N 3.42Å; D549-V551 VanDerWaalsContact OD1-N 3.12Å; V551-N553 VanDerWaalsContact C-N 3.28Å; V551-N553 PolarHBondContact O-N 3.18Å
552	Q	78	Confident	90.1	Very high	122 Å²	122	54 Å²	54	57%	0.57	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.4	-178.1	-60.4	-170.5	-12.8	0	0	113.3	D549 R554	D549-Q552 HydrophobicContact CB-CB 4.17Å; D549-Q552 PolarHBondContact OD1-N 3.04Å; Q552-R554 HydrophobicContact CB-CB 4.42Å; Q552-R554 HydrophobicContact CB-CG 4.27Å; Q552-R554 PolarHBondContact O-N 3.21Å
553	N	79.3	Confident	90.1	Very high	85 Å²	85	56.8 Å²	56.8	46%	0.455	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	42.8	-177.1	-164.6	83	0	0	0	111.8	Y548 D549 V551	Y548-N553 WeakPolarHBondContact OH-CA 3.45Å; Y548-N553 PolarHBondContact OH-OD1 3.34Å; D549-N553 WeakPolarHBondContact O-CA 3.28Å; D549-N553 PolarHBondContact O-N 3.44Å; V551-N553 VanDerWaalsContact C-N 3.28Å; V551-N553 PolarHBondContact O-N 3.18Å
554	R	84.5	Confident	89.9	Confident	149 Å²	149	58 Å²	58	56%	0.562	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.3	-179.2	-75	-174.8	61.3	175.1	-4.7	110.2	D549 Q552	D549-R554 PolarHBondContact N-O 3.22Å; D549-R554 PolarHBondContact O-N 2.93Å; Q552-R554 HydrophobicContact CB-CB 4.42Å; Q552-R554 HydrophobicContact CB-CG 4.27Å; Q552-R554 PolarHBondContact O-N 3.21Å
555	A	87.5	Confident	89.7	Confident	26 Å²	26	62.1 Å²	62.1	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135	177	0	0	0	0	0	110.5	Y518 V546 I547 Y548	Y518-A555 HydrophobicContact CD2-CB 4.07Å; V546-A555 HydrophobicContact CG1-CB 4.22Å; I547-A555 CarbonylContact O-C 3.56Å; I547-A555 WeakPolarHBondContact O-CA 3.38Å; Y548-A555 HydrophobicContact CD2-CB 3.86Å; Y548-A555 HydrophobicContact CE2-CB 4.3Å
556	D	89.2	Confident	89.5	Confident	68 Å²	68	64.5 Å²	64.5	36%	0.364	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	153.6	168	-63.9	-55.1	0	0	0	109.2	V546 I547	V546-D556 WeakPolarHBondContact CA-O 3.39Å; I547-D556 PolarHBondContact N-O 3.21Å; I547-D556 PolarHBondContact O-N 2.96Å
557	I	91.3	Very high	89.7	Confident	69 Å²	69	65.5 Å²	65.5	35%	0.354	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.3	-177	-63	178	0	0	0	108.9	R544 V545 V546	R544-I557 HydrophobicContact CB-CG2 4.27Å; R544-I557 HydrophobicContact CG-CG2 4.23Å; V545-I557 WeakPolarHBondContact O-CA 3.49Å; V546-I557 HydrophobicContact CG2-CG1 4.27Å
558	V	93.2	Very high	89.9	Confident	22 Å²	22	65.4 Å²	65.4	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.1	178.1	-179.9	0	0	0	0	110.3	R544 V545 I547 L566 F599	R544-V558 WeakPolarHBondContact CA-O 3.44Å; R544-V558 WeakPolarHBondContact CB-O 2.97Å; V545-V558 PolarHBondContact N-O 3.08Å; V545-V558 PolarHBondContact O-N 2.96Å; I547-V558 HydrophobicContact CD1-CB 4.33Å; I547-V558 HydrophobicContact CD1-CG2 3.79Å; V558-L566 HydrophobicContact CG1-CD2 4.06Å; V558-F599 HydrophobicContact CG1-CB 4.32Å; V558-F599 HydrophobicContact CG2-CB 3.88Å; V558-F599 HydrophobicContact CG2-CD1 3.75Å; V558-F599 HydrophobicContact CG2-CD2 4.08Å; V558-F599 HydrophobicContact CG2-CE1 4.32Å; V558-F599 HydrophobicContact CG2-CG 3.62Å
559	G	92.6	Very high	90.2	Very high	22 Å²	22	68 Å²	68	23%	0.227	36%	0.357	C	S	.	.			trans	94	159.5	171.2	0	0	0	0	0	115.4	R544 L566	R544-G559 WeakPolarHBondContact CB-O 3.45Å; G559-L566 WeakPolarHBondContact CA-O 3.3Å
560	I	94.3	Very high	90.7	Very high	115 Å²	115	69.7 Å²	69.7	59%	0.59	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.9	-178.9	57.9	171.6	0	0	0	108.9	H543 G562 C567 F568	H543-I560 CarbonylContact O-C 3.56Å; I560-G562 PolarHBondContact O-N 3.42Å; I560-C567 CarbonylContact O-C 3.52Å; I560-C567 VanDerWaalsContact O-CA 3.25Å; I560-C567 WeakPolarHBondContact O-CA 3.31Å; I560-F568 PolarHBondContact O-N 3.37Å
561	E	97.7	Very high	91.6	Very high	119 Å²	119	69.1 Å²	69.1	56%	0.556	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.3	174.1	-173.7	170.2	-161.5	0	0	111.9	H543 F568 R569	H543-E561 HydrophobicContact CB-CB 3.79Å; H543-E561 HydrophobicContact CB-CG 4.32Å; H543-E561 IonicContact CE1-OE1 3.94Å; H543-E561 PolarHBondContact CE1-OE1 3.01Å; H543-E561 IonicContact ND1-OE1 2.7Å; H543-E561 IonicContact NE2-OE1 3.95Å; E561-F568 VanDerWaalsContact CA-O 3.32Å; E561-F568 WeakPolarHBondContact CA-O 3.3Å; E561-R569 HydrophobicContact CG-CG 4.23Å
562	G	97.3	Very high	92.5	Very high	14 Å²	14	63.3 Å²	63.3	14%	0.144	32%	0.322	C	S	.	.	S	Bend	trans	163.1	-174.3	174	0	0	0	0	0	114.2	I560 C567 F568 N589	I560-G562 PolarHBondContact O-N 3.42Å; G562-C567 VanDerWaalsContact C-CB 3.44Å; G562-C567 CarbonylContact O-C 3.5Å; G562-F568 PolarHBondContact N-O 2.96Å; G562-F568 CarbonylContact O-C 3.57Å; G562-N589 PolarHBondContact O-ND2 2.74Å
563	E	93.2	Very high	93.4	Very high	119 Å²	119	57.5 Å²	57.5	56%	0.556	30%	0.295	S	S	*	.	S	Bend	trans	-109.9	-10.7	-177.7	-58.6	177.9	-168.7	0	0	112.7	R569 R591	E563-R569 IonicContact OE1-CZ 3.47Å; E563-R569 IonicContact OE1-NH1 3.64Å; E563-R569 PolarHBondContact OE1-NH1 3.06Å; E563-R569 IonicContact OE1-NH2 3.75Å; E563-R569 PolarHBondContact OE1-NH2 2.97Å; E563-R591 VanDerWaalsContact O-CZ 3.24Å; E563-R591 PolarHBondContact O-NH1 3.45Å; E563-R591 PolarHBondContact O-NH2 2.82Å
564	G	92.8	Very high	94.3	Very high	39 Å²	39	53.6 Å²	53.6	40%	0.402	27%	0.274	S	S	.	.	S	Bend	trans	-74.1	-178.3	-179.5	0	0	0	0	0	113.7	C567 R591	G564-C567 WeakPolarHBondContact O-CB 3.34Å; G564-C567 PolarHBondContact O-N 3.42Å; G564-R591 PolarHBondContact O-NH2 2.98Å
565	E	92.3	Very high	95	Very high	127 Å²	127	47.9 Å²	47.9	59%	0.593	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	138.2	171.3	-58.3	179.1	168.9	0	0	109.9	C567 Y601	E565-C567 PolarHBondContact O-N 3.11Å; E565-C567 PolarHBondContact O-SG 3.35Å; E565-Y601 HydrophobicContact CB-CD1 4.15Å; E565-Y601 HydrophobicContact CB-CD2 4.15Å; E565-Y601 HydrophobicContact CB-CE1 4.46Å; E565-Y601 HydrophobicContact CB-CE2 4.46Å; E565-Y601 HydrophobicContact CB-CG 3.97Å; E565-Y601 VanDerWaalsContact CD-CD1 3.41Å; E565-Y601 VanDerWaalsContact CD-CE1 3.45Å; E565-Y601 HydrophobicContact CG-CD1 3.79Å; E565-Y601 HydrophobicContact CG-CD2 4.33Å; E565-Y601 HydrophobicContact CG-CE1 3.69Å; E565-Y601 HydrophobicContact CG-CE2 4.25Å; E565-Y601 HydrophobicContact CG-CG 4.11Å; E565-Y601 VanDerWaalsContact OE1-CE1 3.25Å; E565-Y601 WeakPolarHBondContact OE1-CE1 3.38Å
566	L	92.2	Very high	95.4	Very high	56 Å²	56	47.2 Å²	47.2	29%	0.293	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	6.3	-174.9	-62.4	170.5	0	0	0	114.9	V558 G559 L595	V558-L566 HydrophobicContact CG1-CD2 4.06Å; G559-L566 WeakPolarHBondContact CA-O 3.3Å; L566-L595 HydrophobicContact CD2-CD1 3.67Å; L566-L595 HydrophobicContact CD2-CD2 3.45Å; L566-L595 VanDerWaalsContact CD2-CD2 3.45Å; L566-L595 HydrophobicContact CD2-CG 4.21Å
567	C	97.1	Very high	95.5	Very high	23 Å²	23	44.2 Å²	44.2	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	143.3	171.7	-54.5	0	0	0	0	109.3	I560 G562 G564 E565 R591 Q593	I560-C567 CarbonylContact O-C 3.52Å; I560-C567 VanDerWaalsContact O-CA 3.25Å; I560-C567 WeakPolarHBondContact O-CA 3.31Å; G562-C567 VanDerWaalsContact C-CB 3.44Å; G562-C567 CarbonylContact O-C 3.5Å; G564-C567 WeakPolarHBondContact O-CB 3.34Å; G564-C567 PolarHBondContact O-N 3.42Å; E565-C567 PolarHBondContact O-N 3.11Å; E565-C567 PolarHBondContact O-SG 3.35Å; C567-R591 PolarHBondContact O-NH2 3.48Å; C567-Q593 PolarHBondContact O-NE2 3.02Å
568	F	97.7	Very high	95.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.4	-177.5	-54.3	-75.3	0	0	0	111.7	H543 V545 I560 E561 G562 P571 I584 D586 Q593	H543-F568 PolarHBondContact ND1-O 3.27Å; V545-F568 HydrophobicContact CG2-CE2 4.09Å; V545-F568 HydrophobicContact CG2-CZ 4.24Å; I560-F568 PolarHBondContact O-N 3.37Å; E561-F568 VanDerWaalsContact CA-O 3.32Å; E561-F568 WeakPolarHBondContact CA-O 3.3Å; G562-F568 PolarHBondContact N-O 2.96Å; G562-F568 CarbonylContact O-C 3.57Å; F568-P571 HydrophobicContact CB-CB 4.22Å; F568-P571 HydrophobicContact CB-CG 4.03Å; F568-P571 HydrophobicContact CD1-CB 4.49Å; F568-P571 HydrophobicContact CG-CB 4.41Å; F568-P571 HydrophobicContact CG-CG 4.48Å; F568-I584 HydrophobicContact CD1-CG2 4.13Å; F568-I584 HydrophobicContact CE1-CB 4.03Å; F568-I584 HydrophobicContact CE1-CG1 4.45Å; F568-I584 HydrophobicContact CE1-CG2 3.85Å; F568-I584 HydrophobicContact CZ-CD1 4.45Å; F568-D586 WeakPolarHBondContact CA-OD1 3.24Å; F568-D586 HydrophobicContact CD1-CB 4.17Å; F568-Q593 HydrophobicContact CE1-CB 4.3Å
569	R	98	Very high	94.4	Very high	81 Å²	81	46.6 Å²	46.6	31%	0.306	24%	0.243	S	C	.	.	S	Bend	trans	-124.6	105.4	162.8	-72.5	-173.4	178.1	158.2	8.2	109.7	H543 E561 E563 D586 R588 N589	H543-R569 WeakPolarHBondContact ND1-CA 3.2Å; E561-R569 HydrophobicContact CG-CG 4.23Å; E563-R569 IonicContact OE1-CZ 3.47Å; E563-R569 IonicContact OE1-NH1 3.64Å; E563-R569 PolarHBondContact OE1-NH1 3.06Å; E563-R569 IonicContact OE1-NH2 3.75Å; E563-R569 PolarHBondContact OE1-NH2 2.97Å; R569-D586 PolarHBondContact N-OD1 2.93Å; R569-R588 HydrophobicContact CB-CB 3.65Å; R569-R588 WeakPolarHBondContact O-CB 3.47Å; R569-R588 PolarHBondContact O-N 2.8Å; R569-N589 PolarHBondContact N-ND2 2.87Å
570	R	97.2	Very high	94.2	Very high	60 Å²	60	45.8 Å²	45.8	23%	0.226	23%	0.234	C	C	.	.	S	Bend	trans	57.9	59.5	178.6	-57.6	-53.7	178.6	82.5	0.6	112.1	F540 H543 R588	F540-R570 HydrophobicContact CD2-CB 3.85Å; F540-R570 HydrophobicContact CE2-CB 3.48Å; F540-R570 VanDerWaalsContact CE2-CB 3.48Å; F540-R570 HydrophobicContact CE2-CG 4.17Å; F540-R570 HydrophobicContact CZ-CB 3.9Å; F540-R570 HydrophobicContact CZ-CG 4.07Å; F540-R570 WeakPolarHBondContact O-CD 3.26Å; H543-R570 PolarHBondContact CE1-NE 3.33Å; H543-R570 VanDerWaalsContact CE1-NE 3.32Å; H543-R570 PolarHBondContact ND1-N 2.98Å; H543-R570 PolarHBondContact NE2-NE 3.16Å; H543-R570 VanDerWaalsContact NE2-NE 3.18Å; R570-R588 HydrophobicContact CB-CG 4.1Å; R570-R588 HydrophobicContact CG-CG 4.06Å
571	P	98.3	Very high	94.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	138.5	177.1	28.9	-34.3	0	0	0	110.2	T538 F540 F568 I584 A585	T538-P571 HydrophobicContact CG2-CB 4.11Å; F540-P571 WeakPolarHBondContact CD2-O 3.42Å; F568-P571 HydrophobicContact CB-CB 4.22Å; F568-P571 HydrophobicContact CB-CG 4.03Å; F568-P571 HydrophobicContact CD1-CB 4.49Å; F568-P571 HydrophobicContact CG-CB 4.41Å; F568-P571 HydrophobicContact CG-CG 4.48Å; P571-I584 HydrophobicContact CB-CG2 3.9Å; P571-A585 CarbonylContact C-O 3.55Å; P571-A585 WeakPolarHBondContact CA-O 3.45Å
572	Q	98.2	Very high	94	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-106.9	-177.7	-69.3	-165.9	82.5	0	0	111.1	W383 R525 G526 T538 F540 A585 S587 T621	W383-Q572 HydrophobicContact CZ2-CB 4.39Å; R525-Q572 VanDerWaalsContact NH1-OE1 3.08Å; G526-Q572 WeakPolarHBondContact CA-O 3.47Å; G526-Q572 PolarHBondContact N-O 3.38Å; G526-Q572 VanDerWaalsContact N-O 3.16Å; T538-Q572 VanDerWaalsContact CB-O 3.28Å; T538-Q572 WeakPolarHBondContact CB-O 3.27Å; T538-Q572 WeakPolarHBondContact CG2-O 3.44Å; T538-Q572 PolarHBondContact OG1-O 3.22Å; F540-Q572 HydrophobicContact CD2-CG 3.89Å; F540-Q572 HydrophobicContact CE2-CG 3.9Å; Q572-A585 PolarHBondContact N-O 3.19Å; Q572-S587 WeakPolarHBondContact CB-OG 3.31Å; Q572-S587 VanDerWaalsContact CG-OG 3.26Å; Q572-S587 WeakPolarHBondContact CG-OG 3.16Å; Q572-S587 VanDerWaalsContact NE2-CB 3.35Å; Q572-S587 PolarHBondContact NE2-OG 3.16Å; Q572-T621 WeakPolarHBondContact CB-O 3.38Å
573	G	98.4	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	154.2	179.8	0	0	0	0	0	113.2	A585 T621 D622	G573-A585 WeakPolarHBondContact O-CB 3.41Å; G573-A585 PolarHBondContact O-N 2.93Å; G573-T621 WeakPolarHBondContact CA-O 3.42Å; G573-T621 PolarHBondContact N-O 2.81Å; G573-D622 WeakPolarHBondContact CA-OD1 3.45Å
574	I	98.8	Very high	94.3	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.9	-179.2	-176.5	161.7	0	0	0	107.9	G526 S528 T538 V545 I582 F583 I584	G526-I574 VanDerWaalsContact C-CG2 3.5Å; S528-I574 VanDerWaalsContact CB-O 3.27Å; S528-I574 WeakPolarHBondContact CB-O 3.47Å; T538-I574 HydrophobicContact CG2-CB 3.81Å; T538-I574 HydrophobicContact CG2-CD1 4.24Å; T538-I574 HydrophobicContact CG2-CG2 4Å; V545-I574 HydrophobicContact CG1-CD1 3.66Å; V545-I574 HydrophobicContact CG2-CD1 4.49Å; I574-I582 HydrophobicContact CD1-CG2 3.77Å; I574-I582 HydrophobicContact CG1-CG2 3.97Å; I574-F583 CarbonylContact C-O 3.48Å; I574-F583 WeakPolarHBondContact CA-O 3.47Å; I574-I584 HydrophobicContact CD1-CG1 3.81Å; I574-I584 HydrophobicContact CG1-CG1 4.09Å
575	D	98.5	Very high	94.6	Very high	29 Å²	29	27.4 Å²	27.4	16%	0.155	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.5	171.6	-162.7	24.2	0	0	0	111.4	S528 F583 V623 C624 V625	S528-D575 PolarHBondContact OG-OD1 3.18Å; D575-F583 PolarHBondContact N-O 3.17Å; D575-F583 PolarHBondContact O-N 2.95Å; D575-V623 HydrophobicContact CB-CG1 4.28Å; D575-V623 WeakPolarHBondContact CB-O 3.49Å; D575-C624 VanDerWaalsContact OD2-CA 3.28Å; D575-C624 WeakPolarHBondContact OD2-CA 3.44Å; D575-V625 PolarHBondContact OD2-N 2.91Å
576	V	95.7	Very high	94.8	Very high	13 Å²	13	21.3 Å²	21.3	8%	0.079	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.3	-179.2	-173.4	0	0	0	0	108.8	S528 Y536 N581 I582	S528-V576 PolarHBondContact OG-N 2.94Å; Y536-V576 HydrophobicContact CD1-CG2 4.37Å; Y536-V576 HydrophobicContact CD2-CG2 3.68Å; Y536-V576 HydrophobicContact CE2-CG2 4.01Å; Y536-V576 HydrophobicContact CG-CG2 3.9Å; V576-N581 WeakPolarHBondContact CA-O 3.42Å; V576-I582 HydrophobicContact CG2-CG1 4.36Å; V576-I582 HydrophobicContact CG2-CG2 4.3Å
577	D	91.1	Very high	95	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.027	9%	0.09	C	C	.	.			trans	-77.3	173.2	-179.6	80	6.3	0	0	0	112.8	R356 Y358 Q579 G580 N581 F583 V625	R356-D577 IonicContact NH1-OD2 3.52Å; R356-D577 PolarHBondContact NH1-OD2 3.5Å; Y358-D577 WeakPolarHBondContact CE2-OD2 3.45Å; Y358-D577 PolarHBondContact OH-OD2 3.03Å; D577-Q579 PolarHBondContact O-N 3.22Å; D577-Q579 WeakPolarHBondContact OD1-CA 3.5Å; D577-Q579 WeakPolarHBondContact OD1-CB 3.29Å; D577-Q579 PolarHBondContact OD1-N 3.24Å; D577-G580 PolarHBondContact O-N 3.25Å; D577-G580 PolarHBondContact OD1-N 3.05Å; D577-N581 PolarHBondContact N-O 3.16Å; D577-N581 PolarHBondContact OD1-N 2.89Å; D577-N581 PolarHBondContact OD1-ND2 3.43Å; D577-N581 PolarHBondContact OD2-ND2 3.33Å; D577-F583 HydrophobicContact CB-CE2 4.06Å; D577-V625 HydrophobicContact CB-CB 4.37Å; D577-V625 HydrophobicContact CB-CG1 4.1Å
578	I	83.1	Confident	95	Very high	111 Å²	111	25 Å²	25	57%	0.569	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.7	179.8	64.2	175.5	0	0	0	114.3
579	Q	78.7	Confident	94.8	Very high	30 Å²	30	26.1 Å²	26.1	14%	0.14	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	0.3	176.4	-65.1	-176.9	-29.2	0	0	111.9	H268 D577	H268-Q579 PolarHBondContact O-NE2 3.36Å; H268-Q579 VanDerWaalsContact O-NE2 3.09Å; D577-Q579 PolarHBondContact O-N 3.22Å; D577-Q579 WeakPolarHBondContact OD1-CA 3.5Å; D577-Q579 WeakPolarHBondContact OD1-CB 3.29Å; D577-Q579 PolarHBondContact OD1-N 3.24Å
580	G	88.1	Confident	94.7	Very high	4 Å²	4	24.1 Å²	24.1	4%	0.041	11%	0.112	C	C	.	.			trans	81.1	13.3	-178.7	0	0	0	0	0	114	D577 S597	D577-G580 PolarHBondContact O-N 3.25Å; D577-G580 PolarHBondContact OD1-N 3.05Å; G580-S597 VanDerWaalsContact O-CA 3.26Å; G580-S597 WeakPolarHBondContact O-CA 3.32Å; G580-S597 WeakPolarHBondContact O-CB 3.22Å; G580-S597 PolarHBondContact O-N 2.9Å
581	N	92	Very high	94.6	Very high	18 Å²	18	22 Å²	22	10%	0.096	10%	0.104	C	C	.	.			trans	-72.6	136.6	171.2	-56.4	-75.4	0	0	0	109.4	Y358 V576 D577 F583 L595	Y358-N581 HydrophobicContact CD2-CB 4.3Å; Y358-N581 HydrophobicContact CE2-CB 3.81Å; V576-N581 WeakPolarHBondContact CA-O 3.42Å; D577-N581 PolarHBondContact N-O 3.16Å; D577-N581 PolarHBondContact OD1-N 2.89Å; D577-N581 PolarHBondContact OD1-ND2 3.43Å; D577-N581 PolarHBondContact OD2-ND2 3.33Å; N581-F583 HydrophobicContact CB-CE2 3.88Å; N581-F583 HydrophobicContact CB-CZ 4.3Å; N581-F583 WeakPolarHBondContact O-CD2 3.44Å; N581-F583 WeakPolarHBondContact O-CE2 3.29Å; N581-L595 CarbonylContact C-O 3.49Å; N581-L595 VanDerWaalsContact CA-O 3.32Å; N581-L595 WeakPolarHBondContact CA-O 3.4Å
582	I	95.9	Very high	94.5	Very high	2 Å²	2	22 Å²	22	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.7	-169.8	-48.8	166.1	0	0	0	108.7	Y536 I574 V576 I584 I594 L595 F599	Y536-I582 HydrophobicContact CD1-CD1 4.02Å; Y536-I582 HydrophobicContact CD1-CG1 4.44Å; Y536-I582 HydrophobicContact CD1-CG2 4.39Å; Y536-I582 HydrophobicContact CE1-CD1 3.5Å; Y536-I582 HydrophobicContact CE1-CG1 4.07Å; I574-I582 HydrophobicContact CD1-CG2 3.77Å; I574-I582 HydrophobicContact CG1-CG2 3.97Å; V576-I582 HydrophobicContact CG2-CG1 4.36Å; V576-I582 HydrophobicContact CG2-CG2 4.3Å; I582-I584 HydrophobicContact CB-CD1 4.25Å; I582-I584 HydrophobicContact CG2-CD1 3.64Å; I582-I584 HydrophobicContact CG2-CG1 4.04Å; I582-I594 CarbonylContact O-C 3.58Å; I582-I594 VanDerWaalsContact O-CA 3.29Å; I582-I594 WeakPolarHBondContact O-CA 3.49Å; I582-L595 HydrophobicContact CB-CB 4.29Å; I582-L595 PolarHBondContact N-O 3.32Å; I582-L595 PolarHBondContact O-N 3.14Å; I582-F599 HydrophobicContact CD1-CD1 3.62Å; I582-F599 HydrophobicContact CD1-CE1 3.46Å; I582-F599 VanDerWaalsContact CD1-CE1 3.46Å
583	F	98.1	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.3	-177.7	-62.6	-100.7	0	0	0	108.5	Y358 I574 D575 D577 N581 I592 Q593 I594 V623 V625 I631	Y358-F583 HydrophobicContact CD1-CE1 4.4Å; Y358-F583 HydrophobicContact CD1-CZ 4.32Å; Y358-F583 HydrophobicContact CD2-CZ 4.09Å; Y358-F583 HydrophobicContact CE1-CE1 4.23Å; Y358-F583 AromaticContact CE1-CZ 3.85Å; Y358-F583 HydrophobicContact CE1-CZ 3.85Å; Y358-F583 HydrophobicContact CE2-CE1 4.48Å; Y358-F583 HydrophobicContact CE2-CE2 4.36Å; Y358-F583 AromaticContact CE2-CZ 3.59Å; Y358-F583 HydrophobicContact CE2-CZ 3.59Å; Y358-F583 HydrophobicContact CG-CZ 4.42Å; Y358-F583 AromaticContact CZ-CZ 3.45Å; Y358-F583 VanDerWaalsContact CZ-CZ 3.45Å; I574-F583 CarbonylContact C-O 3.48Å; I574-F583 WeakPolarHBondContact CA-O 3.47Å; D575-F583 PolarHBondContact N-O 3.17Å; D575-F583 PolarHBondContact O-N 2.95Å; D577-F583 HydrophobicContact CB-CE2 4.06Å; N581-F583 HydrophobicContact CB-CE2 3.88Å; N581-F583 HydrophobicContact CB-CZ 4.3Å; N581-F583 WeakPolarHBondContact O-CD2 3.44Å; N581-F583 WeakPolarHBondContact O-CE2 3.29Å; F583-I592 HydrophobicContact CB-CG2 4.05Å; F583-I592 HydrophobicContact CD1-CG2 4.43Å; F583-Q593 WeakPolarHBondContact CA-O 3.42Å; F583-I594 HydrophobicContact CD1-CB 4.49Å; F583-I594 HydrophobicContact CD1-CD1 3.95Å; F583-I594 HydrophobicContact CD1-CG1 3.66Å; F583-I594 HydrophobicContact CD1-CG2 4.28Å; F583-I594 HydrophobicContact CE1-CB 4.38Å; F583-I594 HydrophobicContact CE1-CD1 3.54Å; F583-I594 HydrophobicContact CE1-CG1 3.68Å; F583-I594 HydrophobicContact CE1-CG2 3.85Å; F583-I594 HydrophobicContact CZ-CG2 3.97Å; F583-V623 HydrophobicContact CB-CG1 3.92Å; F583-V623 HydrophobicContact CB-CG2 4.12Å; F583-V625 HydrophobicContact CD1-CG2 3.97Å; F583-V625 HydrophobicContact CD2-CG2 3.59Å; F583-V625 HydrophobicContact CE1-CG2 4.03Å; F583-V625 HydrophobicContact CE2-CG2 3.68Å; F583-V625 HydrophobicContact CG-CG2 3.76Å; F583-V625 HydrophobicContact CZ-CG2 3.9Å; F583-I631 HydrophobicContact CD1-CD1 4.14Å; F583-I631 HydrophobicContact CD1-CG1 4.46Å; F583-I631 HydrophobicContact CD1-CG2 4.35Å; F583-I631 HydrophobicContact CE1-CD1 3.51Å; F583-I631 HydrophobicContact CE1-CG1 3.94Å; F583-I631 HydrophobicContact CZ-CD1 4.44Å
584	I	98.6	Very high	94.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.1	-176.2	-54.3	97.1	0	0	0	109.9	T538 V545 F568 P571 I574 I582 D586 I592 Q593 L595	T538-I584 HydrophobicContact CG2-CG2 4.22Å; V545-I584 HydrophobicContact CG2-CG1 4.19Å; V545-I584 HydrophobicContact CG2-CG2 4.25Å; F568-I584 HydrophobicContact CD1-CG2 4.13Å; F568-I584 HydrophobicContact CE1-CB 4.03Å; F568-I584 HydrophobicContact CE1-CG1 4.45Å; F568-I584 HydrophobicContact CE1-CG2 3.85Å; F568-I584 HydrophobicContact CZ-CD1 4.45Å; P571-I584 HydrophobicContact CB-CG2 3.9Å; I574-I584 HydrophobicContact CD1-CG1 3.81Å; I574-I584 HydrophobicContact CG1-CG1 4.09Å; I582-I584 HydrophobicContact CB-CD1 4.25Å; I582-I584 HydrophobicContact CG2-CD1 3.64Å; I582-I584 HydrophobicContact CG2-CG1 4.04Å; I584-D586 PolarHBondContact O-N 3.03Å; I584-D586 VanDerWaalsContact O-N 3.09Å; I584-I592 CarbonylContact O-C 3.59Å; I584-I592 VanDerWaalsContact O-CA 3.28Å; I584-I592 WeakPolarHBondContact O-CA 3.21Å; I584-Q593 PolarHBondContact N-O 3.46Å; I584-Q593 PolarHBondContact O-N 2.9Å; I584-L595 HydrophobicContact CD1-CD1 3.66Å; I584-L595 HydrophobicContact CD1-CG 3.78Å
585	A	98.2	Very high	94	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	97.5	171.9	0	0	0	0	0	110.5	P571 Q572 G573 S587 I592	P571-A585 CarbonylContact C-O 3.55Å; P571-A585 WeakPolarHBondContact CA-O 3.45Å; Q572-A585 PolarHBondContact N-O 3.19Å; G573-A585 WeakPolarHBondContact O-CB 3.41Å; G573-A585 PolarHBondContact O-N 2.93Å; A585-S587 PolarHBondContact O-N 3.02Å; A585-S587 VanDerWaalsContact O-N 3.15Å; A585-I592 HydrophobicContact CB-CD1 3.68Å
586	D	97.4	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	73.9	-178.8	-174.3	10.4	0	0	0	109.7	F568 R569 I584 R588 N589 N590 R591 Q593	F568-D586 WeakPolarHBondContact CA-OD1 3.24Å; F568-D586 HydrophobicContact CD1-CB 4.17Å; R569-D586 PolarHBondContact N-OD1 2.93Å; I584-D586 PolarHBondContact O-N 3.03Å; I584-D586 VanDerWaalsContact O-N 3.09Å; D586-R588 PolarHBondContact O-N 2.85Å; D586-N589 HydrophobicContact CB-CB 4.5Å; D586-N589 VanDerWaalsContact CG-ND2 3.35Å; D586-N589 CarbonylContact O-C 3.45Å; D586-N589 PolarHBondContact O-N 2.9Å; D586-N589 PolarHBondContact OD1-ND2 2.92Å; D586-N589 WeakPolarHBondContact OD2-CB 3.33Å; D586-N589 PolarHBondContact OD2-ND2 3.47Å; D586-N590 PolarHBondContact O-N 3.36Å; D586-R591 HydrophobicContact CB-CG 3.86Å; D586-R591 PolarHBondContact N-O 2.82Å; D586-R591 IonicContact OD2-CZ 3.68Å; D586-R591 IonicContact OD2-NE 2.77Å; D586-R591 PolarHBondContact OD2-NE 3.2Å; D586-R591 IonicContact OD2-NH2 3.03Å; D586-R591 PolarHBondContact OD2-NH2 3.08Å; D586-R591 VanDerWaalsContact OD2-NH2 3.09Å; D586-Q593 PolarHBondContact OD2-NE2 3.2Å; D586-Q593 VanDerWaalsContact OD2-NE2 3.15Å
587	S	96.9	Very high	93	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.2	-44.3	-157.6	-52.5	0	0	0	0	114.9	Q572 A585 N589 N590 T619 P620	Q572-S587 WeakPolarHBondContact CB-OG 3.31Å; Q572-S587 VanDerWaalsContact CG-OG 3.26Å; Q572-S587 WeakPolarHBondContact CG-OG 3.16Å; Q572-S587 VanDerWaalsContact NE2-CB 3.35Å; Q572-S587 PolarHBondContact NE2-OG 3.16Å; A585-S587 PolarHBondContact O-N 3.02Å; A585-S587 VanDerWaalsContact O-N 3.15Å; S587-N589 VanDerWaalsContact C-N 3.26Å; S587-N589 PolarHBondContact O-N 2.92Å; S587-N590 PolarHBondContact O-N 2.87Å; S587-N590 VanDerWaalsContact O-N 3.14Å; S587-N590 PolarHBondContact O-OD1 3.22Å; S587-T619 WeakPolarHBondContact O-CA 3.25Å; S587-P620 WeakPolarHBondContact CB-O 3.32Å; S587-P620 PolarHBondContact OG-O 3.33Å
588	R	95.6	Very high	92.7	Very high	154 Å²	154	28.9 Å²	28.9	58%	0.581	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-75.3	-17	-179.9	-77	-169.6	175.3	-165.2	-4.5	113.5	R569 R570 D586 N590	R569-R588 HydrophobicContact CB-CB 3.65Å; R569-R588 WeakPolarHBondContact O-CB 3.47Å; R569-R588 PolarHBondContact O-N 2.8Å; R570-R588 HydrophobicContact CB-CG 4.1Å; R570-R588 HydrophobicContact CG-CG 4.06Å; D586-R588 PolarHBondContact O-N 2.85Å; R588-N590 VanDerWaalsContact C-N 3.3Å
589	N	95.1	Very high	93	Very high	25 Å²	25	25.5 Å²	25.5	13%	0.134	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-91.5	5.5	171.5	-66.3	-26.6	0	0	0	112	G562 R569 D586 S587 R591	G562-N589 PolarHBondContact O-ND2 2.74Å; R569-N589 PolarHBondContact N-ND2 2.87Å; D586-N589 HydrophobicContact CB-CB 4.5Å; D586-N589 VanDerWaalsContact CG-ND2 3.35Å; D586-N589 CarbonylContact O-C 3.45Å; D586-N589 PolarHBondContact O-N 2.9Å; D586-N589 PolarHBondContact OD1-ND2 2.92Å; D586-N589 WeakPolarHBondContact OD2-CB 3.33Å; D586-N589 PolarHBondContact OD2-ND2 3.47Å; S587-N589 VanDerWaalsContact C-N 3.26Å; S587-N589 PolarHBondContact O-N 2.92Å; N589-R591 VanDerWaalsContact C-N 3.26Å; N589-R591 HydrophobicContact CB-CG 4.08Å; N589-R591 PolarHBondContact O-N 2.77Å
590	N	95.1	Very high	93.5	Very high	38 Å²	38	26.4 Å²	26.4	20%	0.203	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	37	174.4	-66.6	-32.8	0	0	0	114.2	D586 S587 R588 P615 M617 T619	D586-N590 PolarHBondContact O-N 3.36Å; S587-N590 PolarHBondContact O-N 2.87Å; S587-N590 VanDerWaalsContact O-N 3.14Å; S587-N590 PolarHBondContact O-OD1 3.22Å; R588-N590 VanDerWaalsContact C-N 3.3Å; N590-P615 HydrophobicContact CB-CB 4.4Å; N590-M617 WeakPolarHBondContact CB-O 3.38Å; N590-T619 PolarHBondContact OD1-N 3.18Å
591	R	95.1	Very high	93.6	Very high	15 Å²	15	28.8 Å²	28.8	6%	0.057	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162.8	-175.1	69.1	-175.5	177.9	-176.1	-3	112.5	E563 G564 C567 D586 N589 Q593 I605 L607	E563-R591 VanDerWaalsContact O-CZ 3.24Å; E563-R591 PolarHBondContact O-NH1 3.45Å; E563-R591 PolarHBondContact O-NH2 2.82Å; G564-R591 PolarHBondContact O-NH2 2.98Å; C567-R591 PolarHBondContact O-NH2 3.48Å; D586-R591 HydrophobicContact CB-CG 3.86Å; D586-R591 PolarHBondContact N-O 2.82Å; D586-R591 IonicContact OD2-CZ 3.68Å; D586-R591 IonicContact OD2-NE 2.77Å; D586-R591 PolarHBondContact OD2-NE 3.2Å; D586-R591 IonicContact OD2-NH2 3.03Å; D586-R591 PolarHBondContact OD2-NH2 3.08Å; D586-R591 VanDerWaalsContact OD2-NH2 3.09Å; N589-R591 VanDerWaalsContact C-N 3.26Å; N589-R591 HydrophobicContact CB-CG 4.08Å; N589-R591 PolarHBondContact O-N 2.77Å; R591-Q593 HydrophobicContact CG-CG 4.45Å; R591-Q593 VanDerWaalsContact CZ-NE2 3.34Å; R591-I605 WeakPolarHBondContact CA-O 3.29Å; R591-I605 WeakPolarHBondContact CB-O 3.3Å; R591-L607 HydrophobicContact CB-CD2 4.06Å; R591-L607 HydrophobicContact CB-CG 4.5Å
592	I	96.5	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127	159.2	-47.7	-57.6	0	0	0	107.7	F583 I584 A585 S604 I605 M617 P620 V623 V633	F583-I592 HydrophobicContact CB-CG2 4.05Å; F583-I592 HydrophobicContact CD1-CG2 4.43Å; I584-I592 CarbonylContact O-C 3.59Å; I584-I592 VanDerWaalsContact O-CA 3.28Å; I584-I592 WeakPolarHBondContact O-CA 3.21Å; A585-I592 HydrophobicContact CB-CD1 3.68Å; I592-S604 CarbonylContact O-C 3.59Å; I592-S604 VanDerWaalsContact O-CA 3.28Å; I592-S604 WeakPolarHBondContact O-CA 3.35Å; I592-I605 HydrophobicContact CB-CD1 3.98Å; I592-I605 HydrophobicContact CB-CG1 3.59Å; I592-I605 HydrophobicContact CG1-CD1 4.1Å; I592-I605 HydrophobicContact CG1-CG1 4.04Å; I592-I605 HydrophobicContact CG2-CG1 4.48Å; I592-I605 PolarHBondContact N-O 3.33Å; I592-I605 PolarHBondContact O-N 3.13Å; I592-M617 HydrophobicContact CD1-CE 4.48Å; I592-M617 HydrophobicContact CG1-CE 3.99Å; I592-P620 HydrophobicContact CD1-CB 3.89Å; I592-P620 HydrophobicContact CD1-CG 4.21Å; I592-V623 HydrophobicContact CD1-CB 4.34Å; I592-V623 HydrophobicContact CG2-CG2 4.41Å; I592-V633 HydrophobicContact CD1-CG1 3.84Å; I592-V633 HydrophobicContact CD1-CG2 4.21Å; I592-V633 HydrophobicContact CG1-CG1 4.12Å; I592-V633 HydrophobicContact CG1-CG2 3.74Å
593	Q	95.9	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.1	169.6	-76.3	-169.6	64.2	0	0	110.3	C567 F568 F583 I584 D586 R591 Y601	C567-Q593 PolarHBondContact O-NE2 3.02Å; F568-Q593 HydrophobicContact CE1-CB 4.3Å; F583-Q593 WeakPolarHBondContact CA-O 3.42Å; I584-Q593 PolarHBondContact N-O 3.46Å; I584-Q593 PolarHBondContact O-N 2.9Å; D586-Q593 PolarHBondContact OD2-NE2 3.2Å; D586-Q593 VanDerWaalsContact OD2-NE2 3.15Å; R591-Q593 HydrophobicContact CG-CG 4.45Å; R591-Q593 VanDerWaalsContact CZ-NE2 3.34Å; Q593-Y601 HydrophobicContact CG-CE2 4.47Å
594	I	95.3	Very high	93.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.1	178.9	-51.4	176.4	0	0	0	108.6	Y358 I582 F583 V602 T603 I605 I631	Y358-I594 HydrophobicContact CD1-CD1 4.41Å; Y358-I594 HydrophobicContact CD2-CG2 3.9Å; Y358-I594 HydrophobicContact CG-CD1 4.14Å; Y358-I594 HydrophobicContact CG-CG2 4.16Å; I582-I594 CarbonylContact O-C 3.58Å; I582-I594 VanDerWaalsContact O-CA 3.29Å; I582-I594 WeakPolarHBondContact O-CA 3.49Å; F583-I594 HydrophobicContact CD1-CB 4.49Å; F583-I594 HydrophobicContact CD1-CD1 3.95Å; F583-I594 HydrophobicContact CD1-CG1 3.66Å; F583-I594 HydrophobicContact CD1-CG2 4.28Å; F583-I594 HydrophobicContact CE1-CB 4.38Å; F583-I594 HydrophobicContact CE1-CD1 3.54Å; F583-I594 HydrophobicContact CE1-CG1 3.68Å; F583-I594 HydrophobicContact CE1-CG2 3.85Å; F583-I594 HydrophobicContact CZ-CG2 3.97Å; I594-V602 HydrophobicContact CB-CB 4.46Å; I594-V602 HydrophobicContact CG2-CB 4.33Å; I594-V602 WeakPolarHBondContact O-CA 3.37Å; I594-V602 VanDerWaalsContact O-CB 3.31Å; I594-V602 WeakPolarHBondContact O-CB 3.42Å; I594-V602 PolarHBondContact O-N 3.37Å; I594-T603 HydrophobicContact CB-CG2 4.32Å; I594-T603 HydrophobicContact CD1-CG2 3.88Å; I594-T603 HydrophobicContact CG1-CG2 4.37Å; I594-T603 PolarHBondContact N-O 2.69Å; I594-T603 PolarHBondContact O-N 3.44Å; I594-I605 HydrophobicContact CD1-CG2 4.2Å; I594-I631 HydrophobicContact CD1-CD1 4.21Å
595	L	93.9	Very high	92.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	158.4	180	-45.3	-178.9	0	0	0	110.8	L566 N581 I582 I584 A600 Y601	L566-L595 HydrophobicContact CD2-CD1 3.67Å; L566-L595 HydrophobicContact CD2-CD2 3.45Å; L566-L595 VanDerWaalsContact CD2-CD2 3.45Å; L566-L595 HydrophobicContact CD2-CG 4.21Å; N581-L595 CarbonylContact C-O 3.49Å; N581-L595 VanDerWaalsContact CA-O 3.32Å; N581-L595 WeakPolarHBondContact CA-O 3.4Å; I582-L595 HydrophobicContact CB-CB 4.29Å; I582-L595 PolarHBondContact N-O 3.32Å; I582-L595 PolarHBondContact O-N 3.14Å; I584-L595 HydrophobicContact CD1-CD1 3.66Å; I584-L595 HydrophobicContact CD1-CG 3.78Å; L595-A600 CarbonylContact C-O 3.57Å; L595-A600 WeakPolarHBondContact CA-O 3.32Å; L595-Y601 HydrophobicContact CD2-CD2 4.08Å
596	T	88.4	Confident	92.1	Very high	31 Å²	31	30.9 Å²	30.9	19%	0.19	16%	0.156	C	C	.	.			trans	-75.7	169.8	168.2	74.4	0	0	0	0	111.2	Q598 F599 A600 V602	T596-Q598 PolarHBondContact O-N 2.95Å; T596-Q598 VanDerWaalsContact O-N 3.14Å; T596-Q598 PolarHBondContact OG1-N 3.08Å; T596-Q598 PolarHBondContact OG1-OE1 3.49Å; T596-F599 PolarHBondContact O-N 3.16Å; T596-A600 HydrophobicContact CG2-CB 4.14Å; T596-A600 PolarHBondContact N-O 3.36Å; T596-A600 WeakPolarHBondContact OG1-CB 3.49Å; T596-A600 PolarHBondContact OG1-N 2.82Å; T596-V602 HydrophobicContact CG2-CG2 3.52Å
597	S	84.3	Confident	91.3	Very high	35 Å²	35	36.1 Å²	36.1	25%	0.245	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.9	172.8	50.3	0	0	0	0	114.2	G580	G580-S597 VanDerWaalsContact O-CA 3.26Å; G580-S597 WeakPolarHBondContact O-CA 3.32Å; G580-S597 WeakPolarHBondContact O-CB 3.22Å; G580-S597 PolarHBondContact O-N 2.9Å
598	Q	83.9	Confident	90.4	Very high	139 Å²	139	37.4 Å²	37.4	65%	0.65	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	15.5	172.2	-56	76.1	23.2	0	0	112.6	T596 A600	T596-Q598 PolarHBondContact O-N 2.95Å; T596-Q598 VanDerWaalsContact O-N 3.14Å; T596-Q598 PolarHBondContact OG1-N 3.08Å; T596-Q598 PolarHBondContact OG1-OE1 3.49Å; Q598-A600 PolarHBondContact O-N 2.79Å
599	F	89.4	Confident	89.6	Confident	41 Å²	41	39.2 Å²	39.2	18%	0.18	20%	0.204	C	C	.	.			trans	64.5	22.2	178.1	-46.6	-69.3	0	0	0	115.1	Y536 I547 V558 I582 T596	Y536-F599 HydrophobicContact CD1-CE1 4.4Å; Y536-F599 AromaticContact CE1-CE1 3.8Å; Y536-F599 HydrophobicContact CE1-CE1 3.8Å; Y536-F599 HydrophobicContact CE1-CZ 4.11Å; I547-F599 HydrophobicContact CB-CE1 4.45Å; I547-F599 HydrophobicContact CB-CZ 4.02Å; I547-F599 HydrophobicContact CD1-CD1 4.09Å; I547-F599 HydrophobicContact CD1-CE1 3.36Å; I547-F599 HydrophobicContact CD1-CE2 4.35Å; I547-F599 HydrophobicContact CD1-CZ 3.52Å; I547-F599 HydrophobicContact CG1-CE1 3.45Å; I547-F599 VanDerWaalsContact CG1-CE1 3.45Å; I547-F599 HydrophobicContact CG1-CZ 3.5Å; I547-F599 HydrophobicContact CG2-CZ 4.05Å; V558-F599 HydrophobicContact CG1-CB 4.32Å; V558-F599 HydrophobicContact CG2-CB 3.88Å; V558-F599 HydrophobicContact CG2-CD1 3.75Å; V558-F599 HydrophobicContact CG2-CD2 4.08Å; V558-F599 HydrophobicContact CG2-CE1 4.32Å; V558-F599 HydrophobicContact CG2-CG 3.62Å; I582-F599 HydrophobicContact CD1-CD1 3.62Å; I582-F599 HydrophobicContact CD1-CE1 3.46Å; I582-F599 VanDerWaalsContact CD1-CE1 3.46Å; T596-F599 PolarHBondContact O-N 3.16Å
600	A	88.7	Confident	88.8	Confident	48 Å²	48	40.3 Å²	40.3	40%	0.397	21%	0.211	S	C	.	.			trans	-80.9	137.6	170.9	0	0	0	0	0	109.8	L595 T596 Q598 V602	L595-A600 CarbonylContact C-O 3.57Å; L595-A600 WeakPolarHBondContact CA-O 3.32Å; T596-A600 HydrophobicContact CG2-CB 4.14Å; T596-A600 PolarHBondContact N-O 3.36Å; T596-A600 WeakPolarHBondContact OG1-CB 3.49Å; T596-A600 PolarHBondContact OG1-N 2.82Å; Q598-A600 PolarHBondContact O-N 2.79Å; A600-V602 PolarHBondContact O-N 3.32Å
601	Y	91	Very high	87.9	Confident	54 Å²	54	44.9 Å²	44.9	21%	0.212	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	130.8	175.2	177	-103.6	0	0	0	111.7	E565 Q593 L595 T603 S604	E565-Y601 HydrophobicContact CB-CD1 4.15Å; E565-Y601 HydrophobicContact CB-CD2 4.15Å; E565-Y601 HydrophobicContact CB-CE1 4.46Å; E565-Y601 HydrophobicContact CB-CE2 4.46Å; E565-Y601 HydrophobicContact CB-CG 3.97Å; E565-Y601 VanDerWaalsContact CD-CD1 3.41Å; E565-Y601 VanDerWaalsContact CD-CE1 3.45Å; E565-Y601 HydrophobicContact CG-CD1 3.79Å; E565-Y601 HydrophobicContact CG-CD2 4.33Å; E565-Y601 HydrophobicContact CG-CE1 3.69Å; E565-Y601 HydrophobicContact CG-CE2 4.25Å; E565-Y601 HydrophobicContact CG-CG 4.11Å; E565-Y601 VanDerWaalsContact OE1-CE1 3.25Å; E565-Y601 WeakPolarHBondContact OE1-CE1 3.38Å; Q593-Y601 HydrophobicContact CG-CE2 4.47Å; L595-Y601 HydrophobicContact CD2-CD2 4.08Å; Y601-T603 VanDerWaalsContact CE2-C 3.43Å; Y601-T603 VanDerWaalsContact CE2-O 3.31Å; Y601-T603 WeakPolarHBondContact CE2-O 3.24Å; Y601-T603 VanDerWaalsContact CZ-CA 3.44Å; Y601-T603 WeakPolarHBondContact OH-CA 3.5Å; Y601-S604 WeakPolarHBondContact CE2-OG 3.31Å; Y601-S604 PolarHBondContact OH-N 3.41Å; Y601-S604 VanDerWaalsContact OH-N 3.08Å; Y601-S604 PolarHBondContact OH-OG 3.01Å
602	V	89.7	Confident	87.1	Confident	16 Å²	16	51.1 Å²	51.1	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-59.3	175	-178.2	0	0	0	0	110.4	R359 I594 T596 A600	R359-V602 HydrophobicContact CG-CG1 3.91Å; I594-V602 HydrophobicContact CB-CB 4.46Å; I594-V602 HydrophobicContact CG2-CB 4.33Å; I594-V602 WeakPolarHBondContact O-CA 3.37Å; I594-V602 VanDerWaalsContact O-CB 3.31Å; I594-V602 WeakPolarHBondContact O-CB 3.42Å; I594-V602 PolarHBondContact O-N 3.37Å; T596-V602 HydrophobicContact CG2-CG2 3.52Å; A600-V602 PolarHBondContact O-N 3.32Å
603	T	92.4	Very high	86.2	Confident	30 Å²	30	52.6 Å²	52.6	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	177.5	-179.5	-164.8	0	0	0	0	111.2	Y358 I594 Y601	Y358-T603 WeakPolarHBondContact O-CG2 3.4Å; I594-T603 HydrophobicContact CB-CG2 4.32Å; I594-T603 HydrophobicContact CD1-CG2 3.88Å; I594-T603 HydrophobicContact CG1-CG2 4.37Å; I594-T603 PolarHBondContact N-O 2.69Å; I594-T603 PolarHBondContact O-N 3.44Å; Y601-T603 VanDerWaalsContact CE2-C 3.43Å; Y601-T603 VanDerWaalsContact CE2-O 3.31Å; Y601-T603 WeakPolarHBondContact CE2-O 3.24Å; Y601-T603 VanDerWaalsContact CZ-CA 3.44Å; Y601-T603 WeakPolarHBondContact OH-CA 3.5Å
604	S	92.7	Very high	85.5	Confident	13 Å²	13	60.2 Å²	60.2	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	168.9	-57.2	0	0	0	0	110.4	I592 Y601	I592-S604 CarbonylContact O-C 3.59Å; I592-S604 VanDerWaalsContact O-CA 3.28Å; I592-S604 WeakPolarHBondContact O-CA 3.35Å; Y601-S604 WeakPolarHBondContact CE2-OG 3.31Å; Y601-S604 PolarHBondContact OH-N 3.41Å; Y601-S604 VanDerWaalsContact OH-N 3.08Å; Y601-S604 PolarHBondContact OH-OG 3.01Å
605	I	91.9	Very high	84.8	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153.9	173.6	60.9	170.6	0	0	0	110.7	I361 R591 I592 I594 I631 F644	I361-I605 HydrophobicContact CB-CG2 4.41Å; I361-I605 HydrophobicContact CG2-CG2 3.66Å; R591-I605 WeakPolarHBondContact CA-O 3.29Å; R591-I605 WeakPolarHBondContact CB-O 3.3Å; I592-I605 HydrophobicContact CB-CD1 3.98Å; I592-I605 HydrophobicContact CB-CG1 3.59Å; I592-I605 HydrophobicContact CG1-CD1 4.1Å; I592-I605 HydrophobicContact CG1-CG1 4.04Å; I592-I605 HydrophobicContact CG2-CG1 4.48Å; I592-I605 PolarHBondContact N-O 3.33Å; I592-I605 PolarHBondContact O-N 3.13Å; I594-I605 HydrophobicContact CD1-CG2 4.2Å; I605-I631 HydrophobicContact CD1-CD1 4.15Å; I605-I631 HydrophobicContact CD1-CG2 4.11Å; I605-F644 HydrophobicContact CB-CD1 4.46Å; I605-F644 HydrophobicContact CB-CE1 4.4Å; I605-F644 HydrophobicContact CD1-CB 4.38Å; I605-F644 HydrophobicContact CD1-CD1 4.38Å; I605-F644 HydrophobicContact CD1-CD2 3.86Å; I605-F644 HydrophobicContact CD1-CE2 4.18Å; I605-F644 HydrophobicContact CD1-CG 3.96Å
606	G	85.1	Confident	84.4	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.021	34%	0.341	C	S	.	.			trans	88.2	-0.1	-179.2	0	0	0	0	0	116.5	G608	G606-G608 PolarHBondContact O-N 3.02Å; G606-G608 VanDerWaalsContact O-N 3.09Å
607	L	80.7	Confident	84.6	Confident	110 Å²	110	62 Å²	62	58%	0.576	33%	0.332	S	S	*	.			trans	-66.2	-8.5	179	-68.5	176	0	0	0	114.5	R591	R591-L607 HydrophobicContact CB-CD2 4.06Å; R591-L607 HydrophobicContact CB-CG 4.5Å
608	G	76.8	Confident	85	Confident	28 Å²	28	63.3 Å²	63.3	29%	0.289	34%	0.336	S	S	.	.			trans	-67.1	167.1	179.5	0	0	0	0	0	113.6	G606 L616	G606-G608 PolarHBondContact O-N 3.02Å; G606-G608 VanDerWaalsContact O-N 3.09Å; G608-L616 VanDerWaalsContact O-CB 3.29Å; G608-L616 WeakPolarHBondContact O-CB 3.19Å; G608-L616 PolarHBondContact O-N 3.32Å
609	R	80	Confident	85.6	Confident	193 Å²	193	58.9 Å²	58.9	73%	0.728	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-116.7	146	167.1	-70	-177.4	177.3	-121.7	5.8	109.9	G613 R614	R609-G613 PolarHBondContact NH1-O 3.29Å; R609-R614 CarbonylContact C-O 3.55Å; R609-R614 VanDerWaalsContact CA-O 3.28Å; R609-R614 WeakPolarHBondContact CA-O 3.27Å
610	T	77.5	Confident	85.9	Confident	47 Å²	47	57 Å²	57	29%	0.288	31%	0.31	S	S	.	.			trans	-65.3	166	167.7	61.4	0	0	0	0	110.7	Q612 G613 R614	T610-Q612 PolarHBondContact O-N 3.42Å; T610-Q612 VanDerWaalsContact O-N 3.11Å; T610-G613 WeakPolarHBondContact O-CA 3.42Å; T610-G613 PolarHBondContact O-N 3.44Å; T610-R614 PolarHBondContact N-O 2.99Å; T610-R614 WeakPolarHBondContact OG1-CB 3.47Å; T610-R614 PolarHBondContact OG1-N 3.03Å; T610-R614 VanDerWaalsContact OG1-N 3.17Å; T610-R614 PolarHBondContact OG1-O 3.03Å
611	S	76	Confident	86.4	Confident	134 Å²	134	54.8 Å²	54.8	94%	0.937	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.5	174.7	51.7	0	0	0	0	113.7	G613	S611-G613 VanDerWaalsContact C-N 3.27Å; S611-G613 PolarHBondContact O-N 3.18Å
612	Q	78.1	Confident	86.7	Confident	146 Å²	146	52.5 Å²	52.5	68%	0.682	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	6.2	175.5	-62.1	179.9	-1.5	0	0	113.2	T610 R614	T610-Q612 PolarHBondContact O-N 3.42Å; T610-Q612 VanDerWaalsContact O-N 3.11Å; Q612-R614 PolarHBondContact O-N 2.84Å
613	G	78.4	Confident	87.2	Confident	31 Å²	31	51.8 Å²	51.8	32%	0.32	28%	0.279	S	S	.	.	S	Bend	trans	75.4	2.9	-179.2	0	0	0	0	0	114.9	R609 T610 S611	R609-G613 PolarHBondContact NH1-O 3.29Å; T610-G613 WeakPolarHBondContact O-CA 3.42Å; T610-G613 PolarHBondContact O-N 3.44Å; S611-G613 VanDerWaalsContact C-N 3.27Å; S611-G613 PolarHBondContact O-N 3.18Å
614	R	80.7	Confident	87.4	Confident	161 Å²	161	50.5 Å²	50.5	61%	0.608	27%	0.271	S	S	*	.			trans	-75	149.5	173.5	-59.7	-176.7	-178.4	-172.2	1.1	110.5	R609 T610 Q612	R609-R614 CarbonylContact C-O 3.55Å; R609-R614 VanDerWaalsContact CA-O 3.28Å; R609-R614 WeakPolarHBondContact CA-O 3.27Å; T610-R614 PolarHBondContact N-O 2.99Å; T610-R614 WeakPolarHBondContact OG1-CB 3.47Å; T610-R614 PolarHBondContact OG1-N 3.03Å; T610-R614 VanDerWaalsContact OG1-N 3.17Å; T610-R614 PolarHBondContact OG1-O 3.03Å; Q612-R614 PolarHBondContact O-N 2.84Å
615	P	80.5	Confident	87.6	Confident	53 Å²	53	50.7 Å²	50.7	34%	0.344	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-48.5	143.3	170.2	-27.8	36.8	0	0	0	111.9	N590 M617	N590-P615 HydrophobicContact CB-CB 4.4Å; P615-M617 WeakPolarHBondContact CB-O 3.49Å; P615-M617 PolarHBondContact O-N 2.82Å
616	L	86.6	Confident	87.6	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.099	27%	0.272	C	S	.	.	S	Bend	trans	-63.5	-34.8	177.6	-172.3	69.9	0	0	0	111.8	G363 Y365 G608 R640	G363-L616 WeakPolarHBondContact O-CD2 3.25Å; Y365-L616 HydrophobicContact CD1-CD1 4.08Å; Y365-L616 HydrophobicContact CD1-CD2 4.2Å; Y365-L616 HydrophobicContact CD1-CG 4.15Å; Y365-L616 HydrophobicContact CE1-CD1 3.68Å; Y365-L616 HydrophobicContact CE1-CG 4.14Å; G608-L616 VanDerWaalsContact O-CB 3.29Å; G608-L616 WeakPolarHBondContact O-CB 3.19Å; G608-L616 PolarHBondContact O-N 3.32Å; L616-R640 PolarHBondContact O-NH2 2.9Å
617	M	91.3	Very high	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-122.7	146.3	172	-51.3	-161	-67.4	0	0	109.3	N590 I592 P615 P620 V633 L642 F644	N590-M617 WeakPolarHBondContact CB-O 3.38Å; I592-M617 HydrophobicContact CD1-CE 4.48Å; I592-M617 HydrophobicContact CG1-CE 3.99Å; P615-M617 WeakPolarHBondContact CB-O 3.49Å; P615-M617 PolarHBondContact O-N 2.82Å; M617-P620 HydrophobicContact CE-CB 4.46Å; M617-P620 HydrophobicContact CE-CG 4.3Å; M617-V633 HydrophobicContact CE-CG1 4.48Å; M617-V633 HydrophobicContact SD-CB 4.37Å; M617-V633 HydrophobicContact SD-CG1 3.82Å; M617-L642 HydrophobicContact CB-CD1 4.47Å; M617-L642 HydrophobicContact CG-CD1 3.49Å; M617-L642 VanDerWaalsContact CG-CD1 3.49Å; M617-L642 HydrophobicContact SD-CD1 3.72Å; M617-F644 HydrophobicContact SD-CE2 3.93Å; M617-F644 HydrophobicContact SD-CZ 3.9Å
618	D	93.7	Very high	87.3	Confident	62 Å²	62	53.5 Å²	53.5	33%	0.332	30%	0.296	S	S	.	.	S	Bend	trans	-122.3	112.5	174.9	-178.6	10.2	0	0	0	110.1	D635 G637	D618-D635 PolarHBondContact N-OD1 2.88Å; D618-G637 WeakPolarHBondContact O-CA 3.49Å; D618-G637 PolarHBondContact O-N 2.88Å
619	T	95.7	Very high	87.7	Confident	46 Å²	46	52.9 Å²	52.9	28%	0.282	29%	0.29	S	S	.	.	S	Bend	trans	54.9	57	175.9	-46.7	0	0	0	0	112.9	S587 N590 T621 F636	S587-T619 WeakPolarHBondContact O-CA 3.25Å; N590-T619 PolarHBondContact OD1-N 3.18Å; T619-T621 PolarHBondContact O-N 3.26Å; T619-T621 VanDerWaalsContact O-N 3.15Å; T619-F636 VanDerWaalsContact O-CB 3.24Å; T619-F636 WeakPolarHBondContact O-CB 3.4Å
620	P	97.4	Very high	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.			trans	-56.8	124.8	-179.5	25	-34.1	0	0	0	110.3	S587 I592 M617 V633 V634	S587-P620 WeakPolarHBondContact CB-O 3.32Å; S587-P620 PolarHBondContact OG-O 3.33Å; I592-P620 HydrophobicContact CD1-CB 3.89Å; I592-P620 HydrophobicContact CD1-CG 4.21Å; M617-P620 HydrophobicContact CE-CB 4.46Å; M617-P620 HydrophobicContact CE-CG 4.3Å; P620-V633 HydrophobicContact CB-CG1 3.77Å; P620-V634 VanDerWaalsContact CA-O 3.25Å; P620-V634 WeakPolarHBondContact CA-O 3.24Å
621	T	98.1	Very high	89	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	25%	0.251	C	S	.	.			trans	-97.1	-32.7	-173.2	42.9	0	0	0	0	113.7	W383 Q572 G573 T619 V634 F636	W383-T621 PolarHBondContact O-OG1 3.19Å; Q572-T621 WeakPolarHBondContact CB-O 3.38Å; G573-T621 WeakPolarHBondContact CA-O 3.42Å; G573-T621 PolarHBondContact N-O 2.81Å; T619-T621 PolarHBondContact O-N 3.26Å; T619-T621 VanDerWaalsContact O-N 3.15Å; T621-V634 PolarHBondContact N-O 3.49Å; T621-V634 VanDerWaalsContact OG1-CG1 3.25Å; T621-V634 WeakPolarHBondContact OG1-CG1 3.28Å; T621-F636 HydrophobicContact CG2-CB 3.52Å; T621-F636 HydrophobicContact CG2-CD2 3.6Å; T621-F636 HydrophobicContact CG2-CE2 4.47Å; T621-F636 HydrophobicContact CG2-CG 3.69Å
622	D	98.6	Very high	90.1	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.032	21%	0.207	C	C	.	.			trans	-153.4	161.6	-178.4	-160.4	17.8	0	0	0	112	W383 G384 I385 G573 V634	W383-D622 WeakPolarHBondContact O-CB 3.39Å; G384-D622 WeakPolarHBondContact CA-OD2 3.35Å; I385-D622 HydrophobicContact CG2-CB 4.11Å; I385-D622 PolarHBondContact N-OD2 3.4Å; G573-D622 WeakPolarHBondContact CA-OD1 3.45Å; D622-V634 HydrophobicContact CB-CB 4.47Å; D622-V634 HydrophobicContact CB-CG2 4.09Å; D622-V634 PolarHBondContact O-N 3.3Å
623	V	98.5	Very high	91	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.8	-176.8	58.1	0	0	0	0	109	D575 F583 I592 I631 F632 V633	D575-V623 HydrophobicContact CB-CG1 4.28Å; D575-V623 WeakPolarHBondContact CB-O 3.49Å; F583-V623 HydrophobicContact CB-CG1 3.92Å; F583-V623 HydrophobicContact CB-CG2 4.12Å; I592-V623 HydrophobicContact CD1-CB 4.34Å; I592-V623 HydrophobicContact CG2-CG2 4.41Å; V623-I631 HydrophobicContact CG2-CG2 3.57Å; V623-F632 CarbonylContact C-O 3.57Å; V623-F632 VanDerWaalsContact CA-O 3.25Å; V623-F632 WeakPolarHBondContact CA-O 3.41Å; V623-V633 HydrophobicContact CG2-CG2 4.11Å
624	C	98.1	Very high	92	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.8	164.9	74.6	0	0	0	0	111.2	I385 D575 F632	I385-C624 HydrophobicContact CG2-CB 4.11Å; D575-C624 VanDerWaalsContact OD2-CA 3.28Å; D575-C624 WeakPolarHBondContact OD2-CA 3.44Å; C624-F632 PolarHBondContact N-O 2.87Å; C624-F632 PolarHBondContact O-N 3.2Å
625	V	95.2	Very high	92.7	Very high	17 Å²	17	21.2 Å²	21.2	10%	0.103	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.6	-179.4	-172.9	0	0	0	0	110.3	D575 D577 F583 K630 I631	D575-V625 PolarHBondContact OD2-N 2.91Å; D577-V625 HydrophobicContact CB-CB 4.37Å; D577-V625 HydrophobicContact CB-CG1 4.1Å; F583-V625 HydrophobicContact CD1-CG2 3.97Å; F583-V625 HydrophobicContact CD2-CG2 3.59Å; F583-V625 HydrophobicContact CE1-CG2 4.03Å; F583-V625 HydrophobicContact CE2-CG2 3.68Å; F583-V625 HydrophobicContact CG-CG2 3.76Å; F583-V625 HydrophobicContact CZ-CG2 3.9Å; V625-K630 WeakPolarHBondContact CA-O 3.48Å; V625-I631 HydrophobicContact CG1-CG1 4.48Å; V625-I631 HydrophobicContact CG2-CG1 4.23Å; V625-I631 HydrophobicContact CG2-CG2 4.34Å
626	T	91.8	Very high	93.5	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.025	12%	0.123	C	C	.	.			trans	-79.4	166.2	-179.4	59.4	0	0	0	0	112.3	R356 C387 I393 D628 G629 K630 F632	R356-T626 PolarHBondContact NH2-O 3.28Å; R356-T626 VanDerWaalsContact NH2-O 3.08Å; C387-T626 HydrophobicContact CB-CG2 4.07Å; I393-T626 HydrophobicContact CD1-CG2 4.13Å; T626-D628 WeakPolarHBondContact CB-OD1 3.46Å; T626-D628 PolarHBondContact O-N 3.01Å; T626-D628 PolarHBondContact OG1-OD1 2.99Å; T626-G629 WeakPolarHBondContact O-CA 3.41Å; T626-G629 PolarHBondContact O-N 3.3Å; T626-G629 PolarHBondContact OG1-N 3.23Å; T626-K630 HydrophobicContact CG2-CB 4.5Å; T626-K630 PolarHBondContact N-O 3.2Å; T626-K630 WeakPolarHBondContact OG1-CB 3.47Å; T626-K630 PolarHBondContact OG1-N 2.87Å; T626-K630 PolarHBondContact OG1-O 3.32Å; T626-F632 HydrophobicContact CG2-CD2 3.87Å; T626-F632 HydrophobicContact CG2-CE2 3.56Å
627	A	80.6	Confident	93.9	Very high	69 Å²	69	21.4 Å²	21.4	57%	0.57	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.5	179.3	0	0	0	0	0	113.8	R356	R356-A627 PolarHBondContact NH2-O 3.4Å
628	D	79.9	Confident	94.1	Very high	100 Å²	100	24.4 Å²	24.4	54%	0.535	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.5	171.8	64	-28.1	0	0	0	113.4	T626 K630	T626-D628 WeakPolarHBondContact CB-OD1 3.46Å; T626-D628 PolarHBondContact O-N 3.01Å; T626-D628 PolarHBondContact OG1-OD1 2.99Å; D628-K630 WeakPolarHBondContact OD2-CE 3.45Å
629	G	84.3	Confident	94.2	Very high	15 Å²	15	22 Å²	22	16%	0.155	14%	0.136	C	C	.	.			trans	98.7	11.8	170.7	0	0	0	0	0	115.8	R356 T626	R356-G629 VanDerWaalsContact CZ-CA 3.42Å; T626-G629 WeakPolarHBondContact O-CA 3.41Å; T626-G629 PolarHBondContact O-N 3.3Å; T626-G629 PolarHBondContact OG1-N 3.23Å
630	K	91	Very high	94.3	Very high	48 Å²	48	21.8 Å²	21.8	21%	0.209	13%	0.13	C	C	.	.			trans	-67.5	139.2	167.4	-61.6	177.8	-177.9	175.5	0	109.4	C408 E409 V625 T626 D628 F632 V643	C408-K630 PolarHBondContact O-NZ 2.74Å; E409-K630 IonicContact OE1-NZ 2.82Å; V625-K630 WeakPolarHBondContact CA-O 3.48Å; T626-K630 HydrophobicContact CG2-CB 4.5Å; T626-K630 PolarHBondContact N-O 3.2Å; T626-K630 WeakPolarHBondContact OG1-CB 3.47Å; T626-K630 PolarHBondContact OG1-N 2.87Å; T626-K630 PolarHBondContact OG1-O 3.32Å; D628-K630 WeakPolarHBondContact OD2-CE 3.45Å; K630-F632 HydrophobicContact CB-CD2 4.34Å; K630-F632 HydrophobicContact CB-CE2 3.76Å; K630-F632 HydrophobicContact CD-CE2 4.27Å; K630-F632 HydrophobicContact CD-CZ 4.46Å; K630-V643 HydrophobicContact CB-CG1 4.16Å; K630-V643 HydrophobicContact CD-CG1 4.43Å
631	I	95.1	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.5	-179.8	-52.7	165.6	0	0	0	108.5	Y358 I361 F583 I594 I605 V623 V625 V633 V643 F644	Y358-I631 HydrophobicContact CD1-CD1 4.25Å; Y358-I631 HydrophobicContact CE1-CD1 4.24Å; I361-I631 HydrophobicContact CD1-CD1 3.37Å; I361-I631 HydrophobicContact CD1-CG1 4.41Å; F583-I631 HydrophobicContact CD1-CD1 4.14Å; F583-I631 HydrophobicContact CD1-CG1 4.46Å; F583-I631 HydrophobicContact CD1-CG2 4.35Å; F583-I631 HydrophobicContact CE1-CD1 3.51Å; F583-I631 HydrophobicContact CE1-CG1 3.94Å; F583-I631 HydrophobicContact CZ-CD1 4.44Å; I594-I631 HydrophobicContact CD1-CD1 4.21Å; I605-I631 HydrophobicContact CD1-CD1 4.15Å; I605-I631 HydrophobicContact CD1-CG2 4.11Å; V623-I631 HydrophobicContact CG2-CG2 3.57Å; V625-I631 HydrophobicContact CG1-CG1 4.48Å; V625-I631 HydrophobicContact CG2-CG1 4.23Å; V625-I631 HydrophobicContact CG2-CG2 4.34Å; I631-V633 HydrophobicContact CG2-CG2 4.05Å; I631-V643 CarbonylContact O-C 3.46Å; I631-V643 VanDerWaalsContact O-CA 3.3Å; I631-V643 WeakPolarHBondContact O-CA 3.26Å; I631-F644 HydrophobicContact CB-CB 4.23Å; I631-F644 PolarHBondContact N-O 3.31Å; I631-F644 PolarHBondContact O-N 3.26Å
632	F	97.8	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.2	175.5	-70	-105.1	0	0	0	109.6	F369 I385 I393 C408 V623 C624 T626 K630 I641 L642 V643	F369-F632 HydrophobicContact CE1-CD1 4.01Å; F369-F632 AromaticContact CE1-CE1 3.93Å; F369-F632 HydrophobicContact CE1-CE1 3.93Å; F369-F632 HydrophobicContact CZ-CD1 4.28Å; F369-F632 HydrophobicContact CZ-CE1 4.31Å; I385-F632 HydrophobicContact CD1-CB 3.78Å; I393-F632 HydrophobicContact CD1-CD1 4.17Å; I393-F632 HydrophobicContact CD1-CD2 3.97Å; I393-F632 HydrophobicContact CD1-CE1 3.98Å; I393-F632 HydrophobicContact CD1-CE2 3.77Å; I393-F632 HydrophobicContact CD1-CG 4.18Å; I393-F632 HydrophobicContact CD1-CZ 3.78Å; I393-F632 HydrophobicContact CG1-CD1 4.04Å; I393-F632 HydrophobicContact CG1-CE1 3.67Å; I393-F632 HydrophobicContact CG1-CE2 4.35Å; I393-F632 HydrophobicContact CG1-CZ 3.84Å; I393-F632 HydrophobicContact CG2-CD1 4.08Å; I393-F632 HydrophobicContact CG2-CE1 4.48Å; C408-F632 HydrophobicContact CB-CZ 4.4Å; V623-F632 CarbonylContact C-O 3.57Å; V623-F632 VanDerWaalsContact CA-O 3.25Å; V623-F632 WeakPolarHBondContact CA-O 3.41Å; C624-F632 PolarHBondContact N-O 2.87Å; C624-F632 PolarHBondContact O-N 3.2Å; T626-F632 HydrophobicContact CG2-CD2 3.87Å; T626-F632 HydrophobicContact CG2-CE2 3.56Å; K630-F632 HydrophobicContact CB-CD2 4.34Å; K630-F632 HydrophobicContact CB-CE2 3.76Å; K630-F632 HydrophobicContact CD-CE2 4.27Å; K630-F632 HydrophobicContact CD-CZ 4.46Å; F632-I641 HydrophobicContact CB-CG2 4.34Å; F632-I641 HydrophobicContact CD1-CG2 4Å; F632-L642 CarbonylContact C-O 3.5Å; F632-L642 WeakPolarHBondContact CA-O 3.48Å; F632-V643 HydrophobicContact CD1-CG1 4.44Å; F632-V643 HydrophobicContact CD1-CG2 3.56Å; F632-V643 HydrophobicContact CD2-CG1 4.38Å; F632-V643 HydrophobicContact CE1-CB 4.37Å; F632-V643 HydrophobicContact CE1-CG1 4.09Å; F632-V643 HydrophobicContact CE1-CG2 3.37Å; F632-V643 HydrophobicContact CE2-CG1 4.02Å; F632-V643 HydrophobicContact CG-CG2 4.32Å; F632-V643 HydrophobicContact CZ-CG1 3.86Å; F632-V643 HydrophobicContact CZ-CG2 4Å
633	V	98	Very high	94.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.2	-177.4	180	0	0	0	0	110.3	I592 M617 P620 V623 I631 D635 I641 L642 F644	I592-V633 HydrophobicContact CD1-CG1 3.84Å; I592-V633 HydrophobicContact CD1-CG2 4.21Å; I592-V633 HydrophobicContact CG1-CG1 4.12Å; I592-V633 HydrophobicContact CG1-CG2 3.74Å; M617-V633 HydrophobicContact CE-CG1 4.48Å; M617-V633 HydrophobicContact SD-CB 4.37Å; M617-V633 HydrophobicContact SD-CG1 3.82Å; P620-V633 HydrophobicContact CB-CG1 3.77Å; V623-V633 HydrophobicContact CG2-CG2 4.11Å; I631-V633 HydrophobicContact CG2-CG2 4.05Å; V633-D635 PolarHBondContact O-N 3.27Å; V633-I641 WeakPolarHBondContact O-CA 3.5Å; V633-L642 HydrophobicContact CB-CB 4.48Å; V633-L642 PolarHBondContact N-O 2.93Å; V633-L642 PolarHBondContact O-N 3.46Å; V633-F644 HydrophobicContact CB-CE2 4.48Å; V633-F644 HydrophobicContact CG2-CD2 4.16Å; V633-F644 HydrophobicContact CG2-CE2 4.06Å
634	V	98.5	Very high	93.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.9	172	-174.2	0	0	0	0	109.3	P382 W383 I385 P620 T621 D622 F636 I641	P382-V634 HydrophobicContact CB-CG1 3.9Å; P382-V634 HydrophobicContact CG-CG1 3.67Å; W383-V634 WeakPolarHBondContact O-CG2 3.27Å; I385-V634 HydrophobicContact CB-CG2 3.55Å; I385-V634 HydrophobicContact CD1-CG2 4.19Å; I385-V634 HydrophobicContact CG1-CG2 4.47Å; I385-V634 HydrophobicContact CG2-CG2 3.56Å; P620-V634 VanDerWaalsContact CA-O 3.25Å; P620-V634 WeakPolarHBondContact CA-O 3.24Å; T621-V634 PolarHBondContact N-O 3.49Å; T621-V634 VanDerWaalsContact OG1-CG1 3.25Å; T621-V634 WeakPolarHBondContact OG1-CG1 3.28Å; D622-V634 HydrophobicContact CB-CB 4.47Å; D622-V634 HydrophobicContact CB-CG2 4.09Å; D622-V634 PolarHBondContact O-N 3.3Å; V634-F636 VanDerWaalsContact C-N 3.32Å; V634-F636 PolarHBondContact O-N 3.3Å; V634-F636 VanDerWaalsContact O-N 3.1Å; V634-I641 HydrophobicContact CB-CD1 4.2Å; V634-I641 HydrophobicContact CG1-CD1 4.18Å; V634-I641 HydrophobicContact CG2-CD1 3.84Å
635	D	96.8	Very high	93.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	75.3	176.2	-174.9	13.1	0	0	0	109.4	D618 V633 G637 N638 N639 R640 L642	D618-D635 PolarHBondContact N-OD1 2.88Å; V633-D635 PolarHBondContact O-N 3.27Å; D635-G637 VanDerWaalsContact C-N 3.34Å; D635-G637 PolarHBondContact O-N 3.45Å; D635-N638 VanDerWaalsContact CG-ND2 3.33Å; D635-N638 CarbonylContact O-C 3.59Å; D635-N638 PolarHBondContact O-N 3.02Å; D635-N638 VanDerWaalsContact O-N 3.07Å; D635-N638 PolarHBondContact OD1-ND2 2.88Å; D635-N638 VanDerWaalsContact OD1-ND2 3.12Å; D635-N638 WeakPolarHBondContact OD2-CB 3.49Å; D635-N638 PolarHBondContact OD2-ND2 3.13Å; D635-N639 PolarHBondContact O-N 3.2Å; D635-R640 HydrophobicContact CB-CG 3.88Å; D635-R640 WeakPolarHBondContact CB-O 3.49Å; D635-R640 PolarHBondContact N-O 3.11Å; D635-R640 PolarHBondContact O-N 3.05Å; D635-R640 IonicContact OD2-CZ 2.75Å; D635-R640 IonicContact OD2-NE 3.31Å; D635-R640 PolarHBondContact OD2-NE 3.36Å; D635-R640 IonicContact OD2-NH2 3.78Å; D635-R640 PolarHBondContact OD2-NH2 2.86Å; D635-L642 HydrophobicContact CB-CD1 4.08Å; D635-L642 HydrophobicContact CB-CG 4.08Å
636	F	97.2	Very high	93.4	Very high	46 Å²	46	23.6 Å²	23.6	20%	0.202	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-51.5	-47	-170.6	176	-88.6	0	0	0	113.5	R381 P382 T619 T621 V634 N638 N639	R381-F636 HydrophobicContact CB-CD2 4.36Å; R381-F636 HydrophobicContact CB-CE2 3.54Å; R381-F636 HydrophobicContact CB-CZ 3.77Å; R381-F636 HydrophobicContact CG-CE2 4.14Å; R381-F636 HydrophobicContact CG-CZ 3.85Å; P382-F636 VanDerWaalsContact O-CD2 3.23Å; P382-F636 WeakPolarHBondContact O-CD2 3.49Å; T619-F636 VanDerWaalsContact O-CB 3.24Å; T619-F636 WeakPolarHBondContact O-CB 3.4Å; T621-F636 HydrophobicContact CG2-CB 3.52Å; T621-F636 HydrophobicContact CG2-CD2 3.6Å; T621-F636 HydrophobicContact CG2-CE2 4.47Å; T621-F636 HydrophobicContact CG2-CG 3.69Å; V634-F636 VanDerWaalsContact C-N 3.32Å; V634-F636 PolarHBondContact O-N 3.3Å; V634-F636 VanDerWaalsContact O-N 3.1Å; F636-N638 PolarHBondContact O-N 3.06Å; F636-N639 PolarHBondContact O-N 3.39Å
637	G	94.5	Very high	93.5	Very high	29 Å²	29	24.7 Å²	24.7	30%	0.299	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-62.6	-28.4	-176.7	0	0	0	0	0	112.7	D618 D635	D618-G637 WeakPolarHBondContact O-CA 3.49Å; D618-G637 PolarHBondContact O-N 2.88Å; D635-G637 VanDerWaalsContact C-N 3.34Å; D635-G637 PolarHBondContact O-N 3.45Å
638	N	95.1	Very high	94.2	Very high	64 Å²	64	22.1 Å²	22.1	34%	0.342	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-103.6	2.2	179.7	-61.9	-56.3	0	0	0	113.9	D635 F636 R640	D635-N638 VanDerWaalsContact CG-ND2 3.33Å; D635-N638 CarbonylContact O-C 3.59Å; D635-N638 PolarHBondContact O-N 3.02Å; D635-N638 VanDerWaalsContact O-N 3.07Å; D635-N638 PolarHBondContact OD1-ND2 2.88Å; D635-N638 VanDerWaalsContact OD1-ND2 3.12Å; D635-N638 WeakPolarHBondContact OD2-CB 3.49Å; D635-N638 PolarHBondContact OD2-ND2 3.13Å; F636-N638 PolarHBondContact O-N 3.06Å; N638-R640 VanDerWaalsContact C-N 3.28Å; N638-R640 HydrophobicContact CB-CG 3.97Å; N638-R640 PolarHBondContact O-N 3.46Å
639	N	97.5	Very high	95.1	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.059	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	42	179.8	-54.4	-88.8	0	0	0	113.6	S371 Q372 R381 D635 F636	S371-N639 CarbonylContact C-O 3.42Å; Q372-N639 HydrophobicContact CB-CB 3.88Å; Q372-N639 HydrophobicContact CG-CB 4.29Å; Q372-N639 PolarHBondContact OE1-ND2 2.66Å; R381-N639 PolarHBondContact N-OD1 2.96Å; D635-N639 PolarHBondContact O-N 3.2Å; F636-N639 PolarHBondContact O-N 3.39Å
640	R	97.1	Very high	95.9	Very high	42 Å²	42	17.4 Å²	17.4	16%	0.158	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	168.2	-177.7	69.2	-178.5	176.9	162.5	2.1	111.4	Y365 F369 L616 D635 N638 L642	Y365-R640 PolarHBondContact OH-NH1 2.86Å; F369-R640 WeakPolarHBondContact O-CB 3.45Å; L616-R640 PolarHBondContact O-NH2 2.9Å; D635-R640 HydrophobicContact CB-CG 3.88Å; D635-R640 WeakPolarHBondContact CB-O 3.49Å; D635-R640 PolarHBondContact N-O 3.11Å; D635-R640 PolarHBondContact O-N 3.05Å; D635-R640 IonicContact OD2-CZ 2.75Å; D635-R640 IonicContact OD2-NE 3.31Å; D635-R640 PolarHBondContact OD2-NE 3.36Å; D635-R640 IonicContact OD2-NH2 3.78Å; D635-R640 PolarHBondContact OD2-NH2 2.86Å; N638-R640 VanDerWaalsContact C-N 3.28Å; N638-R640 HydrophobicContact CB-CG 3.97Å; N638-R640 PolarHBondContact O-N 3.46Å; R640-L642 HydrophobicContact CG-CD2 4.46Å
641	I	98.2	Very high	96.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.6	172	-51.9	-55.5	0	0	0	108.9	S368 F369 L379 I385 V395 F632 V633 V634	S368-I641 VanDerWaalsContact CA-O 3.29Å; S368-I641 WeakPolarHBondContact CA-O 3.43Å; F369-I641 HydrophobicContact CD1-CB 4.04Å; F369-I641 HydrophobicContact CD1-CG2 4.35Å; F369-I641 HydrophobicContact CD2-CB 4.42Å; F369-I641 HydrophobicContact CE1-CB 3.57Å; F369-I641 HydrophobicContact CE1-CG1 4.43Å; F369-I641 HydrophobicContact CE1-CG2 3.49Å; F369-I641 VanDerWaalsContact CE1-CG2 3.49Å; F369-I641 HydrophobicContact CE2-CB 3.97Å; F369-I641 HydrophobicContact CE2-CG1 3.98Å; F369-I641 HydrophobicContact CE2-CG2 4.45Å; F369-I641 HydrophobicContact CG-CB 4.46Å; F369-I641 HydrophobicContact CZ-CB 3.53Å; F369-I641 HydrophobicContact CZ-CG1 3.89Å; F369-I641 HydrophobicContact CZ-CG2 3.55Å; F369-I641 PolarHBondContact N-O 3.2Å; F369-I641 PolarHBondContact O-N 3.35Å; L379-I641 HydrophobicContact CD1-CD1 3.99Å; L379-I641 HydrophobicContact CD1-CG1 3.96Å; I385-I641 HydrophobicContact CD1-CD1 4.05Å; I385-I641 HydrophobicContact CD1-CG1 4.4Å; I385-I641 HydrophobicContact CD1-CG2 3.77Å; V395-I641 HydrophobicContact CG1-CD1 4.27Å; V395-I641 HydrophobicContact CG2-CD1 4.3Å; V395-I641 HydrophobicContact CG2-CG1 4.32Å; F632-I641 HydrophobicContact CB-CG2 4.34Å; F632-I641 HydrophobicContact CD1-CG2 4Å; V633-I641 WeakPolarHBondContact O-CA 3.5Å; V634-I641 HydrophobicContact CB-CD1 4.2Å; V634-I641 HydrophobicContact CG1-CD1 4.18Å; V634-I641 HydrophobicContact CG2-CD1 3.84Å
642	L	95.8	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.9	174.5	-60.6	179.8	0	0	0	109.9	Y365 S368 M617 F632 V633 D635 R640 F644	Y365-L642 HydrophobicContact CD1-CD1 4.2Å; Y365-L642 HydrophobicContact CD1-CD2 3.88Å; Y365-L642 HydrophobicContact CD2-CD2 4.18Å; Y365-L642 HydrophobicContact CE1-CD2 3.88Å; Y365-L642 HydrophobicContact CE2-CD2 4.19Å; Y365-L642 HydrophobicContact CG-CD2 4.03Å; S368-L642 VanDerWaalsContact CB-CD2 3.45Å; M617-L642 HydrophobicContact CB-CD1 4.47Å; M617-L642 HydrophobicContact CG-CD1 3.49Å; M617-L642 VanDerWaalsContact CG-CD1 3.49Å; M617-L642 HydrophobicContact SD-CD1 3.72Å; F632-L642 CarbonylContact C-O 3.5Å; F632-L642 WeakPolarHBondContact CA-O 3.48Å; V633-L642 HydrophobicContact CB-CB 4.48Å; V633-L642 PolarHBondContact N-O 2.93Å; V633-L642 PolarHBondContact O-N 3.46Å; D635-L642 HydrophobicContact CB-CD1 4.08Å; D635-L642 HydrophobicContact CB-CG 4.08Å; R640-L642 HydrophobicContact CG-CD2 4.46Å; L642-F644 HydrophobicContact CB-CE2 3.86Å; L642-F644 HydrophobicContact CD1-CE2 4.38Å; L642-F644 HydrophobicContact CD1-CZ 4.41Å
643	V	95.1	Very high	96.2	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	177.1	-168.2	0	0	0	0	109.4	Y365 M366 L367 F369 K630 I631 F632	Y365-V643 CarbonylContact C-O 3.51Å; Y365-V643 WeakPolarHBondContact CA-O 3.25Å; Y365-V643 WeakPolarHBondContact CB-O 3.34Å; M366-V643 PolarHBondContact N-O 2.88Å; L367-V643 HydrophobicContact CD1-CB 4.17Å; L367-V643 HydrophobicContact CD1-CG2 3.48Å; L367-V643 VanDerWaalsContact CD1-CG2 3.48Å; L367-V643 HydrophobicContact CG-CB 3.92Å; L367-V643 HydrophobicContact CG-CG2 3.79Å; L367-V643 PolarHBondContact O-N 3.07Å; F369-V643 HydrophobicContact CD1-CG2 4.28Å; F369-V643 HydrophobicContact CE1-CG2 3.91Å; K630-V643 HydrophobicContact CB-CG1 4.16Å; K630-V643 HydrophobicContact CD-CG1 4.43Å; I631-V643 CarbonylContact O-C 3.46Å; I631-V643 VanDerWaalsContact O-CA 3.3Å; I631-V643 WeakPolarHBondContact O-CA 3.26Å; F632-V643 HydrophobicContact CD1-CG1 4.44Å; F632-V643 HydrophobicContact CD1-CG2 3.56Å; F632-V643 HydrophobicContact CD2-CG1 4.38Å; F632-V643 HydrophobicContact CE1-CB 4.37Å; F632-V643 HydrophobicContact CE1-CG1 4.09Å; F632-V643 HydrophobicContact CE1-CG2 3.37Å; F632-V643 HydrophobicContact CE2-CG1 4.02Å; F632-V643 HydrophobicContact CG-CG2 4.32Å; F632-V643 HydrophobicContact CZ-CG1 3.86Å; F632-V643 HydrophobicContact CZ-CG2 4Å
644	F	90.5	Very high	96	Very high	19 Å²	19	19.4 Å²	19.4	8%	0.083	11%	0.105	C	C	.	.			trans	-109.1	0	176.4	-62.1	-98.7	0	0	0	111.6	I361 I605 M617 I631 V633 L642	I361-F644 HydrophobicContact CG2-CB 4.12Å; I361-F644 HydrophobicContact CG2-CD1 4.3Å; I605-F644 HydrophobicContact CB-CD1 4.46Å; I605-F644 HydrophobicContact CB-CE1 4.4Å; I605-F644 HydrophobicContact CD1-CB 4.38Å; I605-F644 HydrophobicContact CD1-CD1 4.38Å; I605-F644 HydrophobicContact CD1-CD2 3.86Å; I605-F644 HydrophobicContact CD1-CE2 4.18Å; I605-F644 HydrophobicContact CD1-CG 3.96Å; M617-F644 HydrophobicContact SD-CE2 3.93Å; M617-F644 HydrophobicContact SD-CZ 3.9Å; I631-F644 HydrophobicContact CB-CB 4.23Å; I631-F644 PolarHBondContact N-O 3.31Å; I631-F644 PolarHBondContact O-N 3.26Å; V633-F644 HydrophobicContact CB-CE2 4.48Å; V633-F644 HydrophobicContact CG2-CD2 4.16Å; V633-F644 HydrophobicContact CG2-CE2 4.06Å; L642-F644 HydrophobicContact CB-CE2 3.86Å; L642-F644 HydrophobicContact CD1-CE2 4.38Å; L642-F644 HydrophobicContact CD1-CZ 4.41Å

Retrieved 644 of 644 residues in 178.5 ms (Link to these results)

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